USER MOD reduce.3.24.130724 H: found=0, std=0, add=918, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 920 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: B 68 ASN : amide:sc= -0.0894 K(o=0.11,f=-12!) USER MOD Set 1.2: B 70 LYS NZ :NH3+ 158:sc= 0.2 (180deg=0) USER MOD Set 2.1: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 25 GLN : amide:sc= -0.917! K(o=-0.28!,f=1.2) USER MOD Set 3.2: A 58 SER OG : rot 120:sc= 0.642 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 171:sc= 0.456 (180deg=0.42) USER MOD Single : A 17 LYS NZ :NH3+ 147:sc= 1.14 (180deg=0.449) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00389 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 1.73 (180deg=1.09) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 141:sc= 1.02 (180deg=0.0558) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 43 LYS NZ :NH3+ 156:sc= 1.2 (180deg=0.636) USER MOD Single : A 47 MET CE :methyl -164:sc= 0 (180deg=-0.296) USER MOD Single : A 50 CYS SG : rot 24:sc= 1.06 USER MOD Single : A 51 TYR OH : rot 65:sc= 0.0602 USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 2.15 (180deg=2.07) USER MOD Single : A 54 LYS NZ :NH3+ -172:sc= -1.24! (180deg=-1.55!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 178:sc= 0.566 USER MOD Single : A 65 GLN : amide:sc= -1.43! K(o=-1.4!,f=-0.014) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 130:sc= -0.0115 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 75 THR OG1 : rot -65:sc= 0.744 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 7.850 12.818 -6.419 1.00 0.00 N ATOM 19 CA ALA A 2 9.241 12.553 -6.033 1.00 0.00 C ATOM 20 C ALA A 2 9.517 11.062 -6.201 1.00 0.00 C ATOM 21 O ALA A 2 10.590 10.652 -6.662 1.00 0.00 O ATOM 22 CB ALA A 2 9.499 12.980 -4.596 1.00 0.00 C ATOM 0 HA ALA A 2 9.909 13.130 -6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.537 12.773 -4.336 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.306 14.048 -4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.840 12.426 -3.928 1.00 0.00 H new ATOM 28 N TYR A 3 8.527 10.272 -5.836 1.00 0.00 N ATOM 29 CA TYR A 3 8.530 8.841 -6.058 1.00 0.00 C ATOM 30 C TYR A 3 7.515 8.483 -7.130 1.00 0.00 C ATOM 31 O TYR A 3 6.564 9.262 -7.391 1.00 0.00 O ATOM 32 CB TYR A 3 8.195 8.080 -4.766 1.00 0.00 C ATOM 33 CG TYR A 3 9.333 7.968 -3.777 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.795 9.074 -3.084 1.00 0.00 C ATOM 35 CD2 TYR A 3 9.940 6.738 -3.528 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.819 8.967 -2.176 1.00 0.00 C ATOM 37 CE2 TYR A 3 10.974 6.621 -2.619 1.00 0.00 C ATOM 38 CZ TYR A 3 11.409 7.740 -1.948 1.00 0.00 C ATOM 39 OH TYR A 3 12.415 7.637 -1.023 1.00 0.00 O ATOM 0 H TYR A 3 7.686 10.612 -5.370 1.00 0.00 H new ATOM 0 HA TYR A 3 9.529 8.552 -6.383 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.356 8.576 -4.277 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.862 7.076 -5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.342 10.038 -3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.596 5.861 -4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 3 11.162 9.840 -1.641 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.435 5.662 -2.437 1.00 0.00 H new ATOM 0 HH TYR A 3 12.725 6.708 -0.978 1.00 0.00 H new ATOM 49 N PHE A 4 7.739 7.357 -7.780 1.00 0.00 N ATOM 50 CA PHE A 4 6.782 6.817 -8.732 1.00 0.00 C ATOM 51 C PHE A 4 5.773 5.973 -7.971 1.00 0.00 C ATOM 52 O PHE A 4 5.963 5.697 -6.771 1.00 0.00 O ATOM 53 CB PHE A 4 7.470 5.932 -9.788 1.00 0.00 C ATOM 54 CG PHE A 4 8.553 6.605 -10.569 1.00 0.00 C ATOM 55 CD1 PHE A 4 8.256 7.585 -11.497 1.00 0.00 C ATOM 56 CD2 PHE A 4 9.875 6.253 -10.370 1.00 0.00 C ATOM 57 CE1 PHE A 4 9.262 8.202 -12.209 1.00 0.00 C ATOM 58 CE2 PHE A 4 10.882 6.862 -11.075 1.00 0.00 C ATOM 59 CZ PHE A 4 10.578 7.838 -11.997 1.00 0.00 C ATOM 0 H PHE A 4 8.581 6.793 -7.666 1.00 0.00 H new ATOM 0 HA PHE A 4 6.299 7.648 -9.247 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.891 5.059 -9.290 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.714 5.568 -10.484 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.228 7.870 -11.666 1.00 0.00 H new ATOM 0 HD2 PHE A 4 10.119 5.487 -9.649 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.022 8.968 -12.931 1.00 0.00 H new ATOM 0 HE2 PHE A 4 11.910 6.577 -10.907 1.00 0.00 H new ATOM 0 HZ PHE A 4 11.368 8.319 -12.555 1.00 0.00 H new ATOM 69 N LEU A 5 4.732 5.535 -8.638 1.00 0.00 N ATOM 70 CA LEU A 5 3.741 4.730 -8.004 1.00 0.00 C ATOM 71 C LEU A 5 3.646 3.401 -8.736 1.00 0.00 C ATOM 72 O LEU A 5 3.698 3.357 -9.966 1.00 0.00 O ATOM 73 CB LEU A 5 2.400 5.469 -8.010 1.00 0.00 C ATOM 74 CG LEU A 5 1.224 4.766 -7.359 1.00 0.00 C ATOM 75 CD1 LEU A 5 1.482 4.503 -5.879 1.00 0.00 C ATOM 76 CD2 LEU A 5 -0.017 5.590 -7.541 1.00 0.00 C ATOM 0 H LEU A 5 4.558 5.729 -9.624 1.00 0.00 H new ATOM 0 HA LEU A 5 4.012 4.537 -6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.540 6.428 -7.512 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.136 5.683 -9.046 1.00 0.00 H new ATOM 0 HG LEU A 5 1.089 3.799 -7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.620 3.998 -5.443 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.365 3.873 -5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.646 5.450 -5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.861 5.084 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.123 6.566 -7.077 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.216 5.719 -8.605 1.00 0.00 H new ATOM 88 N ASP A 6 3.547 2.339 -7.997 1.00 0.00 N ATOM 89 CA ASP A 6 3.454 0.997 -8.578 1.00 0.00 C ATOM 90 C ASP A 6 2.505 0.166 -7.784 1.00 0.00 C ATOM 91 O ASP A 6 2.336 0.383 -6.587 1.00 0.00 O ATOM 92 CB ASP A 6 4.821 0.284 -8.649 1.00 0.00 C ATOM 93 CG ASP A 6 5.508 0.356 -10.009 1.00 0.00 C ATOM 94 OD1 ASP A 6 6.182 1.368 -10.328 1.00 0.00 O ATOM 95 OD2 ASP A 6 5.424 -0.627 -10.765 1.00 0.00 O ATOM 0 H ASP A 6 3.527 2.357 -6.977 1.00 0.00 H new ATOM 0 HA ASP A 6 3.093 1.117 -9.599 1.00 0.00 H new ATOM 0 HB2 ASP A 6 5.482 0.720 -7.900 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.683 -0.764 -8.382 1.00 0.00 H new ATOM 100 N PHE A 7 1.870 -0.758 -8.435 1.00 0.00 N ATOM 101 CA PHE A 7 0.940 -1.660 -7.785 1.00 0.00 C ATOM 102 C PHE A 7 1.120 -3.067 -8.262 1.00 0.00 C ATOM 103 O PHE A 7 1.402 -3.306 -9.438 1.00 0.00 O ATOM 104 CB PHE A 7 -0.523 -1.256 -8.015 1.00 0.00 C ATOM 105 CG PHE A 7 -1.062 -0.196 -7.098 1.00 0.00 C ATOM 106 CD1 PHE A 7 -0.824 1.140 -7.331 1.00 0.00 C ATOM 107 CD2 PHE A 7 -1.845 -0.549 -6.014 1.00 0.00 C ATOM 108 CE1 PHE A 7 -1.353 2.106 -6.506 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.375 0.415 -5.182 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.128 1.744 -5.430 1.00 0.00 C ATOM 0 H PHE A 7 1.975 -0.918 -9.437 1.00 0.00 H new ATOM 0 HA PHE A 7 1.162 -1.596 -6.720 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -0.626 -0.907 -9.043 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.145 -2.145 -7.916 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.214 1.434 -8.172 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.044 -1.592 -5.817 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.159 3.150 -6.704 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.983 0.126 -4.337 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.542 2.502 -4.781 1.00 0.00 H new ATOM 120 N ASP A 8 1.012 -3.980 -7.334 1.00 0.00 N ATOM 121 CA ASP A 8 0.961 -5.405 -7.610 1.00 0.00 C ATOM 122 C ASP A 8 -0.281 -5.715 -8.440 1.00 0.00 C ATOM 123 O ASP A 8 -1.318 -5.059 -8.279 1.00 0.00 O ATOM 124 CB ASP A 8 0.952 -6.190 -6.277 1.00 0.00 C ATOM 125 CG ASP A 8 0.322 -7.567 -6.371 1.00 0.00 C ATOM 126 OD1 ASP A 8 0.959 -8.509 -6.876 1.00 0.00 O ATOM 127 OD2 ASP A 8 -0.846 -7.714 -5.939 1.00 0.00 O ATOM 0 H ASP A 8 0.955 -3.757 -6.340 1.00 0.00 H new ATOM 0 HA ASP A 8 1.840 -5.708 -8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.978 -6.295 -5.923 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.415 -5.607 -5.529 1.00 0.00 H new ATOM 132 N GLU A 9 -0.164 -6.681 -9.330 1.00 0.00 N ATOM 133 CA GLU A 9 -1.226 -7.085 -10.237 1.00 0.00 C ATOM 134 C GLU A 9 -2.537 -7.422 -9.479 1.00 0.00 C ATOM 135 O GLU A 9 -3.624 -7.135 -9.965 1.00 0.00 O ATOM 136 CB GLU A 9 -0.738 -8.285 -11.028 1.00 0.00 C ATOM 137 CG GLU A 9 -1.093 -8.301 -12.514 1.00 0.00 C ATOM 138 CD GLU A 9 -2.561 -8.511 -12.810 1.00 0.00 C ATOM 139 OE1 GLU A 9 -3.084 -9.608 -12.491 1.00 0.00 O ATOM 140 OE2 GLU A 9 -3.204 -7.619 -13.422 1.00 0.00 O ATOM 0 H GLU A 9 0.693 -7.222 -9.447 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.460 -6.258 -10.907 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.347 -8.340 -10.934 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.144 -9.186 -10.569 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.778 -7.357 -12.959 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.521 -9.090 -13.002 1.00 0.00 H new ATOM 147 N ARG A 10 -2.438 -7.978 -8.275 1.00 0.00 N ATOM 148 CA ARG A 10 -3.644 -8.318 -7.530 1.00 0.00 C ATOM 149 C ARG A 10 -4.132 -7.080 -6.808 1.00 0.00 C ATOM 150 O ARG A 10 -5.321 -6.864 -6.685 1.00 0.00 O ATOM 151 CB ARG A 10 -3.466 -9.450 -6.485 1.00 0.00 C ATOM 152 CG ARG A 10 -2.865 -10.767 -6.962 1.00 0.00 C ATOM 153 CD ARG A 10 -1.378 -10.637 -7.202 1.00 0.00 C ATOM 154 NE ARG A 10 -0.748 -11.911 -7.464 1.00 0.00 N ATOM 155 CZ ARG A 10 0.553 -12.125 -7.411 1.00 0.00 C ATOM 156 NH1 ARG A 10 1.392 -11.113 -7.183 1.00 0.00 N ATOM 157 NH2 ARG A 10 1.031 -13.345 -7.610 1.00 0.00 N ATOM 0 H ARG A 10 -1.560 -8.198 -7.805 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.358 -8.688 -8.266 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.839 -9.067 -5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.444 -9.664 -6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.049 -11.543 -6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.358 -11.082 -7.882 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.206 -9.969 -8.046 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.911 -10.176 -6.331 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.350 -12.698 -7.706 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.028 -10.169 -7.049 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.397 -11.283 -7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.393 -14.117 -7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.036 -13.512 -7.569 1.00 0.00 H new ATOM 171 N ALA A 11 -3.185 -6.261 -6.337 1.00 0.00 N ATOM 172 CA ALA A 11 -3.480 -4.995 -5.639 1.00 0.00 C ATOM 173 C ALA A 11 -4.316 -4.066 -6.516 1.00 0.00 C ATOM 174 O ALA A 11 -5.136 -3.295 -6.016 1.00 0.00 O ATOM 175 CB ALA A 11 -2.199 -4.307 -5.193 1.00 0.00 C ATOM 0 H ALA A 11 -2.188 -6.454 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.063 -5.234 -4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.445 -3.376 -4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.652 -4.961 -4.514 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.581 -4.090 -6.064 1.00 0.00 H new ATOM 181 N LEU A 12 -4.099 -4.164 -7.822 1.00 0.00 N ATOM 182 CA LEU A 12 -4.897 -3.460 -8.821 1.00 0.00 C ATOM 183 C LEU A 12 -6.363 -3.815 -8.633 1.00 0.00 C ATOM 184 O LEU A 12 -7.221 -2.945 -8.472 1.00 0.00 O ATOM 185 CB LEU A 12 -4.471 -3.896 -10.230 1.00 0.00 C ATOM 186 CG LEU A 12 -3.029 -3.630 -10.662 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.791 -4.224 -12.025 1.00 0.00 C ATOM 188 CD2 LEU A 12 -2.739 -2.151 -10.703 1.00 0.00 C ATOM 0 H LEU A 12 -3.358 -4.739 -8.222 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.746 -2.387 -8.703 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.652 -4.967 -10.316 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.129 -3.402 -10.945 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.364 -4.093 -9.933 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.762 -4.033 -12.331 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.965 -5.299 -11.989 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.473 -3.770 -12.744 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.706 -1.991 -11.013 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.410 -1.668 -11.413 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.890 -1.723 -9.712 1.00 0.00 H new ATOM 200 N LYS A 13 -6.614 -5.099 -8.549 1.00 0.00 N ATOM 201 CA LYS A 13 -7.967 -5.617 -8.494 1.00 0.00 C ATOM 202 C LYS A 13 -8.559 -5.324 -7.130 1.00 0.00 C ATOM 203 O LYS A 13 -9.756 -5.181 -6.991 1.00 0.00 O ATOM 204 CB LYS A 13 -7.982 -7.135 -8.746 1.00 0.00 C ATOM 205 CG LYS A 13 -6.974 -7.614 -9.787 1.00 0.00 C ATOM 206 CD LYS A 13 -7.134 -6.950 -11.145 1.00 0.00 C ATOM 207 CE LYS A 13 -5.914 -7.255 -11.982 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.950 -6.669 -13.327 1.00 0.00 N ATOM 0 H LYS A 13 -5.890 -5.817 -8.517 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.559 -5.133 -9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.785 -7.649 -7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.982 -7.428 -9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.966 -7.426 -9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.073 -8.693 -9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.033 -7.316 -11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.251 -5.873 -11.027 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.029 -6.890 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.808 -8.336 -12.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.023 -6.790 -13.