USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 520 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 27 THR OG1 : rot 162:sc= 0.902 USER MOD Set 1.2: A 29 HIS : no HE2:sc= -0.533 K(o=0.37,f=-3.3) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.206 K(o=-0.21,f=-1.9!) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 11 GLN : amide:sc= -1.98 K(o=-2,f=-4.8!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 169:sc= -0.0299 (180deg=-0.223) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 32 SER OG : rot -79:sc= 0.561 USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= -0.245 (180deg=-0.488) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -142:sc= -0.136 (180deg=-1.6!) USER MOD Single : A 52 LYS NZ :NH3+ -163:sc= -0.0851 (180deg=-0.401) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.6!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.432) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 6 0.935 -1.655 -2.400 1.00 11.54 N ATOM 2 CA TYR A 6 1.032 -1.987 -3.816 1.00 2.21 C ATOM 3 C TYR A 6 0.143 -3.178 -4.158 1.00 72.23 C ATOM 4 O TYR A 6 -0.513 -3.747 -3.286 1.00 54.21 O ATOM 5 CB TYR A 6 2.483 -2.295 -4.191 1.00 11.24 C ATOM 6 CG TYR A 6 3.480 -1.324 -3.600 1.00 0.13 C ATOM 7 CD1 TYR A 6 3.475 0.016 -3.967 1.00 1.44 C ATOM 8 CD2 TYR A 6 4.428 -1.747 -2.676 1.00 15.53 C ATOM 9 CE1 TYR A 6 4.385 0.907 -3.430 1.00 13.20 C ATOM 10 CE2 TYR A 6 5.340 -0.863 -2.133 1.00 12.41 C ATOM 11 CZ TYR A 6 5.315 0.463 -2.513 1.00 74.03 C ATOM 12 OH TYR A 6 6.223 1.346 -1.976 1.00 14.31 O ATOM 0 HA TYR A 6 0.691 -1.125 -4.389 1.00 2.21 H new ATOM 0 HB2 TYR A 6 2.729 -3.303 -3.858 1.00 11.24 H new ATOM 0 HB3 TYR A 6 2.579 -2.285 -5.277 1.00 11.24 H new ATOM 0 HD1 TYR A 6 2.748 0.367 -4.684 1.00 1.44 H new ATOM 0 HD2 TYR A 6 4.452 -2.785 -2.377 1.00 15.53 H new ATOM 0 HE1 TYR A 6 4.368 1.945 -3.727 1.00 13.20 H new ATOM 0 HE2 TYR A 6 6.069 -1.208 -1.415 1.00 12.41 H new ATOM 0 HH TYR A 6 6.806 0.873 -1.346 1.00 14.31 H new ATOM 22 N GLN A 7 0.128 -3.550 -5.434 1.00 50.23 N ATOM 23 CA GLN A 7 -0.680 -4.673 -5.893 1.00 33.42 C ATOM 24 C GLN A 7 -0.547 -5.862 -4.946 1.00 52.13 C ATOM 25 O GLN A 7 0.154 -5.789 -3.937 1.00 44.23 O ATOM 26 CB GLN A 7 -0.266 -5.084 -7.307 1.00 2.40 C ATOM 27 CG GLN A 7 -1.430 -5.172 -8.281 1.00 20.55 C ATOM 28 CD GLN A 7 -1.214 -6.220 -9.354 1.00 61.45 C ATOM 29 OE1 GLN A 7 -0.492 -7.197 -9.149 1.00 54.21 O ATOM 30 NE2 GLN A 7 -1.840 -6.023 -10.509 1.00 21.22 N ATOM 0 H GLN A 7 0.666 -3.090 -6.168 1.00 50.23 H new ATOM 0 HA GLN A 7 -1.723 -4.356 -5.906 1.00 33.42 H new ATOM 0 HB2 GLN A 7 0.461 -4.366 -7.687 1.00 2.40 H new ATOM 0 HB3 GLN A 7 0.234 -6.051 -7.263 1.00 2.40 H new ATOM 0 HG2 GLN A 7 -2.342 -5.403 -7.731 1.00 20.55 H new ATOM 0 HG3 GLN A 7 -1.579 -4.200 -8.752 1.00 20.55 H new ATOM 0 HE21 GLN A 7 -2.429 -5.200 -10.636 1.00 21.22 H new ATOM 0 HE22 GLN A 7 -1.732 -6.695 -11.269 1.00 21.22 H new ATOM 39 N ASP A 8 -1.225 -6.955 -5.278 1.00 52.14 N ATOM 40 CA ASP A 8 -1.182 -8.160 -4.458 1.00 52.02 C ATOM 41 C ASP A 8 0.190 -8.329 -3.813 1.00 33.50 C ATOM 42 O ASP A 8 0.298 -8.779 -2.673 1.00 33.24 O ATOM 43 CB ASP A 8 -1.518 -9.390 -5.303 1.00 44.02 C ATOM 44 CG ASP A 8 -2.840 -9.249 -6.031 1.00 33.53 C ATOM 45 OD1 ASP A 8 -3.622 -8.345 -5.671 1.00 4.53 O ATOM 46 OD2 ASP A 8 -3.094 -10.045 -6.959 1.00 74.04 O ATOM 0 H ASP A 8 -1.811 -7.031 -6.109 1.00 52.14 H new ATOM 0 HA ASP A 8 -1.925 -8.059 -3.667 1.00 52.02 H new ATOM 0 HB2 ASP A 8 -0.723 -9.556 -6.029 1.00 44.02 H new ATOM 0 HB3 ASP A 8 -1.552 -10.270 -4.661 1.00 44.02 H new ATOM 51 N GLN A 9 1.234 -7.967 -4.551 1.00 70.31 N ATOM 52 CA GLN A 9 2.599 -8.081 -4.051 1.00 32.43 C ATOM 53 C GLN A 9 2.703 -7.547 -2.626 1.00 33.31 C ATOM 54 O GLN A 9 3.282 -8.192 -1.753 1.00 21.04 O ATOM 55 CB GLN A 9 3.564 -7.324 -4.964 1.00 2.43 C ATOM 56 CG GLN A 9 4.965 -7.913 -4.990 1.00 43.25 C ATOM 57 CD GLN A 9 5.813 -7.351 -6.115 1.00 22.23 C ATOM 58 OE1 GLN A 9 5.529 -6.277 -6.645 1.00 50.20 O ATOM 59 NE2 GLN A 9 6.862 -8.077 -6.485 1.00 0.32 N ATOM 0 H GLN A 9 1.161 -7.592 -5.497 1.00 70.31 H new ATOM 0 HA GLN A 9 2.870 -9.137 -4.044 1.00 32.43 H new ATOM 0 HB2 GLN A 9 3.163 -7.318 -5.977 1.00 2.43 H new ATOM 0 HB3 GLN A 9 3.621 -6.286 -4.637 1.00 2.43 H new ATOM 0 HG2 GLN A 9 5.456 -7.716 -4.037 1.00 43.25 H new ATOM 0 HG3 GLN A 9 4.898 -8.996 -5.096 1.00 43.25 H new ATOM 0 HE21 GLN A 9 7.060 -8.962 -6.018 1.00 0.32 H new ATOM 0 HE22 GLN A 9 7.469 -7.750 -7.236 1.00 0.32 H new ATOM 68 N GLU A 10 2.138 -6.365 -2.400 1.00 33.45 N ATOM 69 CA GLU A 10 2.169 -5.745 -1.080 1.00 54.13 C ATOM 70 C GLU A 10 1.167 -6.411 -0.142 1.00 34.30 C ATOM 71 O GLU A 10 1.457 -6.638 1.032 1.00 0.22 O ATOM 72 CB GLU A 10 1.866 -4.249 -1.189 1.00 14.04 C ATOM 73 CG GLU A 10 2.090 -3.487 0.107 1.00 63.14 C ATOM 74 CD GLU A 10 0.796 -3.175 0.832 1.00 32.11 C ATOM 75 OE1 GLU A 10 0.010 -4.114 1.075 1.00 73.42 O ATOM 76 OE2 GLU A 10 0.569 -1.991 1.157 1.00 4.43 O ATOM 0 H GLU A 10 1.654 -5.818 -3.112 1.00 33.45 H new ATOM 0 HA GLU A 10 3.169 -5.877 -0.667 1.00 54.13 H new ATOM 0 HB2 GLU A 10 2.493 -3.816 -1.968 1.00 14.04 H new ATOM 0 HB3 GLU A 10 0.830 -4.118 -1.503 1.00 14.04 H new ATOM 0 HG2 GLU A 10 2.736 -4.072 0.761 1.00 63.14 H new ATOM 0 HG3 GLU A 10 2.614 -2.556 -0.109 1.00 63.14 H new ATOM 83 N GLN A 11 -0.013 -6.722 -0.670 1.00 12.35 N ATOM 84 CA GLN A 11 -1.059 -7.361 0.121 1.00 4.30 C ATOM 85 C GLN A 11 -0.579 -8.696 0.680 1.00 60.33 C ATOM 86 O GLN A 11 -1.008 -9.122 1.752 1.00 12.53 O ATOM 87 CB GLN A 11 -2.313 -7.571 -0.728 1.00 53.35 C ATOM 88 CG GLN A 11 -2.527 -9.015 -1.152 1.00 23.14 C ATOM 89 CD GLN A 11 -3.624 -9.164 -2.187 1.00 11.21 C ATOM 90 OE1 GLN A 11 -3.468 -9.881 -3.176 1.00 4.23 O ATOM 91 NE2 GLN A 11 -4.744 -8.485 -1.965 1.00 22.42 N ATOM 0 H GLN A 11 -0.268 -6.542 -1.641 1.00 12.35 H new ATOM 0 HA GLN A 11 -1.301 -6.704 0.956 1.00 4.30 H new ATOM 0 HB2 GLN A 11 -3.183 -7.234 -0.165 1.00 53.35 H new ATOM 0 HB3 GLN A 11 -2.248 -6.946 -1.618 1.00 53.35 H new ATOM 0 HG2 GLN A 11 -1.596 -9.413 -1.556 1.00 23.14 H new ATOM 0 HG3 GLN A 11 -2.776 -9.614 -0.276 1.00 23.14 H new ATOM 0 HE21 GLN A 11 -4.831 -7.903 -1.132 1.00 22.42 H new ATOM 0 HE22 GLN A 11 -5.517 -8.546 -2.627 1.00 22.42 H new ATOM 100 N ARG A 12 0.313 -9.353 -0.055 1.00 33.42 N ATOM 101 CA ARG A 12 0.849 -10.642 0.367 1.00 43.31 C ATOM 102 C ARG A 12 1.844 -10.468 1.511 1.00 35.34 C ATOM 103 O ARG A 12 1.684 -11.059 2.580 1.00 52.10 O ATOM 104 CB ARG A 12 1.528 -11.345 -0.810 1.00 33.41 C ATOM 105 CG ARG A 12 0.578 -12.190 -1.644 1.00 24.33 C ATOM 106 CD ARG A 12 0.173 -13.459 -0.911 1.00 74.50 C ATOM 107 NE ARG A 12 1.140 -14.536 -1.105 1.00 30.34 N ATOM 108 CZ ARG A 12 1.188 -15.294 -2.194 1.00 73.34 C ATOM 109 NH1 ARG A 12 0.328 -15.094 -3.183 1.00 53.15 N ATOM 110 NH2 ARG A 12 2.097 -16.255 -2.297 1.00 5.23 N ATOM 0 H ARG A 12 0.679 -9.014 -0.945 1.00 33.42 H new ATOM 0 HA ARG A 12 0.019 -11.255 0.719 1.00 43.31 H new ATOM 0 HB2 ARG A 12 1.993 -10.596 -1.451 1.00 33.41 H new ATOM 0 HB3 ARG A 12 2.328 -11.980 -0.430 1.00 33.41 H new ATOM 0 HG2 ARG A 12 -0.312 -11.608 -1.886 