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= 0.779 K(o=3.2,f=-7.1!) USER MOD Set 1.2: A 25 LYS NZ :NH3+ -157:sc= 2.43 (180deg=0.694) USER MOD Set 2.1: A 15 TYR OH : rot 180:sc= 0.796 USER MOD Set 2.2: A 16 LYS NZ :NH3+ -159:sc= 0.913 (180deg=0.00917) USER MOD Set 3.1: A 9 TYR OH : rot 180:sc= 0.16 USER MOD Set 3.2: A 60 LYS NZ :NH3+ -173:sc= 0.344 (180deg=0.318) USER MOD Set 3.3: A 66 TYR OH : rot -34:sc= 0.151 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.0547 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot -118:sc= 0.358 USER MOD Single : A 23 LYS NZ :NH3+ -153:sc= 2.3 (180deg=1.6) USER MOD Single : A 28 HIS : no HE2:sc= -0.146 K(o=-0.15,f=-0.9) USER MOD Single : A 33 CYS SG : rot 51:sc= 0.0541 USER MOD Single : A 37 CYS SG : rot 72:sc= 0.718 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -101:sc= 1.24 (180deg=-0.0112) USER MOD Single : A 58 HIS : no HE2:sc= -0.427 K(o=-0.43,f=-8.3!) USER MOD Single : A 59 SER OG : rot 109:sc= 1.83 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0248 USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 2.02 (180deg=1.95) USER MOD Single : A 75 LYS NZ :NH3+ -115:sc= 0.992 (180deg=0.207) USER MOD Single : A 78 THR OG1 : rot 74:sc= 1.08 USER MOD Single : A 81 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.15) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 87 CYS SG : rot -152:sc= 0.0391 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 3.787 1.165 -1.310 1.00 0.00 N ATOM 21 CA ALA A 2 4.329 2.419 -1.827 1.00 0.00 C ATOM 22 C ALA A 2 3.268 3.210 -2.630 1.00 0.00 C ATOM 23 O ALA A 2 2.154 2.729 -2.864 1.00 0.00 O ATOM 24 CB ALA A 2 5.554 2.079 -2.684 1.00 0.00 C ATOM 0 HA ALA A 2 4.623 3.068 -1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.983 2.997 -3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.297 1.569 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.254 1.429 -3.506 1.00 0.00 H new ATOM 30 N LEU A 3 3.623 4.418 -3.075 1.00 0.00 N ATOM 31 CA LEU A 3 2.876 5.178 -4.063 1.00 0.00 C ATOM 32 C LEU A 3 3.566 5.029 -5.427 1.00 0.00 C ATOM 33 O LEU A 3 4.757 4.738 -5.486 1.00 0.00 O ATOM 34 CB LEU A 3 2.858 6.659 -3.637 1.00 0.00 C ATOM 35 CG LEU A 3 1.492 7.364 -3.640 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.682 7.143 -4.913 1.00 0.00 C ATOM 37 CD2 LEU A 3 0.646 6.907 -2.455 1.00 0.00 C ATOM 0 H LEU A 3 4.459 4.901 -2.746 1.00 0.00 H new ATOM 0 HA LEU A 3 1.852 4.811 -4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.274 6.729 -2.632 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.527 7.211 -4.298 1.00 0.00 H new ATOM 0 HG LEU A 3 1.724 8.427 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.268 7.673 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.240 7.521 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.494 6.077 -5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.316 7.418 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.486 5.830 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.163 7.145 -1.525 1.00 0.00 H new ATOM 49 N ALA A 4 2.848 5.341 -6.502 1.00 0.00 N ATOM 50 CA ALA A 4 3.363 5.360 -7.872 1.00 0.00 C ATOM 51 C ALA A 4 3.059 6.673 -8.610 1.00 0.00 C ATOM 52 O ALA A 4 1.924 7.162 -8.596 1.00 0.00 O ATOM 53 CB ALA A 4 2.827 4.138 -8.625 1.00 0.00 C ATOM 0 H ALA A 4 1.862 5.596 -6.445 1.00 0.00 H new ATOM 0 HA ALA A 4 4.451 5.307 -7.829 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.206 4.145 -9.647 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.155 3.228 -8.122 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.738 4.170 -8.642 1.00 0.00 H new ATOM 59 N VAL A 5 4.073 7.224 -9.284 1.00 0.00 N ATOM 60 CA VAL A 5 4.043 8.517 -9.987 1.00 0.00 C ATOM 61 C VAL A 5 4.526 8.321 -11.418 1.00 0.00 C ATOM 62 O VAL A 5 5.389 7.496 -11.710 1.00 0.00 O ATOM 63 CB VAL A 5 4.883 9.605 -9.282 1.00 0.00 C ATOM 64 CG1 VAL A 5 4.712 11.023 -9.851 1.00 0.00 C ATOM 65 CG2 VAL A 5 4.654 9.717 -7.772 1.00 0.00 C ATOM 0 H VAL A 5 4.980 6.763 -9.360 1.00 0.00 H new ATOM 0 HA VAL A 5 3.012 8.871 -9.980 1.00 0.00 H new ATOM 0 HB VAL A 5 5.891 9.240 -9.482 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.340 11.717 -9.293 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.006 11.032 -10.901 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.669 11.327 -9.763 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.286 10.506 -7.366 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.608 9.955 -7.579 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.904 8.770 -7.295 1.00 0.00 H new ATOM 75 N ARG A 6 3.970 9.080 -12.346 1.00 0.00 N ATOM 76 CA ARG A 6 4.288 9.051 -13.780 1.00 0.00 C ATOM 77 C ARG A 6 4.478 10.472 -14.315 1.00 0.00 C ATOM 78 O ARG A 6 3.999 11.427 -13.702 1.00 0.00 O ATOM 79 CB ARG A 6 3.232 8.236 -14.563 1.00 0.00 C ATOM 80 CG ARG A 6 3.103 6.758 -14.124 1.00 0.00 C ATOM 81 CD ARG A 6 4.342 5.896 -14.432 1.00 0.00 C ATOM 82 NE ARG A 6 4.241 4.519 -13.879 1.00 0.00 N ATOM 83 CZ ARG A 6 4.781 4.050 -12.759 1.00 0.00 C ATOM 84 NH1 ARG A 6 5.403 4.799 -11.914 1.00 0.00 N ATOM 85 NH2 ARG A 6 4.750 2.793 -12.424 1.00 0.00 N ATOM 0 H ARG A 6 3.251 9.767 -12.120 1.00 0.00 H new ATOM 0 HA ARG A 6 5.237 8.535 -13.927 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.262 8.720 -14.451 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.482 8.266 -15.623 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.909 6.725 -13.052 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.237 6.318 -14.618 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.480 5.839 -15.512 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.228 6.382 -14.023 1.00 0.00 H new ATOM 0 HE ARG A 6 3.691 3.855 -14.425 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.497 5.799 -12.092 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.801 4.392 -11.068 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.295 2.114 -13.034 1.00 0.00 H new ATOM 0 HH22 ARG A 6 5.181 2.487 -11.552 1.00 0.00 H new ATOM 99 N VAL A 7 5.167 10.586 -15.450 1.00 0.00 N ATOM 100 CA VAL A 7 5.452 11.823 -16.189 1.00 0.00 C ATOM 101 C VAL A 7 5.458 11.499 -17.677 1.00 0.00 C ATOM 102 O VAL A 7 6.333 10.767 -18.123 1.00 0.00 O ATOM 103 CB VAL A 7 6.825 12.443 -15.840 1.00 0.00 C ATOM 104 CG1 VAL A 7 7.000 13.791 -16.556 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.013 12.708 -14.348 1.00 0.00 C ATOM 0 H VAL A 7 5.567 9.768 -15.909 1.00 0.00 H new ATOM 0 HA VAL A 7 4.682 12.544 -15.915 1.00 0.00 H new ATOM 0 HB VAL A 7 7.562 11.707 -16.163 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.971 14.215 -16.301 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.942 13.641 -17.634 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.211 14.475 -16.242 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.998 13.143 -14.177 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.246 13.400 -14.002 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.930 11.770 -13.799 1.00 0.00 H new ATOM 115 N VAL A 8 4.525 12.042 -18.448 1.00 0.00 N ATOM 116 CA VAL A 8 4.694 12.120 -19.916 1.00 0.00 C ATOM 117 C VAL A 8 5.455 13.389 -20.301 1.00 0.00 C ATOM 118 O VAL A 8 5.274 14.414 -19.650 1.00 0.00 O ATOM 119 CB VAL A 8 3.353 11.960 -20.651 1.00 0.00 C ATOM 120 CG1 VAL A 8 2.348 13.066 -20.358 1.00 0.00 C ATOM 121 CG2 VAL A 8 3.539 11.841 -22.166 1.00 0.00 C ATOM 0 H VAL A 8 3.650 12.434 -18.099 1.00 0.00 H new ATOM 0 HA VAL A 8 5.305 11.279 -20.244 1.00 0.00 H new ATOM 0 HB VAL A 8 2.941 11.031 -20.257 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.429 12.880 -20.914 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.128 13.085 -19.291 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.766 14.027 -20.659 1.00 0.00 H new ATOM 0 HG21 VAL A 8 2.566 11.730 -22.644 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.029 12.738 -22.544 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.155 10.970 -22.390 1.00 0.00 H new ATOM 131 N TYR A 9 6.341 13.353 -21.307 1.00 0.00 N ATOM 132 CA TYR A 9 6.861 14.582 -21.919 1.00 0.00 C ATOM 133 C TYR A 9 7.324 14.377 -23.375 1.00 0.00 C ATOM 134 O TYR A 9 7.336 13.270 -23.895 1.00 0.00 O ATOM 135 CB TYR A 9 7.965 15.203 -21.032 1.00 0.00 C ATOM 136 CG TYR A 9 8.467 16.574 -21.463 1.00 0.00 C ATOM 137 CD1 TYR A 9 7.545 17.592 -21.789 1.00 0.00 C ATOM 138 CD2 TYR A 9 9.847 16.838 -21.549 1.00 0.00 C ATOM 139 CE1 TYR A 9 7.992 18.870 -22.166 1.00 0.00 C ATOM 140 CE2 TYR A 9 10.303 18.114 -21.941 1.00 0.00 C ATOM 141 CZ TYR A 9 9.376 19.133 -22.244 1.00 0.00 C ATOM 142 OH TYR A 9 9.800 20.381 -22.579 1.00 0.00 O ATOM 0 H TYR A 9 6.710 12.492 -21.711 1.00 0.00 H new ATOM 0 HA TYR A 9 6.036 15.292 -21.976 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.586 15.279 -20.013 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.812 14.518 -21.006 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.485 17.387 -21.748 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.559 16.061 -21.314 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.279 19.648 -22.395 1.00 0.00 H new ATOM 0 HE2 TYR A 9 11.363 18.311 -22.009 1.00 0.00 H new ATOM 0 HH TYR A 9 10.780 20.402 -22.589 1.00 0.00 H new ATOM 152 N SER A 10 7.732 15.463 -24.026 1.00 0.00 N ATOM 153 CA SER A 10 8.382 15.526 -25.334 1.00 0.00 C ATOM 154 C SER A 10 9.900 15.388 -25.171 1.00 0.00 C ATOM 155 O SER A 10 10.559 16.290 -24.654 1.00 0.00 O ATOM 156 CB SER A 10 8.022 16.878 -25.946 1.00 0.00 C ATOM 157 OG SER A 10 8.376 16.964 -27.304 1.00 0.00 O ATOM 0 H SER A 10 7.608 16.392 -23.624 1.00 0.00 H new ATOM 0 HA SER A 10 8.048 14.715 -25.981 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.950 