USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 615 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 ASN : amide:sc= 0.811 K(o=0.77,f=-0.18) USER MOD Set 1.2: A 82 HIS : no HD1:sc= -0.0437 X(o=0.77,f=0.8) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 HIS : no HE2:sc= 0.873 K(o=0.87,f=-4.1!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 159:sc= 1.26 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.221 K(o=-0.22,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.28) USER MOD Single : A 41 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot -75:sc= -0.161 USER MOD Single : A 53 HIS : no HD1:sc=-0.000497 X(o=-0.0005,f=-0.17) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -151:sc= -1.1 (180deg=-3.87!) USER MOD Single : A 60 ASN : amide:sc= 0.541 K(o=0.54,f=-0.069) USER MOD Single : A 61 TYR OH : rot 120:sc=-0.00735 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.208 USER MOD Single : A 67 THR OG1 : rot -35:sc= 0.299 USER MOD Single : A 70 LYS NZ :NH3+ -164:sc= 1.27 (180deg=1.12) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N ILE A 5 -4.900 -13.612 -6.538 1.00 0.00 N ATOM 36 CA ILE A 5 -4.787 -12.439 -5.682 1.00 0.00 C ATOM 37 C ILE A 5 -6.104 -11.694 -5.476 1.00 0.00 C ATOM 38 O ILE A 5 -6.287 -11.047 -4.451 1.00 0.00 O ATOM 39 CB ILE A 5 -3.731 -11.486 -6.262 1.00 0.00 C ATOM 40 CG1 ILE A 5 -4.063 -10.875 -7.644 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.363 -12.184 -6.314 1.00 0.00 C ATOM 42 CD1 ILE A 5 -3.303 -9.560 -7.831 1.00 0.00 C ATOM 0 HA ILE A 5 -4.488 -12.798 -4.697 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.716 -10.638 -5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.794 -11.576 -8.435 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.136 -10.699 -7.725 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.621 -11.500 -6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.066 -12.477 -5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.430 -13.070 -6.945 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.543 -9.137 -8.807 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.593 -8.858 -7.050 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.231 -9.748 -7.770 1.00 0.00 H new ATOM 54 N ASP A 6 -7.020 -11.814 -6.431 1.00 0.00 N ATOM 55 CA ASP A 6 -8.357 -11.240 -6.443 1.00 0.00 C ATOM 56 C ASP A 6 -9.186 -11.671 -5.218 1.00 0.00 C ATOM 57 O ASP A 6 -10.133 -10.984 -4.840 1.00 0.00 O ATOM 58 CB ASP A 6 -8.966 -11.704 -7.770 1.00 0.00 C ATOM 59 CG ASP A 6 -10.279 -11.058 -8.208 1.00 0.00 C ATOM 60 OD1 ASP A 6 -10.657 -9.980 -7.704 1.00 0.00 O ATOM 61 OD2 ASP A 6 -10.874 -11.556 -9.197 1.00 0.00 O ATOM 0 H ASP A 6 -6.832 -12.354 -7.276 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.338 -10.152 -6.373 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.229 -11.535 -8.555 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.125 -12.781 -7.709 1.00 0.00 H new ATOM 66 N GLN A 7 -8.800 -12.763 -4.542 1.00 0.00 N ATOM 67 CA GLN A 7 -9.370 -13.176 -3.262 1.00 0.00 C ATOM 68 C GLN A 7 -9.065 -12.182 -2.133 1.00 0.00 C ATOM 69 O GLN A 7 -9.900 -12.019 -1.242 1.00 0.00 O ATOM 70 CB GLN A 7 -8.883 -14.593 -2.905 1.00 0.00 C ATOM 71 CG GLN A 7 -7.434 -14.693 -2.402 1.00 0.00 C ATOM 72 CD GLN A 7 -6.945 -16.139 -2.397 1.00 0.00 C ATOM 73 OE1 GLN A 7 -7.204 -16.915 -1.481 1.00 0.00 O ATOM 74 NE2 GLN A 7 -6.262 -16.535 -3.457 1.00 0.00 N ATOM 0 H GLN A 7 -8.070 -13.391 -4.879 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.454 -13.188 -3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.543 -15.002 -2.140 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.987 -15.226 -3.787 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.785 -14.090 -3.036 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.368 -14.281 -1.395 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.057 -15.875 -4.207 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.940 -17.500 -3.525 1.00 0.00 H new ATOM 83 N TYR A 8 -7.895 -11.536 -2.152 1.00 0.00 N ATOM 84 CA TYR A 8 -7.440 -10.594 -1.134 1.00 0.00 C ATOM 85 C TYR A 8 -7.755 -9.145 -1.518 1.00 0.00 C ATOM 86 O TYR A 8 -7.343 -8.240 -0.794 1.00 0.00 O ATOM 87 CB TYR A 8 -5.923 -10.750 -0.917 1.00 0.00 C ATOM 88 CG TYR A 8 -5.455 -12.153 -0.611 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.793 -12.742 0.617 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.688 -12.868 -1.552 1.00 0.00 C ATOM 91 CE1 TYR A 8 -5.385 -14.051 0.901 1.00 0.00 C ATOM 92 CE2 TYR A 8 -4.277 -14.184 -1.270 1.00 0.00 C ATOM 93 CZ TYR A 8 -4.628 -14.784 -0.037 1.00 0.00 C ATOM 94 OH TYR A 8 -4.261 -16.064 0.244 1.00 0.00 O ATOM 0 H TYR A 8 -7.218 -11.661 -2.904 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.974 -10.822 -0.212 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.407 -10.400 -1.811 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.621 -10.097 -0.098 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.368 -12.186 1.343 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.416 -12.406 -2.490 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.652 -14.503 1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.695 -14.735 -1.993 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.745 -16.428 -0.505 1.00 0.00 H new ATOM 104 N ALA A 9 -8.390 -8.908 -2.674 1.00 0.00 N ATOM 105 CA ALA A 9 -8.718 -7.578 -3.162 1.00 0.00 C ATOM 106 C ALA A 9 -9.869 -7.006 -2.339 1.00 0.00 C ATOM 107 O ALA A 9 -11.039 -7.118 -2.721 1.00 0.00 O ATOM 108 CB ALA A 9 -9.057 -7.623 -4.656 1.00 0.00 C ATOM 0 H ALA A 9 -8.692 -9.654 -3.301 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.855 -6.923 -3.047 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.300 -6.619 -5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.200 -8.003 -5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.913 -8.279 -4.815 1.00 0.00 H new ATOM 114 N LEU A 10 -9.536 -6.358 -1.229 1.00 0.00 N ATOM 115 CA LEU A 10 -10.507 -5.704 -0.376 1.00 0.00 C ATOM 116 C LEU A 10 -11.003 -4.465 -1.102 1.00 0.00 C ATOM 117 O LEU A 10 -10.315 -3.931 -1.978 1.00 0.00 O ATOM 118 CB LEU A 10 -9.871 -5.290 0.961 1.00 0.00 C ATOM 119 CG LEU A 10 -9.429 -6.447 1.874 1.00 0.00 C ATOM 120 CD1 LEU A 10 -8.896 -5.858 3.177 1.00 0.00 C ATOM 121 CD2 LEU A 10 -10.551 -7.413 2.255 1.00 0.00 C ATOM 0 H LEU A 10 -8.575 -6.274 -0.897 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.327 -6.390 -0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.003 -4.664 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.585 -4.673 1.507 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.684 -7.008 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.578 -6.665 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.047 -5.208 2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.682 -5.280 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.153 -8.197 2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.334 -6.871 2.785 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.967 -7.861 1.353 1.00 0.00 H new ATOM 133 N LYS A 11 -12.176 -3.976 -0.705 1.00 0.00 N ATOM 134 CA LYS A 11 -12.681 -2.694 -1.170 1.00 0.00 C ATOM 135 C LYS A 11 -12.568 -1.631 -0.081 1.00 0.00 C ATOM 136 O LYS A 11 -12.706 -0.442 -0.374 1.00 0.00 O ATOM 137 CB LYS A 11 -14.132 -2.862 -1.636 1.00 0.00 C ATOM 138 CG LYS A 11 -14.196 -3.708 -2.917 1.00 0.00 C ATOM 139 CD LYS A 11 -15.630 -4.043 -3.329 1.00 0.00 C ATOM 140 CE LYS A 11 -16.154 -5.204 -2.480 1.00 0.00 C ATOM 141 NZ LYS A 11 -17.382 -5.811 -3.027 1.00 0.00 N ATOM 0 H LYS A 11 -12.798 -4.457 -0.055 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.076 -2.355 -2.011 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.719 -3.338 -0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.577 -1.884 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.705 -3.170 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.640 -4.633 -2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.269 -3.169 -3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.662 -4.309 -4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.381 -5.968 -2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.351 -4.847 -1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.689 -6.590 -2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.132 -5.093 -3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.192 -6.179 -3.981 1.00 0.00 H new ATOM 155 N GLU A 12 -12.310 -2.042 1.158 1.00 0.00 N ATOM 156 CA GLU A 12 -12.268 -1.199 2.339 1.00 0.00 C ATOM 157 C GLU A 12 -11.517 -1.930 3.445 1.00 0.00 C ATOM 158 O GLU A 12 -11.395 -3.159 3.395 1.00 0.00 O ATOM 159 CB GLU A 12 -13.701 -0.880 2.790 1.00 0.00 C ATOM 160 CG GLU A 12 -14.530 -2.120 3.164 1.00 0.00 C ATOM 161 CD GLU A 12 -16.026 -1.832 3.119 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.585 -1.350 4.132 1.00 0.00 O ATOM 163 OE2 GLU A 12 -16.658 -2.090 2.071 1.00 0.00 O ATOM 0 H GLU A 12 -12.116 -3.020 1.371 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.754 -0.265 2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.660 -0.211 3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.211 -0.342 1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.295 -2.935 2.479 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.254 -2.455 4.164 1.00 0.00 H new ATOM 170 N PHE A 13 -11.045 -1.176 4.437 1.00 0.00 N ATOM 171 CA PHE A 13 -10.514 -1.670 5.704 1.00 0.00 C ATOM 172 C PHE A 13 -10.557 -0.539 6.733 1.00 0.00 C ATOM 173 O PHE A 13 -10.843 0.612 6.385 1.00 0.00 O ATOM 174 CB PHE A 13 -9.076 -2.236 5.580 1.00 0.00 C ATOM 175 CG PHE A 13 -7.940 -1.255 5.301 1.00 0.00 C ATOM 176 CD1 PHE A 13 -7.950 -0.425 4.160 1.00 0.00 C ATOM 177 CD2 PHE A 13 -6.823 -1.222 6.161 1.00 0.00 C ATOM 178 CE1 PHE A 13 -6.877 0.447 3.904 1.00 0.00 C ATOM 179 CE2 PHE A 13 -5.722 -0.393 5.872 1.00 0.00 C ATOM 180 CZ PHE A 13 -5.765 0.464 4.763 1.00 0.00 C ATOM 0 H PHE A 13 -11.022 -0.158 4.375 1.00 0.00 H new ATOM 0 HA PHE A 13 -11.140 -2.503 6.025 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.843 -2.761 6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.078 -2.980 4.783 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.787 -0.460 3.479 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.812 -1.837 7.048 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.908 1.104 3.047 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.846 -0.417 6.503 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.943 1.137 4.569 1.00 0.00 H new ATOM 190 N THR A 14 -10.193 -0.860 7.971 1.00 0.00 N ATOM 191 CA THR A 14 -9.881 0.117 9.002 1.00 0.00 C ATOM 192 C THR A 14 -8.415 -0.097 9.378 1.00 0.00 C ATOM 193 O THR A 14 -7.932 -1.235 9.418 1.00 0.00 O ATOM 194 CB THR A 14 -10.793 -0.062 10.232 1.00 0.00 C ATOM 195 OG1 THR A 14 -12.101 -0.457 9.871 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.908 1.224 11.060 1.00 0.00 C ATOM 0 H THR A 14 -10.106 -1.825 8.289 1.00 0.00 H new ATOM 0 HA THR A 14 -10.048 1.130 8.636 1.00 0.00 H new ATOM 0 HB THR A 14 -10.320 -0.843 10.826 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.646 -0.561 10.679 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.560 1.049 11.915 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.920 1.520 11.412 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.326 2.019 10.442 1.00 0.00 H new ATOM 204 N ALA A 15 -7.704 0.986 9.668 1.00 0.00 N ATOM 205 CA ALA A 15 -6.401 1.005 10.312 1.00 0.00 C ATOM 206 C ALA A 15 -6.322 2.337 11.041 1.00 0.00 C ATOM 207 O ALA A 15 -6.957 3.296 10.610 1.00 0.00 O ATOM 208 CB ALA A 15 -5.295 0.902 9.259 1.00 0.00 C ATOM 0 H ALA A 15 -8.041 1.923 9.448 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.273 0.168 10.998 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.322 0.917 9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.407 -0.029 8.704 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.367 1.745 8.572 1.00 0.00 H new ATOM 214 N ASP A 16 -5.535 2.446 12.112 1.00 0.00 N ATOM 215 CA ASP A 16 -5.354 3.720 12.828 1.00 0.00 C ATOM 216 C ASP A 16 -6.688 4.259 13.381 1.00 0.00 C ATOM 217 O ASP A 16 -6.867 5.465 13.571 1.00 0.00 O ATOM 218 CB ASP A 16 -4.699 4.741 11.868 1.00 0.00 C ATOM 219 CG ASP A 16 -3.496 5.496 12.401 1.00 0.00 C ATOM 220 OD1 ASP A 16 -3.683 6.504 13.119 1.00 0.00 O ATOM 221 OD2 ASP A 16 -2.381 5.179 11.931 1.00 0.00 O ATOM 0 H ASP A 16 -5.009 1.667 12.508 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.705 3.554 13.688 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.397 4.213 10.963 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.456 5.468 11.575 1.00 0.00 H new ATOM 226 N PHE A 17 -7.658 3.367 13.600 1.00 0.00 N ATOM 227 CA PHE A 17 -9.061 3.648 13.925 1.00 0.00 C ATOM 228 C PHE A 17 -9.766 4.531 12.886 1.00 0.00 C ATOM 229 O PHE A 17 -10.811 5.116 13.170 1.00 0.00 O ATOM 230 CB PHE A 17 -9.206 4.212 15.346 1.00 0.00 C ATOM 231 CG PHE A 17 -8.269 3.620 16.375 1.00 0.00 C ATOM 232 CD1 PHE A 17 -8.565 2.392 16.994 1.00 0.00 C ATOM 233 CD2 PHE A 17 -7.069 4.290 16.673 1.00 0.00 C ATOM 234 CE1 PHE A 17 -7.636 1.811 17.876 1.00 0.00 C ATOM 235 CE2 PHE A 17 -6.175 3.735 17.600 1.00 0.00 C ATOM 236 CZ PHE A 17 -6.436 2.481 18.166 1.00 0.00 C ATOM 0 H PHE A 17 -7.473 2.365 13.552 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.576 2.688 13.891 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.045 5.289 15.310 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.232 4.054 15.679 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -9.503 1.897 16.793 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.837 5.228 16.190 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.845 0.853 18.329 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.283 4.276 17.878 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.713 2.028 18.827 1.00 0.00 H new ATOM 246 N THR A 18 -9.187 4.638 11.694 1.00 0.00 N ATOM 247 CA THR A 18 -9.678 5.393 10.562 1.00 0.00 C ATOM 248 C THR A 18 -10.164 4.373 9.527 1.00 0.00 C ATOM 249 O THR A 18 -9.463 3.410 9.203 1.00 0.00 O ATOM 250 CB THR A 18 -8.535 6.263 10.021 1.00 0.00 C ATOM 251 OG1 THR A 18 -7.960 7.072 11.040 1.00 0.00 O ATOM 252 CG2 THR A 18 -9.016 7.171 8.891 1.00 0.00 C ATOM 0 H THR A 18 -8.306 4.167 11.487 1.00 0.00 H new ATOM 0 HA THR A 18 -10.500 6.059 10.825 1.00 0.00 H new ATOM 0 HB THR A 18 -7.779 5.575 9.642 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.235 7.611 10.660 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.183 7.774 8.529 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.404 6.562 8.075 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.805 7.826 9.261 1.00 0.00 H new ATOM 260 N GLN A 19 -11.389 4.556 9.053 1.00 0.00 N ATOM 261 CA GLN A 19 -12.012 3.777 7.999 1.00 0.00 C ATOM 262 C GLN A 19 -11.571 4.299 6.628 1.00 0.00 C ATOM 263 O GLN A 19 -11.324 5.499 6.475 1.00 0.00 O ATOM 264 CB GLN A 19 -13.519 3.914 8.214 1.00 0.00 C ATOM 265 CG GLN A 19 -14.345 3.166 7.176 1.00 0.00 C ATOM 266 CD GLN A 19 -15.621 2.658 7.818 1.00 0.00 C ATOM 267 OE1 GLN A 19 -16.568 3.409 8.058 1.00 0.00 O ATOM 268 NE2 GLN A 19 -15.626 1.380 8.136 1.00 0.00 N ATOM 0 H GLN A 19 -12.002 5.288 9.412 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.720 2.727 8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.773 3.543 9.207 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.788 4.970 8.190 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.583 3.825 6.341 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.772 2.332 