1.00 24.33 H new ATOM 0 HG3 ARG A 12 1.055 -12.451 -2.589 1.00 24.33 H new ATOM 0 HD2 ARG A 12 0.075 -13.247 0.154 1.00 74.50 H new ATOM 0 HD3 ARG A 12 -0.806 -13.784 -1.262 1.00 74.50 H new ATOM 0 HE ARG A 12 1.816 -14.716 -0.363 1.00 30.34 H new ATOM 0 HH11 ARG A 12 -0.373 -14.356 -3.108 1.00 53.15 H new ATOM 0 HH12 ARG A 12 0.367 -15.678 -4.019 1.00 53.15 H new ATOM 0 HH21 ARG A 12 2.761 -16.413 -1.539 1.00 5.23 H new ATOM 0 HH22 ARG A 12 2.132 -16.836 -3.134 1.00 5.23 H new ATOM 124 N ILE A 13 2.869 -9.656 1.279 1.00 12.45 N ATOM 125 CA ILE A 13 3.888 -9.405 2.291 1.00 51.41 C ATOM 126 C ILE A 13 3.271 -8.831 3.562 1.00 42.50 C ATOM 127 O ILE A 13 3.713 -9.134 4.671 1.00 13.22 O ATOM 128 CB ILE A 13 4.967 -8.435 1.774 1.00 1.12 C ATOM 129 CG1 ILE A 13 4.326 -7.127 1.306 1.00 44.21 C ATOM 130 CG2 ILE A 13 5.759 -9.077 0.645 1.00 22.11 C ATOM 131 CD1 ILE A 13 5.318 -6.142 0.726 1.00 34.04 C ATOM 0 H ILE A 13 3.016 -9.161 0.400 1.00 12.45 H new ATOM 0 HA ILE A 13 4.352 -10.365 2.517 1.00 51.41 H new ATOM 0 HB ILE A 13 5.653 -8.209 2.590 1.00 1.12 H new ATOM 0 HG12 ILE A 13 3.568 -7.351 0.556 1.00 44.21 H new ATOM 0 HG13 ILE A 13 3.813 -6.661 2.148 1.00 44.21 H new ATOM 0 HG21 ILE A 13 6.518 -8.379 0.290 1.00 22.11 H new ATOM 0 HG22 ILE A 13 6.242 -9.984 1.009 1.00 22.11 H new ATOM 0 HG23 ILE A 13 5.086 -9.329 -0.174 1.00 22.11 H new ATOM 0 HD11 ILE A 13 4.794 -5.238 0.415 1.00 34.04 H new ATOM 0 HD12 ILE A 13 6.063 -5.888 1.481 1.00 34.04 H new ATOM 0 HD13 ILE A 13 5.813 -6.589 -0.136 1.00 34.04 H new ATOM 143 N LEU A 14 2.247 -8.001 3.394 1.00 62.34 N ATOM 144 CA LEU A 14 1.567 -7.385 4.528 1.00 61.33 C ATOM 145 C LEU A 14 0.892 -8.441 5.397 1.00 61.51 C ATOM 146 O LEU A 14 1.037 -8.440 6.620 1.00 71.44 O ATOM 147 CB LEU A 14 0.530 -6.373 4.037 1.00 22.25 C ATOM 148 CG LEU A 14 0.948 -4.903 4.093 1.00 23.44 C ATOM 149 CD1 LEU A 14 0.929 -4.397 5.527 1.00 22.24 C ATOM 150 CD2 LEU A 14 2.328 -4.718 3.479 1.00 52.44 C ATOM 0 H LEU A 14 1.870 -7.739 2.483 1.00 62.34 H new ATOM 0 HA LEU A 14 2.313 -6.868 5.131 1.00 61.33 H new ATOM 0 HB2 LEU A 14 0.272 -6.618 3.007 1.00 22.25 H new ATOM 0 HB3 LEU A 14 -0.377 -6.495 4.630 1.00 22.25 H new ATOM 0 HG LEU A 14 0.233 -4.319 3.514 1.00 23.44 H new ATOM 0 HD11 LEU A 14 1.229 -3.349 5.547 1.00 22.24 H new ATOM 0 HD12 LEU A 14 -0.078 -4.494 5.934 1.00 22.24 H new ATOM 0 HD13 LEU A 14 1.622 -4.985 6.129 1.00 22.24 H new ATOM 0 HD21 LEU A 14 2.610 -3.666 3.527 1.00 52.44 H new ATOM 0 HD22 LEU A 14 3.055 -5.314 4.031 1.00 52.44 H new ATOM 0 HD23 LEU A 14 2.309 -5.041 2.438 1.00 52.44 H new ATOM 162 N LYS A 15 0.155 -9.344 4.758 1.00 42.43 N ATOM 163 CA LYS A 15 -0.540 -10.409 5.471 1.00 41.33 C ATOM 164 C LYS A 15 0.434 -11.500 5.904 1.00 43.44 C ATOM 165 O LYS A 15 0.116 -12.326 6.759 1.00 70.45 O ATOM 166 CB LYS A 15 -1.636 -11.010 4.588 1.00 13.15 C ATOM 167 CG LYS A 15 -2.898 -10.166 4.526 1.00 20.54 C ATOM 168 CD LYS A 15 -3.815 -10.448 5.705 1.00 52.32 C ATOM 169 CE LYS A 15 -4.653 -11.696 5.473 1.00 13.32 C ATOM 170 NZ LYS A 15 -5.881 -11.704 6.316 1.00 51.50 N ATOM 0 H LYS A 15 0.024 -9.359 3.747 1.00 42.43 H new ATOM 0 HA LYS A 15 -0.995 -9.978 6.363 1.00 41.33 H new ATOM 0 HB2 LYS A 15 -1.247 -11.141 3.578 1.00 13.15 H new ATOM 0 HB3 LYS A 15 -1.890 -12.002 4.963 1.00 13.15 H new ATOM 0 HG2 LYS A 15 -2.630 -9.109 4.516 1.00 20.54 H new ATOM 0 HG3 LYS A 15 -3.427 -10.369 3.595 1.00 20.54 H new ATOM 0 HD2 LYS A 15 -3.219 -10.571 6.609 1.00 52.32 H new ATOM 0 HD3 LYS A 15 -4.471 -9.593 5.870 1.00 52.32 H new ATOM 0 HE2 LYS A 15 -4.934 -11.755 4.421 1.00 13.32 H new ATOM 0 HE3 LYS A 15 -4.056 -12.581 5.693 1.00 13.32 H new ATOM 0 HZ1 LYS A 15 -6.425 -12.570 6.129 1.00 51.50 H new ATOM 0 HZ2 LYS A 15 -5.613 -11.674 7.320 1.00 51.50 H new ATOM 0 HZ3 LYS A 15 -6.464 -10.873 6.088 1.00 51.50 H new ATOM 184 N PHE A 16 1.623 -11.495 5.309 1.00 32.11 N ATOM 185 CA PHE A 16 2.644 -12.484 5.634 1.00 72.40 C ATOM 186 C PHE A 16 3.172 -12.276 7.050 1.00 34.25 C ATOM 187 O PHE A 16 3.000 -13.130 7.921 1.00 32.32 O ATOM 188 CB PHE A 16 3.797 -12.406 4.631 1.00 31.43 C ATOM 189 CG PHE A 16 4.614 -13.665 4.558 1.00 12.31 C ATOM 190 CD1 PHE A 16 5.531 -13.970 5.551 1.00 41.42 C ATOM 191 CD2 PHE A 16 4.464 -14.543 3.497 1.00 11.10 C ATOM 192 CE1 PHE A 16 6.284 -15.126 5.485 1.00 25.42 C ATOM 193 CE2 PHE A 16 5.214 -15.702 3.426 1.00 2.43 C ATOM 194 CZ PHE A 16 6.125 -15.994 4.422 1.00 30.14 C ATOM 0 H PHE A 16 1.903 -10.817 4.600 1.00 32.11 H new ATOM 0 HA PHE A 16 2.188 -13.472 5.577 1.00 72.40 H new ATOM 0 HB2 PHE A 16 3.394 -12.186 3.642 1.00 31.43 H new ATOM 0 HB3 PHE A 16 4.448 -11.575 4.902 1.00 31.43 H new ATOM 0 HD1 PHE A 16 5.658 -13.297 6.386 1.00 41.42 H new ATOM 0 HD2 PHE A 16 3.753 -14.319 2.716 1.00 11.10 H new ATOM 0 HE1 PHE A 16 6.997 -15.351 6.264 1.00 25.42 H new ATOM 0 HE2 PHE A 16 5.088 -16.378 2.593 1.00 2.43 H new ATOM 0 HZ PHE A 16 6.712 -16.899 4.370 1.00 30.14 H new ATOM 204 N LEU A 17 3.815 -11.136 7.274 1.00 42.23 N ATOM 205 CA LEU A 17 4.370 -10.814 8.584 1.00 14.12 C ATOM 206 C LEU A 17 3.259 -10.519 9.587 1.00 2.45 C ATOM 207 O LEU A 17 3.478 -10.556 10.798 1.00 40.43 O ATOM 208 CB LEU A 17 5.311 -9.613 8.480 1.00 24.14 C ATOM 209 CG LEU A 17 4.685 -8.244 8.747 1.00 42.21 C ATOM 210 CD1 LEU A 17 3.426 -8.062 7.914 1.00 15.24 C ATOM 211 CD2 LEU A 17 4.377 -8.078 10.228 1.00 53.53 C ATOM 0 H LEU A 17 3.965 -10.418 6.565 1.00 42.23 H new ATOM 0 HA LEU A 17 4.933 -11.679 8.936 1.00 14.12 H new ATOM 0 HB2 LEU A 17 6.132 -9.758 9.183 1.00 24.14 H new ATOM 0 HB3 LEU A 17 5.745 -9.603 7.480 1.00 24.14 H new ATOM 0 HG LEU A 17 5.401 -7.475 8.458 1.00 42.21 H new ATOM 0 HD11 LEU A 17 2.994 -7.082 8.117 1.00 15.24 H new ATOM 0 HD12 LEU A 17 3.676 -8.136 6.856 1.00 15.24 H new ATOM 0 HD13 LEU A 17 2.704 -8.837 8.171 1.00 15.24 H new ATOM 0 HD21 LEU A 17 3.932 -7.098 10.399 1.00 53.53 H new ATOM 0 HD22 LEU A 17 3.679 -8.854 10.544 1.00 53.53 H new ATOM 0 HD23 LEU A 17 5.299 -8.163 10.803 1.00 53.53 H new ATOM 223 N GLU A 18 2.068 -10.228 9.075 1.00 14.41 N ATOM 224 CA GLU A 18 0.923 -9.928 9.927 1.00 10.42 C ATOM 225 C GLU A 18 0.445 -11.180 10.657 1.00 1.31 C ATOM 226 O GLU A 18 0.080 -11.124 11.831 1.00 74.33 O ATOM 227 CB GLU A 18 -0.220 -9.341 9.096 1.00 1.12 C ATOM 228 CG GLU A 18 -0.260 -7.822 9.103 1.00 62.03 C ATOM 229 CD GLU A 18 -1.446 -7.266 8.338 1.00 24.22 C ATOM 230 OE1 GLU A 18 -2.574 -7.752 8.558 1.00 75.43 O ATOM 231 OE2 GLU A 18 -1.244 -6.344 7.520 1.00 22.31 O ATOM 0 H GLU A 18 1.870 -10.193 8.075 1.00 14.41 H new ATOM 0 HA GLU A 18 1.237 -9.194 10.669 1.00 10.42 H new ATOM 0 HB2 GLU A 18 -0.126 -9.689 8.067 1.00 1.12 H new ATOM 0 HB3 GLU A 18 -1.168 -9.723 9.476 1.00 1.12 H new ATOM 0 HG2 GLU A 18 -0.299 -7.468 10.133 1.00 62.03 H new ATOM 0 HG3 GLU A 18 0.662 -7.436 8.668 1.00 62.03 H new ATOM 238 N GLU A 19 0.451 -12.307 9.952 1.00 12.13 N ATOM 239 CA GLU A 19 0.016 -13.572 10.533 1.00 65.12 C ATOM 240 C GLU A 19 0.767 -13.862 11.829 1.00 23.03 C ATOM 241 O GLU A 19 0.187 -14.349 12.801 1.00 60.14 O ATOM 242 CB GLU A 19 0.232 -14.715 9.539 1.00 23.40 C ATOM 243 CG GLU A 19 -0.573 -15.963 9.862 1.00 4.12 C ATOM 244 CD GLU A 19 0.157 -16.900 10.806 1.00 53.43 C ATOM 245 OE1 GLU A 19 1.404 -16.937 10.759 1.00 51.01 O ATOM 246 OE2 GLU A 19 -0.521 -17.595 11.591 1.00 22.22 O ATOM 0 H GLU A 19 0.752 -12.370 8.979 1.00 12.13 H new ATOM 0 HA GLU A 19 -1.047 -13.492 10.760 1.00 65.12 H new ATOM 0 HB2 GLU A 19 -0.033 -14.371 8.539 1.00 23.40 H new ATOM 0 HB3 GLU A 19 1.291 -14.971 9.518 1.00 23.40 H new ATOM 0 HG2 GLU A 19 -1.524 -15.672 10.308 1.00 4.12 H new ATOM 0 HG3 GLU A 19 -0.803 -16.492 8.937 1.00 4.12 H new ATOM 253 N LEU A 20 2.061 -13.560 11.837 1.00 52.01 N ATOM 254 CA LEU A 20 2.893 -13.788 13.013 1.00 32.13 C ATOM 255 C LEU A 20 2.391 -12.974 14.201 1.00 11.15 C ATOM 256 O LEU A 20 2.594 -13.350 15.355 1.00 0.01 O ATOM 257 CB LEU A 20 4.348 -13.426 12.711 1.00 21.40 C ATOM 258 CG LEU A 20 4.769 -11.996 13.050 1.00 14.12 C ATOM 259 CD1 LEU A 20 5.249 -11.908 14.490 1.00 13.05 C ATOM 260 CD2 LEU A 20 5.852 -11.518 12.095 1.00 41.23 C ATOM 0 H LEU A 20 2.557 -13.157 11.042 1.00 52.01 H new ATOM 0 HA LEU A 20 2.834 -14.846 13.270 1.00 32.13 H new ATOM 0 HB2 LEU A 20 4.993 -14.113 13.259 1.00 21.40 H new ATOM 0 HB3 LEU A 20 4.531 -13.595 11.650 1.00 21.40 H new ATOM 0 HG LEU A 20 3.901 -11.346 12.938 1.00 14.12 H new ATOM 0 HD11 LEU A 20 5.544 -10.883 14.713 1.00 13.05 H new ATOM 0 HD12 LEU A 20 4.444 -12.208 15.161 1.00 13.05 H new ATOM 0 HD13 LEU A 20 6.103 -12.570 14.630 1.00 13.05 H new ATOM 0 HD21 LEU A 20 6.139 -10.498 12.352 1.00 41.23 H new ATOM 0 HD22 LEU A 20 6.721 -12.171 12.175 1.00 41.23 H new ATOM 0 HD23 LEU A 20 5.473 -11.542 11.073 1.00 41.23 H new ATOM 272 N GLY A 21 1.732 -11.856 13.911 1.00 72.24 N ATOM 273 CA GLY A 21 1.209 -11.008 14.965 1.00 11.53 C ATOM 274 C GLY A 21 0.898 -9.606 14.480 1.00 14.54 C ATOM 275 O GLY A 21 1.805 -8.824 14.200 1.00 3.52 O ATOM 0 H GLY A 21 1.551 -11.523 12.964 1.00 72.24 H new ATOM 0 HA2 GLY A 21 0.304 -11.457 15.373 1.00 11.53 H new ATOM 0 HA3 GLY A 21 1.933 -10.956 15.778 1.00 11.53 H new ATOM 279 N GLU A 22 -0.389 -9.288 14.380 1.00 54.22 N ATOM 280 CA GLU A 22 -0.817 -7.971 13.923 1.00 41.24 C ATOM 281 C GLU A 22 -0.641 -6.929 15.024 1.00 60.12 C ATOM 282 O GLU A 22 -1.336 -6.959 16.038 1.00 11.23 O ATOM 283 CB GLU A 22 -2.279 -8.012 13.474 1.00 71.25 C ATOM 284 CG GLU A 22 -2.677 -6.843 12.588 1.00 31.40 C ATOM 285 CD GLU A 22 -3.111 -5.629 13.385 1.00 2.33 C ATOM 286 OE1 GLU A 22 -3.747 -5.810 14.445 1.00 42.45 O ATOM 287 OE2 GLU A 22 -2.814 -4.497 12.949 1.00 5.44 O ATOM 0 H GLU A 22 -1.153 -9.924 14.609 1.00 54.22 H new ATOM 0 HA GLU A 22 -0.192 -7.689 13.076 1.00 41.24 H new ATOM 0 HB2 GLU A 22 -2.459 -8.943 12.936 1.00 71.25 H new ATOM 0 HB3 GLU A 22 -2.921 -8.024 14.355 1.00 71.25 H new ATOM 0 HG2 GLU A 22 -1.836 -6.572 11.950 1.00 31.40 H new ATOM 0 HG3 GLU A 22 -3.490 -7.151 11.930 1.00 31.40 H new ATOM 294 N GLY A 23 0.295 -6.008 14.815 1.00 23.22 N ATOM 295 CA GLY A 23 0.547 -4.970 15.798 1.00 60.51 C ATOM 296 C GLY A 23 1.443 -5.444 16.925 1.00 61.41 C ATOM 297 O GLY A 23 1.434 -4.876 18.017 1.00 41.42 O ATOM 0 H GLY A 23 0.883 -5.962 13.983 1.00 23.22 H new ATOM 0 HA2 GLY A 23 1.008 -4.113 15.307 1.00 60.51 H new ATOM 0 HA3 GLY A 23 -0.402 -4.628 16.212 1.00 60.51 H new ATOM 301 N LYS A 24 2.219 -6.491 16.662 1.00 52.42 N ATOM 302 CA LYS A 24 3.125 -7.042 17.662 1.00 61.52 C ATOM 303 C LYS A 24 4.572 -6.678 17.345 1.00 11.53 C ATOM 304 O LYS A 24 4.842 -5.928 16.408 1.00 53.34 O ATOM 305 CB LYS A 24 2.975 -8.564 17.732 1.00 43.14 C ATOM 306 CG LYS A 24 1.942 -9.028 18.744 1.00 43.41 C ATOM 307 CD LYS A 24 1.516 -10.464 18.488 1.00 4.43 C ATOM 308 CE LYS A 24 2.699 -11.417 18.559 1.00 4.13 C ATOM 309 NZ LYS A 24 3.412 -11.321 19.864 1.00 54.24 N ATOM 0 H LYS A 24 2.238 -6.975 15.764 1.00 52.42 H new ATOM 0 HA LYS A 24 2.864 -6.612 18.629 1.00 61.52 H new ATOM 0 HB2 LYS A 24 2.700 -8.939 16.746 1.00 43.14 H new ATOM 0 HB3 LYS A 24 3.940 -9.005 17.983 1.00 43.14 H new ATOM 0 HG2 LYS A 24 2.353 -8.943 19.750 1.00 43.41 H new ATOM 0 HG3 LYS A 24 1.070 -8.376 18.700 1.00 43.41 H new ATOM 0 HD2 LYS A 24 0.766 -10.758 19.222 1.00 4.43 H new ATOM 0 HD3 LYS A 24 1.048 -10.536 17.506 1.00 4.43 H new ATOM 0 HE2 LYS A 24 2.351 -12.439 18.410 1.00 4.13 H new ATOM 0 HE3 LYS A 24 3.393 -11.195 17.749 1.00 4.13 H new ATOM 0 HZ1 LYS A 24 4.089 -12.106 19.948 1.00 54.24 H new ATOM 0 HZ2 LYS A 24 3.923 -10.417 19.915 1.00 54.24 H new ATOM 0 HZ3 LYS A 24 2.723 -11.373 20.641 1.00 54.24 H new ATOM 323 N ALA A 25 5.499 -7.214 18.133 1.00 55.23 N ATOM 324 CA ALA A 25 6.918 -6.947 17.934 1.00 73.24 C ATOM 325 C ALA A 25 7.622 -8.153 17.322 1.00 64.21 C ATOM 326 O ALA A 25 7.156 -9.287 17.445 1.00 43.44 O ATOM 327 CB ALA A 25 7.573 -6.563 19.252 1.00 34.52 C ATOM 0 H ALA A 25 5.292 -7.836 18.915 1.00 55.23 H new ATOM 0 HA ALA A 25 7.012 -6.113 17.239 1.00 73.24 H new ATOM 0 HB1 ALA A 25 8.633 -6.366 19.088 1.00 34.52 H new ATOM 0 HB2 ALA A 25 7.095 -5.667 19.649 1.00 34.52 H new ATOM 0 HB3 ALA A 25 7.462 -7.380 19.965 1.00 34.52 H new ATOM 333 N THR A 26 8.749 -7.903 16.661 1.00 14.34 N ATOM 334 CA THR A 26 9.517 -8.968 16.029 1.00 53.43 C ATOM 335 C THR A 26 10.928 -8.501 15.691 1.00 22.41 C ATOM 336 O THR A 26 11.265 -7.330 15.866 1.00 44.11 O ATOM 337 CB THR A 26 8.832 -9.466 14.743 1.00 74.55 C ATOM 338 OG1 THR A 26 9.485 -10.648 14.266 1.00 21.11 O ATOM 339 CG2 THR A 26 8.861 -8.395 13.663 1.00 15.33 C ATOM 0 H THR A 26 9.150 -6.972 16.550 1.00 14.34 H new ATOM 0 HA THR A 26 9.570 -9.788 16.745 1.00 53.43 H new ATOM 0 HB THR A 26 7.792 -9.694 14.978 1.00 74.55 H new ATOM 0 HG1 THR A 26 9.042 -10.959 13.449 1.00 21.11 H new ATOM 0 HG21 THR A 26 8.371 -8.771 12.765 1.00 15.33 H new ATOM 0 HG22 THR A 26 8.338 -7.507 14.017 1.00 15.33 H new ATOM 0 HG23 THR A 26 9.895 -8.139 13.432 1.00 15.33 H new ATOM 347 N THR A 27 11.751 -9.425 15.205 1.00 24.42 N ATOM 348 CA THR A 27 13.127 -9.109 14.843 1.00 22.02 C ATOM 349 C THR A 27 13.306 -9.085 13.329 1.00 12.15 C ATOM 350 O THR A 27 12.456 -9.576 12.587 1.00 64.31 O ATOM 351 CB THR A 27 14.115 -10.124 15.449 1.00 1.31 C ATOM 352 OG1 THR A 27 13.487 -11.404 15.574 1.00 31.41 O ATOM 353 CG2 THR A 27 14.602 -9.657 16.813 1.00 50.24 C ATOM 0 H THR A 27 11.488 -10.399 15.053 1.00 24.42 H new ATOM 0 HA THR A 27 13.340 -8.119 15.247 1.00 22.02 H new ATOM 0 HB THR A 27 14.973 -10.205 14.782 1.00 1.31 H new ATOM 0 HG1 THR A 27 14.173 -12.097 15.671 1.00 31.41 H new ATOM 0 HG21 THR A 27 15.298 -10.390 17.221 1.00 50.24 H new ATOM 0 HG22 THR A 27 15.106 -8.696 16.710 1.00 50.24 H new ATOM 0 HG23 THR A 27 13.751 -9.551 17.486 1.00 50.24 H new ATOM 361 N ALA A 28 14.416 -8.511 12.878 1.00 2.34 N ATOM 362 CA ALA A 28 14.707 -8.425 11.453 1.00 62.33 C ATOM 363 C ALA A 28 15.180 -9.769 10.908 1.00 43.44 C ATOM 364 O ALA A 28 14.752 -10.201 9.837 1.00 31.42 O ATOM 365 CB ALA A 28 15.751 -7.350 11.191 1.00 41.15 C ATOM 0 H ALA A 28 15.129 -8.098 13.480 1.00 2.34 H new ATOM 0 HA ALA A 28 13.787 -8.155 10.935 1.00 62.33 H new ATOM 0 HB1 ALA A 28 15.958 -7.297 10.122 1.00 41.15 H new ATOM 0 HB2 ALA A 28 15.376 -6.387 11.536 1.00 41.15 H new ATOM 