17.047 -25.842 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.525 17.670 -25.391 1.00 0.00 H new ATOM 0 HG SER A 10 8.125 17.845 -27.652 1.00 0.00 H new ATOM 163 N GLY A 11 10.471 14.251 -25.567 1.00 0.00 N ATOM 164 CA GLY A 11 11.878 13.878 -25.340 1.00 0.00 C ATOM 165 C GLY A 11 12.942 14.695 -26.098 1.00 0.00 C ATOM 166 O GLY A 11 14.087 14.258 -26.176 1.00 0.00 O ATOM 0 H GLY A 11 9.952 13.534 -26.074 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.083 13.959 -24.273 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.999 12.829 -25.609 1.00 0.00 H new ATOM 170 N ALA A 12 12.575 15.851 -26.660 1.00 0.00 N ATOM 171 CA ALA A 12 13.282 16.521 -27.757 1.00 0.00 C ATOM 172 C ALA A 12 14.734 16.947 -27.454 1.00 0.00 C ATOM 173 O ALA A 12 15.624 16.707 -28.264 1.00 0.00 O ATOM 174 CB ALA A 12 12.431 17.717 -28.201 1.00 0.00 C ATOM 0 H ALA A 12 11.749 16.364 -26.353 1.00 0.00 H new ATOM 0 HA ALA A 12 13.399 15.789 -28.556 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.932 18.237 -29.018 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.456 17.365 -28.539 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.299 18.401 -27.363 1.00 0.00 H new ATOM 180 N CYS A 13 14.980 17.618 -26.324 1.00 0.00 N ATOM 181 CA CYS A 13 16.300 18.120 -25.936 1.00 0.00 C ATOM 182 C CYS A 13 16.367 18.296 -24.412 1.00 0.00 C ATOM 183 O CYS A 13 15.350 18.573 -23.778 1.00 0.00 O ATOM 184 CB CYS A 13 16.547 19.447 -26.675 1.00 0.00 C ATOM 185 SG CYS A 13 18.199 20.108 -26.306 1.00 0.00 S ATOM 0 H CYS A 13 14.253 17.831 -25.641 1.00 0.00 H new ATOM 0 HA CYS A 13 17.080 17.411 -26.213 1.00 0.00 H new ATOM 0 HB2 CYS A 13 16.446 19.292 -27.749 1.00 0.00 H new ATOM 0 HB3 CYS A 13 15.789 20.174 -26.385 1.00 0.00 H new ATOM 0 HG CYS A 13 18.373 21.225 -26.948 1.00 0.00 H new ATOM 191 N GLY A 14 17.550 18.130 -23.809 1.00 0.00 N ATOM 192 CA GLY A 14 17.850 18.384 -22.386 1.00 0.00 C ATOM 193 C GLY A 14 17.038 17.612 -21.329 1.00 0.00 C ATOM 194 O GLY A 14 17.272 17.797 -20.134 1.00 0.00 O ATOM 0 H GLY A 14 18.367 17.799 -24.321 1.00 0.00 H new ATOM 0 HA2 GLY A 14 18.905 18.165 -22.223 1.00 0.00 H new ATOM 0 HA3 GLY A 14 17.713 19.449 -22.200 1.00 0.00 H new ATOM 198 N TYR A 15 16.082 16.762 -21.723 1.00 0.00 N ATOM 199 CA TYR A 15 15.020 16.326 -20.811 1.00 0.00 C ATOM 200 C TYR A 15 15.493 15.469 -19.636 1.00 0.00 C ATOM 201 O TYR A 15 14.973 15.629 -18.539 1.00 0.00 O ATOM 202 CB TYR A 15 13.876 15.636 -21.566 1.00 0.00 C ATOM 203 CG TYR A 15 13.993 14.141 -21.814 1.00 0.00 C ATOM 204 CD1 TYR A 15 13.446 13.233 -20.883 1.00 0.00 C ATOM 205 CD2 TYR A 15 14.551 13.661 -23.013 1.00 0.00 C ATOM 206 CE1 TYR A 15 13.410 11.855 -21.174 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.504 12.286 -23.313 1.00 0.00 C ATOM 208 CZ TYR A 15 13.909 11.385 -22.405 1.00 0.00 C ATOM 209 OH TYR A 15 13.801 10.067 -22.718 1.00 0.00 O ATOM 0 H TYR A 15 16.023 16.365 -22.661 1.00 0.00 H new ATOM 0 HA TYR A 15 14.647 17.248 -20.364 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.954 15.813 -21.012 1.00 0.00 H new ATOM 0 HB3 TYR A 15 13.767 16.129 -22.532 1.00 0.00 H new ATOM 0 HD1 TYR A 15 13.054 13.595 -19.944 1.00 0.00 H new ATOM 0 HD2 TYR A 15 15.016 14.348 -23.704 1.00 0.00 H new ATOM 0 HE1 TYR A 15 13.001 11.161 -20.455 1.00 0.00 H new ATOM 0 HE2 TYR A 15 14.924 11.921 -24.239 1.00 0.00 H new ATOM 0 HH TYR A 15 14.193 9.908 -23.602 1.00 0.00 H new ATOM 219 N LYS A 16 16.471 14.579 -19.843 1.00 0.00 N ATOM 220 CA LYS A 16 16.973 13.619 -18.837 1.00 0.00 C ATOM 221 C LYS A 16 17.272 14.250 -17.458 1.00 0.00 C ATOM 222 O LYS A 16 16.615 13.844 -16.501 1.00 0.00 O ATOM 223 CB LYS A 16 18.154 12.793 -19.389 1.00 0.00 C ATOM 224 CG LYS A 16 17.815 11.850 -20.550 1.00 0.00 C ATOM 225 CD LYS A 16 16.861 10.714 -20.145 1.00 0.00 C ATOM 226 CE LYS A 16 16.988 9.590 -21.177 1.00 0.00 C ATOM 227 NZ LYS A 16 15.823 8.668 -21.172 1.00 0.00 N ATOM 0 H LYS A 16 16.953 14.500 -20.739 1.00 0.00 H new ATOM 0 HA LYS A 16 16.153 12.927 -18.644 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.933 13.481 -19.718 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.573 12.202 -18.575 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.363 12.426 -21.358 1.00 0.00 H new ATOM 0 HG3 LYS A 16 18.737 11.420 -20.942 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.110 10.346 -19.150 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.834 11.077 -20.103 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.096 10.026 -22.170 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.896 9.021 -20.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.096 7.761 -21.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 15.512 8.507 -20.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.044 9.090 -21.717 1.00 0.00 H new ATOM 241 N PRO A 17 18.181 15.235 -17.302 1.00 0.00 N ATOM 242 CA PRO A 17 18.398 15.890 -16.008 1.00 0.00 C ATOM 243 C PRO A 17 17.188 16.707 -15.529 1.00 0.00 C ATOM 244 O PRO A 17 16.933 16.725 -14.329 1.00 0.00 O ATOM 245 CB PRO A 17 19.640 16.771 -16.192 1.00 0.00 C ATOM 246 CG PRO A 17 19.650 17.064 -17.692 1.00 0.00 C ATOM 247 CD PRO A 17 19.114 15.763 -18.287 1.00 0.00 C ATOM 0 HA PRO A 17 18.540 15.144 -15.226 1.00 0.00 H new ATOM 0 HB2 PRO A 17 19.573 17.687 -15.605 1.00 0.00 H new ATOM 0 HB3 PRO A 17 20.548 16.256 -15.877 1.00 0.00 H new ATOM 0 HG2 PRO A 17 19.018 17.916 -17.943 1.00 0.00 H new ATOM 0 HG3 PRO A 17 20.652 17.293 -18.054 1.00 0.00 H new ATOM 0 HD2 PRO A 17 18.617 15.944 -19.240 1.00 0.00 H new ATOM 0 HD3 PRO A 17 19.923 15.057 -18.478 1.00 0.00 H new ATOM 255 N LYS A 18 16.391 17.327 -16.417 1.00 0.00 N ATOM 256 CA LYS A 18 15.144 18.017 -16.013 1.00 0.00 C ATOM 257 C LYS A 18 14.127 17.045 -15.396 1.00 0.00 C ATOM 258 O LYS A 18 13.496 17.380 -14.398 1.00 0.00 O ATOM 259 CB LYS A 18 14.529 18.807 -17.191 1.00 0.00 C ATOM 260 CG LYS A 18 14.340 20.312 -16.903 1.00 0.00 C ATOM 261 CD LYS A 18 13.294 20.660 -15.825 1.00 0.00 C ATOM 262 CE LYS A 18 13.173 22.193 -15.703 1.00 0.00 C ATOM 263 NZ LYS A 18 12.237 22.624 -14.629 1.00 0.00 N ATOM 0 H LYS A 18 16.584 17.367 -17.418 1.00 0.00 H new ATOM 0 HA LYS A 18 15.411 18.736 -15.238 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.168 18.692 -18.066 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.562 18.371 -17.443 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.300 20.728 -16.599 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.057 20.808 -17.831 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.328 20.228 -16.087 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.586 20.230 -14.867 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.159 22.614 -15.507 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.835 22.601 -16.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.199 23.663 -14.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.287 22.249 -14.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.570 22.262 -13.713 1.00 0.00 H new ATOM 277 N TYR A 19 13.999 15.843 -15.963 1.00 0.00 N ATOM 278 CA TYR A 19 13.259 14.707 -15.410 1.00 0.00 C ATOM 279 C TYR A 19 13.820 14.308 -14.047 1.00 0.00 C ATOM 280 O TYR A 19 13.104 14.373 -13.053 1.00 0.00 O ATOM 281 CB TYR A 19 13.313 13.508 -16.380 1.00 0.00 C ATOM 282 CG TYR A 19 12.055 13.234 -17.176 1.00 0.00 C ATOM 283 CD1 TYR A 19 11.259 14.289 -17.664 1.00 0.00 C ATOM 284 CD2 TYR A 19 11.691 11.897 -17.430 1.00 0.00 C ATOM 285 CE1 TYR A 19 10.083 14.005 -18.384 1.00 0.00 C ATOM 286 CE2 TYR A 19 10.529 11.612 -18.167 1.00 0.00 C ATOM 287 CZ TYR A 19 9.721 12.664 -18.639 1.00 0.00 C ATOM 288 OH TYR A 19 8.595 12.359 -19.326 1.00 0.00 O ATOM 0 H TYR A 19 14.429 15.626 -16.862 1.00 0.00 H new ATOM 0 HA TYR A 19 12.219 15.008 -15.280 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.133 13.671 -17.080 1.00 0.00 H new ATOM 0 HB3 TYR A 19 13.557 12.614 -15.806 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.550 15.314 -17.486 1.00 0.00 H new ATOM 0 HD2 TYR A 19 12.305 11.090 -17.058 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.459 14.811 -18.741 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.256 10.587 -18.371 1.00 0.00 H new ATOM 0 HH TYR A 19 7.993 11.839 -18.753 1.00 0.00 H new ATOM 298 N LEU A 20 15.098 13.919 -13.993 1.00 0.00 N ATOM 299 CA LEU A 20 15.770 13.469 -12.778 1.00 0.00 C ATOM 300 C LEU A 20 15.670 14.490 -11.650 1.00 0.00 C ATOM 301 O LEU A 20 15.314 14.117 -10.555 1.00 0.00 O ATOM 302 CB LEU A 20 17.239 13.166 -13.070 1.00 0.00 C ATOM 303 CG LEU A 20 17.481 11.908 -13.929 1.00 0.00 C ATOM 304 CD1 LEU A 20 18.948 11.839 -14.355 1.00 0.00 C ATOM 305 CD2 LEU A 20 17.138 10.616 -13.184 1.00 0.00 C ATOM 0 H LEU A 20 15.704 13.909 -14.813 1.00 0.00 H new ATOM 0 HA LEU A 20 15.264 12.562 -12.448 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.679 14.025 -13.577 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.767 13.050 -12.123 1.00 0.00 H new ATOM 0 HG LEU A 20 16.826 11.992 -14.796 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.109 10.948 -14.961 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.200 12.725 -14.938 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.582 11.795 -13.470 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.326 9.761 -13.833 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.757 10.536 -12.290 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.086 10.629 -12.897 1.00 0.00 H new ATOM 317 N GLN A 21 15.907 15.774 -11.870 1.00 0.00 N ATOM 318 CA GLN A 21 15.912 16.776 -10.816 1.00 0.00 C ATOM 319 C GLN A 21 14.528 17.050 -10.202 1.00 0.00 C ATOM 320 O