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.680 -7.145 -13.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.172 -5.655 -13.258 1.00 0.00 H new ATOM 222 N GLU A 14 -7.691 -5.203 -6.140 1.00 0.00 N ATOM 223 CA GLU A 14 -8.076 -4.915 -4.774 1.00 0.00 C ATOM 224 C GLU A 14 -8.792 -3.574 -4.657 1.00 0.00 C ATOM 225 O GLU A 14 -9.819 -3.486 -4.009 1.00 0.00 O ATOM 226 CB GLU A 14 -6.869 -4.955 -3.852 1.00 0.00 C ATOM 227 CG GLU A 14 -6.240 -6.340 -3.662 1.00 0.00 C ATOM 228 CD GLU A 14 -7.069 -7.333 -2.838 1.00 0.00 C ATOM 229 OE1 GLU A 14 -8.281 -7.122 -2.590 1.00 0.00 O ATOM 230 OE2 GLU A 14 -6.487 -8.358 -2.396 1.00 0.00 O ATOM 0 H GLU A 14 -6.684 -5.304 -6.268 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.777 -5.691 -4.466 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.109 -4.279 -4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.164 -4.570 -2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.056 -6.774 -4.645 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.270 -6.217 -3.181 1.00 0.00 H new ATOM 237 N TRP A 15 -8.293 -2.526 -5.312 1.00 0.00 N ATOM 238 CA TRP A 15 -8.997 -1.247 -5.199 1.00 0.00 C ATOM 239 C TRP A 15 -10.276 -1.262 -6.039 1.00 0.00 C ATOM 240 O TRP A 15 -11.217 -0.489 -5.809 1.00 0.00 O ATOM 241 CB TRP A 15 -8.123 0.001 -5.513 1.00 0.00 C ATOM 242 CG TRP A 15 -7.850 0.326 -6.971 1.00 0.00 C ATOM 243 CD1 TRP A 15 -8.742 0.812 -7.894 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.597 0.264 -7.645 1.00 0.00 C ATOM 245 NE1 TRP A 15 -8.118 1.039 -9.079 1.00 0.00 N ATOM 246 CE2 TRP A 15 -6.810 0.712 -8.962 1.00 0.00 C ATOM 247 CE3 TRP A 15 -5.322 -0.128 -7.275 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -5.798 0.778 -9.895 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -4.321 -0.058 -8.212 1.00 0.00 C ATOM 250 CH2 TRP A 15 -4.565 0.391 -9.505 1.00 0.00 C ATOM 0 H TRP A 15 -7.455 -2.529 -5.894 1.00 0.00 H new ATOM 0 HA TRP A 15 -9.260 -1.144 -4.146 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -8.603 0.869 -5.061 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -7.163 -0.128 -5.013 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -9.791 0.989 -7.705 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -8.564 1.399 -9.923 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -5.120 -0.480 -6.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -5.984 1.126 -10.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -3.321 -0.359 -7.938 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -3.750 0.431 -10.213 1.00 0.00 H new ATOM 261 N ARG A 16 -10.306 -2.147 -7.006 1.00 0.00 N ATOM 262 CA ARG A 16 -11.448 -2.283 -7.892 1.00 0.00 C ATOM 263 C ARG A 16 -12.601 -3.009 -7.175 1.00 0.00 C ATOM 264 O ARG A 16 -13.773 -2.764 -7.462 1.00 0.00 O ATOM 265 CB ARG A 16 -11.048 -3.057 -9.153 1.00 0.00 C ATOM 266 CG ARG A 16 -9.823 -2.500 -9.877 1.00 0.00 C ATOM 267 CD ARG A 16 -10.052 -1.154 -10.519 1.00 0.00 C ATOM 268 NE ARG A 16 -11.054 -1.218 -11.591 1.00 0.00 N ATOM 269 CZ ARG A 16 -11.422 -0.210 -12.400 1.00 0.00 C ATOM 270 NH1 ARG A 16 -10.926 1.013 -12.244 1.00 0.00 N ATOM 271 NH2 ARG A 16 -12.295 -0.440 -13.368 1.00 0.00 N ATOM 0 H ARG A 16 -9.543 -2.794 -7.205 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.785 -1.287 -8.178 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.853 -4.094 -8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.891 -3.062 -9.844 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.000 -2.418 -9.167 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.513 -3.209 -10.644 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.377 -0.442 -9.761 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.111 -0.781 -10.924 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.516 -2.116 -11.736 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.254 1.200 -11.500 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.218 1.765 -12.868 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.682 -1.375 -13.494 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.581 0.318 -13.988 1.00 0.00 H new ATOM 285 N LYS A 17 -12.259 -3.865 -6.222 1.00 0.00 N ATOM 286 CA LYS A 17 -13.247 -4.665 -5.488 1.00 0.00 C ATOM 287 C LYS A 17 -13.722 -3.981 -4.213 1.00 0.00 C ATOM 288 O LYS A 17 -14.534 -4.540 -3.468 1.00 0.00 O ATOM 289 CB LYS A 17 -12.709 -6.106 -5.210 1.00 0.00 C ATOM 290 CG LYS A 17 -11.348 -6.179 -4.505 1.00 0.00 C ATOM 291 CD LYS A 17 -11.404 -5.964 -2.989 1.00 0.00 C ATOM 292 CE LYS A 17 -11.754 -7.238 -2.238 1.00 0.00 C ATOM 293 NZ LYS A 17 -10.735 -8.294 -2.453 1.00 0.00 N ATOM 0 H LYS A 17 -11.295 -4.029 -5.932 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.124 -4.755 -6.129 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.442 -6.638 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.636 -6.637 -6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.902 -7.153 -4.705 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.687 -5.430 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.440 -5.593 -2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.143 -5.196 -2.760 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.837 -7.022 -1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.728 -7.599 -2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.651 -8.875 -1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.021 -8.895 -3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.817 -7.853 -2.663 1.00 0.00 H new ATOM 307 N LEU A 18 -13.214 -2.797 -3.953 1.00 0.00 N ATOM 308 CA LEU A 18 -13.624 -2.070 -2.780 1.00 0.00 C ATOM 309 C LEU A 18 -14.362 -0.789 -3.130 1.00 0.00 C ATOM 310 O LEU A 18 -14.402 -0.387 -4.303 1.00 0.00 O ATOM 311 CB LEU A 18 -12.451 -1.855 -1.790 1.00 0.00 C ATOM 312 CG LEU A 18 -11.158 -1.204 -2.311 1.00 0.00 C ATOM 313 CD1 LEU A 18 -11.313 0.276 -2.591 1.00 0.00 C ATOM 314 CD2 LEU A 18 -10.012 -1.448 -1.353 1.00 0.00 C ATOM 0 H LEU A 18 -12.523 -2.323 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.347 -2.691 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.821 -1.244 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -12.188 -2.827 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.933 -1.681 -3.265 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.368 0.678 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.086 0.425 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.597 0.792 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.108 -0.979 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.254 -1.020 -0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.848 -2.520 -1.247 1.00 0.00 H new ATOM 326 N GLY A 19 -14.945 -0.171 -2.113 1.00 0.00 N ATOM 327 CA GLY A 19 -15.717 1.035 -2.272 1.00 0.00 C ATOM 328 C GLY A 19 -14.937 2.186 -2.875 1.00 0.00 C ATOM 329 O GLY A 19 -13.769 2.428 -2.528 1.00 0.00 O ATOM 0 H GLY A 19 -14.890 -0.502 -1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.579 0.822 -2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.102 1.340 -1.299 1.00 0.00 H new ATOM 333 N SER A 20 -15.585 2.899 -3.749 1.00 0.00 N ATOM 334 CA SER A 20 -15.002 3.997 -4.468 1.00 0.00 C ATOM 335 C SER A 20 -14.565 5.142 -3.528 1.00 0.00 C ATOM 336 O SER A 20 -13.551 5.795 -3.761 1.00 0.00 O ATOM 337 CB SER A 20 -16.019 4.482 -5.473 1.00 0.00 C ATOM 338 OG SER A 20 -16.559 3.377 -6.200 1.00 0.00 O ATOM 0 H SER A 20 -16.562 2.729 -3.989 1.00 0.00 H new ATOM 0 HA SER A 20 -14.097 3.658 -4.972 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.820 5.017 -4.962 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.553 5.187 -6.161 1.00 0.00 H new ATOM 0 HG SER A 20 -17.219 3.702 -6.848 1.00 0.00 H new ATOM 344 N THR A 21 -15.299 5.350 -2.448 1.00 0.00 N ATOM 345 CA THR A 21 -14.971 6.398 -1.504 1.00 0.00 C ATOM 346 C THR A 21 -13.758 5.969 -0.659 1.00 0.00 C ATOM 347 O THR A 21 -12.968 6.805 -0.191 1.00 0.00 O ATOM 348 CB THR A 21 -16.187 6.685 -0.608 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.332 6.852 -1.454 1.00 0.00 O ATOM 350 CG2 THR A 21 -15.984 7.960 0.194 1.00 0.00 C ATOM 0 H THR A 21 -16.126 4.805 -2.205 1.00 0.00 H new ATOM 0 HA THR A 21 -14.714 7.311 -2.041 1.00 0.00 H new ATOM 0 HB THR A 21 -16.322 5.857 0.087 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.122 7.035 -0.903 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.859 8.140 0.819 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.102 7.856 0.826 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.846 8.800 -0.487 1.00 0.00 H new ATOM 358 N VAL A 22 -13.600 4.662 -0.522 1.00 0.00 N ATOM 359 CA VAL A 22 -12.494 4.079 0.204 1.00 0.00 C ATOM 360 C VAL A 22 -11.190 4.358 -0.524 1.00 0.00 C ATOM 361 O VAL A 22 -10.238 4.869 0.068 1.00 0.00 O ATOM 362 CB VAL A 22 -12.669 2.551 0.376 1.00 0.00 C ATOM 363 CG1 VAL A 22 -11.461 1.941 1.056 1.00 0.00 C ATOM 364 CG2 VAL A 22 -13.929 2.245 1.166 1.00 0.00 C ATOM 0 H VAL A 22 -14.243 3.975 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 22 -12.471 4.535 1.194 1.00 0.00 H new ATOM 0 HB VAL A 22 -12.762 2.108 -0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.609 0.867 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -10.572 2.126 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -11.332 2.391 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -14.036 1.166 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -13.862 2.706 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -14.795 2.643 0.638 1.00 0.00 H new ATOM 374 N ARG A 23 -11.170 4.070 -1.816 1.00 0.00 N ATOM 375 CA ARG A 23 -9.971 4.275 -2.614 1.00 0.00 C ATOM 376 C ARG A 23 -9.603 5.750 -2.742 1.00 0.00 C ATOM 377 O ARG A 23 -8.448 6.079 -2.912 1.00 0.00 O ATOM 378 CB ARG A 23 -10.043 3.561 -3.969 1.00 0.00 C ATOM 379 CG ARG A 23 -11.195 3.954 -4.850 1.00 0.00 C ATOM 380 CD ARG A 23 -11.227 3.092 -6.098 1.00 0.00 C ATOM 381 NE ARG A 23 -12.355 3.417 -6.968 1.00 0.00 N ATOM 382 CZ ARG A 23 -13.113 2.514 -7.610 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.921 1.207 -7.421 1.00 0.00 N ATOM 384 NH2 ARG A 23 -14.092 2.920 -8.410 1.00 0.00 N ATOM 0 H ARG A 23 -11.966 3.695 -2.332 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.152 3.806 -2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.115 3.750 -4.509 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.095 2.487 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.132 3.847 -4.303 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.106 5.004 -5.128 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.296 3.221 -6.650 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.284 2.042 -5.810 1.00 0.00 H new ATOM 0 HE ARG A 23 -12.583 4.403 -7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.193 0.885 -6.784 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.503 0.530 -7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.267 3.917 -8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -14.669 2.235 -8.898 1.00 0.00 H new ATOM 398 N GLU A 24 -10.585 6.628 -2.604 1.00 0.00 N ATOM 399 CA GLU A 24 -10.334 8.069 -2.602 1.00 0.00 C ATOM 400 C GLU A 24 -9.561 8.486 -1.353 1.00 0.00 C ATOM 401 O GLU A 24 -8.727 9.402 -1.389 1.00 0.00 O ATOM 402 CB GLU A 24 -11.642 8.848 -2.707 1.00 0.00 C ATOM 403 CG GLU A 24 -12.303 8.739 -4.062 1.00 0.00 C ATOM 404 CD GLU A 24 -11.449 9.335 -5.145 1.00 0.00 C ATOM 405 OE1 GLU A 24 -11.485 10.569 -5.331 1.00 0.00 O ATOM 406 OE2 GLU A 24 -10.720 8.599 -5.814 1.00 0.00 O ATOM 0 H GLU A 24 -11.566 6.372 -2.492 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.724 8.304 -3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.333 8.487 -1.945 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.448 9.898 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.499 7.691 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.268 9.246 -4.038 1.00 0.00 H new ATOM 413 N GLN A 25 -9.834 7.810 -0.249 1.00 0.00 N ATOM 414 CA GLN A 25 -9.131 8.063 0.996 1.00 0.00 C ATOM 415 C GLN A 25 -7.696 7.572 0.868 1.00 0.00 C ATOM 416 O GLN A 25 -6.746 8.238 1.300 1.00 0.00 O ATOM 417 CB GLN A 25 -9.818 7.347 2.162 1.00 0.00 C ATOM 418 CG GLN A 25 -11.229 7.825 2.458 1.00 0.00 C ATOM 419 CD GLN A 25 -11.852 7.075 3.613 1.00 0.00 C ATOM 420 OE1 GLN A 25 -11.697 7.450 4.762 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.587 6.047 3.317 1.00 0.00 N ATOM 0 H GLN A 25 -10.542 7.078 -0.191 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.142 9.134 1.196 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.848 6.279 1.947 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.210 7.475 3.058 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.210 8.891 2.686 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.848 7.700 1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.695 5.761 2.344 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.057 5.526 4.057 1.00 0.00 H new ATOM 430 N LEU A 26 -7.550 6.433 0.224 1.00 0.00 N ATOM 431 CA LEU A 26 -6.262 5.803 0.023 1.00 0.00 C ATOM 432 C LEU A 26 -5.361 6.638 -0.888 1.00 0.00 C ATOM 433 O LEU A 26 -4.182 6.774 -0.621 1.00 0.00 O ATOM 434 CB LEU A 26 -6.439 4.390 -0.541 1.00 0.00 C ATOM 435 CG LEU A 26 -7.247 3.416 0.328 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.398 2.081 -0.370 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.593 3.229 1.692 1.00 0.00 C ATOM 0 H LEU A 26 -8.330 5.913 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.772 5.734 0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.924 4.467 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.451 3.961 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.238 3.844 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.973 1.404 0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.917 2.223 -1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.412 1.654 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.186 2.534 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.588 2.829 1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.538 4.190 2.204 1.00 0.00 H new ATOM 449 N LYS A 27 -5.939 7.240 -1.928 1.00 0.00 N ATOM 450 CA LYS A 27 -5.170 8.052 -2.880 1.00 0.00 C ATOM 451 C LYS A 27 -4.607 9.301 -2.216 1.00 0.00 C ATOM 452 O LYS A 27 -3.545 9.795 -2.596 1.00 0.00 O ATOM 453 CB LYS A 27 -6.006 8.437 -4.108 1.00 0.00 C ATOM 454 CG LYS A 27 -6.411 7.258 -4.991 1.00 0.00 C ATOM 455 CD LYS A 27 -7.221 7.702 -6.211 1.00 0.00 C ATOM 456 CE LYS A 27 -6.416 8.629 -7.112 1.00 0.00 C ATOM 457 NZ LYS A 27 -7.163 9.037 -8.315 1.00 0.00 N ATOM 0 H LYS A 27 -6.936 7.183 -2.135 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.338 7.435 -3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.907 8.950 -3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.440 9.148 -4.710 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.517 6.731 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.998 6.552 -4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.536 6.826 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.127 8.211 -5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.127 9.517 -6.549 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.495 8.129 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.498 9.385 -9.