6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.818 0.797 7.917 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.438 0.973 8.601 1.00 0.00 H new ATOM 277 N PHE A 20 -11.497 3.419 5.628 1.00 0.00 N ATOM 278 CA PHE A 20 -10.973 3.737 4.302 1.00 0.00 C ATOM 279 C PHE A 20 -11.595 2.848 3.243 1.00 0.00 C ATOM 280 O PHE A 20 -11.925 1.693 3.513 1.00 0.00 O ATOM 281 CB PHE A 20 -9.469 3.483 4.279 1.00 0.00 C ATOM 282 CG PHE A 20 -8.637 4.315 5.229 1.00 0.00 C ATOM 283 CD1 PHE A 20 -8.348 5.665 4.943 1.00 0.00 C ATOM 284 CD2 PHE A 20 -8.082 3.703 6.366 1.00 0.00 C ATOM 285 CE1 PHE A 20 -7.444 6.377 5.754 1.00 0.00 C ATOM 286 CE2 PHE A 20 -7.197 4.423 7.186 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.851 5.748 6.863 1.00 0.00 C ATOM 0 H PHE A 20 -11.805 2.451 5.720 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.206 4.781 4.093 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.296 2.431 4.504 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.108 3.656 3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.820 6.152 4.103 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.335 2.682 6.609 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.206 7.405 5.525 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.781 3.958 8.067 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.131 6.281 7.466 1.00 0.00 H new ATOM 297 N HIS A 21 -11.637 3.352 2.010 1.00 0.00 N ATOM 298 CA HIS A 21 -12.194 2.661 0.858 1.00 0.00 C ATOM 299 C HIS A 21 -11.297 2.916 -0.351 1.00 0.00 C ATOM 300 O HIS A 21 -10.483 3.844 -0.338 1.00 0.00 O ATOM 301 CB HIS A 21 -13.628 3.149 0.593 1.00 0.00 C ATOM 302 CG HIS A 21 -14.485 3.287 1.829 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.462 4.351 2.703 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.361 2.357 2.321 1.00 0.00 C ATOM 305 CE1 HIS A 21 -15.286 4.054 3.719 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.868 2.854 3.529 1.00 0.00 N ATOM 0 H HIS A 21 -11.273 4.278 1.784 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.236 1.589 1.050 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.582 4.115 0.090 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.113 2.455 -0.093 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.918 5.208 2.597 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.615 1.413 1.862 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.459 4.691 4.574 1.00 0.00 H new ATOM 314 N ILE A 22 -11.465 2.132 -1.420 1.00 0.00 N ATOM 315 CA ILE A 22 -10.834 2.403 -2.711 1.00 0.00 C ATOM 316 C ILE A 22 -11.302 3.788 -3.163 1.00 0.00 C ATOM 317 O ILE A 22 -12.483 3.982 -3.458 1.00 0.00 O ATOM 318 CB ILE A 22 -11.166 1.310 -3.757 1.00 0.00 C ATOM 319 CG1 ILE A 22 -10.789 -0.116 -3.306 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.503 1.607 -5.112 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.310 -0.340 -2.985 1.00 0.00 C ATOM 0 H ILE A 22 -12.043 1.292 -1.413 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.749 2.387 -2.611 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.250 1.341 -3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.376 -0.365 -2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.082 -0.815 -4.090 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.757 0.820 -5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.860 2.565 -5.489 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.421 1.647 -4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.157 -1.375 -2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.710 -0.131 -3.870 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.008 0.326 -2.177 1.00 0.00 H new ATOM 333 N GLY A 23 -10.384 4.751 -3.200 1.00 0.00 N ATOM 334 CA GLY A 23 -10.626 6.114 -3.652 1.00 0.00 C ATOM 335 C GLY A 23 -10.621 7.155 -2.537 1.00 0.00 C ATOM 336 O GLY A 23 -10.600 8.343 -2.858 1.00 0.00 O ATOM 0 H GLY A 23 -9.420 4.596 -2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.866 6.381 -4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.589 6.150 -4.162 1.00 0.00 H new ATOM 340 N ASP A 24 -10.603 6.754 -1.263 1.00 0.00 N ATOM 341 CA ASP A 24 -10.331 7.662 -0.138 1.00 0.00 C ATOM 342 C ASP A 24 -8.815 7.984 -0.167 1.00 0.00 C ATOM 343 O ASP A 24 -8.118 7.533 -1.080 1.00 0.00 O ATOM 344 CB ASP A 24 -10.781 7.028 1.199 1.00 0.00 C ATOM 345 CG ASP A 24 -12.285 6.750 1.371 1.00 0.00 C ATOM 346 OD1 ASP A 24 -13.041 6.638 0.381 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.687 6.512 2.535 1.00 0.00 O ATOM 0 H ASP A 24 -10.776 5.790 -0.979 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.899 8.588 -0.230 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.246 6.086 1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.463 7.685 2.009 1.00 0.00 H new ATOM 352 N THR A 25 -8.237 8.729 0.786 1.00 0.00 N ATOM 353 CA THR A 25 -6.818 9.049 0.822 1.00 0.00 C ATOM 354 C THR A 25 -6.232 8.495 2.134 1.00 0.00 C ATOM 355 O THR A 25 -6.964 8.269 3.098 1.00 0.00 O ATOM 356 CB THR A 25 -6.627 10.577 0.781 1.00 0.00 C ATOM 357 OG1 THR A 25 -7.718 11.311 1.310 1.00 0.00 O ATOM 358 CG2 THR A 25 -6.289 11.161 -0.605 1.00 0.00 C ATOM 0 H THR A 25 -8.760 9.130 1.565 1.00 0.00 H new ATOM 0 HA THR A 25 -6.313 8.607 -0.037 1.00 0.00 H new ATOM 0 HB THR A 25 -5.756 10.700 1.425 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.526 12.270 1.253 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.175 12.242 -0.526 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.359 10.723 -0.967 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.094 10.931 -1.303 1.00 0.00 H new ATOM 366 N VAL A 26 -4.908 8.334 2.211 1.00 0.00 N ATOM 367 CA VAL A 26 -4.200 8.001 3.450 1.00 0.00 C ATOM 368 C VAL A 26 -3.776 9.288 4.171 1.00 0.00 C ATOM 369 O VAL A 26 -3.727 10.358 3.549 1.00 0.00 O ATOM 370 CB VAL A 26 -2.994 7.091 3.144 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.450 5.857 2.365 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.853 7.742 2.348 1.00 0.00 C ATOM 0 H VAL A 26 -4.291 8.432 1.405 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.866 7.451 4.115 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.593 6.845 4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.590 5.221 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.176 5.300 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.910 6.168 1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.058 7.013 2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.230 8.083 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.460 8.592 2.905 1.00 0.00 H new ATOM 382 N PRO A 27 -3.428 9.217 5.467 1.00 0.00 N ATOM 383 CA PRO A 27 -2.603 10.228 6.116 1.00 0.00 C ATOM 384 C PRO A 27 -1.154 10.155 5.620 1.00 0.00 C ATOM 385 O PRO A 27 -0.671 9.087 5.232 1.00 0.00 O ATOM 386 CB PRO A 27 -2.704 9.914 7.609 1.00 0.00 C ATOM 387 CG PRO A 27 -2.955 8.416 7.661 1.00 0.00 C ATOM 388 CD PRO A 27 -3.760 8.145 6.395 1.00 0.00 C ATOM 0 HA PRO A 27 -2.938 11.241 5.894 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.788 10.182 8.135 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.516 10.470 8.079 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.022 7.853 7.671 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.508 8.133 8.557 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.507 7.172 5.973 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.829 8.132 6.608 1.00 0.00 H new ATOM 396 N ALA A 28 -0.428 11.273 5.719 1.00 0.00 N ATOM 397 CA ALA A 28 0.978 11.349 5.325 1.00 0.00 C ATOM 398 C ALA A 28 1.857 10.417 6.165 1.00 0.00 C ATOM 399 O ALA A 28 2.935 10.021 5.722 1.00 0.00 O ATOM 400 CB ALA A 28 1.475 12.795 5.400 1.00 0.00 C ATOM 0 H ALA A 28 -0.802 12.152 6.076 1.00 0.00 H new ATOM 0 HA ALA A 28 1.053 11.010 