GLN A 21 14.464 17.581 -9.095 1.00 0.00 O ATOM 321 CB GLN A 21 16.552 18.046 -11.390 1.00 0.00 C ATOM 322 CG GLN A 21 18.090 17.966 -11.434 1.00 0.00 C ATOM 323 CD GLN A 21 18.669 17.751 -10.038 1.00 0.00 C ATOM 324 OE1 GLN A 21 18.494 18.560 -9.139 1.00 0.00 O ATOM 325 NE2 GLN A 21 19.272 16.619 -9.765 1.00 0.00 N ATOM 0 H GLN A 21 16.103 16.154 -12.796 1.00 0.00 H new ATOM 0 HA GLN A 21 16.494 16.396 -9.977 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.172 18.217 -12.397 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.253 18.903 -10.787 1.00 0.00 H new ATOM 0 HG2 GLN A 21 18.396 17.149 -12.088 1.00 0.00 H new ATOM 0 HG3 GLN A 21 18.493 18.884 -11.861 1.00 0.00 H new ATOM 0 HE21 GLN A 21 19.426 15.932 -10.503 1.00 0.00 H new ATOM 0 HE22 GLN A 21 19.587 16.425 -8.814 1.00 0.00 H new ATOM 334 N LEU A 22 13.439 16.647 -10.870 1.00 0.00 N ATOM 335 CA LEU A 22 12.138 16.425 -10.233 1.00 0.00 C ATOM 336 C LEU A 22 12.088 15.060 -9.524 1.00 0.00 C ATOM 337 O LEU A 22 11.671 14.978 -8.369 1.00 0.00 O ATOM 338 CB LEU A 22 11.035 16.535 -11.308 1.00 0.00 C ATOM 339 CG LEU A 22 9.599 16.367 -10.770 1.00 0.00 C ATOM 340 CD1 LEU A 22 9.194 17.547 -9.887 1.00 0.00 C ATOM 341 CD2 LEU A 22 8.609 16.285 -11.933 1.00 0.00 C ATOM 0 H LEU A 22 13.438 16.465 -11.874 1.00 0.00 H new ATOM 0 HA LEU A 22 11.977 17.184 -9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.116 17.507 -11.795 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.214 15.779 -12.073 1.00 0.00 H new ATOM 0 HG LEU A 22 9.578 15.450 -10.181 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.177 17.398 -9.524 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.875 17.618 -9.039 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.240 18.468 -10.467 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.598 16.166 -11.543 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.665 17.199 -12.524 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.857 15.431 -12.563 1.00 0.00 H new ATOM 353 N LYS A 23 12.489 13.989 -10.224 1.00 0.00 N ATOM 354 CA LYS A 23 12.370 12.587 -9.804 1.00 0.00 C ATOM 355 C LYS A 23 13.182 12.268 -8.547 1.00 0.00 C ATOM 356 O LYS A 23 12.616 11.890 -7.531 1.00 0.00 O ATOM 357 CB LYS A 23 12.813 11.682 -10.970 1.00 0.00 C ATOM 358 CG LYS A 23 11.690 10.811 -11.535 1.00 0.00 C ATOM 359 CD LYS A 23 12.158 9.433 -12.017 1.00 0.00 C ATOM 360 CE LYS A 23 12.710 8.723 -10.784 1.00 0.00 C ATOM 361 NZ LYS A 23 12.731 7.251 -10.862 1.00 0.00 N ATOM 0 H LYS A 23 12.925 14.082 -11.141 1.00 0.00 H new ATOM 0 HA LYS A 23 11.327 12.402 -9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.214 12.305 -11.769 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.624 11.038 -10.630 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.926 10.677 -10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.219 11.336 -12.366 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.333 8.871 -12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.923 9.528 -12.788 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.726 9.076 -10.606 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.115 9.016 -9.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.670 6.852 -9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.922 6.922 -11.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 13.616 6.940 -11.311 1.00 0.00 H new ATOM 375 N GLU A 24 14.496 12.451 -8.647 1.00 0.00 N ATOM 376 CA GLU A 24 15.536 12.336 -7.625 1.00 0.00 C ATOM 377 C GLU A 24 15.141 12.982 -6.302 1.00 0.00 C ATOM 378 O GLU A 24 15.404 12.413 -5.253 1.00 0.00 O ATOM 379 CB GLU A 24 16.764 13.063 -8.184 1.00 0.00 C ATOM 380 CG GLU A 24 18.032 13.042 -7.332 1.00 0.00 C ATOM 381 CD GLU A 24 18.951 14.121 -7.899 1.00 0.00 C ATOM 382 OE1 GLU A 24 19.450 13.929 -9.028 1.00 0.00 O ATOM 383 OE2 GLU A 24 19.030 15.222 -7.293 1.00 0.00 O ATOM 0 H GLU A 24 14.904 12.712 -9.545 1.00 0.00 H new ATOM 0 HA GLU A 24 15.718 11.282 -7.414 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.002 12.629 -9.155 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.491 14.104 -8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.800 13.240 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 24 18.511 12.064 -7.372 1.00 0.00 H new ATOM 390 N LYS A 25 14.519 14.167 -6.345 1.00 0.00 N ATOM 391 CA LYS A 25 14.024 14.865 -5.153 1.00 0.00 C ATOM 392 C LYS A 25 12.925 14.066 -4.464 1.00 0.00 C ATOM 393 O LYS A 25 13.056 13.686 -3.310 1.00 0.00 O ATOM 394 CB LYS A 25 13.573 16.286 -5.538 1.00 0.00 C ATOM 395 CG LYS A 25 14.350 17.356 -4.760 1.00 0.00 C ATOM 396 CD LYS A 25 15.874 17.349 -4.997 1.00 0.00 C ATOM 397 CE LYS A 25 16.222 17.517 -6.482 1.00 0.00 C ATOM 398 NZ LYS A 25 17.685 17.475 -6.714 1.00 0.00 N ATOM 0 H LYS A 25 14.344 14.671 -7.214 1.00 0.00 H new ATOM 0 HA LYS A 25 14.831 14.957 -4.426 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.717 16.437 -6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.506 16.395 -5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.959 18.337 -5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.161 17.220 -3.695 1.00 0.00 H new ATOM 0 HD2 LYS A 25 16.335 18.153 -4.423 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.295 16.413 -4.629 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.740 16.728 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.824 18.465 -6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.909 17.962 -7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.175 17.949 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.999 16.485 -6.771 1.00 0.00 H new ATOM 412 N LEU A 26 11.895 13.711 -5.216 1.00 0.00 N ATOM 413 CA LEU A 26 10.776 12.907 -4.746 1.00 0.00 C ATOM 414 C LEU A 26 11.237 11.558 -4.155 1.00 0.00 C ATOM 415 O LEU A 26 10.870 11.181 -3.048 1.00 0.00 O ATOM 416 CB LEU A 26 9.772 12.806 -5.915 1.00 0.00 C ATOM 417 CG LEU A 26 8.350 13.210 -5.521 1.00 0.00 C ATOM 418 CD1 LEU A 26 8.220 14.695 -5.158 1.00 0.00 C ATOM 419 CD2 LEU A 26 7.390 12.955 -6.687 1.00 0.00 C ATOM 0 H LEU A 26 11.811 13.981 -6.196 1.00 0.00 H new ATOM 0 HA LEU A 26 10.271 13.376 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.111 13.442 -6.733 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.762 11.783 -6.290 1.00 0.00 H new ATOM 0 HG LEU A 26 8.106 12.608 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.187 14.915 -4.888 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.871 14.922 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.509 15.305 -6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.380 13.246 -6.397 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.703 13.542 -7.551 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.403 11.896 -6.944 1.00 0.00 H new ATOM 431 N GLU A 27 12.116 10.856 -4.854 1.00 0.00 N ATOM 432 CA GLU A 27 12.829 9.662 -4.385 1.00 0.00 C ATOM 433 C GLU A 27 13.780 9.857 -3.190 1.00 0.00 C ATOM 434 O GLU A 27 13.885 8.955 -2.364 1.00 0.00 O ATOM 435 CB GLU A 27 13.584 9.079 -5.586 1.00 0.00 C ATOM 436 CG GLU A 27 12.792 7.910 -6.183 1.00 0.00 C ATOM 437 CD GLU A 27 13.111 7.621 -7.660 1.00 0.00 C ATOM 438 OE1 GLU A 27 13.982 8.277 -8.273 1.00 0.00 O ATOM 439 OE2 GLU A 27 12.425 6.763 -8.262 1.00 0.00 O ATOM 0 H GLU A 27 12.368 11.109 -5.809 1.00 0.00 H new ATOM 0 HA GLU A 27 12.073 8.984 -3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.735 9.851 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.572 8.739 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.993 7.013 -5.597 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.727 8.121 -6.088 1.00 0.00 H new ATOM 446 N HIS A 28 14.454 11.000 -3.057 1.00 0.00 N ATOM 447 CA HIS A 28 15.209 11.380 -1.856 1.00 0.00 C ATOM 448 C HIS A 28 14.280 11.610 -0.663 1.00 0.00 C ATOM 449 O HIS A 28 14.581 11.196 0.459 1.00 0.00 O ATOM 450 CB HIS A 28 16.024 12.654 -2.147 1.00 0.00 C ATOM 451 CG HIS A 28 16.753 13.277 -0.976 1.00 0.00 C ATOM 452 ND1 HIS A 28 17.055 12.686 0.232 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.166 14.580 -0.907 1.00 0.00 C ATOM 454 CE1 HIS A 28 17.665 13.606 0.998 1.00 0.00 C ATOM 455 NE2 HIS A 28 17.770 14.770 0.341 1.00 0.00 N ATOM 0 H HIS A 28 14.493 11.704 -3.794 1.00 0.00 H new ATOM 0 HA HIS A 28 15.882 10.563 -1.598 1.00 0.00 H new ATOM 0 HB2 HIS A 28 16.757 12.420 -2.919 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.349 13.401 -2.565 1.00 0.00 H new ATOM 0 HD1 HIS A 28 16.852 11.722 0.497 1.00 0.00 H new ATOM 0 HD2 HIS A 28 17.047 15.327 -1.677 1.00 0.00 H new ATOM 0 HE1 HIS A 28 18.021 13.432 2.003 1.00 0.00 H new ATOM 463 N GLU A 29 13.149 12.266 -0.909 1.00 0.00 N ATOM 464 CA GLU A 29 12.148 12.610 0.086 1.00 0.00 C ATOM 465 C GLU A 29 11.420 11.373 0.644 1.00 0.00 C ATOM 466 O GLU A 29 11.016 11.375 1.811 1.00 0.00 O ATOM 467 CB GLU A 29 11.120 13.546 -0.560 1.00 0.00 C ATOM 468 CG GLU A 29 11.272 15.033 -0.220 1.00 0.00 C ATOM 469 CD GLU A 29 12.082 15.811 -1.268 1.00 0.00 C ATOM 470 OE1 GLU A 29 11.481 16.124 -2.324 1.00 0.00 O ATOM 471 OE2 GLU A 29 13.223 16.205 -0.944 1.00 0.00 O ATOM 0 H GLU A 29 12.899 12.583 -1.846 1.00 0.00 H new ATOM 0 HA GLU A 29 12.658 13.092 0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.180 13.431 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.123 13.223 -0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.283 15.481 -0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.758 15.130 0.751 1.00 0.00 H new ATOM 478 N PHE A 30 11.222 10.346 -0.195 1.00 0.00 N ATOM 479 CA PHE A 30 10.402 9.158 0.069 1.00 0.00 C ATOM 480 C PHE A 30 11.036 7.809 -0.381 1.00 0.00 C ATOM 481 O PHE A 30 10.361 7.002 -1.036 1.00 