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.686 8.221 -8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.832 9.794 -8.068 1.00 0.00 H new ATOM 471 N LYS A 28 -5.312 9.790 -1.218 1.00 0.00 N ATOM 472 CA LYS A 28 -4.874 10.946 -0.463 1.00 0.00 C ATOM 473 C LYS A 28 -3.617 10.604 0.337 1.00 0.00 C ATOM 474 O LYS A 28 -2.716 11.426 0.488 1.00 0.00 O ATOM 475 CB LYS A 28 -5.993 11.425 0.463 1.00 0.00 C ATOM 476 CG LYS A 28 -6.560 12.837 0.192 1.00 0.00 C ATOM 477 CD LYS A 28 -7.292 13.013 -1.166 1.00 0.00 C ATOM 478 CE LYS A 28 -6.348 13.126 -2.368 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.060 13.584 -3.583 1.00 0.00 N ATOM 0 H LYS A 28 -6.202 9.400 -0.908 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.633 11.753 -1.155 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.814 10.711 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.622 11.398 1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.253 13.092 0.994 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.740 13.554 0.239 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.961 12.166 -1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.914 13.907 -1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.543 13.822 -2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.886 12.158 -2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.389 13.648 -4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.812 12.906 -3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.479 14.519 -3.408 1.00 0.00 H new ATOM 493 N LYS A 29 -3.547 9.381 0.808 1.00 0.00 N ATOM 494 CA LYS A 29 -2.385 8.925 1.553 1.00 0.00 C ATOM 495 C LYS A 29 -1.257 8.591 0.627 1.00 0.00 C ATOM 496 O LYS A 29 -0.104 8.775 0.948 1.00 0.00 O ATOM 497 CB LYS A 29 -2.723 7.755 2.497 1.00 0.00 C ATOM 498 CG LYS A 29 -3.242 8.210 3.856 1.00 0.00 C ATOM 499 CD LYS A 29 -4.427 9.150 3.724 1.00 0.00 C ATOM 500 CE LYS A 29 -4.737 9.839 5.020 1.00 0.00 C ATOM 501 NZ LYS A 29 -3.559 10.568 5.550 1.00 0.00 N ATOM 0 H LYS A 29 -4.278 8.680 0.691 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.059 9.747 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.472 7.120 2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.832 7.144 2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.533 7.339 4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.441 8.710 4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.216 9.895 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.301 8.589 3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.561 10.537 4.873 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.070 9.104 5.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.867 11.471 5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.094 9.992 6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.888 10.753 4.777 1.00 0.00 H new ATOM 515 N LEU A 30 -1.599 8.152 -0.532 1.00 0.00 N ATOM 516 CA LEU A 30 -0.614 7.829 -1.532 1.00 0.00 C ATOM 517 C LEU A 30 0.117 9.066 -2.018 1.00 0.00 C ATOM 518 O LEU A 30 1.325 9.047 -2.132 1.00 0.00 O ATOM 519 CB LEU A 30 -1.215 7.054 -2.696 1.00 0.00 C ATOM 520 CG LEU A 30 -1.700 5.640 -2.379 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.372 5.026 -3.593 1.00 0.00 C ATOM 522 CD2 LEU A 30 -0.533 4.770 -1.929 1.00 0.00 C ATOM 0 H LEU A 30 -2.565 8.003 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 30 0.118 7.178 -1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.055 7.625 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.470 6.992 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.428 5.697 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.712 4.019 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.227 5.637 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.661 4.980 -4.418 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.893 3.765 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.212 4.721 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.082 5.200 -1.035 1.00 0.00 H new ATOM 534 N VAL A 31 -0.606 10.157 -2.244 1.00 0.00 N ATOM 535 CA VAL A 31 0.026 11.383 -2.732 1.00 0.00 C ATOM 536 C VAL A 31 1.002 11.956 -1.698 1.00 0.00 C ATOM 537 O VAL A 31 2.067 12.473 -2.055 1.00 0.00 O ATOM 538 CB VAL A 31 -1.007 12.464 -3.223 1.00 0.00 C ATOM 539 CG1 VAL A 31 -1.900 12.967 -2.112 1.00 0.00 C ATOM 540 CG2 VAL A 31 -0.312 13.622 -3.934 1.00 0.00 C ATOM 0 H VAL A 31 -1.614 10.221 -2.101 1.00 0.00 H new ATOM 0 HA VAL A 31 0.599 11.100 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.653 11.962 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.592 13.710 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.464 12.134 -1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.289 13.421 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.056 14.349 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.388 14.101 -3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.229 13.244 -4.802 1.00 0.00 H new ATOM 550 N GLU A 32 0.679 11.798 -0.419 1.00 0.00 N ATOM 551 CA GLU A 32 1.556 12.297 0.614 1.00 0.00 C ATOM 552 C GLU A 32 2.793 11.389 0.811 1.00 0.00 C ATOM 553 O GLU A 32 3.877 11.877 1.164 1.00 0.00 O ATOM 554 CB GLU A 32 0.810 12.570 1.939 1.00 0.00 C ATOM 555 CG GLU A 32 0.145 11.364 2.562 1.00 0.00 C ATOM 556 CD GLU A 32 -0.574 11.684 3.851 1.00 0.00 C ATOM 557 OE1 GLU A 32 0.104 11.900 4.874 1.00 0.00 O ATOM 558 OE2 GLU A 32 -1.831 11.709 3.876 1.00 0.00 O ATOM 0 H GLU A 32 -0.167 11.337 -0.085 1.00 0.00 H new ATOM 0 HA GLU A 32 1.927 13.262 0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.517 12.987 2.657 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.051 13.332 1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.566 10.941 1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.898 10.599 2.753 1.00 0.00 H new ATOM 565 N VAL A 33 2.665 10.082 0.552 1.00 0.00 N ATOM 566 CA VAL A 33 3.831 9.187 0.704 1.00 0.00 C ATOM 567 C VAL A 33 4.696 9.268 -0.512 1.00 0.00 C ATOM 568 O VAL A 33 5.858 8.956 -0.479 1.00 0.00 O ATOM 569 CB VAL A 33 3.476 7.702 0.994 1.00 0.00 C ATOM 570 CG1 VAL A 33 2.476 7.633 2.058 1.00 0.00 C ATOM 571 CG2 VAL A 33 3.016 6.934 -0.231 1.00 0.00 C ATOM 0 H VAL A 33 1.804 9.628 0.247 1.00 0.00 H new ATOM 0 HA VAL A 33 4.361 9.544 1.587 1.00 0.00 H new ATOM 0 HB VAL A 33 4.396 7.214 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.230 6.590 2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.875 8.092 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.577 8.165 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.786 5.906 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.124 7.406 -0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.807 6.938 -0.981 1.00 0.00 H new ATOM 581 N LEU A 34 4.129 9.723 -1.582 1.00 0.00 N ATOM 582 CA LEU A 34 4.896 9.882 -2.800 1.00 0.00 C ATOM 583 C LEU A 34 5.915 11.035 -2.687 1.00 0.00 C ATOM 584 O LEU A 34 6.765 11.226 -3.571 1.00 0.00 O ATOM 585 CB LEU A 34 4.015 10.035 -4.048 1.00 0.00 C ATOM 586 CG LEU A 34 3.218 8.802 -4.498 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.370 9.136 -5.702 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.146 7.665 -4.846 1.00 0.00 C ATOM 0 H LEU A 34 3.148 9.992 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 34 5.454 8.954 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.310 10.846 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.652 10.346 -4.876 1.00 0.00 H new ATOM 0 HG LEU A 34 2.575 8.498 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.811 8.252 -6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.674 9.935 -5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.012 9.462 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.561 6.801 -5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.808 7.971 -5.656 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.740 7.400 -3.972 1.00 0.00 H new ATOM 600 N GLU A 35 5.798 11.801 -1.611 1.00 0.00 N ATOM 601 CA GLU A 35 6.713 12.881 -1.304 1.00 0.00 C ATOM 602 C GLU A 35 7.836 12.361 -0.395 1.00 0.00 C ATOM 603 O GLU A 35 8.993 12.784 -0.495 1.00 0.00 O ATOM 604 CB GLU A 35 5.946 14.025 -0.636 1.00 0.00 C ATOM 605 CG GLU A 35 6.781 15.242 -0.321 1.00 0.00 C ATOM 606 CD GLU A 35 5.953 16.380 0.181 1.00 0.00 C ATOM 607 OE1 GLU A 35 5.397 17.127 -0.644 1.00 0.00 O ATOM 608 OE2 GLU A 35 5.819 16.547 1.402 1.00 0.00 O ATOM 0 H GLU A 35 5.055 11.685 -0.922 1.00 0.00 H new ATOM 0 HA GLU A 35 7.164 13.260 -2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.124 14.323 -1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.502 13.656 0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.530 14.983 0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.319 15.553 -1.217 1.00 0.00 H new ATOM 615 N SER A 36 7.473 11.450 0.477 1.00 0.00 N ATOM 616 CA SER A 36 8.377 10.789 1.388 1.00 0.00 C ATOM 617 C SER A 36 7.599 9.632 2.010 1.00 0.00 C ATOM 618 O SER A 36 6.723 9.846 2.854 1.00 0.00 O ATOM 619 CB SER A 36 8.903 11.757 2.481 1.00 0.00 C ATOM 620 OG SER A 36 9.898 11.134 3.292 1.00 0.00 O ATOM 0 H SER A 36 6.507 11.138 0.575 1.00 0.00 H new ATOM 0 HA SER A 36 9.259 10.431 0.856 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.320 12.648 2.011 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.074 12.086 3.108 1.00 0.00 H new ATOM 0 HG SER A 36 10.212 11.768 3.970 1.00 0.00 H new ATOM 626 N PRO A 37 7.840 8.398 1.557 1.00 0.00 N ATOM 627 CA PRO A 37 7.075 7.254 1.980 1.00 0.00 C ATOM 628 C PRO A 37 7.652 6.533 3.169 1.00 0.00 C ATOM 629 O PRO A 37 7.140 5.490 3.567 1.00 0.00 O ATOM 630 CB PRO A 37 7.083 6.369 0.748 1.00 0.00 C ATOM 631 CG PRO A 37 8.386 6.663 0.073 1.00 0.00 C ATOM 632 CD PRO A 37 8.845 8.022 0.554 1.00 0.00 C ATOM 0 HA PRO A 37 6.081 7.543 2.322 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.006 5.316 1.017 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.240 6.593 0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.125 5.900 0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 37 8.267 6.659 -1.010 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.844 7.976 0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.884 8.743 -0.263 1.00 0.00 H new ATOM 640 N ARG A 38 8.697 7.073 3.743 1.00 0.00 N ATOM 641 CA ARG A 38 9.265 6.473 4.915 1.00 0.00 C ATOM 642 C ARG A 38 8.480 6.900 6.127 1.00 0.00 C ATOM 643 O ARG A 38 8.774 7.926 6.749 1.00 0.00 O ATOM 644 CB ARG A 38 10.750 6.800 5.100 1.00 0.00 C ATOM 645 CG ARG A 38 11.694 6.107 4.133 1.00 0.00 C ATOM 646 CD ARG A 38 13.135 6.406 4.511 1.00 0.00 C ATOM 647 NE ARG A 38 14.109 5.591 3.776 1.00 0.00 N ATOM 648 CZ ARG A 38 15.110 4.895 4.369 1.00 0.00 C ATOM 649 NH1 ARG A 38 15.244 4.905 5.711 1.00 0.00 N ATOM 650 NH2 ARG A 38 15.955 4.178 3.633 1.00 0.00 N ATOM 0 H ARG A 38 9.166 7.919 3.419 1.00 0.00 H new ATOM 0 HA ARG A 38 9.204 5.392 4.787 1.00 0.00 H new ATOM 0 HB2 ARG A 38 10.883 7.877 5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.039 6.535 6.117 1.00 0.00 H new ATOM 0 HG2 ARG A 38 11.520 5.031 4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.498 6.445 3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.341 7.460 4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.265 6.239 5.580 1.00 0.00 H new ATOM 0 HE ARG A 38 14.028 5.545 2.760 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.590 5.438 6.285 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.999 4.380 6.152 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.851 4.151 2.619 1.00 0.00 H new ATOM 0 HH22 ARG A 38 16.707 3.656 4.083 1.00 0.00 H new ATOM 664 N ILE A 39 7.439 6.173 6.424 1.00 0.00 N ATOM 665 CA ILE A 39 6.645 6.477 7.542 1.00 0.00 C ATOM 666 C ILE A 39 6.700 5.284 8.430 1.00 0.00 C ATOM 667 O ILE A 39 5.818 