4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.523 12.835 5.104 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.884 13.418 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.372 13.163 6.421 1.00 0.00 H new ATOM 406 N MET A 29 1.343 9.979 7.317 1.00 0.00 N ATOM 407 CA MET A 29 1.905 8.966 8.194 1.00 0.00 C ATOM 408 C MET A 29 2.298 7.675 7.463 1.00 0.00 C ATOM 409 O MET A 29 3.140 6.945 7.990 1.00 0.00 O ATOM 410 CB MET A 29 0.880 8.604 9.276 1.00 0.00 C ATOM 411 CG MET A 29 0.337 9.778 10.098 1.00 0.00 C ATOM 412 SD MET A 29 1.447 10.430 11.369 1.00 0.00 S ATOM 413 CE MET A 29 0.188 11.000 12.543 1.00 0.00 C ATOM 0 H MET A 29 0.465 10.351 7.680 1.00 0.00 H new ATOM 0 HA MET A 29 2.812 9.397 8.619 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.040 8.099 8.800 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.337 7.888 9.958 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.082 10.588 9.415 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.589 9.463 10.578 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.675 11.442 13.412 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.446 11.746 12.063 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.423 10.155 12.860 1.00 0.00 H new ATOM 423 N TYR A 30 1.726 7.386 6.283 1.00 0.00 N ATOM 424 CA TYR A 30 2.062 6.214 5.472 1.00 0.00 C ATOM 425 C TYR A 30 2.661 6.588 4.112 1.00 0.00 C ATOM 426 O TYR A 30 3.158 5.708 3.418 1.00 0.00 O ATOM 427 CB TYR A 30 0.813 5.347 5.273 1.00 0.00 C ATOM 428 CG TYR A 30 0.219 4.821 6.565 1.00 0.00 C ATOM 429 CD1 TYR A 30 0.843 3.769 7.264 1.00 0.00 C ATOM 430 CD2 TYR A 30 -0.939 5.421 7.092 1.00 0.00 C ATOM 431 CE1 TYR A 30 0.306 3.313 8.484 1.00 0.00 C ATOM 432 CE2 TYR A 30 -1.452 5.002 8.335 1.00 0.00 C ATOM 433 CZ TYR A 30 -0.841 3.933 9.034 1.00 0.00 C ATOM 434 OH TYR A 30 -1.329 3.497 10.231 1.00 0.00 O ATOM 0 H TYR A 30 1.005 7.973 5.862 1.00 0.00 H new ATOM 0 HA TYR A 30 2.825 5.654 6.013 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.057 5.931 4.748 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.067 4.503 4.631 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.735 3.311 6.864 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.437 6.206 6.542 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.771 2.487 9.001 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.314 5.498 8.756 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.875 4.202 10.638 1.00 0.00 H new ATOM 444 N LEU A 31 2.629 7.864 3.715 1.00 0.00 N ATOM 445 CA LEU A 31 3.313 8.363 2.526 1.00 0.00 C ATOM 446 C LEU A 31 4.817 8.416 2.746 1.00 0.00 C ATOM 447 O LEU A 31 5.576 8.204 1.799 1.00 0.00 O ATOM 448 CB LEU A 31 2.775 9.762 2.189 1.00 0.00 C ATOM 449 CG LEU A 31 1.468 9.632 1.387 1.00 0.00 C ATOM 450 CD1 LEU A 31 0.421 10.694 1.692 1.00 0.00 C ATOM 451 CD2 LEU A 31 1.821 9.677 -0.099 1.00 0.00 C ATOM 0 H LEU A 31 2.118 8.587 4.221 1.00 0.00 H new ATOM 0 HA LEU A 31 3.122 7.685 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.597 10.325 3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.514 10.318 1.612 1.00 0.00 H new ATOM 0 HG LEU A 31 1.011 8.687 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.463 10.520 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.148 10.643 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.828 11.680 1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.911 9.587 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.311 10.623 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.493 8.853 -0.338 1.00 0.00 H new ATOM 463 N THR A 32 5.237 8.664 3.987 1.00 0.00 N ATOM 464 CA THR A 32 6.631 8.748 4.397 1.00 0.00 C ATOM 465 C THR A 32 7.386 7.494 3.898 1.00 0.00 C ATOM 466 O THR A 32 6.810 6.398 3.901 1.00 0.00 O ATOM 467 CB THR A 32 6.630 8.927 5.928 1.00 0.00 C ATOM 468 OG1 THR A 32 7.913 9.170 6.464 1.00 0.00 O ATOM 469 CG2 THR A 32 6.070 7.706 6.652 1.00 0.00 C ATOM 0 H THR A 32 4.589 8.817 4.759 1.00 0.00 H new ATOM 0 HA THR A 32 7.160 9.595 3.959 1.00 0.00 H new ATOM 0 HB THR A 32 5.995 9.798 6.091 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.847 9.276 7.436 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.090 7.880 7.728 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.043 7.532 6.332 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.677 6.832 6.414 1.00 0.00 H new ATOM 477 N PRO A 33 8.668 7.596 3.497 1.00 0.00 N ATOM 478 CA PRO A 33 9.392 6.499 2.857 1.00 0.00 C ATOM 479 C PRO A 33 9.637 5.317 3.806 1.00 0.00 C ATOM 480 O PRO A 33 9.994 4.234 3.340 1.00 0.00 O ATOM 481 CB PRO A 33 10.706 7.099 2.352 1.00 0.00 C ATOM 482 CG PRO A 33 10.914 8.337 3.214 1.00 0.00 C ATOM 483 CD PRO A 33 9.501 8.783 3.566 1.00 0.00 C ATOM 0 HA PRO A 33 8.804 6.080 2.041 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.532 6.396 2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.645 7.357 1.295 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.494 8.108 4.108 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.455 9.114 2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.469 9.222 4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.150 9.545 2.871 1.00 0.00 H new ATOM 491 N GLU A 34 9.397 5.487 5.111 1.00 0.00 N ATOM 492 CA GLU A 34 9.515 4.457 6.138 1.00 0.00 C ATOM 493 C GLU A 34 8.659 3.217 5.844 1.00 0.00 C ATOM 494 O GLU A 34 8.956 2.156 6.384 1.00 0.00 O ATOM 495 CB GLU A 34 9.141 5.047 7.511 1.00 0.00 C ATOM 496 CG GLU A 34 10.165 6.074 8.014 1.00 0.00 C ATOM 497 CD GLU A 34 9.924 6.444 9.481 1.00 0.00 C ATOM 498 OE1 GLU A 34 10.402 5.694 10.365 1.00 0.00 O ATOM 499 OE2 GLU A 34 9.279 7.486 9.754 1.00 0.00 O ATOM 0 H GLU A 34 9.103 6.386 5.492 1.00 0.00 H new ATOM 0 HA GLU A 34 10.553 4.126 6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.161 5.520 7.444 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.056 4.239 8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.171 5.670 7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.112 6.972 7.399 1.00 0.00 H new ATOM 506 N TYR A 35 7.647 3.308 4.973 1.00 0.00 N ATOM 507 CA TYR A 35 6.722 2.215 4.657 1.00 0.00 C ATOM 508 C TYR A 35 6.775 1.815 3.176 1.00 0.00 C ATOM 509 O TYR A 35 6.064 0.895 2.777 1.00 0.00 O ATOM 510 CB TYR A 35 5.294 2.617 5.064 1.00 0.00 C ATOM 511 CG TYR A 35 5.131 2.957 6.535 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.535 4.217 7.009 1.00 0.00 C ATOM 513 CD2 TYR A 35 4.595 2.019 7.436 1.00 0.00 C ATOM 514 CE1 TYR A 35 5.431 4.545 8.369 1.00 0.00 C ATOM 515 CE2 TYR A 35 4.446 2.350 8.793 1.00 0.00 C ATOM 516 CZ TYR A 35 4.872 3.611 9.263 1.00 0.00 C ATOM 517 OH TYR A 35 4.765 3.915 10.581 1.00 0.00 O ATOM 0 H TYR A 35 7.444 4.164 4.457 1.00 0.00 H new ATOM 0 HA TYR A 35 7.031 1.338 5.226 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.989 3.478 4.469 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.615 1.801 4.815 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.932 4.944 6.316 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.297 1.042 7.084 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.776 5.504 8.727 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.005 1.640 9.477 1.00 0.00 H new ATOM 0 HH TYR A 35 4.357 3.162 11.058 1.00 0.00 H new ATOM 527 N ASN A 36 7.595 2.492 2.366 1.00 0.00 N ATOM 528 CA ASN A 36 7.600 2.424 0.903 1.00 0.00 C ATOM 529 C ASN A 36 8.125 1.073 0.429 1.00 0.00 C ATOM 530 O ASN A 36 9.339 0.846 0.407 1.00 0.00 O ATOM 531 CB ASN A 36 8.449 3.566 0.322 1.00 0.00 C ATOM 532 CG ASN A 36 8.255 3.742 -1.181 1.00 0.00 C ATOM 533 OD1 ASN A 36 7.920 2.818 -1.921 1.00 0.00 O ATOM 534 ND2 ASN A 36 8.454 4.955 -1.660 1.00 0.00 N ATOM 0 H ASN A 36 8.304 3.130 2.729 1.00 0.00 H new ATOM 0 HA ASN A 36 6.576 2.535 0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.193 