0.00 O ATOM 482 CB PHE A 30 9.046 9.382 -0.619 1.00 0.00 C ATOM 483 CG PHE A 30 8.409 10.746 -0.422 1.00 0.00 C ATOM 484 CD1 PHE A 30 8.017 11.161 0.859 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.247 11.620 -1.513 1.00 0.00 C ATOM 486 CE1 PHE A 30 7.479 12.442 1.040 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.723 12.910 -1.330 1.00 0.00 C ATOM 488 CZ PHE A 30 7.324 13.318 -0.051 1.00 0.00 C ATOM 0 H PHE A 30 11.651 10.321 -1.120 1.00 0.00 H new ATOM 0 HA PHE A 30 10.303 9.053 1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.173 9.215 -1.689 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.350 8.624 -0.259 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.129 10.496 1.702 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.529 11.295 -2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.180 12.761 2.028 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.628 13.583 -2.170 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.899 14.300 0.098 1.00 0.00 H new ATOM 498 N PRO A 31 12.305 7.498 -0.048 1.00 0.00 N ATOM 499 CA PRO A 31 13.045 6.400 -0.670 1.00 0.00 C ATOM 500 C PRO A 31 12.411 5.038 -0.400 1.00 0.00 C ATOM 501 O PRO A 31 12.136 4.661 0.737 1.00 0.00 O ATOM 502 CB PRO A 31 14.473 6.476 -0.141 1.00 0.00 C ATOM 503 CG PRO A 31 14.327 7.246 1.171 1.00 0.00 C ATOM 504 CD PRO A 31 13.166 8.198 0.886 1.00 0.00 C ATOM 0 HA PRO A 31 13.027 6.505 -1.755 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.894 5.484 0.021 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.132 6.993 -0.838 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.108 6.581 2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.239 7.787 1.425 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.630 8.447 1.802 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.524 9.136 0.461 1.00 0.00 H new ATOM 512 N GLY A 32 12.122 4.317 -1.481 1.00 0.00 N ATOM 513 CA GLY A 32 11.413 3.030 -1.509 1.00 0.00 C ATOM 514 C GLY A 32 9.983 3.012 -0.958 1.00 0.00 C ATOM 515 O GLY A 32 9.284 2.008 -1.102 1.00 0.00 O ATOM 0 H GLY A 32 12.389 4.628 -2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.383 2.682 -2.542 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.002 2.306 -0.946 1.00 0.00 H new ATOM 519 N CYS A 33 9.507 4.102 -0.356 1.00 0.00 N ATOM 520 CA CYS A 33 8.099 4.359 -0.096 1.00 0.00 C ATOM 521 C CYS A 33 7.347 4.767 -1.371 1.00 0.00 C ATOM 522 O CYS A 33 6.126 4.916 -1.352 1.00 0.00 O ATOM 523 CB CYS A 33 7.951 5.461 0.949 1.00 0.00 C ATOM 524 SG CYS A 33 9.027 5.209 2.391 1.00 0.00 S ATOM 0 H CYS A 33 10.115 4.852 -0.027 1.00 0.00 H new ATOM 0 HA CYS A 33 7.663 3.431 0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.182 6.423 0.492 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.913 5.506 1.279 1.00 0.00 H new ATOM 0 HG CYS A 33 10.247 5.006 1.992 1.00 0.00 H new ATOM 530 N LEU A 34 8.070 4.993 -2.470 1.00 0.00 N ATOM 531 CA LEU A 34 7.527 5.546 -3.698 1.00 0.00 C ATOM 532 C LEU A 34 8.228 5.022 -4.950 1.00 0.00 C ATOM 533 O LEU A 34 9.375 4.581 -4.918 1.00 0.00 O ATOM 534 CB LEU A 34 7.650 7.080 -3.634 1.00 0.00 C ATOM 535 CG LEU A 34 6.287 7.773 -3.530 1.00 0.00 C ATOM 536 CD1 LEU A 34 6.319 9.042 -2.697 1.00 0.00 C ATOM 537 CD2 LEU A 34 5.818 8.198 -4.913 1.00 0.00 C ATOM 0 H LEU A 34 9.068 4.790 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 34 6.485 5.235 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.262 7.357 -2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.169 7.437 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 34 5.626 7.045 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.322 9.481 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.644 8.804 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.014 9.753 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.849 8.690 -4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.541 8.889 -5.346 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.728 7.320 -5.552 1.00 0.00 H new ATOM 549 N ASP A 35 7.517 5.198 -6.054 1.00 0.00 N ATOM 550 CA ASP A 35 7.933 5.004 -7.443 1.00 0.00 C ATOM 551 C ASP A 35 7.607 6.277 -8.216 1.00 0.00 C ATOM 552 O ASP A 35 6.513 6.829 -8.094 1.00 0.00 O ATOM 553 CB ASP A 35 7.111 3.849 -8.024 1.00 0.00 C ATOM 554 CG ASP A 35 7.169 3.576 -9.535 1.00 0.00 C ATOM 555 OD1 ASP A 35 8.056 4.065 -10.264 1.00 0.00 O ATOM 556 OD2 ASP A 35 6.173 3.010 -10.050 1.00 0.00 O ATOM 0 H ASP A 35 6.547 5.508 -6.000 1.00 0.00 H new ATOM 0 HA ASP A 35 8.999 4.784 -7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.420 2.937 -7.513 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.068 4.024 -7.762 1.00 0.00 H new ATOM 561 N ILE A 36 8.519 6.682 -9.086 1.00 0.00 N ATOM 562 CA ILE A 36 8.276 7.589 -10.190 1.00 0.00 C ATOM 563 C ILE A 36 8.932 6.992 -11.437 1.00 0.00 C ATOM 564 O ILE A 36 10.133 6.723 -11.476 1.00 0.00 O ATOM 565 CB ILE A 36 8.851 8.988 -9.954 1.00 0.00 C ATOM 566 CG1 ILE A 36 8.655 9.596 -8.549 1.00 0.00 C ATOM 567 CG2 ILE A 36 8.326 9.945 -11.049 1.00 0.00 C ATOM 568 CD1 ILE A 36 9.886 9.324 -7.678 1.00 0.00 C ATOM 0 H ILE A 36 9.490 6.372 -9.037 1.00 0.00 H new ATOM 0 HA ILE A 36 7.198 7.702 -10.302 1.00 0.00 H new ATOM 0 HB ILE A 36 9.932 8.861 -10.016 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.488 10.670 -8.630 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.768 9.170 -8.081 1.00 0.00 H new ATOM 0 HG21 ILE A 36 8.733 10.943 -10.885 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.637 9.582 -12.029 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.238 9.985 -11.006 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.735 9.758 -6.690 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.034 8.248 -7.583 1.00 0.00 H new ATOM 0 HD13 ILE A 36 10.765 9.772 -8.141 1.00 0.00 H new ATOM 580 N CYS A 37 8.148 6.884 -12.491 1.00 0.00 N ATOM 581 CA CYS A 37 8.567 6.544 -13.851 1.00 0.00 C ATOM 582 C CYS A 37 8.118 7.625 -14.844 1.00 0.00 C ATOM 583 O CYS A 37 7.428 8.571 -14.467 1.00 0.00 O ATOM 584 CB CYS A 37 8.039 5.151 -14.201 1.00 0.00 C ATOM 585 SG CYS A 37 8.998 3.871 -13.342 1.00 0.00 S ATOM 0 H CYS A 37 7.142 7.039 -12.425 1.00 0.00 H new ATOM 0 HA CYS A 37 9.655 6.513 -13.914 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.988 5.074 -13.923 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.096 4.994 -15.278 1.00 0.00 H new ATOM 0 HG CYS A 37 8.704 3.885 -12.076 1.00 0.00 H new ATOM 591 N GLY A 38 8.519 7.523 -16.110 1.00 0.00 N ATOM 592 CA GLY A 38 8.095 8.496 -17.122 1.00 0.00 C ATOM 593 C GLY A 38 8.541 8.215 -18.555 1.00 0.00 C ATOM 594 O GLY A 38 9.417 7.388 -18.807 1.00 0.00 O ATOM 0 H GLY A 38 9.131 6.785 -16.460 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.007 8.554 -17.107 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.471 9.477 -16.832 1.00 0.00 H new ATOM 598 N GLU A 39 7.939 8.957 -19.480 1.00 0.00 N ATOM 599 CA GLU A 39 7.744 8.661 -20.901 1.00 0.00 C ATOM 600 C GLU A 39 7.968 9.938 -21.734 1.00 0.00 C ATOM 601 O GLU A 39 7.092 10.470 -22.421 1.00 0.00 O ATOM 602 CB GLU A 39 6.336 8.076 -21.088 1.00 0.00 C ATOM 603 CG GLU A 39 6.241 6.636 -20.558 1.00 0.00 C ATOM 604 CD GLU A 39 4.793 6.139 -20.503 1.00 0.00 C ATOM 605 OE1 GLU A 39 4.162 6.378 -19.444 1.00 0.00 O ATOM 606 OE2 GLU A 39 4.359 5.499 -21.488 1.00 0.00 O ATOM 0 H GLU A 39 7.538 9.862 -19.235 1.00 0.00 H new ATOM 0 HA GLU A 39 8.467 7.924 -21.250 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.610 8.703 -20.570 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.073 8.092 -22.146 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.827 5.975 -21.197 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.679 6.587 -19.561 1.00 0.00 H new ATOM 702 N PHE A 47 3.762 18.566 -23.835 1.00 0.00 N ATOM 703 CA PHE A 47 2.873 18.050 -22.783 1.00 0.00 C ATOM 704 C PHE A 47 3.674 17.417 -21.626 1.00 0.00 C ATOM 705 O PHE A 47 3.890 16.211 -21.623 1.00 0.00 O ATOM 706 CB PHE A 47 1.903 17.013 -23.388 1.00 0.00 C ATOM 707 CG PHE A 47 0.881 17.524 -24.394 1.00 0.00 C ATOM 708 CD1 PHE A 47 1.245 17.733 -25.738 1.00 0.00 C ATOM 709 CD2 PHE A 47 -0.466 17.682 -24.013 1.00 0.00 C ATOM 710 CE1 PHE A 47 0.280 18.110 -26.690 1.00 0.00 C ATOM 711 CE2 PHE A 47 -1.435 18.044 -24.967 1.00 0.00 C ATOM 712 CZ PHE A 47 -1.062 18.262 -26.306 1.00 0.00 C ATOM 0 HA PHE A 47 2.307 18.887 -22.374 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.496 16.237 -23.873 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.363 16.537 -22.569 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.274 17.603 -26.041 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.756 17.525 -22.985 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.571 18.282 -27.716 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.468 18.155 -24.671 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.806 18.545 -27.036 1.00 0.00 H new ATOM 722 N PHE A 48 4.175 18.220 -20.683 1.00 0.00 N ATOM 723 CA PHE A 48 4.799 17.743 -19.442 1.00 0.00 C ATOM 724 C PHE A 48 3.689 17.516 -18.404 1.00 0.00 C ATOM 725 O PHE A 48 3.257 18.482 -17.768 1.00 0.00 O ATOM 726 CB PHE A 48 5.872 18.748 -18.964 1.00 0.00 C ATOM 727 CG PHE A 48 6.959 18.167 -18.075 1.00 0.00 C ATOM 728 CD1 PHE A 48 6.648 17.749 -16.768 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.294 18.091 -18.523 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.656 17.259 -15.920 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.302 17.597 -17.677 1.00 0.00 C ATOM 732 CZ PHE A 48 8.984 17.179 -16.374 1.00 0.00 C ATOM 0 H PHE A 48 4.159 19.237 -20.760 1.00 0.00 H new ATOM 0 HA PHE A 48 5.317 16.797 -19.602 