0 HB3 ALA A 28 16.668 -7.595 11.727 1.00 41.15 H new ATOM 371 N HIS A 29 16.067 -10.424 11.650 1.00 60.21 N ATOM 372 CA HIS A 29 16.599 -11.719 11.240 1.00 33.23 C ATOM 373 C HIS A 29 15.470 -12.683 10.887 1.00 52.31 C ATOM 374 O HIS A 29 15.627 -13.550 10.027 1.00 51.41 O ATOM 375 CB HIS A 29 17.463 -12.314 12.352 1.00 23.01 C ATOM 376 CG HIS A 29 16.670 -12.882 13.488 1.00 22.35 C ATOM 377 ND1 HIS A 29 16.066 -14.121 13.439 1.00 12.33 N ATOM 378 CD2 HIS A 29 16.385 -12.375 14.710 1.00 5.55 C ATOM 379 CE1 HIS A 29 15.442 -14.349 14.581 1.00 30.31 C ATOM 380 NE2 HIS A 29 15.621 -13.305 15.370 1.00 31.20 N ATOM 0 H HIS A 29 16.432 -10.080 12.538 1.00 60.21 H new ATOM 0 HA HIS A 29 17.214 -11.567 10.353 1.00 33.23 H new ATOM 0 HB2 HIS A 29 18.093 -13.098 11.931 1.00 23.01 H new ATOM 0 HB3 HIS A 29 18.130 -11.542 12.736 1.00 23.01 H new ATOM 0 HD1 HIS A 29 16.096 -14.761 12.645 1.00 12.33 H new ATOM 0 HD2 HIS A 29 16.700 -11.416 15.095 1.00 5.55 H new ATOM 0 HE1 HIS A 29 14.881 -15.238 14.828 1.00 30.31 H new ATOM 388 N ASP A 30 14.333 -12.525 11.556 1.00 21.52 N ATOM 389 CA ASP A 30 13.178 -13.381 11.313 1.00 73.33 C ATOM 390 C ASP A 30 12.396 -12.904 10.093 1.00 74.31 C ATOM 391 O ASP A 30 12.025 -13.701 9.229 1.00 12.34 O ATOM 392 CB ASP A 30 12.266 -13.406 12.541 1.00 44.43 C ATOM 393 CG ASP A 30 11.628 -14.763 12.761 1.00 24.15 C ATOM 394 OD1 ASP A 30 12.335 -15.782 12.613 1.00 42.43 O ATOM 395 OD2 ASP A 30 10.422 -14.807 13.082 1.00 20.01 O ATOM 0 H ASP A 30 14.187 -11.812 12.271 1.00 21.52 H new ATOM 0 HA ASP A 30 13.540 -14.391 11.119 1.00 73.33 H new ATOM 0 HB2 ASP A 30 12.843 -13.132 13.424 1.00 44.43 H new ATOM 0 HB3 ASP A 30 11.485 -12.655 12.425 1.00 44.43 H new ATOM 400 N LEU A 31 12.147 -11.601 10.029 1.00 42.15 N ATOM 401 CA LEU A 31 11.408 -11.017 8.915 1.00 72.03 C ATOM 402 C LEU A 31 12.121 -11.277 7.592 1.00 43.32 C ATOM 403 O LEU A 31 11.485 -11.556 6.576 1.00 34.10 O ATOM 404 CB LEU A 31 11.233 -9.512 9.126 1.00 32.21 C ATOM 405 CG LEU A 31 9.971 -9.082 9.875 1.00 52.13 C ATOM 406 CD1 LEU A 31 9.952 -7.573 10.066 1.00 20.31 C ATOM 407 CD2 LEU A 31 8.726 -9.542 9.130 1.00 20.43 C ATOM 0 H LEU A 31 12.446 -10.929 10.735 1.00 42.15 H new ATOM 0 HA LEU A 31 10.426 -11.489 8.876 1.00 72.03 H new ATOM 0 HB2 LEU A 31 12.100 -9.138 9.671 1.00 32.21 H new ATOM 0 HB3 LEU A 31 11.236 -9.026 8.150 1.00 32.21 H new ATOM 0 HG LEU A 31 9.977 -9.553 10.858 1.00 52.13 H new ATOM 0 HD11 LEU A 31 9.047 -7.285 10.601 1.00 20.31 H new ATOM 0 HD12 LEU A 31 10.826 -7.268 10.642 1.00 20.31 H new ATOM 0 HD13 LEU A 31 9.970 -7.083 9.093 1.00 20.31 H new ATOM 0 HD21 LEU A 31 7.837 -9.227 9.677 1.00 20.43 H new ATOM 0 HD22 LEU A 31 8.714 -9.100 8.134 1.00 20.43 H new ATOM 0 HD23 LEU A 31 8.734 -10.629 9.045 1.00 20.43 H new ATOM 419 N SER A 32 13.447 -11.184 7.612 1.00 22.43 N ATOM 420 CA SER A 32 14.248 -11.408 6.414 1.00 14.21 C ATOM 421 C SER A 32 13.866 -12.724 5.743 1.00 10.14 C ATOM 422 O SER A 32 13.911 -12.846 4.520 1.00 33.00 O ATOM 423 CB SER A 32 15.737 -11.414 6.764 1.00 50.42 C ATOM 424 OG SER A 32 16.132 -12.668 7.293 1.00 53.52 O ATOM 0 H SER A 32 13.989 -10.955 8.445 1.00 22.43 H new ATOM 0 HA SER A 32 14.049 -10.594 5.717 1.00 14.21 H new ATOM 0 HB2 SER A 32 16.324 -11.191 5.873 1.00 50.42 H new ATOM 0 HB3 SER A 32 15.946 -10.628 7.489 1.00 50.42 H new ATOM 0 HG SER A 32 15.866 -12.724 8.234 1.00 53.52 H new ATOM 430 N GLY A 33 13.490 -13.708 6.555 1.00 2.42 N ATOM 431 CA GLY A 33 13.106 -15.002 6.024 1.00 62.23 C ATOM 432 C GLY A 33 11.637 -15.066 5.657 1.00 13.31 C ATOM 433 O GLY A 33 11.245 -15.806 4.755 1.00 64.33 O ATOM 0 H GLY A 33 13.445 -13.631 7.571 1.00 2.42 H new ATOM 0 HA2 GLY A 33 13.707 -15.222 5.142 1.00 62.23 H new ATOM 0 HA3 GLY A 33 13.327 -15.774 6.761 1.00 62.23 H new ATOM 437 N LYS A 34 10.819 -14.288 6.359 1.00 23.52 N ATOM 438 CA LYS A 34 9.384 -14.259 6.104 1.00 10.30 C ATOM 439 C LYS A 34 9.074 -13.482 4.828 1.00 2.14 C ATOM 440 O LYS A 34 8.436 -14.002 3.912 1.00 14.13 O ATOM 441 CB LYS A 34 8.647 -13.629 7.289 1.00 65.33 C ATOM 442 CG LYS A 34 8.706 -14.466 8.555 1.00 13.21 C ATOM 443 CD LYS A 34 7.358 -14.513 9.255 1.00 53.22 C ATOM 444 CE LYS A 34 7.254 -15.713 10.184 1.00 55.42 C ATOM 445 NZ LYS A 34 6.332 -15.452 11.325 1.00 64.44 N ATOM 0 H LYS A 34 11.126 -13.669 7.109 1.00 23.52 H new ATOM 0 HA LYS A 34 9.042 -15.286 5.976 1.00 10.30 H new ATOM 0 HB2 LYS A 34 9.075 -12.647 7.492 1.00 65.33 H new ATOM 0 HB3 LYS A 34 7.604 -13.472 7.015 1.00 65.33 H new ATOM 0 HG2 LYS A 34 9.024 -15.479 8.308 1.00 13.21 H new ATOM 0 HG3 LYS A 34 9.454 -14.052 9.231 1.00 13.21 H new ATOM 0 HD2 LYS A 34 7.211 -13.596 9.826 1.00 53.22 H new ATOM 0 HD3 LYS A 34 6.562 -14.557 8.512 1.00 53.22 H new ATOM 0 HE2 LYS A 34 6.901 -16.578 9.622 1.00 55.42 H new ATOM 0 HE3 LYS A 34 8.244 -15.963 10.566 1.00 55.42 H new ATOM 0 HZ1 LYS A 34 6.440 -16.202 12.037 1.00 64.44 H new ATOM 0 HZ2 LYS A 34 6.561 -14.532 11.753 1.00 64.44 H new ATOM 0 HZ3 LYS A 34 5.350 -15.440 10.982 1.00 64.44 H new ATOM 459 N LEU A 35 9.531 -12.236 4.774 1.00 1.24 N ATOM 460 CA LEU A 35 9.304 -11.387 3.610 1.00 61.45 C ATOM 461 C LEU A 35 10.132 -11.863 2.420 1.00 3.50 C ATOM 462 O LEU A 35 9.813 -11.565 1.270 1.00 42.22 O ATOM 463 CB LEU A 35 9.649 -9.934 3.938 1.00 41.33 C ATOM 464 CG LEU A 35 8.888 -9.311 5.109 1.00 60.14 C ATOM 465 CD1 LEU A 35 9.656 -8.126 5.675 1.00 75.53 C ATOM 466 CD2 LEU A 35 7.493 -8.886 4.673 1.00 64.24 C ATOM 0 H LEU A 35 10.061 -11.791 5.523 1.00 1.24 H new ATOM 0 HA LEU A 35 8.249 -11.451 3.344 1.00 61.45 H new ATOM 0 HB2 LEU A 35 10.716 -9.874 4.151 1.00 41.33 H new ATOM 0 HB3 LEU A 35 9.467 -9.329 3.050 1.00 41.33 H new ATOM 0 HG LEU A 35 8.789 -10.061 5.893 1.00 60.14 H new ATOM 0 HD11 LEU A 35 9.099 -7.696 6.507 1.00 75.53 H new ATOM 0 HD12 LEU A 35 10.633 -8.459 6.026 1.00 75.53 H new ATOM 0 HD13 LEU A 35 9.787 -7.373 4.898 1.00 75.53 H new ATOM 0 HD21 LEU A 35 6.966 -8.445 5.519 1.00 64.24 H new ATOM 0 HD22 LEU A 35 7.570 -8.152 3.871 1.00 64.24 H new ATOM 0 HD23 LEU A 35 6.942 -9.756 4.316 1.00 64.24 H new ATOM 478 N GLY A 36 11.197 -12.606 2.706 1.00 44.52 N ATOM 479 CA GLY A 36 12.054 -13.112 1.649 1.00 13.03 C ATOM 480 C GLY A 36 12.972 -12.045 1.086 1.00 72.51 C ATOM 481 O GLY A 36 13.393 -12.124 -0.069 1.00 23.24 O ATOM 0 H GLY A 36 11.482 -12.867 3.650 1.00 44.52 H new ATOM 0 HA2 GLY A 36 12.654 -13.936 2.035 1.00 13.03 H new ATOM 0 HA3 GLY A 36 11.436 -13.516 0.847 1.00 13.03 H new ATOM 485 N THR A 37 13.282 -11.043 1.902 1.00 44.23 N ATOM 486 CA THR A 37 14.154 -9.954 1.478 1.00 72.34 C ATOM 487 C THR A 37 15.456 -9.952 2.270 1.00 63.25 C ATOM 488 O THR A 37 15.545 -10.503 3.367 1.00 75.31 O ATOM 489 CB THR A 37 13.465 -8.586 1.641 1.00 35.53 C ATOM 490 OG1 THR A 37 12.629 -8.595 2.804 1.00 75.22 O ATOM 491 CG2 THR A 37 12.631 -8.250 0.414 1.00 63.02 C ATOM 0 H THR A 37 12.942 -10.963 2.860 1.00 44.23 H new ATOM 0 HA THR A 37 14.374 -10.118 0.423 1.00 72.34 H new ATOM 0 HB THR A 37 14.238 -7.826 1.754 1.00 35.53 H new ATOM 0 HG1 THR A 37 12.196 -7.722 2.902 1.00 75.22 H new ATOM 0 HG21 THR A 37 12.154 -7.280 