4.497 0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.502 3.371 0.527 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.330 5.137 -2.656 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.731 5.711 -1.034 1.00 0.00 H new ATOM 541 N ILE A 37 7.240 0.149 0.066 1.00 0.00 N ATOM 542 CA ILE A 37 7.630 -1.151 -0.451 1.00 0.00 C ATOM 543 C ILE A 37 7.961 -0.989 -1.933 1.00 0.00 C ATOM 544 O ILE A 37 7.152 -1.274 -2.814 1.00 0.00 O ATOM 545 CB ILE A 37 6.574 -2.244 -0.201 1.00 0.00 C ATOM 546 CG1 ILE A 37 5.982 -2.205 1.221 1.00 0.00 C ATOM 547 CG2 ILE A 37 7.250 -3.605 -0.460 1.00 0.00 C ATOM 548 CD1 ILE A 37 4.895 -3.255 1.387 1.00 0.00 C ATOM 0 H ILE A 37 6.231 0.285 0.124 1.00 0.00 H new ATOM 0 HA ILE A 37 8.511 -1.499 0.089 1.00 0.00 H new ATOM 0 HB ILE A 37 5.733 -2.076 -0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.772 -2.375 1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.571 -1.216 1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.530 -4.406 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.604 -3.645 -1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.094 -3.727 0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.494 -3.206 2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.095 -3.067 0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.315 -4.245 1.211 1.00 0.00 H new ATOM 560 N LYS A 38 9.195 -0.572 -2.215 1.00 0.00 N ATOM 561 CA LYS A 38 9.699 -0.556 -3.587 1.00 0.00 C ATOM 562 C LYS A 38 9.749 -1.965 -4.182 1.00 0.00 C ATOM 563 O LYS A 38 9.720 -2.091 -5.403 1.00 0.00 O ATOM 564 CB LYS A 38 11.039 0.210 -3.690 1.00 0.00 C ATOM 565 CG LYS A 38 10.768 1.727 -3.714 1.00 0.00 C ATOM 566 CD LYS A 38 11.974 2.643 -3.951 1.00 0.00 C ATOM 567 CE LYS A 38 12.898 2.742 -2.734 1.00 0.00 C ATOM 568 NZ LYS A 38 13.697 3.986 -2.755 1.00 0.00 N ATOM 0 H LYS A 38 9.861 -0.243 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 38 8.993 0.000 -4.203 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.679 -0.042 -2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.572 -0.089 -4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.031 1.928 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.312 2.005 -2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.543 2.272 -4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.620 3.640 -4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.303 2.707 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.566 1.881 -2.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.311 4.019 -1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.283 4.008 -3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.060 4.808 -2.750 1.00 0.00 H new ATOM 582 N GLN A 39 9.818 -3.020 -3.369 1.00 0.00 N ATOM 583 CA GLN A 39 9.871 -4.397 -3.844 1.00 0.00 C ATOM 584 C GLN A 39 8.469 -4.930 -4.137 1.00 0.00 C ATOM 585 O GLN A 39 7.741 -5.279 -3.207 1.00 0.00 O ATOM 586 CB GLN A 39 10.579 -5.282 -2.801 1.00 0.00 C ATOM 587 CG GLN A 39 12.038 -4.870 -2.551 1.00 0.00 C ATOM 588 CD GLN A 39 12.811 -4.721 -3.855 1.00 0.00 C ATOM 589 OE1 GLN A 39 12.994 -5.686 -4.596 1.00 0.00 O ATOM 590 NE2 GLN A 39 13.221 -3.508 -4.194 1.00 0.00 N ATOM 0 H GLN A 39 9.839 -2.938 -2.352 1.00 0.00 H new ATOM 0 HA GLN A 39 10.438 -4.422 -4.775 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.029 -5.236 -1.861 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.553 -6.319 -3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.062 -3.928 -2.004 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.524 -5.616 -1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 39 13.060 -2.721 -3.566 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.698 -3.361 -5.083 1.00 0.00 H new ATOM 599 N TRP A 40 8.093 -5.042 -5.413 1.00 0.00 N ATOM 600 CA TRP A 40 6.842 -5.696 -5.789 1.00 0.00 C ATOM 601 C TRP A 40 6.996 -6.761 -6.871 1.00 0.00 C ATOM 602 O TRP A 40 6.215 -7.705 -6.855 1.00 0.00 O ATOM 603 CB TRP A 40 5.787 -4.657 -6.160 1.00 0.00 C ATOM 604 CG TRP A 40 6.155 -3.712 -7.260 1.00 0.00 C ATOM 605 CD1 TRP A 40 6.728 -2.494 -7.119 1.00 0.00 C ATOM 606 CD2 TRP A 40 5.961 -3.904 -8.690 1.00 0.00 C ATOM 607 NE1 TRP A 40 6.934 -1.936 -8.368 1.00 0.00 N ATOM 608 CE2 TRP A 40 6.439 -2.746 -9.368 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.447 -4.952 -9.481 1.00 0.00 C ATOM 610 CZ2 TRP A 40 6.376 -2.618 -10.763 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.392 -4.839 -10.882 1.00 0.00 C ATOM 612 CH2 TRP A 40 5.837 -3.670 -11.520 1.00 0.00 C ATOM 0 H TRP A 40 8.637 -4.689 -6.200 1.00 0.00 H new ATOM 0 HA TRP A 40 6.504 -6.242 -4.908 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.875 -5.181 -6.448 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.552 -4.073 -5.270 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.984 -2.030 -6.178 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.393 -1.040 -8.529 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.091 -5.854 -9.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.737 -1.723 -11.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.005 -5.657 -11.471 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.765 -3.580 -12.594 1.00 0.00 H new ATOM 623 N GLN A 41 8.014 -6.690 -7.740 1.00 0.00 N ATOM 624 CA GLN A 41 8.176 -7.658 -8.833 1.00 0.00 C ATOM 625 C GLN A 41 8.336 -9.084 -8.320 1.00 0.00 C ATOM 626 O GLN A 41 7.914 -10.039 -8.965 1.00 0.00 O ATOM 627 CB GLN A 41 9.405 -7.317 -9.691 1.00 0.00 C ATOM 628 CG GLN A 41 9.098 -7.339 -11.193 1.00 0.00 C ATOM 629 CD GLN A 41 8.973 -8.716 -11.849 1.00 0.00 C ATOM 630 OE1 GLN A 41 8.130 -8.905 -12.720 1.00 0.00 O ATOM 631 NE2 GLN A 41 9.866 -9.658 -11.586 1.00 0.00 N ATOM 0 H GLN A 41 8.738 -5.972 -7.707 1.00 0.00 H new ATOM 0 HA GLN A 41 7.267 -7.595 -9.431 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.775 -6.330 -9.414 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.203 -8.028 -9.476 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.166 -6.798 -11.358 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.883 -6.786 -11.709 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.569 -9.506 -10.863 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.851 -10.535 -12.107 1.00 0.00 H new ATOM 640 N GLN A 42 8.984 -9.215 -7.165 1.00 0.00 N ATOM 641 CA GLN A 42 9.291 -10.480 -6.527 1.00 0.00 C ATOM 642 C GLN A 42 8.129 -10.955 -5.639 1.00 0.00 C ATOM 643 O GLN A 42 8.368 -11.629 -4.633 1.00 0.00 O ATOM 644 CB GLN A 42 10.614 -10.332 -5.759 1.00 0.00 C ATOM 645 CG GLN A 42 11.783 -9.971 -6.686 1.00 0.00 C ATOM 646 CD GLN A 42 13.113 -10.391 -6.071 1.00 0.00 C ATOM 647 OE1 GLN A 42 13.550 -9.847 -5.057 1.00 0.00 O ATOM 648 NE2 GLN A 42 13.762 -11.400 -6.628 1.00 0.00 N ATOM 0 H GLN A 42 9.319 -8.411 -6.634 1.00 0.00 H new ATOM 0 HA GLN A 42 9.417 -11.259 -7.279 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.505 -9.561 -4.996 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.838 -11.264 -5.240 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.653 -10.461 -7.651 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.787 -8.897 -6.872 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.391 -11.844 -7.468 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.634 -11.735 -6.217 1.00 0.00 H new ATOM 657 N ARG A 43 6.885 -10.550 -5.931 1.00 0.00 N ATOM 658 CA ARG A 43 5.697 -10.907 -5.164 1.00 0.00 C ATOM 659 C ARG A 43 4.549 -11.151 -6.138 1.00 0.00 C ATOM 660 O ARG A 43 4.584 -10.691 -7.279 1.00 0.00 O ATOM 661 CB ARG A 43 5.328 -9.781 -4.178 1.00 0.00 C ATOM 662 CG ARG A 43 6.503 -9.327 -3.298 1.00 0.00 C ATOM 663 CD ARG A 43 6.064 -8.436 -2.137 1.00 0.00 C ATOM 664 NE ARG A 43 5.392 -7.199 -2.568 1.00 0.00 N ATOM 665 CZ ARG A 43 4.853 -6.304 -1.734 1.00 0.00 C ATOM 666 NH1 ARG A 43 4.911 -6.507 -0.422 1.00 0.00 N ATOM 667 NH2 ARG A 43 4.240 -5.217 -2.199 1.00 0.00 N ATOM 0 H ARG A 43 6.679 -9.950 -6.729 1.00 0.00 H new ATOM 0 HA ARG A 43 5.893 -11.808 -4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.953 -8.925 -4.740 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.515 -10.122 -3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.015 -10.204 -2.903 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.223 -8.787 -3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.391 -9.000 -1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.937 -8.176 -1.538 1.00 0.00 H new ATOM 0 HE ARG A 43 5.334 -7.013 -3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.365 -7.343 -0.055 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.501 -5.827 0.218 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.177 -5.058 -3.205 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.834 -4.543 -1.550 1.00 0.00 H new ATOM 681 N ASN A 44 3.491 -11.802 -5.659 1.00 0.00 N ATOM 682 CA ASN A 44 2.277 -12.059 -6.432 1.00 0.00 C ATOM 683 C ASN A 44 1.540 -10.774 -6.805 1.00 0.00 C ATOM 684 O ASN A 44 0.842 -10.718 -7.824 1.00 0.00 O ATOM 685 CB ASN A 44 1.334 -12.973 -5.635 1.00 0.00 C ATOM 686 CG ASN A 44 0.436 -13.819 -6.527 1.00 0.00 C ATOM 687 OD1 ASN A 44 0.171 -13.524 -7.688 1.00 0.00 O ATOM 688 ND2 ASN A 44 -0.073 -14.913 -6.009 1.00 0.00 N ATOM 0 H ASN A 44 3.452 -12.171 -4.709 1.00 0.00 H new ATOM 0 HA ASN A 44 2.584 -12.545 -7.358 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.926 -13.629 -4.997 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.714 -12.363 -4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.682 -15.508 -6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.141 -15.168 -5.045 1.00 0.00 H new ATOM 695 N LEU A 45 1.687 -9.742 -5.970 1.00 0.00 N ATOM 696 CA LEU A 45 1.013 -8.459 -6.118 1.00 0.00 C ATOM 697 C LEU A 45 1.237 -7.842 -7.503 1.00 0.00 C ATOM 698 O LEU A 45 2.265 -8.096 -8.138 1.00 0.00 O ATOM 699 CB LEU A 45 1.493 -7.479 -5.040 1.00 0.00 C ATOM 700 CG LEU A 45 0.856 -7.794 -3.674 1.00 0.00 C ATOM 701 CD1 LEU A 45 1.839 -7.510 -2.546 1.00 0.00 C ATOM 702 CD2 LEU A 45 -0.408 -6.957 -3.459 1.00 0.00 C ATOM 0 H LEU A 45 2.295 -9.782 -5.152 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.055 -8.645 -6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.579 -7.529 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.242 -6.460 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 45 0.592 -8.852 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.370 -7.739 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.727 -8.129 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.124 -6.458 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.842 -7.196 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.153 -5.898 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.131 -7.181 -4.244 1.00 0.00 H new ATOM 714 N PRO A 46 0.298 -7.000 -7.959 1.00 0.00 N ATOM 715 CA PRO A 46 0.437 -6.262 -9.200 1.00 0.00 C ATOM 716 C PRO A 46 1.381 -5.061 -9.030 1.00 0.00 C ATOM 717 O PRO A 46 1.880 -4.756 -7.936 1.00 0.00 O ATOM 718 CB PRO A 46 -0.992 -5.838 -9.553 1.00 0.00 C ATOM 719 CG PRO A 46 -1.640 -5.637 -8.192 1.00 0.00 C ATOM 720 CD PRO A 46 -0.968 -6.681 -7.313 1.00 0.00 C ATOM 0 HA PRO A 46 0.886 -6.856 -9.996 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.006 -4.923 -10.145 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.507 -6.602 -10.135 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.473 -4.628 -7.814 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.719 -5.786 -8.237 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.806 -6.296 -6.306 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.592 -7.570 -7.218 1.00 0.00 H new ATOM 728 N ALA A 47 1.599 -4.366 -10.146 1.00 0.00 N ATOM 729 CA ALA A 47 2.355 -3.129 -10.231 1.00 0.00 C ATOM 730 C ALA A 47 1.721 -2.021 -9.367 1.00 0.00 C ATOM 731 O ALA A 47 0.561 -2.128 -8.948 1.00 0.00 O ATOM 732 CB ALA A 47 2.400 -2.713 -11.710 1.00 0.00 C ATOM 0 H ALA A 47 1.236 -4.667 -11.050 1.00 0.00 H new ATOM 0 HA ALA A 47 3.364 -3.283 -9.847 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.962 -1.785 -11.810 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.885 -3.496 -12.293 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.385 -2.564 -12.077 1.00 0.00 H new ATOM 738 N PRO A 48 2.458 -0.933 -9.086 1.00 0.00 N ATOM 739 CA PRO A 48 1.866 0.340 -8.726 1.00 0.00 C ATOM 740 C PRO A 48 1.127 0.915 -9.939 1.00 0.00 C ATOM 741 O PRO A 48 1.151 0.336 -11.020 1.00 0.00 O ATOM 742 CB PRO A 48 3.040 1.217 -8.280 1.00 0.00 C ATOM 743 CG PRO A 48 4.191 0.701 -9.133 1.00 0.00 C ATOM 744 CD PRO A 48 3.898 -0.793 -9.215 1.00 0.00 C ATOM 0 HA PRO A 48 1.128 0.266 -7.928 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.846 2.274 -8.460 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.245 1.107 -7.215 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.206 1.166 -10.119 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.159 0.900 -8.672 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.246 -1.206 -10.162 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.414 -1.335 -8.422 1.00 0.00 H new ATOM 752 N ASP A 49 0.485 2.072 -9.786 1.00 0.00 N ATOM 753 CA ASP A 49 0.055 2.911 -10.902 1.00 0.00 C ATOM 754 C ASP A 49 1.233 3.803 -11.299 1.00 0.00 C ATOM 755 O ASP A 49 2.316 3.718 -10.722 1.00 0.00 O ATOM 756 CB ASP A 49 -1.224 3.710 -10.564 1.00 0.00 C ATOM 757 CG ASP A 49 -2.513 2.926 -10.766 1.00 0.00 C ATOM 758 OD1 ASP A 49 -2.608 2.102 -11.707 1.00 0.00 O ATOM 759 OD2 ASP A 49 -3.461 3.174 -9.993 1.00 0.00 O ATOM 0 H ASP A 49 0.246 2.457 -8.872 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.224 2.291 -11.754 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.170 4.041 -9.527 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.255 4.606 -11.183 1.00 0.00 H new ATOM 764 N ALA A 50 1.058 4.640 -12.318 1.00 0.00 N ATOM 765 CA ALA A 50 2.125 5.360 -13.012 1.00 0.00 C ATOM 766 C ALA A 50 2.662 6.595 -12.263 1.00 0.00 C ATOM 767 O ALA A 50 2.989 7.614 -12.877 1.00 0.00 O ATOM 768 CB ALA A 50 1.588 5.700 -14.407 1.00 0.00 C ATOM 0 H ALA A 50 0.134 4.844 -12.699 1.00 0.00 H new ATOM 0 HA ALA A 50 3.006 4.721 -13.073 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.350 6.241 -14.968 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.334 4.780 -14.933 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.698 6.322 -14.313 1.00 0.00 H new ATOM 774 N GLY A 51 2.760 6.509 -10.942 1.00 0.00 N ATOM 775 CA GLY A 51 3.173 7.578 -10.041 1.00 0.00 C ATOM 776 C GLY A 51 2.694 7.274 -8.628 1.00 0.00 C ATOM 777 O GLY A 51 2.023 8.093 -7.997 1.00 0.00 O ATOM 0 H GLY A 51 2.542 5.646 -10.444 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.258 7.678 -10.054 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.761 8.529 -10.378 1.00 0.00 H new ATOM 781 N SER A 52 2.844 6.033 -8.178 1.00 0.00 N ATOM 782 CA SER A 52 2.381 5.597 -6.867 1.00 0.00 C ATOM 783 C SER A 52 3.319 4.534 -6.323 1.00 0.00 C ATOM 784 O SER A 52 4.210 4.068 -7.034 1.00 0.00 O ATOM 785 CB SER A 52 0.925 5.106 -6.935 1.00 0.00 C ATOM 786 OG SER A 52 0.655 4.355 -8.083 1.00 0.00 O ATOM 0 H SER A 52 3.295 5.295 -8.719 1.00 0.00 H new ATOM 0 HA SER A 52 2.394 6.443 -6.179 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.709 4.502 -6.053 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.256 5.966 -6.904 1.00 0.00 H new ATOM 0 HG SER A 52 0.585 4.953 -8.856 1.00 0.00 H new ATOM 792 N HIS A 53 3.119 4.147 -5.067 1.00 0.00 N ATOM 793 CA HIS A 53 3.905 3.111 -4.442 1.00 0.00 C ATOM 794 C HIS A 53 3.078 2.291 -3.470 1.00 0.00 C ATOM 795 O HIS A 53 2.118 2.791 -2.881 1.00 0.00 O ATOM 796 