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.343 19.195 -19.840 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.376 19.554 -18.423 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.629 17.805 -16.414 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.544 18.414 -19.523 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.410 16.943 -14.917 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.321 17.539 -18.029 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.757 16.798 -15.723 1.00 0.00 H new ATOM 742 N GLU A 49 3.165 16.297 -18.278 1.00 0.00 N ATOM 743 CA GLU A 49 1.980 16.017 -17.445 1.00 0.00 C ATOM 744 C GLU A 49 2.355 15.052 -16.315 1.00 0.00 C ATOM 745 O GLU A 49 2.885 13.975 -16.607 1.00 0.00 O ATOM 746 CB GLU A 49 0.880 15.433 -18.349 1.00 0.00 C ATOM 747 CG GLU A 49 -0.247 16.408 -18.686 1.00 0.00 C ATOM 748 CD GLU A 49 -1.298 16.599 -17.583 1.00 0.00 C ATOM 749 OE1 GLU A 49 -1.554 15.656 -16.801 1.00 0.00 O ATOM 750 OE2 GLU A 49 -1.871 17.711 -17.575 1.00 0.00 O ATOM 0 H GLU A 49 3.543 15.474 -18.746 1.00 0.00 H new ATOM 0 HA GLU A 49 1.608 16.931 -16.982 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.335 15.089 -19.278 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.452 14.558 -17.860 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.191 17.378 -18.920 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.750 16.059 -19.588 1.00 0.00 H new ATOM 757 N VAL A 50 2.144 15.439 -15.040 1.00 0.00 N ATOM 758 CA VAL A 50 2.614 14.635 -13.892 1.00 0.00 C ATOM 759 C VAL A 50 1.434 14.109 -13.083 1.00 0.00 C ATOM 760 O VAL A 50 0.550 14.860 -12.659 1.00 0.00 O ATOM 761 CB VAL A 50 3.561 15.412 -12.961 1.00 0.00 C ATOM 762 CG1 VAL A 50 4.210 14.518 -11.895 1.00 0.00 C ATOM 763 CG2 VAL A 50 4.681 16.128 -13.729 1.00 0.00 C ATOM 0 H VAL A 50 1.655 16.296 -14.780 1.00 0.00 H new ATOM 0 HA VAL A 50 3.177 13.804 -14.316 1.00 0.00 H new ATOM 0 HB VAL A 50 2.924 16.149 -12.473 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.868 15.119 -11.267 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.434 14.065 -11.278 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.790 13.734 -12.382 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.321 16.661 -13.026 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.274 15.395 -14.275 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.244 16.837 -14.432 1.00 0.00 H new ATOM 773 N THR A 51 1.444 12.803 -12.826 1.00 0.00 N ATOM 774 CA THR A 51 0.332 12.044 -12.258 1.00 0.00 C ATOM 775 C THR A 51 0.822 11.195 -11.088 1.00 0.00 C ATOM 776 O THR A 51 1.858 10.548 -11.200 1.00 0.00 O ATOM 777 CB THR A 51 -0.269 11.086 -13.313 1.00 0.00 C ATOM 778 OG1 THR A 51 0.177 11.318 -14.629 1.00 0.00 O ATOM 779 CG2 THR A 51 -1.786 11.156 -13.368 1.00 0.00 C ATOM 0 H THR A 51 2.260 12.221 -13.015 1.00 0.00 H new ATOM 0 HA THR A 51 -0.422 12.758 -11.927 1.00 0.00 H new ATOM 0 HB THR A 51 0.076 10.109 -12.974 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.244 10.674 -15.236 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.155 10.464 -14.125 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.198 10.885 -12.396 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.094 12.170 -13.623 1.00 0.00 H new ATOM 787 N VAL A 52 0.068 11.101 -9.993 1.00 0.00 N ATOM 788 CA VAL A 52 0.314 10.214 -8.837 1.00 0.00 C ATOM 789 C VAL A 52 -0.944 9.400 -8.527 1.00 0.00 C ATOM 790 O VAL A 52 -2.037 9.949 -8.506 1.00 0.00 O ATOM 791 CB VAL A 52 0.826 11.017 -7.624 1.00 0.00 C ATOM 792 CG1 VAL A 52 -0.157 12.091 -7.152 1.00 0.00 C ATOM 793 CG2 VAL A 52 1.139 10.109 -6.429 1.00 0.00 C ATOM 0 H VAL A 52 -0.773 11.665 -9.874 1.00 0.00 H new ATOM 0 HA VAL A 52 1.104 9.505 -9.086 1.00 0.00 H new ATOM 0 HB VAL A 52 1.735 11.502 -7.980 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.264 12.619 -6.296 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.339 12.798 -7.961 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.097 11.622 -6.862 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.497 10.714 -5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.236 9.577 -6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.907 9.389 -6.711 1.00 0.00 H new ATOM 803 N ALA A 53 -0.819 8.077 -8.405 1.00 0.00 N ATOM 804 CA ALA A 53 -1.931 7.114 -8.303 1.00 0.00 C ATOM 805 C ALA A 53 -3.098 7.392 -9.292 1.00 0.00 C ATOM 806 O ALA A 53 -4.277 7.274 -8.956 1.00 0.00 O ATOM 807 CB ALA A 53 -2.402 7.030 -6.845 1.00 0.00 C ATOM 0 H ALA A 53 0.094 7.623 -8.373 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.551 6.140 -8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.224 6.318 -6.769 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.576 6.700 -6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.740 8.012 -6.515 1.00 0.00 H new ATOM 813 N GLY A 54 -2.790 7.830 -10.522 1.00 0.00 N ATOM 814 CA GLY A 54 -3.808 8.220 -11.509 1.00 0.00 C ATOM 815 C GLY A 54 -4.550 9.525 -11.179 1.00 0.00 C ATOM 816 O GLY A 54 -5.732 9.662 -11.490 1.00 0.00 O ATOM 0 H GLY A 54 -1.832 7.924 -10.860 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.330 8.325 -12.483 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.537 7.415 -11.597 1.00 0.00 H new ATOM 820 N LYS A 55 -3.894 10.475 -10.507 1.00 0.00 N ATOM 821 CA LYS A 55 -4.344 11.840 -10.187 1.00 0.00 C ATOM 822 C LYS A 55 -3.312 12.845 -10.727 1.00 0.00 C ATOM 823 O LYS A 55 -2.177 12.870 -10.260 1.00 0.00 O ATOM 824 CB LYS A 55 -4.529 12.023 -8.673 1.00 0.00 C ATOM 825 CG LYS A 55 -5.383 10.995 -7.902 1.00 0.00 C ATOM 826 CD LYS A 55 -6.892 11.295 -7.845 1.00 0.00 C ATOM 827 CE LYS A 55 -7.685 11.015 -9.129 1.00 0.00 C ATOM 828 NZ LYS A 55 -7.643 9.583 -9.517 1.00 0.00 N ATOM 0 H LYS A 55 -2.958 10.299 -10.141 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.311 12.015 -10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.539 12.037 -8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.969 13.007 -8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.242 10.016 -8.360 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.005 10.927 -6.882 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.328 10.707 -7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.023 12.345 -7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.722 11.320 -8.987 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.283 11.621 -9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.950 9.450 -10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.367 9.009 -8.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.583 9.285 -9.847 1.00 0.00 H new ATOM 842 N LEU A 56 -3.670 13.591 -11.768 1.00 0.00 N ATOM 843 CA LEU A 56 -2.939 14.730 -12.323 1.00 0.00 C ATOM 844 C LEU A 56 -2.743 15.816 -11.257 1.00 0.00 C ATOM 845 O LEU A 56 -3.695 16.208 -10.584 1.00 0.00 O ATOM 846 CB LEU A 56 -3.721 15.134 -13.596 1.00 0.00 C ATOM 847 CG LEU A 56 -3.683 16.561 -14.173 1.00 0.00 C ATOM 848 CD1 LEU A 56 -4.752 17.472 -13.559 1.00 0.00 C ATOM 849 CD2 LEU A 56 -2.318 17.215 -14.051 1.00 0.00 C ATOM 0 H LEU A 56 -4.533 13.406 -12.280 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.913 14.508 -12.617 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.388 14.467 -14.391 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.769 14.903 -13.405 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.902 16.439 -15.234 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.681 18.466 -14.001 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.741 17.057 -13.756 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.596 17.542 -12.482 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.356 18.218 -14.475 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.036 17.276 -13.000 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.580 16.621 -14.590 1.00 0.00 H new ATOM 861 N VAL A 57 -1.490 16.255 -11.090 1.00 0.00 N ATOM 862 CA VAL A 57 -1.093 17.311 -10.129 1.00 0.00 C ATOM 863 C VAL A 57 -0.343 18.466 -10.802 1.00 0.00 C ATOM 864 O VAL A 57 -0.278 19.577 -10.266 1.00 0.00 O ATOM 865 CB VAL A 57 -0.224 16.739 -8.990 1.00 0.00 C ATOM 866 CG1 VAL A 57 -0.207 17.661 -7.760 1.00 0.00 C ATOM 867 CG2 VAL A 57 -0.699 15.368 -8.501 1.00 0.00 C ATOM 0 H VAL A 57 -0.704 15.885 -11.624 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.023 17.702 -9.715 1.00 0.00 H new ATOM 0 HB VAL A 57 0.770 16.652 -9.429 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.417 17.219 -6.983 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.197 18.634 -8.040 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.223 17.784 -7.384 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.046 15.021 -7.700 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.720 15.448 -8.128 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.670 14.657 -9.327 1.00 0.00 H new ATOM 877 N HIS A 58 0.221 18.211 -11.987 1.00 0.00 N ATOM 878 CA HIS A 58 1.042 19.160 -12.725 1.00 0.00 C ATOM 879 C HIS A 58 0.840 19.050 -14.227 1.00 0.00 C ATOM 880 O HIS A 58 0.732 17.951 -14.764 1.00 0.00 O ATOM 881 CB HIS A 58 2.496 18.852 -12.425 1.00 0.00 C ATOM 882 CG HIS A 58 3.457 19.973 -12.656 1.00 0.00 C ATOM 883 ND1 HIS A 58 3.292 21.298 -12.333 1.00 0.00 N ATOM 884 CD2 HIS A 58 4.664 19.835 -13.273 1.00 0.00 C ATOM 885 CE1 HIS A 58 4.402 21.941 -12.712 1.00 0.00 C ATOM 886 NE2 HIS A 58 5.284 21.080 -13.247 1.00 0.00 N ATOM 0 H HIS A 58 0.113 17.317 -12.466 1.00 0.00 H new ATOM 0 HA HIS A 58 0.758 20.166 -12.417 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.575 18.539 -11.384 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.802 18.003 -13.037 1.00 0.00 H new