4.426 8.410 1.00 0.00 O ATOM 668 CB ILE A 39 5.165 6.810 7.174 1.00 0.00 C ATOM 669 CG1 ILE A 39 5.111 7.867 6.044 1.00 0.00 C ATOM 670 CG2 ILE A 39 4.434 7.326 8.418 1.00 0.00 C ATOM 671 CD1 ILE A 39 3.709 8.259 5.619 1.00 0.00 C ATOM 0 H ILE A 39 7.133 5.360 5.890 1.00 0.00 H new ATOM 0 HA ILE A 39 7.030 7.374 8.027 1.00 0.00 H new ATOM 0 HB ILE A 39 4.675 5.904 6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.641 8.761 6.374 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.646 7.481 5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.400 7.559 8.162 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.452 6.561 9.194 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.929 8.226 8.784 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.764 9.003 4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.179 7.378 5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.174 8.678 6.471 1.00 0.00 H new ATOM 683 N GLU A 40 7.755 5.204 9.203 1.00 0.00 N ATOM 684 CA GLU A 40 7.974 4.051 10.024 1.00 0.00 C ATOM 685 C GLU A 40 7.131 4.061 11.265 1.00 0.00 C ATOM 686 O GLU A 40 7.191 3.148 12.081 1.00 0.00 O ATOM 687 CB GLU A 40 9.437 3.774 10.311 1.00 0.00 C ATOM 688 CG GLU A 40 10.250 4.894 10.892 1.00 0.00 C ATOM 689 CD GLU A 40 11.558 4.352 11.399 1.00 0.00 C ATOM 690 OE1 GLU A 40 12.314 3.736 10.618 1.00 0.00 O ATOM 691 OE2 GLU A 40 11.798 4.420 12.613 1.00 0.00 O ATOM 0 H GLU A 40 8.472 5.926 9.277 1.00 0.00 H new ATOM 0 HA GLU A 40 7.637 3.204 9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.492 2.928 10.996 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.910 3.462 9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.429 5.658 10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.703 5.372 11.704 1.00 0.00 H new ATOM 698 N ALA A 41 6.326 5.080 11.385 1.00 0.00 N ATOM 699 CA ALA A 41 5.313 5.145 12.397 1.00 0.00 C ATOM 700 C ALA A 41 4.240 4.082 12.107 1.00 0.00 C ATOM 701 O ALA A 41 3.507 3.675 12.993 1.00 0.00 O ATOM 702 CB ALA A 41 4.694 6.531 12.408 1.00 0.00 C ATOM 0 H ALA A 41 6.357 5.897 10.775 1.00 0.00 H new ATOM 0 HA ALA A 41 5.753 4.950 13.375 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.924 6.579 13.178 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.465 7.272 12.619 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.248 6.738 11.435 1.00 0.00 H new ATOM 708 N ASN A 42 4.176 3.643 10.847 1.00 0.00 N ATOM 709 CA ASN A 42 3.225 2.622 10.413 1.00 0.00 C ATOM 710 C ASN A 42 3.958 1.372 9.915 1.00 0.00 C ATOM 711 O ASN A 42 3.384 0.556 9.212 1.00 0.00 O ATOM 712 CB ASN A 42 2.344 3.203 9.308 1.00 0.00 C ATOM 713 CG ASN A 42 1.462 4.325 9.814 1.00 0.00 C ATOM 714 OD1 ASN A 42 0.952 4.287 10.934 1.00 0.00 O ATOM 715 ND2 ASN A 42 1.346 5.363 9.038 1.00 0.00 N ATOM 0 H ASN A 42 4.782 3.986 10.102 1.00 0.00 H new ATOM 0 HA ASN A 42 2.603 2.326 11.258 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.974 3.574 8.500 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.721 2.413 8.889 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.820 6.178 9.352 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.781 5.361 8.116 1.00 0.00 H new ATOM 722 N LYS A 43 5.237 1.270 10.280 1.00 0.00 N ATOM 723 CA LYS A 43 6.119 0.125 9.964 1.00 0.00 C ATOM 724 C LYS A 43 5.442 -1.229 10.236 1.00 0.00 C ATOM 725 O LYS A 43 4.821 -1.434 11.292 1.00 0.00 O ATOM 726 CB LYS A 43 7.376 0.241 10.824 1.00 0.00 C ATOM 727 CG LYS A 43 8.666 -0.084 10.109 1.00 0.00 C ATOM 728 CD LYS A 43 9.869 0.256 10.988 1.00 0.00 C ATOM 729 CE LYS A 43 11.171 0.246 10.198 1.00 0.00 C ATOM 730 NZ LYS A 43 12.275 0.925 10.925 1.00 0.00 N ATOM 0 H LYS A 43 5.709 1.997 10.818 1.00 0.00 H new ATOM 0 HA LYS A 43 6.357 0.159 8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.439 1.257 11.214 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.275 -0.424 11.682 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.687 -1.142 9.848 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.721 0.476 9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.724 1.239 11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.935 -0.461 11.806 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.457 -0.784 9.986 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.015 0.737 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.189 0.564 10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.223 1.950 10.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.187 0.737 11.944 1.00 0.00 H new ATOM 744 N LEU A 44 5.576 -2.132 9.281 1.00 0.00 N ATOM 745 CA LEU A 44 5.015 -3.458 9.378 1.00 0.00 C ATOM 746 C LEU A 44 5.896 -4.299 10.305 1.00 0.00 C ATOM 747 O LEU A 44 7.106 -4.027 10.446 1.00 0.00 O ATOM 748 CB LEU A 44 4.908 -4.097 7.973 1.00 0.00 C ATOM 749 CG LEU A 44 4.209 -5.464 7.881 1.00 0.00 C ATOM 750 CD1 LEU A 44 2.769 -5.369 8.342 1.00 0.00 C ATOM 751 CD2 LEU A 44 4.266 -6.008 6.466 1.00 0.00 C ATOM 0 H LEU A 44 6.082 -1.960 8.412 1.00 0.00 H new ATOM 0 HA LEU A 44 4.009 -3.409 9.794 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.378 -3.401 7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.916 -4.204 7.571 1.00 0.00 H new ATOM 0 HG LEU A 44 4.740 -6.151 8.540 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.298 -6.349 8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.740 -5.031 9.378 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.232 -4.659 7.713 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.765 -6.975 6.428 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.768 -5.314 5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.306 -6.126 6.163 1.00 0.00 H new ATOM 763 N ARG A 45 5.310 -5.331 10.892 1.00 0.00 N ATOM 764 CA ARG A 45 5.971 -6.133 11.908 1.00 0.00 C ATOM 765 C ARG A 45 7.256 -6.793 11.399 1.00 0.00 C ATOM 766 O ARG A 45 8.312 -6.621 11.986 1.00 0.00 O ATOM 767 CB ARG A 45 5.012 -7.197 12.468 1.00 0.00 C ATOM 768 CG ARG A 45 5.592 -8.035 13.612 1.00 0.00 C ATOM 769 CD ARG A 45 5.889 -7.177 14.836 1.00 0.00 C ATOM 770 NE ARG A 45 6.505 -7.952 15.916 1.00 0.00 N ATOM 771 CZ ARG A 45 6.687 -7.531 17.176 1.00 0.00 C ATOM 772 NH1 ARG A 45 6.287 -6.317 17.547 1.00 0.00 N ATOM 773 NH2 ARG A 45 7.271 -8.329 18.054 1.00 0.00 N ATOM 0 H ARG A 45 4.361 -5.636 10.676 1.00 0.00 H new ATOM 0 HA ARG A 45 6.258 -5.449 12.707 1.00 0.00 H new ATOM 0 HB2 ARG A 45 4.106 -6.703 12.819 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.717 -7.865 11.658 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.888 -8.823 13.880 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.507 -8.525 13.279 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.552 -6.360 14.553 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.964 -6.727 15.196 1.00 0.00 H new ATOM 0 HE ARG A 45 6.823 -8.894 15.690 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.838 -5.699 16.871 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.429 -6.005 18.507 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.580 -9.259 17.771 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.412 -8.015 19.014 1.00 0.00 H new ATOM 787 N GLY A 46 7.165 -7.509 10.304 1.00 0.00 N ATOM 788 CA GLY A 46 8.315 -8.247 9.836 1.00 0.00 C ATOM 789 C GLY A 46 8.925 -7.698 8.573 1.00 0.00 C ATOM 790 O GLY A 46 9.693 -8.386 7.915 1.00 0.00 O ATOM 0 H GLY A 46 6.326 -7.597 9.730 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.073 -8.254 10.620 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.024 -9.283 9.665 1.00 0.00 H new ATOM 794 N MET A 47 8.594 -6.470 8.226 1.00 0.00 N ATOM 795 CA MET A 47 9.114 -5.854 7.000 1.00 0.00 C ATOM 796 C MET A 47 9.380 -4.375 7.258 1.00 0.00 C ATOM 797 O MET A 47 8.451 -3.580 7.268 1.00 0.00 O ATOM 798 CB MET A 47 8.113 -5.979 5.836 1.00 0.00 C ATOM 799 CG MET A 47 7.745 -7.394 5.392 1.00 0.00 C ATOM 800 SD MET A 47 9.123 -8.325 4.692 1.00 0.00 S ATOM 801 CE MET A 47 8.297 -9.874 4.319 1.00 0.00 C ATOM 0 H MET A 47 7.970 -5.872 8.768 1.00 0.00 H new ATOM 0 HA MET A 47 10.032 -6.373 6.724 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.196 -5.463 6.120 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.524 -5.449 4.976 1.00 0.00 H new ATOM 0 HG2 MET A 47 7.348 -7.940 6.247 1.00 0.00 H new ATOM 0 HG3 MET A 47 6.946 -7.336 4.652 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.042 -10.652 4.149 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.661 -10.158 5.157 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.686 -9.754 3.424 1.00 0.00 H new ATOM 811 N PRO A 48 10.639 -3.998 7.517 1.00 0.00 N ATOM 812 CA PRO A 48 11.019 -2.602 7.815 1.00 0.00 C ATOM 813 C PRO A 48 10.696 -1.588 6.694 1.00 0.00 C ATOM 814 O PRO A 48 10.424 -0.411 6.974 1.00 0.00 O ATOM 815 CB PRO A 48 12.534 -2.678 8.032 1.00 0.00 C ATOM 816 CG PRO A 48 12.795 -4.096 8.380 1.00 0.00 C ATOM 817 CD PRO A 48 11.802 -4.902 7.597 1.00 0.00 C ATOM 0 HA PRO A 48 10.451 -2.234 8.669 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.078 -2.384 7.134 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.853 -2.009 8.831 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.816 -4.379 8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.676 -4.263 9.451 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.181 -5.162 6.609 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.554 -5.837 8.099 1.00 0.00 H new ATOM 825 N ASP A 49 10.720 -2.029 5.445 1.00 0.00 N ATOM 826 CA ASP A 49 10.464 -1.122 4.308 1.00 0.00 C ATOM 827 C ASP A 49 9.032 -1.200 3.859 1.00 0.00 C ATOM 828 O ASP A 49 8.648 -0.583 2.862 1.00 0.00 O ATOM 829 CB ASP A 49 11.381 -1.403 3.108 1.00 0.00 C ATOM 830 CG ASP A 49 12.834 -1.202 3.412 1.00 0.00 C ATOM 831 OD1 ASP A 49 13.304 -0.030 3.439 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.549 -2.202 3.622 1.00 0.00 O ATOM 0 H ASP A 49 10.911 -2.996 5.182 1.00 0.00 H new ATOM 0 HA ASP A 49 10.680 -0.118 4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.226 -2.429 2.773 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.096 -0.751 2.282 1.00 0.00 H new ATOM 837 N CYS A 50 8.244 -1.941 4.573 1.00 0.00 N ATOM 838 CA CYS A 50 6.860 -2.067 4.257 1.00 0.00 C ATOM 839 C CYS A 50 6.085 -1.393 5.361 1.00 0.00 C ATOM 840 O CYS A 50 6.448 -1.502 6.529 1.00 0.00 O ATOM 841 CB CYS A 50 6.477 -3.538 4.115 1.00 0.00 C ATOM 842 SG CYS A 50 4.810 -3.844 3.508 1.00 0.00 S ATOM 0 H CYS A 50 8.543 -2.474 5.390 1.00 0.00 H new ATOM 0 HA CYS A 50 6.631 -1.592 3.303 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.186 -4.017 3.439 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.586 -4.020 5.086 1.00 0.00 H new ATOM 0 HG CYS A 50 4.402 -2.816 2.825 1.00 0.00 H new ATOM 848 N TYR A 51 5.076 -0.662 5.004 1.00 0.00 N ATOM 849 CA TYR A 51 4.303 0.088 5.952 1.00 0.00 C ATOM 850 C TYR A 51 2.845 -0.162 5.661 1.00 0.00 C ATOM 851 O TYR A 51 2.456 -0.320 4.488 1.00 0.00 O ATOM 852 CB TYR A 51 4.631 1.593 5.825 1.00 0.00 C ATOM 853 CG TYR A 51 6.123 1.880 5.842 1.00 0.00 C ATOM 854 CD1 TYR A 51 6.827 1.922 7.025 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.826 2.061 4.665 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.188 2.142 7.036 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.184 2.268 4.672 1.00 0.00 C ATOM 858 CZ TYR A 51 8.855 2.309 5.854 1.00 0.00 C ATOM 859 OH TYR A 51 10.213 2.503 5.858 1.00 0.00 O ATOM 0 H TYR A 51 4.760 -0.566 4.039 1.00 0.00 H new ATOM 0 HA TYR A 51 4.538 -0.222 6.970 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.204 1.975 4.898 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.154 2.133 6.642 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.304 1.780 7.959 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.298 2.039 3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.724 2.182 7.973 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.717 2.398 3.742 1.00 0.00 H new ATOM 0 HH TYR A 51 10.657 1.701 6.205 1.00 0.00 H new ATOM 869 N LYS A 52 2.051 -0.228 6.688 1.00 0.00 N ATOM 870 CA LYS A 52 0.662 -0.483 6.537 1.00 0.00 C ATOM 871 C LYS A 52 -0.149 0.684 7.068 1.00 0.00 C ATOM 872 O LYS A 52 0.009 1.112 8.202 1.00 0.00 O ATOM 873 CB LYS A 52 0.259 -1.891 7.127 1.00 0.00 C ATOM 874 CG LYS A 52 0.495 -2.121 8.636 1.00 0.00 C ATOM 875 CD LYS A 52 -0.599 -1.477 9.465 1.00 0.00 C ATOM 876 CE LYS A 52 -0.291 -1.467 10.944 1.00 0.00 C ATOM 877 NZ LYS A 52 -0.389 -2.792 11.592 1.00 0.00 N ATOM 0 H LYS A 52 2.356 -0.105 7.654 1.00 0.00 H new ATOM 0 HA LYS A 52 0.422 -0.556 5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.800 -2.052 6.923 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.809 -2.656 6.579 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.530 -3.191 8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.463 -1.709 8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.750 -0.453 9.124 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.535 -2.010 9.298 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.716 -1.076 11.091 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.975 -0.780 11.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.230 -2.691 12.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.335 -3.190 11.