0.553 1.00 63.02 H new ATOM 0 HG22 THR A 37 13.274 -8.216 -0.465 1.00 63.02 H new ATOM 0 HG23 THR A 37 11.866 -9.013 0.274 1.00 63.02 H new ATOM 499 N PRO A 38 16.493 -9.318 1.703 1.00 42.51 N ATOM 500 CA PRO A 38 17.810 -9.227 2.340 1.00 23.53 C ATOM 501 C PRO A 38 17.800 -8.322 3.567 1.00 50.21 C ATOM 502 O PRO A 38 16.897 -7.503 3.740 1.00 74.41 O ATOM 503 CB PRO A 38 18.695 -8.631 1.243 1.00 64.32 C ATOM 504 CG PRO A 38 17.756 -7.877 0.367 1.00 51.04 C ATOM 505 CD PRO A 38 16.460 -8.638 0.397 1.00 73.53 C ATOM 0 HA PRO A 38 18.153 -10.195 2.704 1.00 23.53 H new ATOM 0 HB2 PRO A 38 19.458 -7.975 1.663 1.00 64.32 H new ATOM 0 HB3 PRO A 38 19.215 -9.411 0.687 1.00 64.32 H new ATOM 0 HG2 PRO A 38 17.618 -6.858 0.728 1.00 51.04 H new ATOM 0 HG3 PRO A 38 18.143 -7.805 -0.649 1.00 51.04 H new ATOM 0 HD2 PRO A 38 15.601 -7.972 0.312 1.00 73.53 H new ATOM 0 HD3 PRO A 38 16.393 -9.350 -0.425 1.00 73.53 H new ATOM 513 N LYS A 39 18.810 -8.473 4.417 1.00 42.23 N ATOM 514 CA LYS A 39 18.919 -7.668 5.627 1.00 3.43 C ATOM 515 C LYS A 39 18.908 -6.179 5.294 1.00 70.24 C ATOM 516 O LYS A 39 18.230 -5.390 5.952 1.00 42.21 O ATOM 517 CB LYS A 39 20.200 -8.021 6.386 1.00 24.20 C ATOM 518 CG LYS A 39 20.178 -7.603 7.846 1.00 52.20 C ATOM 519 CD LYS A 39 20.882 -6.273 8.056 1.00 43.11 C ATOM 520 CE LYS A 39 20.801 -5.822 9.506 1.00 11.12 C ATOM 521 NZ LYS A 39 21.631 -4.612 9.758 1.00 4.22 N ATOM 0 H LYS A 39 19.565 -9.146 4.290 1.00 42.23 H new ATOM 0 HA LYS A 39 18.057 -7.888 6.257 1.00 3.43 H new ATOM 0 HB2 LYS A 39 20.362 -9.097 6.328 1.00 24.20 H new ATOM 0 HB3 LYS A 39 21.047 -7.544 5.893 1.00 24.20 H new ATOM 0 HG2 LYS A 39 19.146 -7.527 8.188 1.00 52.20 H new ATOM 0 HG3 LYS A 39 20.659 -8.370 8.452 1.00 52.20 H new ATOM 0 HD2 LYS A 39 21.927 -6.363 7.760 1.00 43.11 H new ATOM 0 HD3 LYS A 39 20.432 -5.517 7.413 1.00 43.11 H new ATOM 0 HE2 LYS A 39 19.763 -5.610 9.763 1.00 11.12 H new ATOM 0 HE3 LYS A 39 21.132 -6.631 10.157 1.00 11.12 H new ATOM 0 HZ1 LYS A 39 21.549 -4.337 10.757 1.00 4.22 H new ATOM 0 HZ2 LYS A 39 22.626 -4.821 9.537 1.00 4.22 H new ATOM 0 HZ3 LYS A 39 21.299 -3.832 9.156 1.00 4.22 H new ATOM 535 N LYS A 40 19.662 -5.802 4.266 1.00 34.13 N ATOM 536 CA LYS A 40 19.737 -4.409 3.843 1.00 53.04 C ATOM 537 C LYS A 40 18.352 -3.870 3.496 1.00 64.30 C ATOM 538 O LYS A 40 18.131 -2.660 3.493 1.00 11.00 O ATOM 539 CB LYS A 40 20.666 -4.271 2.635 1.00 63.33 C ATOM 540 CG LYS A 40 20.228 -5.090 1.433 1.00 33.21 C ATOM 541 CD LYS A 40 21.067 -4.775 0.207 1.00 44.33 C ATOM 542 CE LYS A 40 22.353 -5.587 0.188 1.00 44.33 C ATOM 543 NZ LYS A 40 23.200 -5.257 -0.992 1.00 42.10 N ATOM 0 H LYS A 40 20.230 -6.442 3.711 1.00 34.13 H new ATOM 0 HA LYS A 40 20.138 -3.825 4.671 1.00 53.04 H new ATOM 0 HB2 LYS A 40 20.721 -3.221 2.348 1.00 63.33 H new ATOM 0 HB3 LYS A 40 21.672 -4.575 2.924 1.00 63.33 H new ATOM 0 HG2 LYS A 40 20.308 -6.152 1.667 1.00 33.21 H new ATOM 0 HG3 LYS A 40 19.178 -4.889 1.218 1.00 33.21 H new ATOM 0 HD2 LYS A 40 20.490 -4.984 -0.694 1.00 44.33 H new ATOM 0 HD3 LYS A 40 21.307 -3.712 0.192 1.00 44.33 H new ATOM 0 HE2 LYS A 40 22.915 -5.398 1.103 1.00 44.33 H new ATOM 0 HE3 LYS A 40 22.111 -6.650 0.176 1.00 44.33 H new ATOM 0 HZ1 LYS A 40 24.067 -5.831 -0.969 1.00 42.10 H new ATOM 0 HZ2 LYS A 40 22.673 -5.461 -1.865 1.00 42.10 H new ATOM 0 HZ3 LYS A 40 23.452 -4.248 -0.967 1.00 42.10 H new ATOM 557 N GLU A 41 17.425 -4.777 3.206 1.00 32.40 N ATOM 558 CA GLU A 41 16.062 -4.391 2.859 1.00 61.50 C ATOM 559 C GLU A 41 15.272 -4.005 4.106 1.00 73.41 C ATOM 560 O GLU A 41 14.858 -2.856 4.260 1.00 4.32 O ATOM 561 CB GLU A 41 15.355 -5.534 2.127 1.00 23.53 C ATOM 562 CG GLU A 41 14.038 -5.126 1.490 1.00 72.52 C ATOM 563 CD GLU A 41 14.155 -3.855 0.672 1.00 74.02 C ATOM 564 OE1 GLU A 41 14.561 -3.942 -0.506 1.00 10.43 O ATOM 565 OE2 GLU A 41 13.839 -2.773 1.210 1.00 30.10 O ATOM 0 H GLU A 41 17.592 -5.783 3.204 1.00 32.40 H new ATOM 0 HA GLU A 41 16.114 -3.524 2.200 1.00 61.50 H new ATOM 0 HB2 GLU A 41 16.017 -5.924 1.354 1.00 23.53 H new ATOM 0 HB3 GLU A 41 15.172 -6.347 2.830 1.00 23.53 H new ATOM 0 HG2 GLU A 41 13.682 -5.934 0.850 1.00 72.52 H new ATOM 0 HG3 GLU A 41 13.290 -4.984 2.270 1.00 72.52 H new ATOM 572 N ILE A 42 15.065 -4.974 4.992 1.00 43.03 N ATOM 573 CA ILE A 42 14.325 -4.736 6.225 1.00 43.23 C ATOM 574 C ILE A 42 15.064 -3.754 7.128 1.00 54.20 C ATOM 575 O ILE A 42 14.460 -3.107 7.983 1.00 12.30 O ATOM 576 CB ILE A 42 14.084 -6.046 6.998 1.00 11.53 C ATOM 577 CG1 ILE A 42 15.351 -6.903 7.000 1.00 72.41 C ATOM 578 CG2 ILE A 42 12.919 -6.813 6.391 1.00 50.54 C ATOM 579 CD1 ILE A 42 15.282 -8.084 6.057 1.00 43.15 C ATOM 0 H ILE A 42 15.399 -5.931 4.879 1.00 43.03 H new ATOM 0 HA ILE A 42 13.363 -4.310 5.939 1.00 43.23 H new ATOM 0 HB ILE A 42 13.833 -5.801 8.030 1.00 11.53 H new ATOM 0 HG12 ILE A 42 16.202 -6.279 6.727 1.00 72.41 H new ATOM 0 HG13 ILE A 42 15.533 -7.266 8.012 1.00 72.41 H new ATOM 0 HG21 ILE A 42 12.761 -7.736 6.948 1.00 50.54 H new ATOM 0 HG22 ILE A 42 12.017 -6.202 6.438 1.00 50.54 H new ATOM 0 HG23 ILE A 42 13.142 -7.051 5.351 1.00 50.54 H new ATOM 0 HD11 ILE A 42 16.214 -8.647 6.110 1.00 43.15 H new ATOM 0 HD12 ILE A 42 14.451 -8.729 6.342 1.00 43.15 H new ATOM 0 HD13 ILE A 42 15.131 -7.728 5.038 1.00 43.15 H new ATOM 591 N ALA A 43 16.374 -3.647 6.931 1.00 55.23 N ATOM 592 CA ALA A 43 17.194 -2.741 7.725 1.00 41.45 C ATOM 593 C ALA A 43 17.025 -1.298 7.260 1.00 3.13 C ATOM 594 O ALA A 43 17.276 -0.359 8.016 1.00 24.33 O ATOM 595 CB ALA A 43 18.657 -3.153 7.652 1.00 51.21 C ATOM 0 H ALA A 43 16.890 -4.177 6.228 1.00 55.23 H new ATOM 0 HA ALA A 43 16.862 -2.803 8.761 1.00 41.45 H new ATOM 0 HB1 ALA A 43 19.258 -2.468 8.250 1.00 51.21 H new ATOM 0 HB2 ALA A 43 18.769 -4.166 8.039 1.00 51.21 H new ATOM 0 HB3 ALA A 43 18.993 -3.121 6.616 1.00 51.21 H new ATOM 601 N ARG A 44 16.599 -1.129 6.013 1.00 43.41 N ATOM 602 CA ARG A 44 16.399 0.200 5.448 1.00 40.34 C ATOM 603 C ARG A 44 15.004 0.725 5.774 1.00 51.23 C ATOM 604 O ARG A 44 14.846 1.857 6.231 1.00 42.54 O ATOM 605 CB ARG A 44 16.602 0.169 3.932 1.00 63.13 C ATOM 606 CG ARG A 44 17.836 0.925 3.467 1.00 51.51 C ATOM 607 CD ARG A 44 18.091 0.716 1.982 1.00 2.55 C ATOM 608 NE ARG A 44 19.243 -0.149 1.742 1.00 52.34 N ATOM 609 CZ ARG A 44 19.648 -0.513 0.530 1.00 11.30 C ATOM 610 NH1 ARG A 44 18.998 -0.088 -0.545 1.00 64.31 N ATOM 611 NH2 ARG A 44 20.705 -1.303 0.392 1.00 2.51 N ATOM 0 H ARG A 44 16.386 -1.895 5.375 1.00 43.41 H new ATOM 0 HA ARG A 44 17.134 0.871 5.893 1.00 40.34 H new ATOM 0 HB2 ARG A 44 16.677 -0.868 3.605 1.00 63.13 H new ATOM 0 HB3 ARG A 44 15.723 0.593 3.447 1.00 63.13 H new ATOM 0 HG2 ARG A 44 17.710 1.989 3.669 1.00 51.51 H new ATOM 0 HG3 ARG A 44 18.704 0.593 4.037 1.00 51.51 H new ATOM 0 HD2 ARG A 44 17.206 0.278 1.520 1.00 2.55 H new ATOM 0 HD3 ARG A 44 18.256 1.681 1.503 1.00 2.55 H new ATOM 0 HE ARG A 44 19.765 -0.492 2.548 1.00 52.34 H new ATOM 0 HH11 ARG A 44 18.185 0.520 -0.442 1.00 64.31 H new ATOM 0 HH12 ARG A 44 19.311 -0.369 -1.474 1.00 64.31 H new ATOM 0 HH21 ARG A 44 21.207 -1.631 1.217 1.00 2.51 H new ATOM 0 HH22 ARG A 44 