ATOM 0 HD1 HIS A 58 2.475 21.714 -11.887 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.065 18.928 -13.702 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.566 23.003 -12.603 1.00 0.00 H new ATOM 894 N SER A 59 0.868 20.193 -14.906 1.00 0.00 N ATOM 895 CA SER A 59 0.561 20.257 -16.326 1.00 0.00 C ATOM 896 C SER A 59 1.180 21.463 -17.025 1.00 0.00 C ATOM 897 O SER A 59 0.684 22.594 -16.925 1.00 0.00 O ATOM 898 CB SER A 59 -0.944 20.390 -16.494 1.00 0.00 C ATOM 899 OG SER A 59 -1.293 20.134 -17.832 1.00 0.00 O ATOM 0 H SER A 59 1.103 21.094 -14.488 1.00 0.00 H new ATOM 0 HA SER A 59 0.967 19.348 -16.770 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.457 19.691 -15.834 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.265 21.392 -16.209 1.00 0.00 H new ATOM 0 HG SER A 59 -1.763 19.276 -17.889 1.00 0.00 H new ATOM 905 N LYS A 60 2.181 21.239 -17.872 1.00 0.00 N ATOM 906 CA LYS A 60 2.493 22.226 -18.911 1.00 0.00 C ATOM 907 C LYS A 60 1.346 22.500 -19.890 1.00 0.00 C ATOM 908 O LYS A 60 1.351 23.574 -20.488 1.00 0.00 O ATOM 909 CB LYS A 60 3.746 21.767 -19.660 1.00 0.00 C ATOM 910 CG LYS A 60 5.024 22.259 -18.975 1.00 0.00 C ATOM 911 CD LYS A 60 5.333 23.737 -19.234 1.00 0.00 C ATOM 912 CE LYS A 60 5.706 23.963 -20.699 1.00 0.00 C ATOM 913 NZ LYS A 60 6.400 25.262 -20.881 1.00 0.00 N ATOM 0 H LYS A 60 2.776 20.411 -17.866 1.00 0.00 H new ATOM 0 HA LYS A 60 2.664 23.178 -18.408 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.759 20.679 -19.716 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.715 22.139 -20.684 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.934 22.099 -17.901 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.865 21.656 -19.318 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.466 24.345 -18.976 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.152 24.060 -18.591 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.349 23.153 -21.043 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.806 23.939 -21.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.536 25.444 -21.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.826 26.023 -20.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.326 25.230 -20.408 1.00 0.00 H new ATOM 927 N LYS A 61 0.362 21.601 -20.047 1.00 0.00 N ATOM 928 CA LYS A 61 -0.794 21.801 -20.943 1.00 0.00 C ATOM 929 C LYS A 61 -1.862 22.735 -20.355 1.00 0.00 C ATOM 930 O LYS A 61 -2.352 23.599 -21.079 1.00 0.00 O ATOM 931 CB LYS A 61 -1.376 20.436 -21.362 1.00 0.00 C ATOM 932 CG LYS A 61 -2.604 20.524 -22.288 1.00 0.00 C ATOM 933 CD LYS A 61 -2.358 21.323 -23.580 1.00 0.00 C ATOM 934 CE LYS A 61 -3.637 21.370 -24.423 1.00 0.00 C ATOM 935 NZ LYS A 61 -3.505 22.322 -25.554 1.00 0.00 N ATOM 0 H LYS A 61 0.343 20.708 -19.554 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.434 22.314 -21.835 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.598 19.862 -21.865 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.652 19.882 -20.465 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.920 19.515 -22.552 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.427 20.983 -21.740 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.038 22.336 -23.335 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.552 20.864 -24.153 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.858 20.374 -24.807 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.478 21.663 -23.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.387 22.331 -26.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.318 23.276 -25.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.717 22.027 -26.166 1.00 0.00 H new ATOM 949 N ARG A 62 -2.208 22.597 -19.068 1.00 0.00 N ATOM 950 CA ARG A 62 -3.178 23.459 -18.361 1.00 0.00 C ATOM 951 C ARG A 62 -2.667 24.874 -18.064 1.00 0.00 C ATOM 952 O ARG A 62 -3.408 25.714 -17.556 1.00 0.00 O ATOM 953 CB ARG A 62 -3.669 22.730 -17.094 1.00 0.00 C ATOM 954 CG ARG A 62 -2.929 23.033 -15.778 1.00 0.00 C ATOM 955 CD ARG A 62 -3.593 24.101 -14.913 1.00 0.00 C ATOM 956 NE ARG A 62 -2.588 24.918 -14.203 1.00 0.00 N ATOM 957 CZ ARG A 62 -2.493 26.232 -14.143 1.00 0.00 C ATOM 958 NH1 ARG A 62 -3.142 27.016 -14.958 1.00 0.00 N ATOM 959 NH2 ARG A 62 -1.709 26.767 -13.254 1.00 0.00 N ATOM 0 H ARG A 62 -1.815 21.868 -18.472 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.019 23.626 -19.034 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.723 22.971 -16.952 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.609 21.657 -17.276 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.849 22.112 -15.200 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.913 23.352 -16.012 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.212 24.745 -15.538 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.255 23.626 -14.189 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.874 24.398 -13.692 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.749 26.617 -15.674 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.042 28.028 -14.880 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.179 26.172 -12.617 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.624 27.782 -13.194 1.00 0.00 H new ATOM 973 N GLY A 63 -1.381 25.112 -18.306 1.00 0.00 N ATOM 974 CA GLY A 63 -0.690 26.357 -17.978 1.00 0.00 C ATOM 975 C GLY A 63 -0.133 26.391 -16.561 1.00 0.00 C ATOM 976 O GLY A 63 -0.066 27.458 -15.956 1.00 0.00 O ATOM 0 H GLY A 63 -0.772 24.424 -18.749 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.127 26.506 -18.684 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.380 27.191 -18.108 1.00 0.00 H new ATOM 980 N ASP A 64 0.244 25.231 -16.011 1.00 0.00 N ATOM 981 CA ASP A 64 0.915 25.160 -14.715 1.00 0.00 C ATOM 982 C ASP A 64 2.410 25.468 -14.786 1.00 0.00 C ATOM 983 O ASP A 64 3.000 25.747 -13.749 1.00 0.00 O ATOM 984 CB ASP A 64 0.678 23.786 -14.074 1.00 0.00 C ATOM 985 CG ASP A 64 0.609 23.867 -12.550 1.00 0.00 C ATOM 986 OD1 ASP A 64 -0.124 24.739 -12.022 1.00 0.00 O ATOM 987 OD2 ASP A 64 1.205 23.005 -11.871 1.00 0.00 O ATOM 0 H ASP A 64 0.092 24.323 -16.451 1.00 0.00 H new ATOM 0 HA ASP A 64 0.475 25.939 -14.092 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.251 23.363 -14.457 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.480 23.108 -14.365 1.00 0.00 H new ATOM 992 N GLY A 65 3.024 25.449 -15.975 1.00 0.00 N ATOM 993 CA GLY A 65 4.473 25.491 -16.120 1.00 0.00 C ATOM 994 C GLY A 65 5.059 24.118 -15.819 1.00 0.00 C ATOM 995 O GLY A 65 4.328 23.143 -15.650 1.00 0.00 O ATOM 0 H GLY A 65 2.523 25.404 -16.862 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.738 25.796 -17.132 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.895 26.233 -15.442 1.00 0.00 H new ATOM 999 N TYR A 66 6.380 24.045 -15.797 1.00 0.00 N ATOM 1000 CA TYR A 66 7.102 23.037 -15.033 1.00 0.00 C ATOM 1001 C TYR A 66 7.093 23.440 -13.546 1.00 0.00 C ATOM 1002 O TYR A 66 6.478 24.444 -13.171 1.00 0.00 O ATOM 1003 CB TYR A 66 8.536 22.947 -15.555 1.00 0.00 C ATOM 1004 CG TYR A 66 8.685 22.956 -17.064 1.00 0.00 C ATOM 1005 CD1 TYR A 66 8.455 21.782 -17.808 1.00 0.00 C ATOM 1006 CD2 TYR A 66 9.032 24.154 -17.722 1.00 0.00 C ATOM 1007 CE1 TYR A 66 8.554 21.807 -19.213 1.00 0.00 C ATOM 1008 CE2 TYR A 66 9.126 24.184 -19.125 1.00 0.00 C ATOM 1009 CZ TYR A 66 8.871 23.013 -19.872 1.00 0.00 C ATOM 1010 OH TYR A 66 8.867 23.076 -21.228 1.00 0.00 O ATOM 0 H TYR A 66 6.985 24.685 -16.310 1.00 0.00 H new ATOM 0 HA TYR A 66 6.627 22.062 -15.141 1.00 0.00 H new ATOM 0 HB2 TYR A 66 9.106 23.782 -15.146 1.00 0.00 H new ATOM 0 HB3 TYR A 66 8.988 22.033 -15.169 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.203 20.862 -17.301 1.00 0.00 H new ATOM 0 HD2 TYR A 66 9.226 25.048 -17.149 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.388 20.905 -19.784 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.393 25.101 -19.630 1.00 0.00 H new ATOM 0 HH TYR A 66 9.165 22.218 -21.596 1.00 0.00 H new ATOM 1020 N VAL A 67 7.797 22.724 -12.662 1.00 0.00 N ATOM 1021 CA VAL A 67 8.156 23.331 -11.369 1.00 0.00 C ATOM 1022 C VAL A 67 9.241 24.371 -11.606 1.00 0.00 C ATOM 1023 O VAL A 67 10.417 24.072 -11.806 1.00 0.00 O ATOM 1024 CB VAL A 67 8.488 22.381 -10.217 1.00 0.00 C ATOM 1025 CG1 VAL A 67 7.213 21.664 -9.751 1.00 0.00 C ATOM 1026 CG2 VAL A 67 9.557 21.329 -10.524 1.00 0.00 C ATOM 0 H VAL A 67 8.119 21.767 -12.804 1.00 0.00 H new ATOM 0 HA VAL A 67 7.243 23.796 -10.996 1.00 0.00 H new ATOM 0 HB VAL A 67 8.906 23.019 -9.439 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.455 20.988 -8.930 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.485 22.401 -9.412 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.793 21.093 -10.579 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.719 20.707 -9.644 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.225 20.705 -11.354 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.489 21.825 -10.794 1.00 0.00 H new ATOM 1036 N ASP A 68 8.772 25.608 -11.676 1.00 0.00 N ATOM 1037 CA ASP A 68 9.535 26.794 -12.021 1.00 0.00 C ATOM 1038 C ASP A 68 9.885 27.638 -10.786 1.00 0.00 C ATOM 1039 O ASP A 68 10.690 28.563 -10.853 1.00 0.00 O ATOM 1040 CB ASP A 68 8.688 27.598 -12.987 1.00 0.00 C ATOM 1041 CG ASP A 68 8.403 26.882 -14.320 1.00 0.00 C ATOM 1042 OD1 ASP A 68 9.319 26.261 -14.902 1.00 0.00 O ATOM 1043 OD2 ASP A 68 7.209 26.872 -14.706 1.00 0.00 O ATOM 0 H ASP A 68 7.793 25.821 -11.482 1.00 0.00 H new ATOM 0 HA ASP A 68 10.485 26.502 -12.469 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.740 27.840 -12.507 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.191 28.543 -13.195 1.00 