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.330 -3.428 11.192 1.00 0.00 H new ATOM 891 N ILE A 53 -0.944 1.240 6.223 1.00 0.00 N ATOM 892 CA ILE A 53 -1.801 2.319 6.596 1.00 0.00 C ATOM 893 C ILE A 53 -3.208 1.777 6.649 1.00 0.00 C ATOM 894 O ILE A 53 -3.631 1.056 5.756 1.00 0.00 O ATOM 895 CB ILE A 53 -1.706 3.503 5.588 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.241 3.969 5.470 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.608 4.666 6.027 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.021 5.121 4.503 1.00 0.00 C ATOM 0 H ILE A 53 -1.021 0.960 5.245 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.500 2.714 7.566 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.050 3.162 4.612 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.113 4.267 6.457 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.371 3.124 5.154 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.526 5.482 5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.643 4.326 6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.297 5.017 7.011 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.037 5.383 4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.340 4.823 3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.602 5.984 4.827 1.00 0.00 H new ATOM 910 N LYS A 54 -3.901 2.065 7.694 1.00 0.00 N ATOM 911 CA LYS A 54 -5.226 1.576 7.858 1.00 0.00 C ATOM 912 C LYS A 54 -6.185 2.706 8.076 1.00 0.00 C ATOM 913 O LYS A 54 -5.858 3.697 8.728 1.00 0.00 O ATOM 914 CB LYS A 54 -5.280 0.484 8.959 1.00 0.00 C ATOM 915 CG LYS A 54 -4.663 0.873 10.305 1.00 0.00 C ATOM 916 CD LYS A 54 -5.539 1.828 11.138 1.00 0.00 C ATOM 917 CE LYS A 54 -6.699 1.130 11.864 1.00 0.00 C ATOM 918 NZ LYS A 54 -7.615 0.356 10.989 1.00 0.00 N ATOM 0 H LYS A 54 -3.565 2.647 8.461 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.545 1.086 6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.322 0.209 9.123 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.770 -0.406 8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.477 -0.032 10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.696 1.343 10.128 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.913 2.332 11.874 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.944 2.599 10.483 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.285 0.458 12.615 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.280 1.883 12.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.436 0.036 11.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.939 0.959 10.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.113 -0.470 10.605 1.00 0.00 H new ATOM 932 N LEU A 55 -7.332 2.585 7.496 1.00 0.00 N ATOM 933 CA LEU A 55 -8.356 3.564 7.640 1.00 0.00 C ATOM 934 C LEU A 55 -9.069 3.301 8.942 1.00 0.00 C ATOM 935 O LEU A 55 -9.218 2.131 9.353 1.00 0.00 O ATOM 936 CB LEU A 55 -9.314 3.505 6.446 1.00 0.00 C ATOM 937 CG LEU A 55 -8.675 3.772 5.069 1.00 0.00 C ATOM 938 CD1 LEU A 55 -9.687 3.585 3.957 1.00 0.00 C ATOM 939 CD2 LEU A 55 -8.077 5.174 5.009 1.00 0.00 C ATOM 0 H LEU A 55 -7.587 1.796 6.903 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.933 4.568 7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.781 2.520 6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.110 4.232 6.605 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.872 3.048 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.211 3.779 2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.063 2.562 3.976 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.516 4.279 4.099 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.632 5.338 4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.861 5.912 5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.310 5.275 5.777 1.00 0.00 H new ATOM 951 N ARG A 56 -9.470 4.355 9.602 1.00 0.00 N ATOM 952 CA ARG A 56 -10.074 4.258 10.911 1.00 0.00 C ATOM 953 C ARG A 56 -11.457 3.618 10.854 1.00 0.00 C ATOM 954 O ARG A 56 -11.638 2.494 11.297 1.00 0.00 O ATOM 955 CB ARG A 56 -10.109 5.643 11.561 1.00 0.00 C ATOM 956 CG ARG A 56 -10.667 5.695 12.973 1.00 0.00 C ATOM 957 CD ARG A 56 -10.471 7.082 13.563 1.00 0.00 C ATOM 958 NE ARG A 56 -9.038 7.416 13.672 1.00 0.00 N ATOM 959 CZ ARG A 56 -8.523 8.651 13.750 1.00 0.00 C ATOM 960 NH1 ARG A 56 -9.313 9.709 13.755 1.00 0.00 N ATOM 961 NH2 ARG A 56 -7.210 8.811 13.836 1.00 0.00 N ATOM 0 H ARG A 56 -9.388 5.309 9.249 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.464 3.599 11.529 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.095 6.043 11.576 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.703 6.305 10.931 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.727 5.443 12.963 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.169 4.953 13.597 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.973 7.821 12.938 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.935 7.130 14.548 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.380 6.637 13.690 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -10.325 9.590 13.699 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.912 10.645 13.815 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.596 7.996 13.843 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.813 9.749 13.896 1.00 0.00 H new ATOM 975 N SER A 57 -12.401 4.293 10.264 1.00 0.00 N ATOM 976 CA SER A 57 -13.763 3.809 10.258 1.00 0.00 C ATOM 977 C SER A 57 -14.104 2.952 9.026 1.00 0.00 C ATOM 978 O SER A 57 -15.071 2.181 9.052 1.00 0.00 O ATOM 979 CB SER A 57 -14.695 4.994 10.408 1.00 0.00 C ATOM 980 OG SER A 57 -14.325 5.730 11.570 1.00 0.00 O ATOM 0 H SER A 57 -12.259 5.180 9.780 1.00 0.00 H new ATOM 0 HA SER A 57 -13.891 3.131 11.102 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.639 5.631 9.525 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.727 4.653 10.491 1.00 0.00 H new ATOM 0 HG SER A 57 -14.922 6.500 11.674 1.00 0.00 H new ATOM 986 N SER A 58 -13.311 3.048 7.973 1.00 0.00 N ATOM 987 CA SER A 58 -13.590 2.290 6.764 1.00 0.00 C ATOM 988 C SER A 58 -13.221 0.798 6.932 1.00 0.00 C ATOM 989 O SER A 58 -13.888 -0.077 6.391 1.00 0.00 O ATOM 990 CB SER A 58 -12.835 2.895 5.596 1.00 0.00 C ATOM 991 OG SER A 58 -13.032 4.300 5.548 1.00 0.00 O ATOM 0 H SER A 58 -12.478 3.636 7.929 1.00 0.00 H new ATOM 0 HA SER A 58 -14.661 2.342 6.568 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.772 2.674 5.690 1.00 0.00 H new ATOM 0 HB3 SER A 58 -13.173 2.443 4.664 1.00 0.00 H new ATOM 0 HG SER A 58 -12.168 4.755 5.633 1.00 0.00 H new ATOM 997 N GLY A 59 -12.150 0.526 7.677 1.00 0.00 N ATOM 998 CA GLY A 59 -11.735 -0.854 7.917 1.00 0.00 C ATOM 999 C GLY A 59 -10.748 -1.364 6.879 1.00 0.00 C ATOM 1000 O GLY A 59 -10.071 -2.368 7.094 1.00 0.00 O ATOM 0 H GLY A 59 -11.562 1.232 8.119 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.283 -0.925 8.906 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.615 -1.497 7.921 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.660 -0.667 5.769 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.758 -1.042 4.700 1.00 0.00 C ATOM 1006 C TYR A 60 -8.346 -0.585 5.001 1.00 0.00 C ATOM 1007 O TYR A 60 -8.127 0.233 5.889 1.00 0.00 O ATOM 1008 CB TYR A 60 -10.228 -0.482 3.367 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.538 -1.057 2.880 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.750 -0.579 3.350 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.558 -2.071 1.946 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.939 -1.097 2.898 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.744 -2.592 1.488 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.931 -2.103 1.967 1.00 0.00 C ATOM 1015 OH TYR A 60 -15.113 -2.628 1.515 1.00 0.00 O ATOM 0 H TYR A 60 -11.208 0.172 5.581 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.758 -2.130 4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -10.330 0.600 3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.460 -0.669 2.616 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.760 0.214 4.084 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.625 -2.463 1.568 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.876 -0.713 3.274 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.741 -3.384 0.753 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.929 -3.331 0.858 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.407 -1.112 4.266 1.00 0.00 N ATOM 1026 CA ARG A 61 -6.002 -0.877 4.485 1.00 0.00 C ATOM 1027 C ARG A 61 -5.303 -0.756 3.153 1.00 0.00 C ATOM 1028 O ARG A 61 -5.878 -1.088 2.110 1.00 0.00 O ATOM 1029 CB ARG A 61 -5.411 -2.103 5.156 1.00 0.00 C ATOM 1030 CG ARG A 61 -6.087 -2.510 6.428 1.00 0.00 C ATOM 1031 CD ARG A 61 -5.572 -3.836 6.876 1.00 0.00 C ATOM 1032 NE ARG A 61 -6.160 -4.228 8.140 1.00 0.00 N ATOM 1033 CZ ARG A 61 -5.539 -4.164 9.314 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -4.288 -3.703 9.380 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -6.163 -4.552 10.416 1.00 0.00 N ATOM 0 H ARG A 61 -7.599 -1.732 3.479 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.878 0.025 5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.452 -2.938 4.456 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.358 -1.913 5.365 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.909 -1.761 7.200 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.165 -2.561 6.276 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.794 -4.589 6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.487 -3.793 6.975 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.118 -4.578 8.129 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.810 -3.401 8.531 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.810 -3.653 10.280 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.120 -4.900 10.364 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.686 -4.503 11.316 1.00 0.00 H new ATOM 1049 N LEU A 62 -4.079 -0.330 3.203 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.203 -0.286 2.078 1.00 0.00 C ATOM 1051 C LEU A 62 -1.803 -0.539 2.606 1.00 0.00 C ATOM 1052 O LEU A 62 -1.316 0.170 3.480 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.342 1.052 1.318 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.526 1.224 0.021 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.170 2.285 -0.847 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.089 1.647 0.328 1.00 0.00 C ATOM 0 H LEU A 62 -3.648 0.009 4.063 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.453 -1.050 1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.395 1.192 1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.064 1.856 1.999 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.510 0.266 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.592 2.405 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.187 1.983 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.195 3.231 -0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.536 1.761 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.096 2.596 0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.609 0.886 0.943 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.206 -1.573 2.118 1.00 0.00 N ATOM 1069 CA VAL A 63 0.084 -2.036 2.555 1.00 0.00 C ATOM 1070 C VAL A 63 1.061 -1.875 1.407 1.00 0.00 C ATOM 1071 O VAL A 63 0.905 -2.517 0.356 1.00 0.00 O ATOM 1072 CB VAL A 63 -0.010 -3.536 2.969 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.310 -4.060 3.498 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -1.127 -3.744 3.991 1.00 0.00 C ATOM 0 H VAL A 63 -1.610 -2.145 1.377 1.00 0.00 H new ATOM 0 HA VAL A 63 0.422 -1.458 3.415 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.249 -4.108 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.201 -5.109 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.074 -3.966 2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.606 -3.482 4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.176 -4.797 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.924 -3.145 4.879 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.079 -3.438 3.557 1.00 0.00 H new ATOM 1084 N TYR A 64 2.038 -1.024 1.580 1.00 0.00 N ATOM 1085 CA TYR A 64 2.977 -0.737 0.515 1.00 0.00 C ATOM 1086 C TYR A 64 4.389 -1.001 0.971 1.00 0.00 C ATOM 1087 O TYR A 64 4.626 -1.217 2.145 1.00 0.00 O ATOM 1088 CB TYR A 64 2.832 0.724 0.022 1.00 0.00 C ATOM 1089 CG TYR A 64 3.216 1.790 1.043 1.00 0.00 C ATOM 1090 CD1 TYR A 64 2.320 2.211 2.018 1.00 0.00 C ATOM 1091 CD2 TYR A 64 4.484 2.364 1.031 1.00 0.00 C ATOM 1092 CE1 TYR A 64 2.676 3.168 2.948 1.00 0.00 C ATOM 1093 CE2 TYR A 64 4.844 3.318 1.959 1.00 0.00 C ATOM 1094 CZ TYR A 64 3.941 3.716 2.916 1.00 0.00 C ATOM 1095 OH TYR A 64 4.304 4.667 3.850 1.00 0.00 O ATOM 0 H TYR A 64 2.209 -0.515 2.447 1.00 0.00 H new ATOM 0 HA TYR A 64 2.750 -1.399 -0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.449 0.855 -0.867 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.798 0.888 -0.281 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.329 1.783 2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.198 2.057 0.282 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.966 3.486 3.697 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.833 3.751 1.934 1.00 0.00 H new ATOM 0 HH TYR A 64 5.238 4.926 3.707 1.00 0.00 H new ATOM 1105 N GLN A 65 5.301 -0.988 0.055 1.00 0.00 N ATOM 1106 CA GLN A 65 6.685 -1.179 0.337 1.00 0.00 C ATOM 1107 C GLN A 65 7.444 -0.075 -0.367 1.00 0.00 C ATOM 1108 O GLN A 65 7.090 0.312 -1.492 1.00 0.00 O ATOM 1109 CB GLN A 65 7.140 -2.541 -0.172 1.00 0.00 C ATOM 1110 CG GLN A 65 8.541 -2.947 0.275 1.00 0.00 C ATOM 1111 CD GLN A 65 9.000 -4.247 -0.352 1.00 0.00 C ATOM 1112 OE1 GLN A 65 9.749 -5.010 0.247 1.00 0.00 O ATOM 1113 NE2 GLN A 65 8.593 -4.486 -1.574 1.00 