21.015 -1.582 -0.539 1.00 2.51 H new ATOM 625 N VAL A 45 13.994 -0.106 5.535 1.00 11.53 N ATOM 626 CA VAL A 45 12.612 0.274 5.804 1.00 40.11 C ATOM 627 C VAL A 45 12.400 0.564 7.286 1.00 73.54 C ATOM 628 O VAL A 45 11.658 1.476 7.651 1.00 11.42 O ATOM 629 CB VAL A 45 11.631 -0.828 5.362 1.00 41.03 C ATOM 630 CG1 VAL A 45 11.962 -2.145 6.048 1.00 43.53 C ATOM 631 CG2 VAL A 45 10.197 -0.412 5.652 1.00 50.00 C ATOM 0 H VAL A 45 14.107 -1.046 5.156 1.00 11.53 H new ATOM 0 HA VAL A 45 12.414 1.178 5.228 1.00 40.11 H new ATOM 0 HB VAL A 45 11.733 -0.971 4.286 1.00 41.03 H new ATOM 0 HG11 VAL A 45 11.258 -2.911 5.723 1.00 43.53 H new ATOM 0 HG12 VAL A 45 12.975 -2.448 5.785 1.00 43.53 H new ATOM 0 HG13 VAL A 45 11.890 -2.021 7.128 1.00 43.53 H new ATOM 0 HG21 VAL A 45 9.517 -1.202 5.333 1.00 50.00 H new ATOM 0 HG22 VAL A 45 10.077 -0.240 6.722 1.00 50.00 H new ATOM 0 HG23 VAL A 45 9.967 0.505 5.109 1.00 50.00 H new ATOM 641 N LEU A 46 13.056 -0.219 8.135 1.00 13.03 N ATOM 642 CA LEU A 46 12.940 -0.047 9.579 1.00 12.13 C ATOM 643 C LEU A 46 13.474 1.315 10.010 1.00 53.50 C ATOM 644 O LEU A 46 12.845 2.018 10.801 1.00 72.12 O ATOM 645 CB LEU A 46 13.698 -1.158 10.308 1.00 41.03 C ATOM 646 CG LEU A 46 14.000 -0.907 11.785 1.00 24.14 C ATOM 647 CD1 LEU A 46 13.748 -2.164 12.603 1.00 64.52 C ATOM 648 CD2 LEU A 46 15.435 -0.432 11.963 1.00 1.11 C ATOM 0 H LEU A 46 13.673 -0.979 7.849 1.00 13.03 H new ATOM 0 HA LEU A 46 11.884 -0.103 9.842 1.00 12.13 H new ATOM 0 HB2 LEU A 46 13.119 -2.078 10.227 1.00 41.03 H new ATOM 0 HB3 LEU A 46 14.641 -1.328 9.789 1.00 41.03 H new ATOM 0 HG LEU A 46 13.332 -0.124 12.144 1.00 24.14 H new ATOM 0 HD11 LEU A 46 13.968 -1.966 13.652 1.00 64.52 H new ATOM 0 HD12 LEU A 46 12.704 -2.461 12.501 1.00 64.52 H new ATOM 0 HD13 LEU A 46 14.391 -2.967 12.243 1.00 64.52 H new ATOM 0 HD21 LEU A 46 15.632 -0.258 13.021 1.00 1.11 H new ATOM 0 HD22 LEU A 46 16.119 -1.192 11.586 1.00 1.11 H new ATOM 0 HD23 LEU A 46 15.583 0.495 11.409 1.00 1.11 H new ATOM 660 N ALA A 47 14.637 1.683 9.482 1.00 12.24 N ATOM 661 CA ALA A 47 15.253 2.963 9.809 1.00 41.12 C ATOM 662 C ALA A 47 14.434 4.124 9.255 1.00 71.01 C ATOM 663 O ALA A 47 14.516 5.247 9.752 1.00 33.14 O ATOM 664 CB ALA A 47 16.676 3.016 9.273 1.00 61.32 C ATOM 0 H ALA A 47 15.171 1.113 8.826 1.00 12.24 H new ATOM 0 HA ALA A 47 15.281 3.058 10.895 1.00 41.12 H new ATOM 0 HB1 ALA A 47 17.124 3.977 9.524 1.00 61.32 H new ATOM 0 HB2 ALA A 47 17.263 2.214 9.720 1.00 61.32 H new ATOM 0 HB3 ALA A 47 16.662 2.895 8.190 1.00 61.32 H new ATOM 670 N SER A 48 13.645 3.846 8.222 1.00 61.31 N ATOM 671 CA SER A 48 12.814 4.868 7.597 1.00 3.53 C ATOM 672 C SER A 48 11.519 5.068 8.378 1.00 31.34 C ATOM 673 O SER A 48 11.059 6.195 8.564 1.00 2.31 O ATOM 674 CB SER A 48 12.497 4.485 6.151 1.00 70.53 C ATOM 675 OG SER A 48 12.358 5.636 5.336 1.00 24.22 O ATOM 0 H SER A 48 13.564 2.921 7.800 1.00 61.31 H new ATOM 0 HA SER A 48 13.370 5.806 7.603 1.00 3.53 H new ATOM 0 HB2 SER A 48 13.291 3.851 5.757 1.00 70.53 H new ATOM 0 HB3 SER A 48 11.577 3.901 6.120 1.00 70.53 H new ATOM 0 HG SER A 48 12.157 5.363 4.416 1.00 24.22 H new ATOM 681 N LEU A 49 10.935 3.965 8.834 1.00 73.13 N ATOM 682 CA LEU A 49 9.692 4.016 9.595 1.00 14.44 C ATOM 683 C LEU A 49 9.867 4.836 10.870 1.00 64.31 C ATOM 684 O LEU A 49 9.018 5.658 11.213 1.00 23.43 O ATOM 685 CB LEU A 49 9.226 2.602 9.945 1.00 72.11 C ATOM 686 CG LEU A 49 8.725 1.752 8.777 1.00 54.35 C ATOM 687 CD1 LEU A 49 9.116 0.295 8.969 1.00 0.54 C ATOM 688 CD2 LEU A 49 7.216 1.886 8.628 1.00 10.05 C ATOM 0 H LEU A 49 11.303 3.025 8.690 1.00 73.13 H new ATOM 0 HA LEU A 49 8.936 4.498 8.975 1.00 14.44 H new ATOM 0 HB2 LEU A 49 10.053 2.076 10.422 1.00 72.11 H new ATOM 0 HB3 LEU A 49 8.427 2.676 10.683 1.00 72.11 H new ATOM 0 HG LEU A 49 9.194 2.115 7.862 1.00 54.35 H new ATOM 0 HD11 LEU A 49 8.751 -0.294 8.128 1.00 0.54 H new ATOM 0 HD12 LEU A 49 10.202 0.214 9.024 1.00 0.54 H new ATOM 0 HD13 LEU A 49 8.677 -0.081 9.893 1.00 0.54 H new ATOM 0 HD21 LEU A 49 6.877 1.274 7.792 1.00 10.05 H new ATOM 0 HD22 LEU A 49 6.729 1.551 9.544 1.00 10.05 H new ATOM 0 HD23 LEU A 49 6.960 2.929 8.442 1.00 10.05 H new ATOM 700 N ALA A 50 10.976 4.607 11.566 1.00 62.10 N ATOM 701 CA ALA A 50 11.266 5.327 12.800 1.00 74.30 C ATOM 702 C ALA A 50 11.192 6.835 12.586 1.00 21.31 C ATOM 703 O ALA A 50 10.616 7.560 13.397 1.00 53.11 O ATOM 704 CB ALA A 50 12.636 4.933 13.331 1.00 11.35 C ATOM 0 H ALA A 50 11.688 3.929 11.296 1.00 62.10 H new ATOM 0 HA ALA A 50 10.511 5.054 13.537 1.00 74.30 H new ATOM 0 HB1 ALA A 50 12.840 5.478 14.253 1.00 11.35 H new ATOM 0 HB2 ALA A 50 12.654 3.862 13.531 1.00 11.35 H new ATOM 0 HB3 ALA A 50 13.397 5.176 12.590 1.00 11.35 H new ATOM 710 N LYS A 51 11.780 7.301 11.490 1.00 41.42 N ATOM 711 CA LYS A 51 11.781 8.724 11.168 1.00 63.51 C ATOM 712 C LYS A 51 10.357 9.248 11.016 1.00 41.21 C ATOM 713 O LYS A 51 10.113 10.451 11.116 1.00 64.14 O ATOM 714 CB LYS A 51 12.569 8.975 9.880 1.00 0.32 C ATOM 715 CG LYS A 51 13.028 10.414 9.719 1.00 11.35 C ATOM 716 CD LYS A 51 14.135 10.534 8.685 1.00 13.44 C ATOM 717 CE LYS A 51 13.574 10.596 7.273 1.00 73.41 C ATOM 718 NZ LYS A 51 13.184 9.248 6.772 1.00 2.40 N ATOM 0 H LYS A 51 12.262 6.714 10.809 1.00 41.42 H new ATOM 0 HA LYS A 51 12.259 9.257 11.989 1.00 63.51 H new ATOM 0 HB2 LYS A 51 13.440 8.320 9.864 1.00 0.32 H new ATOM 0 HB3 LYS A 51 11.949 8.702 9.026 1.00 0.32 H new ATOM 0 HG2 LYS A 51 12.183 11.035 9.422 1.00 11.35 H new ATOM 0 HG3 LYS A 51 13.382 10.793 10.678 1.00 11.35 H new ATOM 0 HD2 LYS A 51 14.724 11.429 8.883 1.00 13.44 H new ATOM 0 HD3 LYS A 51 14.810 9.683 8.772 1.00 13.44 H new ATOM 0 HE2 LYS A 51 12.706 11.255 7.256 1.00 73.41 H new ATOM 0 HE3 LYS A 51 14.318 11.031 6.605 1.00 73.41 H new ATOM 0 HZ1 LYS A 51 13.422 9.170 5.763 1.00 2.40 H new ATOM 0 HZ2 LYS A 51 13.697 8.517 7.306 1.00 2.40 H new ATOM 0 HZ3 LYS A 51 12.160 9.114 6.897 1.00 2.40 H new ATOM 732 N LYS A 52 9.419 8.339 10.775 1.00 31.44 N ATOM 733 CA LYS A 52 8.018 8.708 10.612 1.00 10.44 C ATOM 734 C LYS A 52 7.228 8.420 11.885 1.00 54.32 C ATOM 735 O LYS A 52 6.141 8.960 12.088 1.00 50.13 O ATOM 736 CB LYS A 52 7.403 7.950 9.434 1.00 34.33 C ATOM 737 CG LYS A 52 5.937 8.273 9.201 1.00 10.15 C ATOM 738 CD LYS A 52 5.045 7.089 9.535 1.00 12.33 C ATOM 739 CE LYS A 52 5.273 5.931 8.576 1.00 3.21 C ATOM 740 NZ LYS A 52 5.005 6.319 7.164 1.00 54.52 N ATOM 0 H LYS A 52 9.604 7.340 10.688 1.00 31.44 H new ATOM 0 HA LYS A 52 7.971 9.778 10.411 1.00 10.44 H new ATOM 0 HB2 LYS A 52 7.966 8.182 8.530 1.00 34.33 H new ATOM 0 HB3 LYS A 52 7.507 6.879 9.608 1.00 34.33 H new ATOM 0 HG2 LYS A 52 5.651 9.129 9.812 1.00 10.15 H new ATOM 0 HG3 LYS A 52 5.788 8.560 8.160 1.00 10.15 H new ATOM 0 HD2 LYS A 52 5.241 6.761 10.556 1.00 12.33 H new ATOM 0 HD3 LYS A 52 4.000 7.396 9.494 1.00 12.33 H new ATOM 0 HE2 LYS A 52 6.301 5.581 8.667 1.00 3.21 H new ATOM 0 HE3 LYS A 52 4.627 5.098 8.853 1.00 3.21 H new ATOM 0 HZ1 LYS A 52 4.888 5.463 6.585 1.00 54.52 H new ATOM 0 HZ2 LYS A 52 4.136 6.889 7.119 1.00 54.52 H new ATOM 0 HZ3 LYS A 52 5.804 6.877 6.800 1.00 54.52 