0.00 H new ATOM 1048 N THR A 69 9.285 27.330 -9.633 1.00 0.00 N ATOM 1049 CA THR A 69 9.645 27.963 -8.359 1.00 0.00 C ATOM 1050 C THR A 69 9.510 26.976 -7.216 1.00 0.00 C ATOM 1051 O THR A 69 8.727 26.027 -7.292 1.00 0.00 O ATOM 1052 CB THR A 69 8.775 29.194 -8.045 1.00 0.00 C ATOM 1053 OG1 THR A 69 8.121 29.719 -9.177 1.00 0.00 O ATOM 1054 CG2 THR A 69 9.590 30.343 -7.457 1.00 0.00 C ATOM 0 H THR A 69 8.539 26.638 -9.555 1.00 0.00 H new ATOM 0 HA THR A 69 10.680 28.289 -8.462 1.00 0.00 H new ATOM 0 HB THR A 69 8.044 28.819 -7.329 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.585 30.496 -8.914 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.933 31.188 -7.252 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.062 30.017 -6.530 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.359 30.645 -8.168 1.00 0.00 H new ATOM 1062 N GLU A 70 10.177 27.301 -6.109 1.00 0.00 N ATOM 1063 CA GLU A 70 10.041 26.678 -4.785 1.00 0.00 C ATOM 1064 C GLU A 70 8.571 26.484 -4.453 1.00 0.00 C ATOM 1065 O GLU A 70 8.063 25.377 -4.346 1.00 0.00 O ATOM 1066 CB GLU A 70 10.701 27.619 -3.758 1.00 0.00 C ATOM 1067 CG GLU A 70 10.972 26.985 -2.386 1.00 0.00 C ATOM 1068 CD GLU A 70 9.684 26.724 -1.591 1.00 0.00 C ATOM 1069 OE1 GLU A 70 8.827 27.636 -1.528 1.00 0.00 O ATOM 1070 OE2 GLU A 70 9.503 25.595 -1.100 1.00 0.00 O ATOM 0 H GLU A 70 10.869 28.050 -6.108 1.00 0.00 H new ATOM 0 HA GLU A 70 10.523 25.700 -4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.644 27.979 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 70 10.061 28.490 -3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.506 26.045 -2.523 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.624 27.641 -1.809 1.00 0.00 H new ATOM 1077 N SER A 71 7.872 27.610 -4.469 1.00 0.00 N ATOM 1078 CA SER A 71 6.458 27.707 -4.098 1.00 0.00 C ATOM 1079 C SER A 71 5.544 26.840 -4.973 1.00 0.00 C ATOM 1080 O SER A 71 4.460 26.437 -4.551 1.00 0.00 O ATOM 1081 CB SER A 71 6.043 29.178 -4.151 1.00 0.00 C ATOM 1082 OG SER A 71 5.190 29.540 -3.075 1.00 0.00 O ATOM 0 H SER A 71 8.277 28.504 -4.746 1.00 0.00 H new ATOM 0 HA SER A 71 6.343 27.318 -3.086 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.934 29.805 -4.131 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.536 29.376 -5.095 1.00 0.00 H new ATOM 0 HG SER A 71 4.953 30.488 -3.150 1.00 0.00 H new ATOM 1088 N LYS A 72 6.007 26.496 -6.183 1.00 0.00 N ATOM 1089 CA LYS A 72 5.368 25.515 -7.059 1.00 0.00 C ATOM 1090 C LYS A 72 5.770 24.073 -6.742 1.00 0.00 C ATOM 1091 O LYS A 72 4.902 23.210 -6.661 1.00 0.00 O ATOM 1092 CB LYS A 72 5.600 25.881 -8.533 1.00 0.00 C ATOM 1093 CG LYS A 72 4.323 25.579 -9.330 1.00 0.00 C ATOM 1094 CD LYS A 72 4.534 25.623 -10.841 1.00 0.00 C ATOM 1095 CE LYS A 72 5.081 26.963 -11.357 1.00 0.00 C ATOM 1096 NZ LYS A 72 5.252 26.915 -12.826 1.00 0.00 N ATOM 0 H LYS A 72 6.852 26.902 -6.584 1.00 0.00 H new ATOM 0 HA LYS A 72 4.296 25.557 -6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.859 26.936 -8.623 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.438 25.312 -8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.952 24.593 -9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.552 26.299 -9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.223 24.828 -11.125 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.586 25.415 -11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.398 27.770 -11.089 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.036 27.182 -10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.574 27.843 -13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.958 26.192 -13.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.344 26.677 -13.274 1.00 0.00 H new ATOM 1110 N PHE A 73 7.059 23.809 -6.538 1.00 0.00 N ATOM 1111 CA PHE A 73 7.566 22.486 -6.148 1.00 0.00 C ATOM 1112 C PHE A 73 6.976 22.020 -4.808 1.00 0.00 C ATOM 1113 O PHE A 73 6.495 20.897 -4.688 1.00 0.00 O ATOM 1114 CB PHE A 73 9.102 22.518 -6.119 1.00 0.00 C ATOM 1115 CG PHE A 73 9.759 21.239 -5.625 1.00 0.00 C ATOM 1116 CD1 PHE A 73 9.498 20.006 -6.257 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.627 21.280 -4.515 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.087 18.823 -5.770 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.224 20.100 -4.038 1.00 0.00 C ATOM 1120 CZ PHE A 73 10.944 18.871 -4.656 1.00 0.00 C ATOM 0 H PHE A 73 7.792 24.511 -6.639 1.00 0.00 H new ATOM 0 HA PHE A 73 7.245 21.754 -6.889 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.466 22.731 -7.124 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.422 23.343 -5.483 1.00 0.00 H new ATOM 0 HD1 PHE A 73 8.845 19.969 -7.116 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.834 22.222 -4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.881 17.879 -6.252 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.899 20.139 -3.195 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.387 17.962 -4.276 1.00 0.00 H new ATOM 1130 N ARG A 74 6.897 22.915 -3.823 1.00 0.00 N ATOM 1131 CA ARG A 74 6.379 22.711 -2.465 1.00 0.00 C ATOM 1132 C ARG A 74 4.955 22.169 -2.423 1.00 0.00 C ATOM 1133 O ARG A 74 4.627 21.393 -1.525 1.00 0.00 O ATOM 1134 CB ARG A 74 6.498 24.054 -1.718 1.00 0.00 C ATOM 1135 CG ARG A 74 6.428 23.937 -0.188 1.00 0.00 C ATOM 1136 CD ARG A 74 6.549 25.311 0.494 1.00 0.00 C ATOM 1137 NE ARG A 74 5.351 26.148 0.275 1.00 0.00 N ATOM 1138 CZ ARG A 74 5.292 27.357 -0.262 1.00 0.00 C ATOM 1139 NH1 ARG A 74 6.322 28.029 -0.676 1.00 0.00 N ATOM 1140 NH2 ARG A 74 4.141 27.946 -0.418 1.00 0.00 N ATOM 0 H ARG A 74 7.217 23.874 -3.961 1.00 0.00 H new ATOM 0 HA ARG A 74 6.974 21.938 -1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.442 24.526 -1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.701 24.716 -2.057 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.486 23.470 0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.227 23.284 0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.703 25.172 1.564 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.428 25.829 0.111 1.00 0.00 H new ATOM 0 HE ARG A 74 4.462 25.746 0.573 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.257 27.629 -0.598 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.197 28.957 -1.080 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.284 27.476 -0.126 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.097 28.877 -0.832 1.00 0.00 H new ATOM 1154 N LYS A 75 4.126 22.506 -3.420 1.00 0.00 N ATOM 1155 CA LYS A 75 2.793 21.949 -3.623 1.00 0.00 C ATOM 1156 C LYS A 75 2.845 20.429 -3.824 1.00 0.00 C ATOM 1157 O LYS A 75 2.052 19.698 -3.237 1.00 0.00 O ATOM 1158 CB LYS A 75 2.123 22.752 -4.743 1.00 0.00 C ATOM 1159 CG LYS A 75 1.918 22.044 -6.088 1.00 0.00 C ATOM 1160 CD LYS A 75 1.578 23.158 -7.066 1.00 0.00 C ATOM 1161 CE LYS A 75 1.089 22.625 -8.420 1.00 0.00 C ATOM 1162 NZ LYS A 75 0.731 23.730 -9.341 1.00 0.00 N ATOM 0 H LYS A 75 4.378 23.196 -4.127 1.00 0.00 H new ATOM 0 HA LYS A 75 2.167 22.053 -2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.149 23.084 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.719 23.647 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.817 21.509 -6.395 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.115 21.310 -6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.808 23.796 -6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.458 23.781 -7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.867 22.010 -8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.222 21.982 -8.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.289 23.698 -9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.969 24.641 -8.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.262 23.627 -10.230 1.00 0.00 H new ATOM 1176 N LEU A 76 3.838 19.955 -4.580 1.00 0.00 N ATOM 1177 CA LEU A 76 4.065 18.537 -4.851 1.00 0.00 C ATOM 1178 C LEU A 76 4.711 17.853 -3.655 1.00 0.00 C ATOM 1179 O LEU A 76 4.260 16.799 -3.215 1.00 0.00 O ATOM 1180 CB LEU A 76 4.941 18.400 -6.112 1.00 0.00 C ATOM 1181 CG LEU A 76 4.868 17.024 -6.791 1.00 0.00 C ATOM 1182 CD1 LEU A 76 3.498 16.754 -7.418 1.00 0.00 C ATOM 1183 CD2 LEU A 76 5.903 16.960 -7.911 1.00 0.00 C ATOM 0 H LEU A 76 4.522 20.563 -5.031 1.00 0.00 H new ATOM 0 HA LEU A 76 3.109 18.044 -5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.642 19.163 -6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.977 18.604 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 76 5.055 16.278 -6.019 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.499 15.769 -7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.731 16.788 -6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.287 17.512 -8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.855 15.985 -8.396 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.695 17.740 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 76 6.899 17.109 -7.495 1.00 0.00 H new ATOM 1195 N VAL A 77 5.716 18.501 -3.072 1.00 0.00 N ATOM 1196 CA VAL A 77 6.351 17.970 -1.862 1.00 0.00 C ATOM 1197 C VAL A 77 5.328 17.759 -0.767 1.00 0.00 C ATOM 1198 O VAL A 77 5.312 16.696 -0.160 1.00 0.00 O ATOM 1199 CB VAL A 77 7.517 18.840 -1.357 1.00 0.00 C ATOM 1200 CG1 VAL A 77 8.151 18.282 -0.073 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.620 18.928 -2.404 1.00 0.00 C ATOM 0 H VAL A 77 6.106 19.381 -3.409 1.00 0.00 H new ATOM 0 HA VAL A 77 6.781 17.007 -2.138 1.00 0.00 H new ATOM 0 HB VAL A 77 7.089 19.822 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.968 18.932 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.399 18.238 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.537 