0.00 N ATOM 0 H GLN A 65 5.099 -0.841 -0.934 1.00 0.00 H new ATOM 0 HA GLN A 65 6.869 -1.146 1.411 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.431 -3.297 0.166 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.107 -2.537 -1.261 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.244 -2.155 0.016 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.557 -3.046 1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.969 -3.828 -2.042 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.900 -5.330 -2.058 1.00 0.00 H new ATOM 1122 N VAL A 66 8.437 0.443 0.278 1.00 0.00 N ATOM 1123 CA VAL A 66 9.220 1.518 -0.271 1.00 0.00 C ATOM 1124 C VAL A 66 10.469 0.969 -0.909 1.00 0.00 C ATOM 1125 O VAL A 66 11.290 0.329 -0.247 1.00 0.00 O ATOM 1126 CB VAL A 66 9.597 2.555 0.812 1.00 0.00 C ATOM 1127 CG1 VAL A 66 10.464 3.673 0.238 1.00 0.00 C ATOM 1128 CG2 VAL A 66 8.346 3.131 1.404 1.00 0.00 C ATOM 0 H VAL A 66 8.735 0.137 1.204 1.00 0.00 H new ATOM 0 HA VAL A 66 8.615 2.022 -1.024 1.00 0.00 H new ATOM 0 HB VAL A 66 10.176 2.049 1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.710 4.384 1.027 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.382 3.249 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.919 4.185 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.608 3.863 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.763 3.617 0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.755 2.333 1.854 1.00 0.00 H new ATOM 1138 N ILE A 67 10.590 1.182 -2.182 1.00 0.00 N ATOM 1139 CA ILE A 67 11.741 0.750 -2.911 1.00 0.00 C ATOM 1140 C ILE A 67 12.567 1.987 -3.238 1.00 0.00 C ATOM 1141 O ILE A 67 12.126 2.843 -4.002 1.00 0.00 O ATOM 1142 CB ILE A 67 11.331 0.034 -4.219 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.273 -1.046 -3.932 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.550 -0.612 -4.848 1.00 0.00 C ATOM 1145 CD1 ILE A 67 9.810 -1.806 -5.161 1.00 0.00 C ATOM 0 H ILE A 67 9.890 1.663 -2.747 1.00 0.00 H new ATOM 0 HA ILE A 67 12.315 0.042 -2.313 1.00 0.00 H new ATOM 0 HB ILE A 67 10.908 0.770 -4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.681 -1.756 -3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.409 -0.576 -3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.260 -1.116 -5.770 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.293 0.154 -5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.975 -1.338 -4.155 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.065 -2.547 -4.871 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.370 -1.110 -5.875 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.662 -2.308 -5.621 1.00 0.00 H new ATOM 1157 N ASP A 68 13.734 2.089 -2.656 1.00 0.00 N ATOM 1158 CA ASP A 68 14.573 3.281 -2.810 1.00 0.00 C ATOM 1159 C ASP A 68 15.356 3.261 -4.114 1.00 0.00 C ATOM 1160 O ASP A 68 15.530 4.300 -4.762 1.00 0.00 O ATOM 1161 CB ASP A 68 15.527 3.429 -1.623 1.00 0.00 C ATOM 1162 CG ASP A 68 16.378 4.678 -1.712 1.00 0.00 C ATOM 1163 OD1 ASP A 68 15.868 5.781 -1.430 1.00 0.00 O ATOM 1164 OD2 ASP A 68 17.577 4.586 -2.046 1.00 0.00 O ATOM 0 H ASP A 68 14.139 1.364 -2.065 1.00 0.00 H new ATOM 0 HA ASP A 68 13.905 4.142 -2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.950 3.452 -0.699 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.176 2.555 -1.572 1.00 0.00 H new ATOM 1169 N GLU A 69 15.789 2.077 -4.512 1.00 0.00 N ATOM 1170 CA GLU A 69 16.563 1.897 -5.732 1.00 0.00 C ATOM 1171 C GLU A 69 15.714 2.162 -6.972 1.00 0.00 C ATOM 1172 O GLU A 69 16.167 2.756 -7.933 1.00 0.00 O ATOM 1173 CB GLU A 69 17.235 0.496 -5.807 1.00 0.00 C ATOM 1174 CG GLU A 69 16.310 -0.718 -5.629 1.00 0.00 C ATOM 1175 CD GLU A 69 16.025 -1.074 -4.179 1.00 0.00 C ATOM 1176 OE1 GLU A 69 15.353 -0.300 -3.470 1.00 0.00 O ATOM 1177 OE2 GLU A 69 16.438 -2.162 -3.734 1.00 0.00 O ATOM 0 H GLU A 69 15.615 1.212 -4.000 1.00 0.00 H new ATOM 0 HA GLU A 69 17.365 2.635 -5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 69 17.732 0.407 -6.773 1.00 0.00 H new ATOM 0 HB3 GLU A 69 18.011 0.448 -5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.366 -0.519 -6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.760 -1.580 -6.122 1.00 0.00 H new ATOM 1184 N LYS A 70 14.471 1.745 -6.921 1.00 0.00 N ATOM 1185 CA LYS A 70 13.546 1.958 -8.027 1.00 0.00 C ATOM 1186 C LYS A 70 12.834 3.290 -7.889 1.00 0.00 C ATOM 1187 O LYS A 70 12.251 3.787 -8.852 1.00 0.00 O ATOM 1188 CB LYS A 70 12.505 0.847 -8.095 1.00 0.00 C ATOM 1189 CG LYS A 70 13.008 -0.506 -8.548 1.00 0.00 C ATOM 1190 CD LYS A 70 11.842 -1.482 -8.620 1.00 0.00 C ATOM 1191 CE LYS A 70 12.245 -2.836 -9.160 1.00 0.00 C ATOM 1192 NZ LYS A 70 11.094 -3.762 -9.194 1.00 0.00 N ATOM 0 H LYS A 70 14.068 1.253 -6.124 1.00 0.00 H new ATOM 0 HA LYS A 70 14.136 1.954 -8.944 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.058 0.734 -7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.710 1.162 -8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.485 -0.420 -9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.764 -0.876 -7.855 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.415 -1.605 -7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.060 -1.061 -9.253 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.654 -2.723 -10.164 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.036 -3.257 -8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.400 -4.683 -9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.720 -3.887 -8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.350 -3.369 -9.806 1.00 0.00 H new ATOM 1206 N VAL A 71 12.905 3.848 -6.683 1.00 0.00 N ATOM 1207 CA VAL A 71 12.236 5.096 -6.297 1.00 0.00 C ATOM 1208 C VAL A 71 10.742 4.961 -6.528 1.00 0.00 C ATOM 1209 O VAL A 71 10.158 5.641 -7.362 1.00 0.00 O ATOM 1210 CB VAL A 71 12.753 6.350 -7.062 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.303 7.614 -6.364 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.247 6.332 -7.213 1.00 0.00 C ATOM 0 H VAL A 71 13.445 3.435 -5.922 1.00 0.00 H new ATOM 0 HA VAL A 71 12.465 5.252 -5.243 1.00 0.00 H new ATOM 0 HB VAL A 71 12.324 6.328 -8.064 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.672 8.482 -6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.214 7.643 -6.330 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.698 7.629 -5.348 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.569 7.223 -7.752 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.712 6.316 -6.227 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.546 5.444 -7.770 1.00 0.00 H new ATOM 1222 N VAL A 72 10.123 4.072 -5.817 1.00 0.00 N ATOM 1223 CA VAL A 72 8.741 3.830 -6.062 1.00 0.00 C ATOM 1224 C VAL A 72 8.037 3.282 -4.831 1.00 0.00 C ATOM 1225 O VAL A 72 8.635 2.561 -4.011 1.00 0.00 O ATOM 1226 CB VAL A 72 8.566 2.867 -7.283 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.149 1.492 -7.021 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.130 2.765 -7.704 1.00 0.00 C ATOM 0 H VAL A 72 10.545 3.512 -5.076 1.00 0.00 H new ATOM 0 HA VAL A 72 8.273 4.785 -6.301 1.00 0.00 H new ATOM 0 HB VAL A 72 9.130 3.307 -8.106 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.002 0.861 -7.898 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.215 1.582 -6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.649 1.042 -6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.047 2.088 -8.554 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.534 2.382 -6.876 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.763 3.751 -7.989 1.00 0.00 H new ATOM 1238 N VAL A 73 6.808 3.685 -4.675 1.00 0.00 N ATOM 1239 CA VAL A 73 5.943 3.171 -3.674 1.00 0.00 C ATOM 1240 C VAL A 73 5.191 2.024 -4.303 1.00 0.00 C ATOM 1241 O VAL A 73 4.261 2.225 -5.089 1.00 0.00 O ATOM 1242 CB VAL A 73 4.958 4.258 -3.191 1.00 0.00 C ATOM 1243 CG1 VAL A 73 3.987 3.716 -2.154 1.00 0.00 C ATOM 1244 CG2 VAL A 73 5.732 5.430 -2.635 1.00 0.00 C ATOM 0 H VAL A 73 6.377 4.400 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 73 6.510 2.842 -2.803 1.00 0.00 H new ATOM 0 HB VAL A 73 4.366 4.587 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.310 4.510 -1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.410 2.899 -2.588 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.543 3.350 -1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.036 6.197 -2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.344 5.097 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.375 5.843 -3.412 1.00 0.00 H new ATOM 1254 N PHE A 74 5.646 0.844 -4.027 1.00 0.00 N ATOM 1255 CA PHE A 74 5.085 -0.331 -4.607 1.00 0.00 C ATOM 1256 C PHE A 74 4.096 -0.951 -3.645 1.00 0.00 C ATOM 1257 O PHE A 74 4.475 -1.596 -2.675 1.00 0.00 O ATOM 1258 CB PHE A 74 6.207 -1.306 -5.006 1.00 0.00 C ATOM 1259 CG PHE A 74 5.755 -2.630 -5.563 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.652 -2.720 -6.392 1.00 0.00 C ATOM 1261 CD2 PHE A 74 6.452 -3.787 -5.260 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.253 -3.929 -6.897 1.00 0.00 C ATOM 1263 CE2 PHE A 74 6.053 -5.002 -5.767 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.950 -5.070 -6.585 1.00 0.00 C ATOM 0 H PHE A 74 6.422 0.669 -3.389 1.00 0.00 H new ATOM 0 HA PHE A 74 4.541 -0.077 -5.517 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.840 -0.818 -5.747 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.828 -1.494 -4.130 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.099 -1.827 -6.644 1.00 0.00 H new ATOM 0 HD2 PHE A 74 7.319 -3.735 -4.618 1.00 0.00 H new ATOM 0 HE1 PHE A 74 3.388 -3.985 -7.542 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.604 -5.899 -5.524 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.631 -6.022 -6.983 1.00 0.00 H new ATOM 1274 N VAL A 75 2.846 -0.698 -3.890 1.00 0.00 N ATOM 1275 CA VAL A 75 1.784 -1.206 -3.073 1.00 0.00 C ATOM 1276 C VAL A 75 1.595 -2.687 -3.356 1.00 0.00 C ATOM 1277 O VAL A 75 1.403 -3.094 -4.501 1.00 0.00 O ATOM 1278 CB VAL A 75 0.470 -0.448 -3.319 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -0.606 -0.914 -2.354 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.685 1.057 -3.207 1.00 0.00 C ATOM 0 H VAL A 75 2.530 -0.126 -4.673 1.00 0.00 H new ATOM 0 HA VAL A 75 2.056 -1.061 -2.027 1.00 0.00 H new ATOM 0 HB VAL A 75 0.135 -0.666 -4.333 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.528 -0.365 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.783 -1.980 -2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.280 -0.731 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.258 1.574 -3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.049 1.299 -2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.418 1.376 -3.948 1.00 0.00 H new ATOM 1290 N ILE A 76 1.662 -3.473 -2.318 1.00 0.00 N ATOM 1291 CA ILE A 76 1.604 -4.907 -2.434 1.00 0.00 C ATOM 1292 C ILE A 76 0.169 -5.396 -2.283 1.00 0.00 C ATOM 1293 O ILE A 76 -0.291 -6.276 -3.013 1.00 0.00 O ATOM 1294 CB ILE A 76 2.473 -5.580 -1.342 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.892 -4.959 -1.300 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.553 -7.089 -1.591 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.734 -5.223 -2.525 1.00 0.00 C ATOM 0 H ILE A 76 1.759 -3.136 -1.360 1.00 0.00 H new ATOM 0 HA ILE A 76 1.984 -5.175 -3.420 1.00 0.00 H new ATOM 0 HB ILE A 76 2.004 -5.407 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.798 -3.881 -1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.416 -5.344 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.166 -7.553 -0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.550 -7.516 -1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.000 -7.273 -2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.709 -4.750 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.865 -6.298 -2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.237 -4.812 -3.404 1.00 0.00 H new ATOM 1309 N SER A 77 -0.536 -4.858 -1.323 1.00 0.00 N ATOM 1310 CA SER A 77 -1.887 -5.286 -1.078 1.00 0.00 C ATOM 1311 C SER A 77 -2.744 -4.115 -0.670 1.00 0.00 C ATOM 1312 O SER A 77 -2.243 -3.138 -0.146 1.00 0.00 O ATOM 1313 CB SER A 77 -1.897 -6.370 0.001 1.00 0.00 C ATOM 1314 OG SER A 77 -1.083 -7.459 -0.394 1.00 0.00 O ATOM 0 H SER A 77 -0.198 -4.125 -0.700 1.00 0.00 H new ATOM 0 HA SER A 77 -2.302 -5.703 -1.996 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.535 -5.959 0.943 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.917 -6.713 0.173 1.00 0.00 H new ATOM 0 HG SER A 77 -0.465 -7.686 0.332 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.011 -4.210 -0.943 1.00 0.00 N ATOM 1321 CA VAL A 78 -4.982 -3.197 -0.610 1.00 0.00 C ATOM 1322 C VAL A 78 -6.219 -3.968 -0.210 1.00 0.00 C ATOM 1323 O VAL A 78 -6.380 -5.102 -0.647 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.347 -2.299 -1.859 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -6.303 -1.183 -1.487 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -4.120 -1.715 -2.533 1.00 0.00 C ATOM 0 H VAL A 78 -4.415 -5.017 -1.418 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.596 -2.536 0.166 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.839 -2.964 -2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.530 -0.588 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.224 -1.610 -1.091 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.843 -0.547 -0.730 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.427 -1.107 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.575 -1.094 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.475 -2.523 -2.878 1.00 0.00 H new ATOM 1336 N GLY A 79 -7.016 -3.443 0.658 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.257 -4.078 0.930 1.00 0.00 C ATOM 1338 C GLY A 79 -8.398 -4.451 2.354 1.00 0.00 C ATOM 1339 O GLY A 79 -7.855 -3.784 3.229 1.00 0.00 O ATOM 0 H GLY A 79 -6.833 -2.588 1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.073 -3.412 0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.348 -4.971 0.312 1.00 0.00 H new ATOM 1343 N LYS A 80 -9.073 -5.524 2.604 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.364 -5.908 3.951 1.00 0.00 C ATOM 1345 C LYS A 80 -8.590 -7.114 4.403 1.00 0.00 C ATOM 1346 O LYS A 80 -8.911 -8.247 4.057 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.872 -6.087 4.173 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.637 -4.767 4.174 1.00 0.00 C ATOM 1349 CD LYS A 80 -13.141 -4.947 4.365 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.782 -5.682 3.198 1.00 0.00 C ATOM 1351 NZ LYS A 80 -15.247 -5.786 3.342 1.00 0.00 N ATOM 0 H LYS A 80 -9.437 -6.156 1.890 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.029 -5.083 4.580 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.274 -6.733 3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.036 -6.596 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.249 -4.130 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.456 -4.248 3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -13.325 -5.500 5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.611 -3.970 4.480 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.546 -5.162 2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.354 -6.682 3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -15.641 -6.294 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -15.474 -6.305 4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.660 -4.833 3.389 1.00 0.00 H new ATOM 1715 N GLU B 54 -2.982 -8.697 13.154 1.00 0.00 N ATOM 1716 CA GLU B 54 -3.223 -8.322 11.756 1.00 0.00 C ATOM 1717 C GLU B 54 -1.923 -8.352 10.939 1.00 0.00 C ATOM 1718 O GLU B 54 -1.900 -8.769 9.775 1.00 0.00 O ATOM 1719 CB GLU B 54 -3.822 -6.916 11.695 1.00 0.00 C ATOM 1720 CG GLU B 54 -3.045 -5.875 12.504 1.00 0.00 C ATOM 1721 CD GLU B 54 -3.568 -4.496 12.302 1.00 0.00 C ATOM 1722 OE1 GLU B 54 -4.681 -4.209 12.755 1.00 0.00 O ATOM 1723 OE2 GLU B 54 -2.904 -3.679 11.622 1.00 0.00 O ATOM 0 HA GLU B 54 -3.918 -9.045 11.329 1.00 0.00 H new ATOM 0 HB2 GLU B 54 -3.865 -6.595 10.654 1.00 0.00 H new ATOM 0 HB3 GLU B 54 -4.849 -6.953 12.060 1.00 0.00 H new ATOM 0 HG2 GLU B 54 -3.096 -6.129 13.563 1.00 0.00 H new ATOM 0 HG3 GLU B 54 -1.993 -5.908 12.219 1.00 0.00 H new ATOM 1730 N ASP B 55 -0.837 -7.946 11.574 1.00 0.00 N ATOM 1731 CA ASP B 55 0.458 -7.859 10.930 1.00 0.00 C ATOM 1732 C ASP B 55 1.013 -9.222 10.692 1.00 0.00 C ATOM 1733 O ASP B 55 1.804 -9.416 9.790 1.00 0.00 O ATOM 1734 CB ASP B 55 1.439 -7.028 11.748 1.00 0.00 C ATOM 1735 CG ASP B 55 0.972 -5.616 11.938 1.00 0.00 C ATOM 1736 OD1 ASP B 55 0.148 -5.382 12.834 1.00 0.00 O ATOM 1737 OD2 ASP B 55 1.398 -4.720 11.190 1.00 0.00 O ATOM 0 H ASP B 55 -0.831 -7.667 12.555 1.00 0.00 H new ATOM 0 HA ASP B 55 0.315 -7.359 9.972 1.00 0.00 H new ATOM 0 HB2 ASP B 55 1.582 -7.495 12.723 1.00 0.00 H new ATOM 0 HB3 ASP B 55 2.409 -7.023 11.251 1.00 0.00 H new ATOM 1742 N ALA B 56 0.564 -10.181 11.479 1.00 0.00 N ATOM 1743 CA ALA B 56 0.986 -11.558 11.311 1.00 0.00 C ATOM 1744 C ALA B 56 0.447 -12.106 9.991 1.00 0.00 C ATOM 1745 O ALA B 56 1.035 -13.017 9.396 1.00 0.00 O ATOM 1746 CB ALA B 56 0.537 -12.419 12.484 1.00 0.00 C ATOM 0 H ALA B 56 -0.095 -10.031 12.243 1.00 0.00 H new ATOM 0 HA ALA B 56 2.075 -11.588 11.285 1.00 0.00 H new ATOM 0 HB1 ALA B 56 0.868 -13.446 12.329 1.00 0.00 H new ATOM 0 HB2 ALA B 56 0.971 -12.033 13.406 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -0.550 -12.396 12.557 1.00 0.00 H new ATOM 1752 N GLU B 57 -0.664 -11.549 9.529 1.00 0.00 N ATOM 1753 CA GLU B 57 -1.207 -11.923 8.251 1.00 0.00 C ATOM 1754 C GLU B 57 -0.604 -11.059 7.148 1.00 0.00 C ATOM 1755 O GLU B 57 -0.281 -11.545 6.067 1.00 0.00 O ATOM 1756 CB GLU B 57 -2.741 -11.872 8.223 1.00 0.00 C ATOM 1757 CG GLU B 57 -3.306 -12.228 6.852 1.00 0.00 C ATOM 1758 CD GLU B 57 -4.774 -12.545 6.838 1.00 0.00 C ATOM 1759 OE1 GLU B 57 -5.609 -11.627 6.693 1.00 0.00 O ATOM 1760 OE2 GLU B 57 -5.106 -13.760 6.905 1.00 0.00 O ATOM 0 H GLU B 57 -1.199 -10.838 10.027 1.00 0.00 H new ATOM 0 HA GLU B 57 -0.933 -12.963 8.073 1.00 0.00 H new ATOM 0 HB2 GLU B 57 -3.139 -12.561 8.968 1.00 0.00 H new ATOM 0 HB3 GLU B 57 -3.074 -10.873 8.503 1.00 0.00 H new ATOM 0 HG2 GLU B 57 -3.122 -11.396 6.172 1.00 0.00 H new ATOM 0 HG3 GLU B 57 -2.760 -13.086 6.461 1.00 0.00 H new ATOM 1767 N LEU B 58 -0.415 -9.790 7.425 1.00 0.00 N ATOM 1768 CA LEU B 58 0.159 -8.900 6.432 1.00 0.00 C ATOM 1769 C LEU B 58 1.556 -9.305 5.998 1.00 0.00 C ATOM 1770 O LEU B 58 1.879 -9.193 4.829 1.00 0.00 O ATOM 1771 CB LEU B 58 0.102 -7.440 6.850 1.00 0.00 C ATOM 1772 CG LEU B 58 -1.274 -6.791 6.789 1.00 0.00 C ATOM 1773 CD1 LEU B 58 -1.227 -5.350 7.234 1.00 0.00 C ATOM 1774 CD2 LEU B 58 -1.871 -6.938 5.395 1.00 0.00 C ATOM 0 H LEU B 58 -0.645 -9.351 8.316 1.00 0.00 H new ATOM 0 HA LEU B 58 -0.477 -9.006 5.553 1.00 0.00 H new ATOM 0 HB2 LEU B 58 0.478 -7.358 7.870 1.00 0.00 H new ATOM 0 HB3 LEU B 58 0.780 -6.872 6.214 1.00 0.00 H new ATOM 0 HG LEU B 58 -1.928 -7.312 7.488 1.00 0.00 H new ATOM 0 HD11 LEU B 58 -2.227 -4.919 7.177 1.00 0.00 H new ATOM 0 HD12 LEU B 58 -0.867 -5.298 8.262 1.00 0.00 H new ATOM 0 HD13 LEU B 58 -0.553 -4.791 6.585 1.00 0.00 H new ATOM 0 HD21 LEU B 58 -2.854 -6.469 5.369 1.00 0.00 H new ATOM 0 HD22 LEU B 58 -1.219 -6.455 4.667 1.00 0.00 H new ATOM 0 HD23 LEU B 58 -1.967 -7.996 5.150 1.00 0.00 H new ATOM 1786 N VAL B 59 2.356 -9.826 6.915 1.00 0.00 N ATOM 1787 CA VAL B 59 3.710 -10.236 6.574 1.00 0.00 C ATOM 1788 C VAL B 59 3.714 -11.475 5.653 1.00 0.00 C ATOM 1789 O VAL B 59 4.608 -11.623 4.827 1.00 0.00 O ATOM 1790 CB VAL B 59 4.625 -10.462 7.818 1.00 0.00 C ATOM 1791 CG1 VAL B 59 4.693 -9.216 8.681 1.00 0.00 C ATOM 1792 CG2 VAL B 59 4.204 -11.678 8.627 1.00 0.00 C ATOM 0 H VAL B 59 2.096 -9.974 7.890 1.00 0.00 H new ATOM 0 HA VAL B 59 4.140 -9.398 6.026 1.00 0.00 H new ATOM 0 HB VAL B 59 5.629 -10.666 7.445 1.00 0.00 H new ATOM 0 HG11 VAL B 59 5.337 -9.403 9.540 1.00 0.00 H new ATOM 0 HG12 VAL B 59 5.098 -8.390 8.096 1.00 0.00 H new ATOM 0 HG13 VAL B 59 3.692 -8.958 9.027 1.00 0.00 H new ATOM 0 HG21 VAL B 59 4.870 -11.794 9.482 1.00 0.00 H new ATOM 0 HG22 VAL B 59 3.181 -11.544 8.979 1.00 0.00 H new ATOM 0 HG23 VAL B 59 4.259 -12.568 8.001 1.00 0.00 H new ATOM 1802 N GLU B 60 2.693 -12.332 5.762 1.00 0.00 N ATOM 1803 CA GLU B 60 2.622 -13.504 4.906 1.00 0.00 C ATOM 1804 C GLU B 60 2.046 -13.142 3.530 1.00 0.00 C ATOM 1805 O GLU B 60 2.469 -13.684 2.517 1.00 0.00 O ATOM 1806 CB GLU B 60 1.855 -14.699 5.550 1.00 0.00 C ATOM 1807 CG GLU B 60 0.419 -14.406 5.952 1.00 0.00 C ATOM 1808 CD GLU B 60 -0.376 -15.632 6.336 1.00 0.00 C ATOM 1809 OE1 GLU B 60 -0.284 -16.094 7.491 1.00 0.00 O ATOM 1810 OE2 GLU B 60 -1.117 -16.157 5.472 1.00 0.00 O ATOM 0 H GLU B 60 1.922 -12.234 6.423 1.00 0.00 H new ATOM 0 HA GLU B 60 3.647 -13.850 4.774 1.00 0.00 H new ATOM 0 HB2 GLU B 60 1.856 -15.532 4.846 1.00 0.00 H new ATOM 0 HB3 GLU B 60 2.403 -15.028 6.433 1.00 0.00 H new ATOM 0 HG2 GLU B 60 0.423 -13.711 6.791 1.00 0.00 H new ATOM 0 HG3 GLU B 60 -0.084 -13.905 5.125 1.00 0.00 H new ATOM 1817 N ILE B 61 1.101 -12.203 3.497 1.00 0.00 N ATOM 1818 CA ILE B 61 0.499 -11.777 2.231 1.00 0.00 C ATOM 1819 C ILE B 61 1.515 -11.008 1.375 1.00 0.00 C ATOM 1820 O ILE B 61 1.624 -11.240 0.160 1.00 0.00 O ATOM 1821 CB ILE B 61 -0.783 -10.911 2.440 1.00 0.00 C ATOM 1822 CG1 ILE B 61 -1.851 -11.703 3.212 1.00 0.00 C ATOM 1823 CG2 ILE B 61 -1.346 -10.445 1.093 1.00 0.00 C ATOM 1824 CD1 ILE B 61 -3.125 -10.922 3.483 1.00 0.00 C ATOM 0 H ILE B 61 0.738 -11.726 4.322 1.00 0.00 H new ATOM 0 HA ILE B 61 0.200 -12.685 1.708 1.00 0.00 H new ATOM 0 HB ILE B 61 -0.507 -10.034 3.025 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -2.101 -12.601 2.647 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -1.429 -12.031 4.162 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -2.239 -9.843 1.261 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -0.598 -9.847 0.573 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -1.602 -11.313 0.486 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -3.827 -11.550 4.031 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -2.891 -10.038 4.075 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -3.573 -10.617 2.537 1.00 0.00 H new ATOM 1836 N VAL B 62 2.283 -10.125 2.018 1.00 0.00 N ATOM 1837 CA VAL B 62 3.273 -9.332 1.306 1.00 0.00 C ATOM 1838 C VAL B 62 4.326 -10.222 0.649 1.00 0.00 C ATOM 1839 O VAL B 62 4.592 -10.092 -0.542 1.00 0.00 O ATOM 1840 CB VAL B 62 3.941 -8.199 2.188 1.00 0.00 C ATOM 1841 CG1 VAL B 62 4.621 -8.751 3.416 1.00 0.00 C ATOM 1842 CG2 VAL B 62 4.939 -7.384 1.383 1.00 0.00 C ATOM 0 H VAL B 62 2.235 -9.946 3.021 1.00 0.00 H new ATOM 0 HA VAL B 62 2.726 -8.808 0.523 1.00 0.00 H new ATOM 0 HB VAL B 62 3.126 -7.552 2.512 1.00 0.00 H new ATOM 0 HG11 VAL B 62 5.063 -7.933 3.986 1.00 0.00 H new ATOM 0 HG12 VAL B 62 3.889 -9.271 4.035 1.00 0.00 H new ATOM 0 HG13 VAL B 62 5.403 -9.448 3.116 1.00 0.00 H new ATOM 0 HG21 VAL B 62 5.378 -6.616 2.019 1.00 0.00 H new ATOM 0 HG22 VAL B 62 5.726 -8.039 1.009 1.00 0.00 H new ATOM 0 HG23 VAL B 62 4.430 -6.912 0.543 1.00 0.00 H new ATOM 1852 N LYS B 63 4.841 -11.190 1.402 1.00 0.00 N ATOM 1853 CA LYS B 63 5.889 -12.062 0.904 1.00 0.00 C ATOM 1854 C LYS B 63 5.345 -12.999 -0.177 1.00 0.00 C ATOM 1855 O LYS B 63 6.071 -13.393 -1.093 1.00 0.00 O ATOM 1856 CB LYS B 63 6.554 -12.820 2.064 1.00 0.00 C ATOM 1857 CG LYS B 63 5.690 -13.873 2.742 1.00 0.00 C ATOM 1858 CD LYS B 63 6.331 -14.372 4.035 1.00 0.00 C ATOM 1859 CE LYS B 63 7.752 -14.855 3.811 1.00 0.00 C ATOM 1860 NZ LYS B 63 8.349 -15.407 5.040 1.00 0.00 N ATOM 0 H LYS B 63 4.547 -11.387 2.359 1.00 0.00 H new ATOM 0 HA LYS B 63 6.663 -11.456 0.434 1.00 0.00 H new ATOM 0 HB2 LYS B 63 7.456 -13.303 1.689 1.00 0.00 H new ATOM 0 HB3 LYS B 63 6.869 -12.095 2.815 1.00 0.00 H new ATOM 0 HG2 LYS B 63 4.707 -13.455 2.959 1.00 0.00 H new ATOM 0 HG3 LYS B 63 5.536 -14.712 2.063 1.00 0.00 H new ATOM 0 HD2 LYS B 63 6.332 -13.570 4.773 1.00 0.00 H new ATOM 0 HD3 LYS B 63 5.732 -15.184 4.448 1.00 0.00 H new ATOM 0 HE2 LYS B 63 7.757 -15.617 3.032 1.00 0.00 H new ATOM 0 HE3 LYS B 63 8.363 -14.027 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 9.319 -15.725 4.842 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 8.369 -14.673 5.776 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 7.781 -16.213 5.370 1.00 0.00 H new ATOM 1874 N GLU B 64 4.052 -13.291 -0.091 1.00 0.00 N ATOM 1875 CA GLU B 64 3.359 -14.097 -1.081 1.00 0.00 C ATOM 1876 C GLU B 64 3.356 -13.407 -2.430 1.00 0.00 C ATOM 1877 O GLU B 64 3.766 -13.972 -3.439 1.00 0.00 O ATOM 1878 CB GLU B 64 1.915 -14.398 -0.632 1.00 0.00 C ATOM 1879 CG GLU B 64 1.018 -14.919 -1.748 1.00 0.00 C ATOM 1880 CD GLU B 64 -0.375 -15.265 -1.299 1.00 0.00 C ATOM 1881 OE1 GLU B 64 -0.599 -16.412 -0.877 1.00 0.00 O ATOM 1882 OE2 GLU B 64 -1.286 -14.410 -1.404 1.00 0.00 O ATOM 0 H GLU B 64 3.455 -12.972 0.672 1.00 0.00 H new ATOM 0 HA GLU B 64 3.894 -15.042 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU B 64 1.941 -15.132 0.173 1.00 0.00 H new ATOM 0 HB3 GLU B 64 1.476 -13.489 -0.220 1.00 0.00 H new ATOM 0 HG2 GLU B 64 0.959 -14.167 -2.535 1.00 0.00 H new ATOM 0 HG3 GLU B 64 1.478 -15.804 -2.187 1.00 0.00 H new ATOM 1889 N ARG B 65 2.918 -12.188 -2.437 1.00 0.00 N ATOM 1890 CA ARG B 65 2.823 -11.448 -3.659 1.00 0.00 C ATOM 1891 C ARG B 65 4.179 -10.943 -4.095 1.00 0.00 C ATOM 1892 O ARG B 65 4.400 -10.708 -5.262 1.00 0.00 O ATOM 1893 CB ARG B 65 1.845 -10.303 -3.512 1.00 0.00 C ATOM 1894 CG ARG B 65 0.420 -10.732 -3.249 1.00 0.00 C ATOM 1895 CD ARG B 65 -0.498 -9.535 -3.170 1.00 0.00 C ATOM 1896 NE ARG B 65 -1.866 -9.916 -2.818 1.00 0.00 N ATOM 1897 CZ ARG B 65 -2.949 -9.151 -2.980 1.00 0.00 C ATOM 1898 NH1 ARG B 65 -2.851 -7.975 -3.609 1.00 0.00 N ATOM 1899 NH2 ARG B 65 -4.135 -9.595 -2.548 1.00 0.00 N ATOM 0 H ARG B 65 2.618 -11.680 -1.605 1.00 0.00 H new ATOM 0 HA ARG B 65 2.452 -12.119 -4.433 1.00 0.00 H new ATOM 0 HB2 ARG B 65 2.175 -9.661 -2.695 1.00 0.00 H new ATOM 0 HB3 ARG B 65 1.869 -9.701 -4.420 1.00 0.00 H new ATOM 0 HG2 ARG B 65 0.085 -11.400 -4.042 1.00 0.00 H new ATOM 0 HG3 ARG B 65 0.372 -11.294 -2.317 1.00 0.00 H new ATOM 0 HD2 ARG B 65 -0.115 -8.833 -2.429 1.00 0.00 H new ATOM 0 HD3 ARG B 65 -0.501 -9.017 -4.129 1.00 0.00 H new ATOM 0 HE ARG B 65 -2.004 -10.843 -2.415 1.00 0.00 H new ATOM 0 HH11 ARG B 65 -1.948 -7.661 -3.966 1.00 0.00 H new ATOM 0 HH12 ARG B 65 -3.679 -7.392 -3.732 1.00 0.00 H new ATOM 0 HH21 ARG B 65 -4.205 -10.509 -2.100 1.00 0.00 H new ATOM 0 HH22 ARG B 65 -4.969 -9.020 -2.666 1.00 0.00 H new ATOM 1913 N LEU B 66 5.098 -10.833 -3.160 1.00 0.00 N ATOM 1914 CA LEU B 66 6.411 -10.307 -3.446 1.00 0.00 C ATOM 1915 C LEU B 66 7.278 -11.312 -4.198 1.00 0.00 C ATOM 1916 O LEU B 66 8.180 -10.926 -4.940 1.00 0.00 O ATOM 1917 CB LEU B 66 7.094 -9.906 -2.156 1.00 0.00 C ATOM 1918 CG LEU B 66 8.314 -8.999 -2.284 1.00 0.00 C ATOM 1919 CD1 LEU B 66 7.951 -7.728 -3.044 1.00 0.00 C ATOM 1920 CD2 LEU B 66 8.837 -8.656 -0.911 1.00 0.00 C ATOM 0 H LEU B 66 4.956 -11.104 -2.187 1.00 0.00 H new ATOM 0 HA LEU B 66 6.285 -9.435 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU B 66 6.361 -9.405 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU B 66 7.397 -10.814 -1.634 1.00 0.00 H new ATOM 0 HG LEU B 66 9.091 -9.523 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU B 66 8.831 -7.090 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU B 66 7.596 -7.989 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU B 66 7.166 -7.195 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU B 66 9.708 -8.008 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU B 66 8.061 -8.141 -0.344 1.00 0.00 H new ATOM 0 HD23 LEU B 66 9.120 -9.571 -0.390 1.00 0.00 H new ATOM 1932 N ARG B 67 7.004 -12.596 -4.024 1.00 0.00 N ATOM 1933 CA ARG B 67 7.808 -13.624 -4.681 1.00 0.00 C ATOM 1934 C ARG B 67 7.523 -13.700 -6.181 1.00 0.00 C ATOM 1935 O ARG B 67 8.289 -14.298 -6.939 1.00 0.00 O ATOM 1936 CB ARG B 67 7.680 -14.997 -3.988 1.00 0.00 C ATOM 1937 CG ARG B 67 6.287 -15.580 -3.957 1.00 0.00 C ATOM 1938 CD ARG B 67 6.237 -16.829 -3.093 1.00 0.00 C ATOM 1939 NE ARG B 67 4.873 -17.360 -2.964 1.00 0.00 N ATOM 1940 CZ ARG B 67 4.266 -17.653 -1.798 1.00 0.00 C ATOM 1941 NH1 ARG B 67 4.875 -17.389 -0.638 1.00 0.00 N ATOM 1942 NH2 ARG B 67 3.041 -18.185 -1.790 1.00 0.00 N ATOM 0 H ARG B 67 6.244 -12.951 -3.444 1.00 0.00 H new ATOM 0 HA ARG B 67 8.851 -13.324 -4.576 1.00 0.00 H new ATOM 0 HB2 ARG B 67 8.340 -15.703 -4.493 1.00 0.00 H new ATOM 0 HB3 ARG B 67 8.039 -14.903 -2.963 1.00 0.00 H new ATOM 0 HG2 ARG B 67 5.587 -14.839 -3.571 1.00 0.00 H new ATOM 0 HG3 ARG B 67 5.968 -15.822 -4.971 1.00 0.00 H new ATOM 0 HD2 ARG B 67 6.883 -17.593 -3.524 1.00 0.00 H new ATOM 0 HD3 ARG B 67 6.631 -16.600 -2.103 1.00 0.00 H new ATOM 0 HE ARG B 67 4.346 -17.519 -3.823 1.00 0.00 H new ATOM 0 HH11 ARG B 67 5.802 -16.964 -0.634 1.00 0.00 H new ATOM 0 HH12 ARG B 67 4.412 -17.612 0.243 1.00 0.00 H new ATOM 0 HH21 ARG B 67 2.560 -18.371 -2.670 1.00 0.00 H new ATOM 0 HH22 ARG B 67 2.586 -18.405 -0.904 1.00 0.00 H new ATOM 1956 N ASN B 68 6.427 -13.095 -6.602 1.00 0.00 N ATOM 1957 CA ASN B 68 6.061 -12.981 -7.998 1.00 0.00 C ATOM 1958 C ASN B 68 4.950 -11.943 -8.100 1.00 0.00 C ATOM 1959 O ASN B 68 3.771 -12.278 -7.994 1.00 0.00 O ATOM 1960 CB ASN B 68 5.569 -14.307 -8.524 1.00 0.00 C ATOM 1961 CG ASN B 68 5.248 -14.286 -9.969 1.00 0.00 C ATOM 1962 OD1 ASN B 68 5.863 -13.574 -10.754 1.00 0.00 O ATOM 1963 ND2 ASN B 68 4.265 -15.043 -10.332 1.00 0.00 N ATOM 0 H ASN B 68 5.755 -12.661 -5.969 1.00 0.00 H new ATOM 0 HA ASN B 68 6.926 -12.683 -8.590 1.00 0.00 H new ATOM 0 HB2 ASN B 68 6.329 -15.067 -8.340 1.00 0.00 H new ATOM 0 HB3 ASN B 68 4.680 -14.603 -7.967 1.00 0.00 H new ATOM 0 HD21 ASN B 68 3.972 -15.065 -11.309 1.00 0.00 H new ATOM 0 HD22 ASN B 68 3.783 -15.619 -9.642 1.00 0.00 H new ATOM 1970 N PRO B 69 5.310 -10.661 -8.185 1.00 0.00 N ATOM 1971 CA PRO B 69 4.344 -9.571 -8.162 1.00 0.00 C ATOM 1972 C PRO B 69 3.755 -9.159 -9.522 1.00 0.00 C ATOM 1973 O PRO B 69 2.541 -9.228 -9.720 1.00 0.00 O ATOM 1974 CB PRO B 69 5.145 -8.399 -7.566 1.00 0.00 C ATOM 1975 CG PRO B 69 6.576 -8.862 -7.460 1.00 0.00 C ATOM 1976 CD PRO B 69 6.682 -10.152 -8.224 1.00 0.00 C ATOM 0 HA PRO B 69 3.464 -9.880 -7.598 1.00 0.00 H new ATOM 0 HB2 PRO B 69 5.070 -7.516 -8.201 1.00 0.00 H new ATOM 0 HB3 PRO B 69 4.754 -8.122 -6.587 1.00 0.00 H new ATOM 0 HG2 PRO B 69 7.254 -8.114 -7.871 1.00 0.00 H new ATOM 0 HG3 PRO B 69 6.857 -9.008 -6.417 1.00 0.00 H new ATOM 0 HD2 PRO B 69 7.025 -9.991 -9.246 1.00 0.00 H new ATOM 0 HD3 PRO B 69 7.384 -10.843 -7.757 1.00 0.00 H new ATOM 1984 N LYS B 70 4.628 -8.789 -10.453 1.00 0.00 N ATOM 1985 CA LYS B 70 4.248 -8.106 -11.698 1.00 0.00 C ATOM 1986 C LYS B 70 3.687 -6.718 -11.382 1.00 0.00 C ATOM 1987 O LYS B 70 2.472 -6.539 -11.237 1.00 0.00 O ATOM 1988 CB LYS B 70 3.284 -8.880 -12.640 1.00 0.00 C ATOM 1989 CG LYS B 70 3.895 -10.028 -13.440 1.00 0.00 C ATOM 1990 CD LYS B 70 4.069 -11.314 -12.653 1.00 0.00 C ATOM 1991 CE LYS B 70 4.659 -12.381 -13.560 1.00 0.00 C ATOM 1992 NZ LYS B 70 4.485 -13.735 -13.058 1.00 0.00 N ATOM 0 H LYS B 70 5.631 -8.954 -10.370 1.00 0.00 H new ATOM 0 HA LYS B 70 5.175 -8.035 -12.267 1.00 0.00 H new ATOM 0 HB2 LYS B 70 2.466 -9.279 -12.040 1.00 0.00 H new ATOM 0 HB3 LYS B 70 2.847 -8.169 -13.341 1.00 0.00 H new ATOM 0 HG2 LYS B 70 3.264 -10.228 -14.306 1.00 0.00 H new ATOM 0 HG3 LYS B 70 4.867 -9.714 -13.820 1.00 0.00 H new ATOM 0 HD2 LYS B 70 4.723 -11.145 -11.798 1.00 0.00 H new ATOM 0 HD3 LYS B 70 3.108 -11.646 -12.259 1.00 0.00 H new ATOM 0 HE2 LYS B 70 4.197 -12.305 -14.544 1.00 0.00 H new ATOM 0 HE3 LYS B 70 5.723 -12.186 -13.692 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 4.556 -14.409 -13.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 5.224 -13.943 -12.357 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 3.550 -13.822 -12.612 1.00 0.00 H new ATOM 2006 N PRO B 71 4.580 -5.734 -11.189 1.00 0.00 N ATOM 2007 CA PRO B 71 4.185 -4.383 -10.865 1.00 0.00 C ATOM 2008 C PRO B 71 3.865 -3.553 -12.101 1.00 0.00 C ATOM 2009 O PRO B 71 4.574 -3.604 -13.130 1.00 0.00 O ATOM 2010 CB PRO B 71 5.397 -3.822 -10.130 1.00 0.00 C ATOM 2011 CG PRO B 71 6.574 -4.613 -10.617 1.00 0.00 C ATOM 2012 CD PRO B 71 6.046 -5.867 -11.273 1.00 0.00 C ATOM 0 HA PRO B 71 3.269 -4.359 -10.274 1.00 0.00 H new ATOM 0 HB2 PRO B 71 5.525 -2.760 -10.341 1.00 0.00 H new ATOM 0 HB3 PRO B 71 5.280 -3.920 -9.051 1.00 0.00 H new ATOM 0 HG2 PRO B 71 7.160 -4.029 -11.326 1.00 0.00 H new ATOM 0 HG3 PRO B 71 7.235 -4.865 -9.788 1.00 0.00 H new ATOM 0 HD2 PRO B 71 6.379 -5.945 -12.308 1.00 0.00 H new ATOM 0 HD3 PRO B 71 6.394 -6.762 -10.758 1.00 0.00 H new ATOM 2020 N VAL B 72 2.790 -2.839 -12.020 1.00 0.00 N ATOM 2021 CA VAL B 72 2.352 -1.980 -13.074 1.00 0.00 C ATOM 2022 C VAL B 72 2.618 -0.541 -12.662 1.00 0.00 C ATOM 2023 O VAL B 72 2.110 -0.086 -11.621 1.00 0.00 O ATOM 2024 CB VAL B 72 0.834 -2.180 -13.363 1.00 0.00 C ATOM 2025 CG1 VAL B 72 0.360 -1.288 -14.500 1.00 0.00 C ATOM 2026 CG2 VAL B 72 0.541 -3.641 -13.679 1.00 0.00 C ATOM 0 H VAL B 72 2.179 -2.836 -11.203 1.00 0.00 H new ATOM 0 HA VAL B 72 2.898 -2.220 -13.986 1.00 0.00 H new ATOM 0 HB VAL B 72 0.285 -1.895 -12.465 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -0.703 -1.454 -14.674 1.00 0.00 H new ATOM 0 HG12 VAL B 72 0.526 -0.243 -14.236 1.00 0.00 H new ATOM 0 HG13 VAL B 72 0.917 -1.526 -15.406 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -0.524 -3.764 -13.878 1.00 0.00 H new ATOM 0 HG22 VAL B 72 1.112 -3.945 -14.556 1.00 0.00 H new ATOM 0 HG23 VAL B 72 0.825 -4.261 -12.829 1.00 0.00 H new ATOM 2036 N ARG B 73 3.441 0.141 -13.442 1.00 0.00 N ATOM 2037 CA ARG B 73 3.791 1.528 -13.190 1.00 0.00 C ATOM 2038 C ARG B 73 2.556 2.397 -13.313 1.00 0.00 C ATOM 2039 O ARG B 73 1.956 2.482 -14.394 1.00 0.00 O ATOM 2040 CB ARG B 73 4.801 2.021 -14.219 1.00 0.00 C ATOM 2041 CG ARG B 73 5.247 3.450 -13.969 1.00 0.00 C ATOM 2042 CD ARG B 73 6.298 3.509 -12.892 1.00 0.00 C ATOM 2043 NE ARG B 73 7.582 3.062 -13.427 1.00 0.00 N ATOM 2044 CZ ARG B 73 8.605 2.627 -12.719 1.00 0.00 C ATOM 2045 NH1 ARG B 73 8.433 2.192 -11.468 1.00 0.00 N ATOM 2046 NH2 ARG B 73 9.787 2.503 -13.306 1.00 0.00 N ATOM 0 H ARG B 73 3.886 -0.254 -14.270 1.00 0.00 H new ATOM 0 HA ARG B 73 4.215 1.590 -12.188 1.00 0.00 H new ATOM 0 HB2 ARG B 73 5.672 1.366 -14.208 1.00 0.00 H new ATOM 0 HB3 ARG B 73 4.362 1.951 -15.214 1.00 0.00 H new ATOM 0 HG2 ARG B 73 5.642 3.878 -14.891 1.00 0.00 H new ATOM 0 HG3 ARG B 73 4.389 4.056 -13.678 1.00 0.00 H new ATOM 0 HD2 ARG B 73 6.386 4.527 -12.513 1.00 0.00 H new ATOM 0 HD3 ARG B 73 6.005 2.880 -12.051 1.00 0.00 H new ATOM 0 HE ARG B 73 7.697 3.089 -14.440 1.00 0.00 H new ATOM 0 HH11 ARG B 73 7.502 2.194 -11.051 1.00 0.00 H new ATOM 0 HH12 ARG B 73 9.232 1.858 -10.930 1.00 0.00 H new ATOM 0 HH21 ARG B 73 9.895 2.743 -14.292 1.00 0.00 H new ATOM 0 HH22 ARG B 73 10.589 2.168 -12.772 1.00 0.00 H new ATOM 2060 N VAL B 74 2.186 3.051 -12.265 1.00 0.00 N ATOM 2061 CA VAL B 74 1.029 3.887 -12.303 1.00 0.00 C ATOM 2062 C VAL B 74 1.287 5.236 -11.655 1.00 0.00 C ATOM 2063 O VAL B 74 2.381 5.524 -11.131 1.00 0.00 O ATOM 2064 CB VAL B 74 -0.243 3.223 -11.675 1.00 0.00 C ATOM 2065 CG1 VAL B 74 -0.733 2.037 -12.499 1.00 0.00 C ATOM 2066 CG2 VAL B 74 0.021 2.793 -10.255 1.00 0.00 C ATOM 0 H VAL B 74 2.668 3.024 -11.367 1.00 0.00 H new ATOM 0 HA VAL B 74 0.821 4.037 -13.362 1.00 0.00 H new ATOM 0 HB VAL B 74 -1.029 3.978 -11.676 1.00 0.00 H new ATOM 0 HG11 VAL B 74 -1.616 1.607 -12.028 1.00 0.00 H new ATOM 0 HG12 VAL B 74 -0.986 2.372 -13.505 1.00 0.00 H new ATOM 0 HG13 VAL B 74 0.052 1.283 -12.554 1.00 0.00 H new ATOM 0 HG21 VAL B 74 -0.877 2.335 -9.841 1.00 0.00 H new ATOM 0 HG22 VAL B 74 0.837 2.071 -10.239 1.00 0.00 H new ATOM 0 HG23 VAL B 74 0.294 3.662 -9.656 1.00 0.00 H new ATOM 2076 N THR B 75 0.313 6.061 -11.774 1.00 0.00 N ATOM 2077 CA THR B 75 0.268 7.355 -11.195 1.00 0.00 C ATOM 2078 C THR B 75 -1.102 7.492 -10.545 1.00 0.00 C ATOM 2079 O THR B 75 -2.019 6.740 -10.890 1.00 0.00 O ATOM 2080 CB THR B 75 0.472 8.455 -12.276 1.00 0.00 C ATOM 2081 OG1 THR B 75 -0.403 8.214 -13.393 1.00 0.00 O ATOM 2082 CG2 THR B 75 1.917 8.501 -12.762 1.00 0.00 C ATOM 0 H THR B 75 -0.525 5.839 -12.311 1.00 0.00 H new ATOM 0 HA THR B 75 1.066 7.480 -10.463 1.00 0.00 H new ATOM 0 HB THR B 75 0.235 9.417 -11.821 1.00 0.00 H new ATOM 0 HG1 THR B 75 -0.154 7.372 -13.828 1.00 0.00 H new ATOM 0 HG21 THR B 75 2.023 9.281 -13.516 1.00 0.00 H new ATOM 0 HG22 THR B 75 2.577 8.717 -11.922 1.00 0.00 H new ATOM 0 HG23 THR B 75 2.186 7.538 -13.196 1.00 0.00 H new ATOM 2090 N LEU B 76 -1.262 8.416 -9.644 1.00 0.00 N ATOM 2091 CA LEU B 76 -2.544 8.619 -8.978 1.00 0.00 C ATOM 2092 C LEU B 76 -3.554 9.173 -9.945 1.00 0.00 C ATOM 2093 O LEU B 76 -4.754 8.941 -9.820 1.00 0.00 O ATOM 2094 CB LEU B 76 -2.372 9.557 -7.812 1.00 0.00 C ATOM 2095 CG LEU B 76 -1.493 9.039 -6.707 1.00 0.00 C ATOM 2096 CD1 LEU B 76 -1.242 10.117 -5.703 1.00 0.00 C ATOM 2097 CD2 LEU B 76 -2.130 7.846 -6.032 1.00 0.00 C ATOM 0 H LEU B 76 -0.524 9.052 -9.342 1.00 0.00 H new ATOM 0 HA LEU B 76 -2.906 7.659 -8.611 1.00 0.00 H new ATOM 0 HB2 LEU B 76 -1.956 10.496 -8.178 1.00 0.00 H new ATOM 0 HB3 LEU B 76 -3.355 9.784 -7.399 1.00 0.00 H new ATOM 0 HG LEU B 76 -0.544 8.726 -7.142 1.00 0.00 H new ATOM 0 HD11 LEU B 76 -0.605 9.732 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU B 76 -0.748 10.958 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU B 76 -2.190 10.448 -5.280 1.00 0.00 H new ATOM 0 HD21 LEU B 76 -1.478 7.487 -5.236 1.00 0.00 H new ATOM 0 HD22 LEU B 76 -3.092 8.138 -5.609 1.00 0.00 H new ATOM 0 HD23 LEU B 76 -2.281 7.052 -6.763 1.00 0.00 H new ATOM 2109 N ASP B 77 -3.049 9.865 -10.928 1.00 0.00 N ATOM 2110 CA ASP B 77 -3.854 10.470 -11.962 1.00 0.00 C ATOM 2111 C ASP B 77 -4.622 9.409 -12.754 1.00 0.00 C ATOM 2112 O ASP B 77 -5.806 9.583 -13.065 1.00 0.00 O ATOM 2113 CB ASP B 77 -2.961 11.287 -12.887 1.00 0.00 C ATOM 2114 CG ASP B 77 -3.720 11.956 -13.995 1.00 0.00 C ATOM 2115 OD1 ASP B 77 -4.467 12.923 -13.721 1.00 0.00 O ATOM 2116 OD2 ASP B 77 -3.580 11.549 -15.164 1.00 0.00 O ATOM 0 H ASP B 77 -2.048 10.030 -11.038 1.00 0.00 H new ATOM 0 HA ASP B 77 -4.587 11.128 -11.496 1.00 0.00 H new ATOM 0 HB2 ASP B 77 -2.439 12.045 -12.303 1.00 0.00 H new ATOM 0 HB3 ASP B 77 -2.200 10.636 -13.317 1.00 0.00 H new ATOM 2121 N GLU B 78 -3.977 8.281 -13.007 1.00 0.00 N ATOM 2122 CA GLU B 78 -4.593 7.221 -13.795 1.00 0.00 C ATOM 2123 C GLU B 78 -5.339 6.212 -12.911 1.00 0.00 C ATOM 2124 O GLU B 78 -5.914 5.236 -13.418 1.00 0.00 O ATOM 2125 CB GLU B 78 -3.550 6.512 -14.656 1.00 0.00 C ATOM 2126 CG GLU B 78 -2.471 5.806 -13.865 1.00 0.00 C ATOM 2127 CD GLU B 78 -1.399 5.242 -14.737 1.00 0.00 C ATOM 2128 OE1 GLU B 78 -1.633 4.222 -15.405 1.00 0.00 O ATOM 2129 OE2 GLU B 78 -0.287 5.828 -14.754 1.00 0.00 O ATOM 0 H GLU B 78 -3.033 8.075 -12.681 1.00 0.00 H new ATOM 0 HA GLU B 78 -5.328 7.689 -14.450 1.00 0.00 H new ATOM 0 HB2 GLU B 78 -4.054 5.784 -15.292 1.00 0.00 H new ATOM 0 HB3 GLU B 78 -3.082 7.243 -15.316 1.00 0.00 H new ATOM 0 HG2 GLU B 78 -2.028 6.506 -13.156 1.00 0.00 H new ATOM 0 HG3 GLU B 78 -2.920 5.003 -13.281 1.00 0.00 H new ATOM 2136 N LEU B 79 -5.303 6.408 -11.607 1.00 0.00 N ATOM 2137 CA LEU B 79 -6.049 5.539 -10.720 1.00 0.00 C ATOM 2138 C LEU B 79 -7.468 6.028 -10.665 1.00 0.00 C ATOM 2139 O LEU B 79 -8.346 5.416 -11.288 1.00 0.00 O ATOM 2140 CB LEU B 79 -5.470 5.496 -9.303 1.00 0.00 C ATOM 2141 CG LEU B 79 -4.021 5.051 -9.149 1.00 0.00 C ATOM 2142 CD1 LEU B 79 -3.685 4.900 -7.685 1.00 0.00 C ATOM 2143 CD2 LEU B 79 -3.750 3.759 -9.893 1.00 0.00 C ATOM 2144 OXT LEU B 79 -7.703 7.096 -10.054 1.00 0.00 O ATOM 0 H LEU B 79 -4.775 7.148 -11.145 1.00 0.00 H new ATOM 0 HA LEU B 79 -5.991 4.525 -11.115 1.00 0.00 H new ATOM 0 HB2 LEU B 79 -5.564 6.492 -8.871 1.00 0.00 H new ATOM 0 HB3 LEU B 79 -6.092 4.830 -8.705 1.00 0.00 H new ATOM 0 HG LEU B 79 -3.383 5.818 -9.588 1.00 0.00 H new ATOM 0 HD11 LEU B 79 -2.648 4.582 -7.581 1.00 0.00 H new ATOM 0 HD12 LEU B 79 -3.824 5.856 -7.179 1.00 0.00 H new ATOM 0 HD13 LEU B 79 -4.340 4.154 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU B 79 -2.706 3.474 -9.759 1.00 0.00 H new ATOM 0 HD22 LEU B 79 -4.394 2.972 -9.501 1.00 0.00 H new ATOM 0 HD23 LEU B 79 -3.954 3.901 -10.954 1.00 0.00 H new