H new ATOM 754 N GLY A 53 7.782 7.566 12.740 1.00 0.41 N ATOM 755 CA GLY A 53 7.115 7.223 13.983 1.00 64.04 C ATOM 756 C GLY A 53 6.233 5.998 13.848 1.00 53.14 C ATOM 757 O GLY A 53 5.208 5.884 14.520 1.00 11.54 O ATOM 0 H GLY A 53 8.680 7.106 12.594 1.00 0.41 H new ATOM 0 HA2 GLY A 53 7.863 7.045 14.756 1.00 64.04 H new ATOM 0 HA3 GLY A 53 6.510 8.068 14.313 1.00 64.04 H new ATOM 761 N LYS A 54 6.629 5.078 12.974 1.00 2.44 N ATOM 762 CA LYS A 54 5.867 3.855 12.752 1.00 44.32 C ATOM 763 C LYS A 54 6.699 2.625 13.101 1.00 0.23 C ATOM 764 O LYS A 54 6.281 1.492 12.861 1.00 31.20 O ATOM 765 CB LYS A 54 5.406 3.775 11.295 1.00 43.12 C ATOM 766 CG LYS A 54 4.069 3.077 11.117 1.00 0.25 C ATOM 767 CD LYS A 54 2.949 4.073 10.866 1.00 2.05 C ATOM 768 CE LYS A 54 2.110 4.295 12.116 1.00 71.45 C ATOM 769 NZ LYS A 54 0.793 4.913 11.797 1.00 44.23 N ATOM 0 H LYS A 54 7.474 5.157 12.408 1.00 2.44 H new ATOM 0 HA LYS A 54 4.993 3.878 13.403 1.00 44.32 H new ATOM 0 HB2 LYS A 54 5.336 4.784 10.889 1.00 43.12 H new ATOM 0 HB3 LYS A 54 6.162 3.248 10.712 1.00 43.12 H new ATOM 0 HG2 LYS A 54 4.130 2.379 10.282 1.00 0.25 H new ATOM 0 HG3 LYS A 54 3.843 2.490 12.007 1.00 0.25 H new ATOM 0 HD2 LYS A 54 3.372 5.022 10.537 1.00 2.05 H new ATOM 0 HD3 LYS A 54 2.312 3.711 10.059 1.00 2.05 H new ATOM 0 HE2 LYS A 54 1.951 3.342 12.621 1.00 71.45 H new ATOM 0 HE3 LYS A 54 2.654 4.937 12.809 1.00 71.45 H new ATOM 0 HZ1 LYS A 54 0.251 5.048 12.674 1.00 44.23 H new ATOM 0 HZ2 LYS A 54 0.944 5.834 11.338 1.00 44.23 H new ATOM 0 HZ3 LYS A 54 0.263 4.289 11.156 1.00 44.23 H new ATOM 783 N LEU A 55 7.877 2.855 13.671 1.00 50.55 N ATOM 784 CA LEU A 55 8.767 1.765 14.055 1.00 41.41 C ATOM 785 C LEU A 55 9.584 2.139 15.288 1.00 63.34 C ATOM 786 O LEU A 55 10.202 3.202 15.335 1.00 11.01 O ATOM 787 CB LEU A 55 9.702 1.412 12.897 1.00 20.20 C ATOM 788 CG LEU A 55 10.955 0.615 13.265 1.00 55.41 C ATOM 789 CD1 LEU A 55 11.996 1.523 13.902 1.00 71.52 C ATOM 790 CD2 LEU A 55 10.601 -0.532 14.199 1.00 23.53 C ATOM 0 H LEU A 55 8.238 3.786 13.877 1.00 50.55 H new ATOM 0 HA LEU A 55 8.155 0.896 14.297 1.00 41.41 H new ATOM 0 HB2 LEU A 55 9.136 0.842 12.160 1.00 20.20 H new ATOM 0 HB3 LEU A 55 10.014 2.337 12.413 1.00 20.20 H new ATOM 0 HG LEU A 55 11.378 0.196 12.352 1.00 55.41 H new ATOM 0 HD11 LEU A 55 12.880 0.939 14.157 1.00 71.52 H new ATOM 0 HD12 LEU A 55 12.271 2.310 13.200 1.00 71.52 H new ATOM 0 HD13 LEU A 55 11.584 1.971 14.806 1.00 71.52 H new ATOM 0 HD21 LEU A 55 11.504 -1.088 14.451 1.00 23.53 H new ATOM 0 HD22 LEU A 55 10.154 -0.135 15.110 1.00 23.53 H new ATOM 0 HD23 LEU A 55 9.891 -1.196 13.707 1.00 23.53 H new ATOM 802 N GLN A 56 9.584 1.256 16.281 1.00 61.30 N ATOM 803 CA GLN A 56 10.327 1.493 17.513 1.00 30.41 C ATOM 804 C GLN A 56 11.188 0.286 17.870 1.00 63.41 C ATOM 805 O GLN A 56 10.723 -0.854 17.838 1.00 2.13 O ATOM 806 CB GLN A 56 9.366 1.805 18.661 1.00 14.31 C ATOM 807 CG GLN A 56 8.950 3.266 18.725 1.00 35.03 C ATOM 808 CD GLN A 56 9.914 4.113 19.532 1.00 32.45 C ATOM 809 OE1 GLN A 56 10.547 3.629 20.471 1.00 33.34 O ATOM 810 NE2 GLN A 56 10.031 5.385 19.170 1.00 23.33 N ATOM 0 H GLN A 56 9.078 0.371 16.257 1.00 61.30 H new ATOM 0 HA GLN A 56 10.982 2.350 17.353 1.00 30.41 H new ATOM 0 HB2 GLN A 56 8.475 1.186 18.556 1.00 14.31 H new ATOM 0 HB3 GLN A 56 9.837 1.528 19.604 1.00 14.31 H new ATOM 0 HG2 GLN A 56 8.882 3.665 17.713 1.00 35.03 H new ATOM 0 HG3 GLN A 56 7.955 3.337 19.164 1.00 35.03 H new ATOM 0 HE21 GLN A 56 9.487 5.744 18.385 1.00 23.33 H new ATOM 0 HE22 GLN A 56 10.665 6.003 19.676 1.00 23.33 H new ATOM 819 N LYS A 57 12.447 0.543 18.209 1.00 31.13 N ATOM 820 CA LYS A 57 13.375 -0.522 18.573 1.00 14.54 C ATOM 821 C LYS A 57 13.297 -0.824 20.066 1.00 33.04 C ATOM 822 O LYS A 57 13.300 0.087 20.894 1.00 60.32 O ATOM 823 CB LYS A 57 14.805 -0.131 18.195 1.00 1.13 C ATOM 824 CG LYS A 57 14.980 0.184 16.720 1.00 53.52 C ATOM 825 CD LYS A 57 14.704 1.650 16.426 1.00 22.33 C ATOM 826 CE LYS A 57 15.351 2.088 15.121 1.00 20.12 C ATOM 827 NZ LYS A 57 16.789 2.428 15.302 1.00 44.30 N ATOM 0 H LYS A 57 12.848 1.480 18.239 1.00 31.13 H new ATOM 0 HA LYS A 57 13.093 -1.420 18.023 1.00 14.54 H new ATOM 0 HB2 LYS A 57 15.102 0.739 18.781 1.00 1.13 H new ATOM 0 HB3 LYS A 57 15.479 -0.944 18.467 1.00 1.13 H new ATOM 0 HG2 LYS A 57 15.995 -0.065 16.412 1.00 53.52 H new ATOM 0 HG3 LYS A 57 14.307 -0.439 16.132 1.00 53.52 H new ATOM 0 HD2 LYS A 57 13.628 1.815 16.373 1.00 22.33 H new ATOM 0 HD3 LYS A 57 15.081 2.264 17.244 1.00 22.33 H new ATOM 0 HE2 LYS A 57 15.256 1.291 14.383 1.00 20.12 H new ATOM 0 HE3 LYS A 57 14.820 2.954 14.725 1.00 20.12 H new ATOM 0 HZ1 LYS A 57 17.194 2.722 14.390 1.00 44.30 H new ATOM 0 HZ2 LYS A 57 16.878 3.206 15.987 1.00 44.30 H new ATOM 0 HZ3 LYS A 57 17.301 1.595 15.656 1.00 44.30 H new ATOM 841 N GLU A 58 13.228 -2.108 20.403 1.00 63.33 N ATOM 842 CA GLU A 58 13.150 -2.529 21.797 1.00 65.13 C ATOM 843 C GLU A 58 14.461 -3.168 22.246 1.00 23.21 C ATOM 844 O GLU A 58 14.660 -4.373 22.096 1.00 70.40 O ATOM 845 CB GLU A 58 11.997 -3.515 21.991 1.00 14.04 C ATOM 846 CG GLU A 58 11.062 -3.141 23.130 1.00 24.50 C ATOM 847 CD GLU A 58 9.732 -3.864 23.054 1.00 75.14 C ATOM 848 OE1 GLU A 58 9.288 -4.172 21.927 1.00 1.13 O ATOM 849 OE2 GLU A 58 9.134 -4.122 24.119 1.00 15.41 O ATOM 0 H GLU A 58 13.225 -2.874 19.730 1.00 63.33 H new ATOM 0 HA GLU A 58 12.969 -1.644 22.408 1.00 65.13 H new ATOM 0 HB2 GLU A 58 11.423 -3.577 21.066 1.00 14.04 H new ATOM 0 HB3 GLU A 58 12.406 -4.508 22.179 1.00 14.04 H new ATOM 0 HG2 GLU A 58 11.543 -3.372 24.081 1.00 24.50 H new ATOM 0 HG3 GLU A 58 10.888 -2.065 23.114 1.00 24.50 H new ATOM 856 N ALA A 59 15.353 -2.351 22.797 1.00 33.14 N ATOM 857 CA ALA A 59 16.644 -2.836 23.270 1.00 14.30 C ATOM 858 C ALA A 59 16.607 -3.125 24.767 1.00 71.02 C ATOM 859 O ALA A 59 17.144 -2.363 25.569 1.00 24.35 O ATOM 860 CB ALA A 59 17.735 -1.825 22.952 1.00 3.45 C ATOM 0 H ALA A 59 15.205 -1.350 22.927 1.00 33.14 H new ATOM 0 HA ALA A 59 16.866 -3.769 22.752 1.00 14.30 H new ATOM 0 HB1 ALA A 59 18.694 -2.199 23.311 1.00 3.45 H new ATOM 0 HB2 ALA A 59 17.786 -1.671 21.874 1.00 3.45 H new ATOM 0 HB3 ALA A 59 17.509 -0.879 23.443 1.00 3.45 H new ATOM 866 N GLY A 60 15.968 -4.231 25.136 1.00 61.32 N ATOM 867 CA GLY A 60 15.873 -4.601 26.536 1.00 54.31 C ATOM 868 C GLY A 60 15.620 -6.083 26.729 1.00 55.25 C ATOM 869 O GLY A 60 16.254 -6.918 26.084 1.00 62.33 O ATOM 0 H GLY A 60 15.514 -4.877 24.490 1.00 61.32 H new ATOM 0 HA2 GLY A 60 16.796 -4.324 27.045 1.00 54.31 H new ATOM 0 HA3 GLY A 60 15.068 -4.034 27.004 1.00 54.31 H new ATOM 873 N THR A 61 14.690 -6.412 27.620 1.00 31.11 N ATOM 874 CA THR A 61 14.356 -7.803 27.898 1.00 24.33 C ATOM 875 C THR A 61 13.955 -8.538 26.624 1.00 2.23 C ATOM 876 O THR A 61 14.590 -9.510 26.213 1.00 12.52 O ATOM 877 CB THR A 61 13.211 -7.912 28.923 1.00 61.44 C ATOM 878 OG1 THR A 61 13.742 -7.911 30.253 1.00 74.54 O ATOM 879 CG2 THR A 61 12.401 -9.180 28.695 1.00 12.43 C ATOM 0 H THR A 61 14.155 -5.733 28.162 1.00 31.11 H new ATOM 0 HA THR A 61 15.251 -8.266 28.314 1.00 24.33 H new ATOM 0 HB THR A 61 