17.280 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.433 19.548 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.996 17.928 -2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.221 19.371 -3.316 1.00 0.00 H new ATOM 1211 N THR A 78 4.411 18.702 -0.566 1.00 0.00 N ATOM 1212 CA THR A 78 3.349 18.553 0.427 1.00 0.00 C ATOM 1213 C THR A 78 2.391 17.433 0.076 1.00 0.00 C ATOM 1214 O THR A 78 2.085 16.607 0.935 1.00 0.00 O ATOM 1215 CB THR A 78 2.585 19.866 0.657 1.00 0.00 C ATOM 1216 OG1 THR A 78 3.488 20.898 0.969 1.00 0.00 O ATOM 1217 CG2 THR A 78 1.605 19.789 1.827 1.00 0.00 C ATOM 0 H THR A 78 4.382 19.582 -1.080 1.00 0.00 H new ATOM 0 HA THR A 78 3.843 18.286 1.361 1.00 0.00 H new ATOM 0 HB THR A 78 2.036 20.055 -0.266 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.967 21.170 0.158 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.096 20.746 1.939 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.870 19.008 1.635 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.149 19.558 2.743 1.00 0.00 H new ATOM 1225 N ALA A 79 1.968 17.355 -1.184 1.00 0.00 N ATOM 1226 CA ALA A 79 0.907 16.421 -1.556 1.00 0.00 C ATOM 1227 C ALA A 79 1.389 14.977 -1.609 1.00 0.00 C ATOM 1228 O ALA A 79 0.650 14.048 -1.291 1.00 0.00 O ATOM 1229 CB ALA A 79 0.279 16.863 -2.883 1.00 0.00 C ATOM 0 H ALA A 79 2.335 17.916 -1.952 1.00 0.00 H new ATOM 0 HA ALA A 79 0.144 16.446 -0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.512 16.167 -3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.140 17.863 -2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.042 16.874 -3.661 1.00 0.00 H new ATOM 1235 N ILE A 80 2.673 14.803 -1.906 1.00 0.00 N ATOM 1236 CA ILE A 80 3.286 13.486 -1.993 1.00 0.00 C ATOM 1237 C ILE A 80 3.705 13.034 -0.587 1.00 0.00 C ATOM 1238 O ILE A 80 3.601 11.855 -0.281 1.00 0.00 O ATOM 1239 CB ILE A 80 4.428 13.514 -3.029 1.00 0.00 C ATOM 1240 CG1 ILE A 80 3.964 13.952 -4.445 1.00 0.00 C ATOM 1241 CG2 ILE A 80 5.106 12.143 -3.139 1.00 0.00 C ATOM 1242 CD1 ILE A 80 3.050 12.989 -5.206 1.00 0.00 C ATOM 0 H ILE A 80 3.316 15.572 -2.093 1.00 0.00 H new ATOM 0 HA ILE A 80 2.581 12.738 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 80 5.134 14.259 -2.661 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.447 14.907 -4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.852 14.128 -5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.907 12.191 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.521 11.863 -2.170 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.373 11.398 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.801 13.415 -6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.562 12.037 -5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.135 12.828 -4.635 1.00 0.00 H new ATOM 1254 N LYS A 81 4.038 13.962 0.325 1.00 0.00 N ATOM 1255 CA LYS A 81 4.348 13.655 1.743 1.00 0.00 C ATOM 1256 C LYS A 81 3.098 13.204 2.485 1.00 0.00 C ATOM 1257 O LYS A 81 3.132 12.231 3.235 1.00 0.00 O ATOM 1258 CB LYS A 81 5.006 14.890 2.395 1.00 0.00 C ATOM 1259 CG LYS A 81 5.890 14.670 3.641 1.00 0.00 C ATOM 1260 CD LYS A 81 7.126 15.610 3.681 1.00 0.00 C ATOM 1261 CE LYS A 81 8.194 15.292 2.607 1.00 0.00 C ATOM 1262 NZ LYS A 81 9.386 16.187 2.645 1.00 0.00 N ATOM 0 H LYS A 81 4.102 14.956 0.104 1.00 0.00 H new ATOM 0 HA LYS A 81 5.053 12.826 1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.615 15.383 1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.212 15.586 2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.291 14.828 4.538 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.227 13.634 3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.791 16.639 3.552 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.587 15.546 4.667 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.524 14.261 2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.733 15.361 1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.180 15.728 2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.160 17.086 2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.650 16.372 3.634 1.00 0.00 H new ATOM 1276 N ALA A 82 1.993 13.883 2.201 1.00 0.00 N ATOM 1277 CA ALA A 82 0.651 13.510 2.632 1.00 0.00 C ATOM 1278 C ALA A 82 0.221 12.152 2.057 1.00 0.00 C ATOM 1279 O ALA A 82 -0.135 11.263 2.825 1.00 0.00 O ATOM 1280 CB ALA A 82 -0.329 14.631 2.264 1.00 0.00 C ATOM 0 H ALA A 82 2.007 14.738 1.645 1.00 0.00 H new ATOM 0 HA ALA A 82 0.649 13.388 3.715 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.334 14.356 2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.030 15.554 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.321 14.781 1.184 1.00 0.00 H new ATOM 1286 N ALA A 83 0.303 11.964 0.734 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.060 10.703 0.080 1.00 0.00 C ATOM 1288 C ALA A 83 0.772 9.510 0.571 1.00 0.00 C ATOM 1289 O ALA A 83 0.284 8.382 0.657 1.00 0.00 O ATOM 1290 CB ALA A 83 0.056 10.863 -1.440 1.00 0.00 C ATOM 0 H ALA A 83 0.624 12.684 0.087 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.092 10.480 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.214 9.925 -1.926 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.617 11.652 -1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.081 11.125 -1.701 1.00 0.00 H new ATOM 1296 N LEU A 84 2.022 9.772 0.945 1.00 0.00 N ATOM 1297 CA LEU A 84 2.925 8.765 1.493 1.00 0.00 C ATOM 1298 C LEU A 84 2.444 8.288 2.860 1.00 0.00 C ATOM 1299 O LEU A 84 2.179 7.101 3.050 1.00 0.00 O ATOM 1300 CB LEU A 84 4.350 9.342 1.546 1.00 0.00 C ATOM 1301 CG LEU A 84 5.487 8.326 1.553 1.00 0.00 C ATOM 1302 CD1 LEU A 84 5.601 7.540 2.859 1.00 0.00 C ATOM 1303 CD2 LEU A 84 5.340 7.406 0.338 1.00 0.00 C ATOM 0 H LEU A 84 2.440 10.700 0.875 1.00 0.00 H new ATOM 0 HA LEU A 84 2.934 7.888 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.485 10.001 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.437 9.960 2.440 1.00 0.00 H new ATOM 0 HG LEU A 84 6.426 8.875 1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.431 6.837 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.778 8.230 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.676 6.992 3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.149 6.676 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.383 6.887 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.383 8.000 -0.575 1.00 0.00 H new ATOM 1315 N ALA A 85 2.274 9.222 3.796 1.00 0.00 N ATOM 1316 CA ALA A 85 1.748 8.926 5.132 1.00 0.00 C ATOM 1317 C ALA A 85 0.332 8.318 5.120 1.00 0.00 C ATOM 1318 O ALA A 85 -0.057 7.615 6.047 1.00 0.00 O ATOM 1319 CB ALA A 85 1.809 10.206 5.974 1.00 0.00 C ATOM 0 H ALA A 85 2.497 10.207 3.651 1.00 0.00 H new ATOM 0 HA ALA A 85 2.374 8.153 5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.421 10.004 6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.843 10.544 6.048 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.207 10.982 5.501 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.415 8.550 4.044 1.00 0.00 N ATOM 1326 CA GLN A 86 -1.757 8.031 3.785 1.00 0.00 C ATOM 1327 C GLN A 86 -1.714 6.572 3.317 1.00 0.00 C ATOM 1328 O GLN A 86 -2.442 5.724 3.829 1.00 0.00 O ATOM 1329 CB GLN A 86 -2.437 8.983 2.786 1.00 0.00 C ATOM 1330 CG GLN A 86 -3.903 8.685 2.456 1.00 0.00 C ATOM 1331 CD GLN A 86 -4.496 9.807 1.597 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -3.939 10.240 0.602 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -5.647 10.339 1.943 1.00 0.00 N ATOM 0 H GLN A 86 -0.080 9.141 3.283 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.350 8.005 4.699 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.375 9.997 3.182 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -1.867 8.968 1.857 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -3.977 7.735 1.927 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -4.476 8.582 3.377 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.138 9.999 2.770 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.049 11.092 1.385 1.00 0.00 H new ATOM 1342 N CYS A 87 -0.824 6.272 2.376 1.00 0.00 N ATOM 1343 CA CYS A 87 -0.567 4.917 1.877 1.00 0.00 C ATOM 1344 C CYS A 87 0.214 4.029 2.856 1.00 0.00 C ATOM 1345 O CYS A 87 0.152 2.809 2.747 1.00 0.00 O ATOM 1346 CB CYS A 87 0.181 4.992 0.544 1.00 0.00 C ATOM 1347 SG CYS A 87 -0.438 3.694 -0.573 1.00 0.00 S ATOM 0 H CYS A 87 -0.244 6.980 1.925 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.543 4.449 1.750 1.00 0.00 H new ATOM 0 HB2 CYS A 87 0.041 5.974 0.091 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.251 4.866 0.708 1.00 0.00 H new ATOM 0 HG CYS A 87 0.503 3.349 -1.401 1.00 0.00 H new ATOM 1353 N GLN A 88 0.913 4.615 3.833 1.00 0.00 N ATOM 1354 CA GLN A 88 1.600 3.852 4.894 1.00 0.00 C ATOM 1355 C GLN A 88 0.661 2.999 5.776 1.00 0.00 C ATOM 1356 O GLN A 88 1.107 2.014 6.358 1.00 0.00 O ATOM 1357 CB GLN A 88 2.449 4.807 5.751 1.00 0.00 C ATOM 1358 CG GLN A 88 3.854 5.034 5.160 1.00 0.00 C ATOM 1359 CD GLN A 88 4.872 3.979 5.598 1.00 0.00 C ATOM 1360 OE1 GLN A 88 5.040 3.686 6.768 1.00 0.00 O ATOM 1361 NE2 GLN A 88 5.642 3.397 4.705 1.00 0.00 N ATOM 0 H GLN A 88 1.022 5.626 3.916 1.00 0.00 H new ATOM 0 HA GLN A 88 2.243 3.130 4.390 1.00 0.00 H new ATOM 0 HB2 GLN A 88 1.936 5.765 5.840 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.543 4.401 6.758 1.00 0.00 H new ATOM 0 HG2 GLN A 88 3.787 5.035 4.072 1.00 0.00 H new ATOM 0 HG3 GLN A 88 4.211 6.020 5.458 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.531 3.617 3.715 1.00 0.00 H new ATOM 0 HE22 GLN A 88 6.350 2.726 5.002 1.00 0.00 H new