12.554 -7.052 28.795 1.00 61.44 H new ATOM 0 HG1 THR A 61 13.008 -7.979 30.898 1.00 74.54 H new ATOM 0 HG21 THR A 61 11.598 -9.236 29.430 1.00 12.43 H new ATOM 0 HG22 THR A 61 11.974 -9.164 27.692 1.00 12.43 H new ATOM 0 HG23 THR A 61 13.050 -10.050 28.799 1.00 12.43 H new ATOM 887 N PRO A 62 12.877 -8.065 25.982 1.00 10.30 N ATOM 888 CA PRO A 62 12.368 -8.662 24.744 1.00 52.32 C ATOM 889 C PRO A 62 13.299 -8.424 23.560 1.00 51.41 C ATOM 890 O PRO A 62 13.434 -7.306 23.060 1.00 31.43 O ATOM 891 CB PRO A 62 11.033 -7.945 24.527 1.00 50.40 C ATOM 892 CG PRO A 62 11.185 -6.641 25.231 1.00 13.42 C ATOM 893 CD PRO A 62 12.072 -6.910 26.415 1.00 61.01 C ATOM 0 HA PRO A 62 12.278 -9.746 24.821 1.00 52.32 H new ATOM 0 HB2 PRO A 62 10.829 -7.801 23.466 1.00 50.40 H new ATOM 0 HB3 PRO A 62 10.203 -8.521 24.936 1.00 50.40 H new ATOM 0 HG2 PRO A 62 11.628 -5.892 24.574 1.00 13.42 H new ATOM 0 HG3 PRO A 62 10.217 -6.254 25.549 1.00 13.42 H new ATOM 0 HD2 PRO A 62 12.698 -6.050 26.652 1.00 61.01 H new ATOM 0 HD3 PRO A 62 11.491 -7.137 27.309 1.00 61.01 H new ATOM 901 N PRO A 63 13.957 -9.497 23.098 1.00 21.34 N ATOM 902 CA PRO A 63 14.886 -9.430 21.967 1.00 63.04 C ATOM 903 C PRO A 63 14.171 -9.178 20.644 1.00 42.24 C ATOM 904 O PRO A 63 13.952 -10.101 19.859 1.00 71.43 O ATOM 905 CB PRO A 63 15.543 -10.813 21.964 1.00 2.33 C ATOM 906 CG PRO A 63 14.548 -11.706 22.621 1.00 51.13 C ATOM 907 CD PRO A 63 13.844 -10.860 23.646 1.00 44.25 C ATOM 0 HA PRO A 63 15.593 -8.607 22.070 1.00 63.04 H new ATOM 0 HB2 PRO A 63 15.763 -11.145 20.949 1.00 2.33 H new ATOM 0 HB3 PRO A 63 16.487 -10.804 22.508 1.00 2.33 H new ATOM 0 HG2 PRO A 63 13.842 -12.105 21.893 1.00 51.13 H new ATOM 0 HG3 PRO A 63 15.039 -12.559 23.090 1.00 51.13 H new ATOM 0 HD2 PRO A 63 12.803 -11.159 23.768 1.00 44.25 H new ATOM 0 HD3 PRO A 63 14.315 -10.940 24.626 1.00 44.25 H new ATOM 915 N LEU A 64 13.810 -7.923 20.402 1.00 42.53 N ATOM 916 CA LEU A 64 13.120 -7.548 19.172 1.00 33.42 C ATOM 917 C LEU A 64 12.692 -6.085 19.211 1.00 4.34 C ATOM 918 O LEU A 64 13.026 -5.356 20.146 1.00 52.44 O ATOM 919 CB LEU A 64 11.897 -8.443 18.958 1.00 4.21 C ATOM 920 CG LEU A 64 11.074 -8.765 20.206 1.00 45.10 C ATOM 921 CD1 LEU A 64 10.488 -7.494 20.801 1.00 31.32 C ATOM 922 CD2 LEU A 64 9.971 -9.760 19.875 1.00 5.23 C ATOM 0 H LEU A 64 13.983 -7.147 21.041 1.00 42.53 H new ATOM 0 HA LEU A 64 13.812 -7.682 18.341 1.00 33.42 H new ATOM 0 HB2 LEU A 64 11.243 -7.963 18.230 1.00 4.21 H new ATOM 0 HB3 LEU A 64 12.231 -9.381 18.516 1.00 4.21 H new ATOM 0 HG LEU A 64 11.733 -9.218 20.947 1.00 45.10 H new ATOM 0 HD11 LEU A 64 9.906 -7.743 21.688 1.00 31.32 H new ATOM 0 HD12 LEU A 64 11.295 -6.815 21.075 1.00 31.32 H new ATOM 0 HD13 LEU A 64 9.843 -7.012 20.066 1.00 31.32 H new ATOM 0 HD21 LEU A 64 9.395 -9.978 20.775 1.00 5.23 H new ATOM 0 HD22 LEU A 64 9.313 -9.335 19.117 1.00 5.23 H new ATOM 0 HD23 LEU A 64 10.414 -10.681 19.496 1.00 5.23 H new ATOM 934 N TRP A 65 11.952 -5.663 18.193 1.00 12.21 N ATOM 935 CA TRP A 65 11.477 -4.286 18.112 1.00 32.24 C ATOM 936 C TRP A 65 9.960 -4.241 17.968 1.00 74.42 C ATOM 937 O TRP A 65 9.345 -5.185 17.470 1.00 41.12 O ATOM 938 CB TRP A 65 12.135 -3.566 16.935 1.00 42.14 C ATOM 939 CG TRP A 65 12.285 -4.430 15.719 1.00 40.41 C ATOM 940 CD1 TRP A 65 13.298 -5.307 15.457 1.00 70.41 C ATOM 941 CD2 TRP A 65 11.394 -4.496 14.600 1.00 63.30 C ATOM 942 NE1 TRP A 65 13.091 -5.916 14.242 1.00 15.34 N ATOM 943 CE2 TRP A 65 11.929 -5.436 13.697 1.00 21.01 C ATOM 944 CE3 TRP A 65 10.196 -3.855 14.274 1.00 61.42 C ATOM 945 CZ2 TRP A 65 11.306 -5.747 12.491 1.00 24.23 C ATOM 946 CZ3 TRP A 65 9.580 -4.165 13.077 1.00 75.15 C ATOM 947 CH2 TRP A 65 10.135 -5.105 12.197 1.00 14.44 C ATOM 0 H TRP A 65 11.667 -6.254 17.412 1.00 12.21 H new ATOM 0 HA TRP A 65 11.750 -3.779 19.037 1.00 32.24 H new ATOM 0 HB2 TRP A 65 11.542 -2.688 16.678 1.00 42.14 H new ATOM 0 HB3 TRP A 65 13.118 -3.208 17.241 1.00 42.14 H new ATOM 0 HD1 TRP A 65 14.139 -5.495 16.109 1.00 70.41 H new ATOM 0 HE1 TRP A 65 13.703 -6.612 13.816 1.00 15.34 H new ATOM 0 HE3 TRP A 65 9.760 -3.130 14.946 1.00 61.42 H new ATOM 0 HZ2 TRP A 65 11.733 -6.470 11.812 1.00 24.23 H new ATOM 0 HZ3 TRP A 65 8.654 -3.675 12.814 1.00 75.15 H new ATOM 0 HH2 TRP A 65 9.628 -5.326 11.269 1.00 14.44 H new ATOM 958 N LYS A 66 9.360 -3.140 18.406 1.00 41.40 N ATOM 959 CA LYS A 66 7.914 -2.971 18.324 1.00 2.42 C ATOM 960 C LYS A 66 7.538 -2.057 17.162 1.00 60.32 C ATOM 961 O LYS A 66 8.216 -1.064 16.897 1.00 73.05 O ATOM 962 CB LYS A 66 7.372 -2.395 19.635 1.00 63.34 C ATOM 963 CG LYS A 66 7.750 -0.942 19.863 1.00 1.01 C ATOM 964 CD LYS A 66 7.567 -0.540 21.317 1.00 22.21 C ATOM 965 CE LYS A 66 6.101 -0.314 21.653 1.00 70.23 C ATOM 966 NZ LYS A 66 5.447 -1.557 22.148 1.00 63.21 N ATOM 0 H LYS A 66 9.853 -2.350 18.822 1.00 41.40 H new ATOM 0 HA LYS A 66 7.468 -3.951 18.152 1.00 2.42 H new ATOM 0 HB2 LYS A 66 6.286 -2.484 19.640 1.00 63.34 H new ATOM 0 HB3 LYS A 66 7.744 -2.993 20.466 1.00 63.34 H new ATOM 0 HG2 LYS A 66 8.788 -0.785 19.569 1.00 1.01 H new ATOM 0 HG3 LYS A 66 7.138 -0.302 19.228 1.00 1.01 H new ATOM 0 HD2 LYS A 66 7.974 -1.317 21.964 1.00 22.21 H new ATOM 0 HD3 LYS A 66 8.132 0.370 21.518 1.00 22.21 H new ATOM 0 HE2 LYS A 66 6.018 0.466 22.410 1.00 70.23 H new ATOM 0 HE3 LYS A 66 5.577 0.044 20.767 1.00 70.23 H new ATOM 0 HZ1 LYS A 66 4.571 -1.725 21.614 1.00 63.21 H new ATOM 0 HZ2 LYS A 66 6.091 -2.363 22.019 1.00 63.21 H new ATOM 0 HZ3 LYS A 66 5.222 -1.452 23.158 1.00 63.21 H new ATOM 980 N ILE A 67 6.454 -2.399 16.473 1.00 22.35 N ATOM 981 CA ILE A 67 5.987 -1.608 15.342 1.00 65.23 C ATOM 982 C ILE A 67 5.040 -0.504 15.797 1.00 53.44 C ATOM 983 O ILE A 67 4.132 -0.740 16.593 1.00 2.44 O ATOM 984 CB ILE A 67 5.271 -2.486 14.298 1.00 5.03 C ATOM 985 CG1 ILE A 67 4.050 -3.164 14.922 1.00 21.32 C ATOM 986 CG2 ILE A 67 6.229 -3.524 13.732 1.00 2.15 C ATOM 987 CD1 ILE A 67 3.309 -4.073 13.966 1.00 2.41 C ATOM 0 H ILE A 67 5.883 -3.219 16.679 1.00 22.35 H new ATOM 0 HA ILE A 67 6.869 -1.160 14.884 1.00 65.23 H new ATOM 0 HB ILE A 67 4.932 -1.850 13.481 1.00 5.03 H new ATOM 0 HG12 ILE A 67 4.369 -3.744 15.788 1.00 21.32 H new ATOM 0 HG13 ILE A 67 3.366 -2.398 15.286 1.00 21.32 H new ATOM 0 HG21 ILE A 67 5.708 -4.137 12.996 1.00 2.15 H new ATOM 0 HG22 ILE A 67 7.070 -3.021 13.256 1.00 2.15 H new ATOM 0 HG23 ILE A 67 6.595 -4.159 14.539 1.00 2.15 H new ATOM 0 HD11 ILE A 67 2.455 -4.519 14.476 1.00 2.41 H new ATOM 0 HD12 ILE A 67 2.959 -3.494 13.111 1.00 2.41 H new ATOM 0 HD13 ILE A 67 3.978 -4.861 13.621 1.00 2.41 H new ATOM 999 N ALA A 68 5.256 0.703 15.283 1.00 22.01 N ATOM 1000 CA ALA A 68 4.419 1.844 15.633 1.00 21.34 C ATOM 1001 C ALA A 68 3.492 2.219 14.482 1.00 62.51 C ATOM 1002 O ALA A 68 2.269 2.166 14.615 1.00 71.21 O ATOM 1003 CB ALA A 68 5.284 3.032 16.026 1.00 40.44 C ATOM 0 H ALA A 68 6.004 0.915 14.623 1.00 22.01 H new ATOM 0 HA ALA A 68 3.800 1.562 16.485 1.00 21.34 H new ATOM 0 HB1 ALA A 68 4.646 3.877 16.285 1.00 40.44 H new ATOM 0 HB2 ALA A 68 5.899 2.766 16.885 1.00 40.44 H new ATOM 0 HB3 ALA A 68 5.927 3.306 15.190 1.00 40.44 H new