CB HIS A 53 5.108 3.716 -3.736 1.00 0.00 C ATOM 797 CG HIS A 53 4.841 4.842 -2.767 1.00 0.00 C ATOM 798 ND1 HIS A 53 4.556 6.157 -3.068 1.00 0.00 N ATOM 799 CD2 HIS A 53 4.963 4.745 -1.411 1.00 0.00 C ATOM 800 CE1 HIS A 53 4.495 6.837 -1.910 1.00 0.00 C ATOM 801 NE2 HIS A 53 4.760 6.021 -0.875 1.00 0.00 N ATOM 0 H HIS A 53 2.404 4.549 -4.461 1.00 0.00 H new ATOM 0 HA HIS A 53 4.254 2.439 -5.226 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.620 2.919 -3.196 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.799 4.080 -4.496 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.177 3.846 -0.853 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.266 7.889 -1.823 1.00 0.00 H new ATOM 0 HE2 HIS A 53 4.804 6.282 0.110 1.00 0.00 H new ATOM 809 N TRP A 54 3.447 1.021 -3.338 1.00 0.00 N ATOM 810 CA TRP A 54 2.861 0.125 -2.366 1.00 0.00 C ATOM 811 C TRP A 54 3.459 0.441 -0.996 1.00 0.00 C ATOM 812 O TRP A 54 4.655 0.723 -0.893 1.00 0.00 O ATOM 813 CB TRP A 54 3.110 -1.326 -2.793 1.00 0.00 C ATOM 814 CG TRP A 54 2.283 -1.773 -3.964 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.676 -1.843 -5.260 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.885 -2.189 -3.950 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.627 -2.320 -6.031 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.489 -2.484 -5.283 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.094 -2.331 -2.945 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -0.815 -2.858 -5.617 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.410 -2.724 -3.261 1.00 0.00 C ATOM 822 CH2 TRP A 54 -1.770 -2.978 -4.598 1.00 0.00 C ATOM 0 H TRP A 54 4.170 0.587 -3.912 1.00 0.00 H new ATOM 0 HA TRP A 54 1.781 0.260 -2.305 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.165 -1.444 -3.041 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.906 -1.982 -1.947 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.652 -1.570 -5.633 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.693 -2.523 -7.028 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.169 -2.135 -1.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.083 -3.052 -6.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.144 -2.831 -2.476 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.783 -3.266 -4.839 1.00 0.00 H new ATOM 833 N THR A 55 2.657 0.360 0.060 1.00 0.00 N ATOM 834 CA THR A 55 3.083 0.555 1.438 1.00 0.00 C ATOM 835 C THR A 55 2.506 -0.547 2.322 1.00 0.00 C ATOM 836 O THR A 55 1.664 -1.335 1.877 1.00 0.00 O ATOM 837 CB THR A 55 2.712 1.965 1.932 1.00 0.00 C ATOM 838 OG1 THR A 55 1.323 2.196 1.901 1.00 0.00 O ATOM 839 CG2 THR A 55 3.355 3.037 1.068 1.00 0.00 C ATOM 0 H THR A 55 1.662 0.150 -0.024 1.00 0.00 H new ATOM 0 HA THR A 55 4.169 0.484 1.494 1.00 0.00 H new ATOM 0 HB THR A 55 3.075 2.017 2.959 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.135 3.102 2.224 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.075 4.022 1.441 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.439 2.931 1.103 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.013 2.928 0.039 1.00 0.00 H new ATOM 847 N TYR A 56 2.971 -0.610 3.571 1.00 0.00 N ATOM 848 CA TYR A 56 2.492 -1.540 4.580 1.00 0.00 C ATOM 849 C TYR A 56 1.647 -0.771 5.591 1.00 0.00 C ATOM 850 O TYR A 56 2.194 -0.028 6.407 1.00 0.00 O ATOM 851 CB TYR A 56 3.696 -2.222 5.237 1.00 0.00 C ATOM 852 CG TYR A 56 3.362 -3.476 6.013 1.00 0.00 C ATOM 853 CD1 TYR A 56 2.928 -4.618 5.321 1.00 0.00 C ATOM 854 CD2 TYR A 56 3.537 -3.525 7.407 1.00 0.00 C ATOM 855 CE1 TYR A 56 2.729 -5.830 6.009 1.00 0.00 C ATOM 856 CE2 TYR A 56 3.332 -4.730 8.100 1.00 0.00 C ATOM 857 CZ TYR A 56 2.945 -5.893 7.402 1.00 0.00 C ATOM 858 OH TYR A 56 2.700 -7.039 8.096 1.00 0.00 O ATOM 0 H TYR A 56 3.711 0.004 3.912 1.00 0.00 H new ATOM 0 HA TYR A 56 1.868 -2.317 4.138 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.422 -2.472 4.464 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.177 -1.512 5.909 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.746 -4.566 4.258 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.829 -2.636 7.946 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.411 -6.711 5.471 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.471 -4.766 9.170 1.00 0.00 H new ATOM 0 HH TYR A 56 2.906 -6.898 9.044 1.00 0.00 H new ATOM 868 N MET A 57 0.325 -0.896 5.531 1.00 0.00 N ATOM 869 CA MET A 57 -0.630 -0.121 6.286 1.00 0.00 C ATOM 870 C MET A 57 -1.388 -1.045 7.231 1.00 0.00 C ATOM 871 O MET A 57 -2.243 -1.817 6.795 1.00 0.00 O ATOM 872 CB MET A 57 -1.557 0.505 5.252 1.00 0.00 C ATOM 873 CG MET A 57 -2.138 1.813 5.714 1.00 0.00 C ATOM 874 SD MET A 57 -3.137 1.772 7.186 1.00 0.00 S ATOM 875 CE MET A 57 -4.001 3.338 6.973 1.00 0.00 C ATOM 0 H MET A 57 -0.123 -1.579 4.920 1.00 0.00 H new ATOM 0 HA MET A 57 -0.162 0.650 6.898 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.007 0.663 4.324 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.367 -0.189 5.028 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.316 2.510 5.880 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.743 2.221 4.904 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.259 3.747 7.950 1.00 0.00 H new ATOM 0 HE2 MET A 57 -3.357 4.040 6.444 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.911 3.176 6.396 1.00 0.00 H new ATOM 885 N GLY A 58 -1.035 -1.046 8.513 1.00 0.00 N ATOM 886 CA GLY A 58 -1.723 -1.866 9.499 1.00 0.00 C ATOM 887 C GLY A 58 -1.449 -3.364 9.362 1.00 0.00 C ATOM 888 O GLY A 58 -2.038 -4.152 10.105 1.00 0.00 O ATOM 0 H GLY A 58 -0.273 -0.485 8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.426 -1.542 10.497 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.796 -1.694 9.414 1.00 0.00 H new ATOM 892 N GLY A 59 -0.585 -3.770 8.429 1.00 0.00 N ATOM 893 CA GLY A 59 -0.399 -5.157 8.042 1.00 0.00 C ATOM 894 C GLY A 59 -0.896 -5.455 6.630 1.00 0.00 C ATOM 895 O GLY A 59 -0.749 -6.594 6.177 1.00 0.00 O ATOM 0 H GLY A 59 0.014 -3.124 7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.660 -5.408 8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.924 -5.799 8.749 1.00 0.00 H new ATOM 899 N ASN A 60 -1.456 -4.470 5.920 1.00 0.00 N ATOM 900 CA ASN A 60 -2.206 -4.636 4.682 1.00 0.00 C ATOM 901 C ASN A 60 -1.494 -3.833 3.598 1.00 0.00 C ATOM 902 O ASN A 60 -0.998 -2.736 3.868 1.00 0.00 O ATOM 903 CB ASN A 60 -3.647 -4.146 4.888 1.00 0.00 C ATOM 904 CG ASN A 60 -4.275 -4.655 6.187 1.00 0.00 C ATOM 905 OD1 ASN A 60 -4.081 -5.804 6.590 1.00 0.00 O ATOM 906 ND2 ASN A 60 -4.987 -3.798 6.899 1.00 0.00 N ATOM 0 H ASN A 60 -1.393 -3.494 6.210 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.253 -5.683 4.384 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.657 -3.056 4.890 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.258 -4.469 4.045 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.384 -4.084 7.794 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.139 -2.851 6.553 1.00 0.00 H new ATOM 913 N TYR A 61 -1.402 -4.365 2.380 1.00 0.00 N ATOM 914 CA TYR A 61 -0.636 -3.738 1.317 1.00 0.00 C ATOM 915 C TYR A 61 -1.549 -2.749 0.617 1.00 0.00 C ATOM 916 O TYR A 61 -2.570 -3.154 0.055 1.00 0.00 O ATOM 917 CB TYR A 61 -0.119 -4.769 0.308 1.00 0.00 C ATOM 918 CG TYR A 61 0.928 -5.706 0.869 1.00 0.00 C ATOM 919 CD1 TYR A 61 2.136 -5.197 1.384 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.668 -7.085 0.936 1.00 0.00 C ATOM 921 CE1 TYR A 61 3.080 -6.065 1.962 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.631 -7.964 1.455 1.00 0.00 C ATOM 923 CZ TYR A 61 2.837 -7.455 1.981 1.00 0.00 C ATOM 924 OH TYR A 61 3.755 -8.298 2.514 1.00 0.00 O ATOM 0 H TYR A 61 -1.855 -5.238 2.109 1.00 0.00 H new ATOM 0 HA TYR A 61 0.235 -3.240 1.744 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.960 -5.358 -0.058 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.300 -4.244 -0.550 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.338 -4.137 1.335 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.278 -7.471 0.586 1.00 0.00 H new ATOM 0 HE1 TYR A 61 3.989 -5.669 2.390 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.449 -9.029 1.452 1.00 0.00 H new ATOM 0 HH TYR A 61 3.353 -8.789 3.261 1.00 0.00 H new ATOM 934 N VAL A 62 -1.194 -1.467 0.597 1.00 0.00 N ATOM 935 CA VAL A 62 -2.031 -0.462 -0.049 1.00 0.00 C ATOM 936 C VAL A 62 -1.187 0.269 -1.073 1.00 0.00 C ATOM 937 O VAL A 62 0.014 0.439 -0.874 1.00 0.00 O ATOM 938 CB VAL A 62 -2.703 0.449 0.994 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.459 -0.406 2.022 1.00 0.00 C ATOM 940 CG2 VAL A 62 -1.709 1.354 1.724 1.00 0.00 C ATOM 0 H VAL A 62 -0.339 -1.102 1.017 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.863 -0.924 -0.581 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.392 1.095 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.933 0.244 2.758 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.222 -0.996 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.759 -1.074 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.242 1.972 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.973 0.741 2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.202 1.995 1.002 1.00 0.00 H new ATOM 950 N LEU A 63 -1.791 0.645 -2.194 1.00 0.00 N ATOM 951 CA LEU A 63 -1.127 1.404 -3.244 1.00 0.00 C ATOM 952 C LEU A 63 -1.572 2.849 -3.119 1.00 0.00 C ATOM 953 O LEU A 63 -2.776 3.103 -3.169 1.00 0.00 O ATOM 954 CB LEU A 63 -1.496 0.831 -4.616 1.00 0.00 C ATOM 955 CG LEU A 63 -0.922 1.650 -5.783 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.609 1.686 -5.772 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.461 1.101 -7.104 1.00 0.00 C ATOM 0 H LEU A 63 -2.766 0.429 -2.401 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.043 1.342 -3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.132 -0.194 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.581 0.791 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.248 2.684 -5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.965 2.277 -6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.956 2.136 -4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.997 0.671 -5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.054 1.681 -7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.165 0.058 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.549 1.172 -7.111 1.00 0.00 H new ATOM 969 N ILE A 64 -0.620 3.778 -3.006 1.00 0.00 N ATOM 970 CA ILE A 64 -0.887 5.189 -2.756 1.00 0.00 C ATOM 971 C ILE A 64 -0.144 6.095 -3.741 1.00 0.00 C ATOM 972 O ILE A 64 1.028 5.867 -4.047 1.00 0.00 O ATOM 973 CB ILE A 64 -0.565 5.533 -1.293 1.00 0.00 C ATOM 974 CG1 ILE A 64 0.870 5.148 -0.874 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.582 4.860 -0.363 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.370 6.081 0.222 1.00 0.00 C ATOM 0 H ILE A 64 0.374 3.563 -3.088 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.949 5.373 -2.921 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.633 6.617 -1.205 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.888 4.117 -0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.534 5.201 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.348 5.108 0.672 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.585 5.214 -0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.537 3.779 -0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.383 5.797 0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.370 7.107 -0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.715 6.007 1.090 1.00 0.00 H new ATOM 988 N THR A 65 -0.827 7.105 -4.285 1.00 0.00 N ATOM 989 CA THR A 65 -0.224 8.102 -5.164 1.00 0.00 C ATOM 990 C THR A 65 0.891 8.860 -4.459 1.00 0.00 C ATOM 991 O THR A 65 0.706 9.408 -3.383 1.00 0.00 O ATOM 992 CB THR A 65 -1.281 9.028 -5.804 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.558 8.917 -5.208 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.414 8.662 -7.278 1.00 0.00 C ATOM 0 H THR A 65 -1.823 7.253 -4.124 1.00 0.00 H new ATOM 0 HA THR A 65 0.242 7.572 -5.995 1.00 0.00 H new ATOM 0 HB THR A 65 -0.939 10.053 -5.658 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.181 9.527 -5.654 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.157 9.306 -7.747 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.453 8.796 -7.774 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.727 7.622 -7.368 1.00 0.00 H new ATOM 1002 N ASP A 66 2.054 8.947 -5.097 1.00 0.00 N ATOM 1003 CA ASP A 66 3.235 9.655 -4.590 1.00 0.00 C ATOM 1004 C ASP A 66 3.132 11.176 -4.765 1.00 0.00 C ATOM 1005 O ASP A 66 4.124 11.907 -4.764 1.00 0.00 O ATOM 1006 CB ASP A 66 4.474 9.097 -5.286 1.00 0.00 C ATOM 1007 CG ASP A 66 5.700 9.109 -4.367 1.00 0.00 C ATOM 1008 OD1 ASP A 66 5.714 9.824 -3.342 1.00 0.00 O ATOM 1009 OD2 ASP A 66 6.655 8.344 -4.622 1.00 0.00 O ATOM 0 H ASP A 66 2.210 8.516 -6.008 1.00 0.00 H new ATOM 0 HA ASP A 66 3.306 9.487 -3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.277 8.077 -5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.684 9.685 -6.179 1.00 0.00 H new ATOM 1014 N THR A 67 1.909 11.623 -5.024 1.00 0.00 N ATOM 1015 CA THR A 67 1.506 12.967 -5.407 1.00 0.00 C ATOM 1016 C THR A 67 0.152 13.358 -4.774 1.00 0.00 C ATOM 1017 O THR A 67 -0.404 14.393 -5.145 1.00 0.00 O ATOM 1018 CB THR A 67 1.514 13.007 -6.955 1.00 0.00 C ATOM 1019 OG1 THR A 67 1.302 14.307 -7.477 1.00 0.00 O ATOM 1020 CG2 THR A 67 0.505 12.036 -7.589 1.00 0.00 C ATOM 0 H THR A 67 1.105 10.998 -4.966 1.00 0.00 H new ATOM 0 HA THR A 67 2.198 13.718 -5.027 1.00 0.00 H new ATOM 0 HB THR A 67 2.519 12.685 -7.226 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.672 14.791 -6.903 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.560 12.112 -8.675 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.741 11.016 -7.284 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.502 12.290 -7.258 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.431 12.517 -3.905 1.00 0.00 N ATOM 1029 CA GLU A 68 -1.739 12.734 -3.275 1.00 0.00 C ATOM 1030 C GLU A 68 -1.923 11.712 -2.152 1.00 0.00 C ATOM 1031 O GLU A 68 -2.240 12.061 -1.016 1.00 0.00 O ATOM 1032 CB GLU A 68 -2.845 12.585 -4.340 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.287 12.689 -3.841 1.00 0.00 C ATOM 1034 CD GLU A 68 -5.222 13.024 -5.015 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -5.736 12.098 -5.682 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -5.376 14.218 -5.367 1.00 0.00 O ATOM 0 H GLU A 68 0.008 11.644 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.798 13.737 -2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.691 13.349 -5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.721 11.618 -4.828 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.590 11.749 -3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.361 13.460 -3.074 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.690 10.442 -2.482 1.00 0.00 N ATOM 1044 CA GLY A 69 -1.920 9.284 -1.651 1.00 0.00 C ATOM 1045 C GLY A 69 -3.395 8.952 -1.572 1.00 0.00 C ATOM 1046 O GLY A 69 -3.885 8.585 -0.500 1.00 0.00 O ATOM 0 H GLY A 69 -1.312 10.190 -3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.373 8.431 -2.052 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.532 9.469 -0.649 1.00 0.00 H new ATOM 1050 N LYS A 70 -4.103 9.038 -2.706 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.367 8.328 -2.828 1.00 0.00 C ATOM 1052 C LYS A 70 -5.077 6.845 -2.676 1.00 0.00 C ATOM 1053 O LYS A 70 -3.983 6.388 -2.990 1.00 0.00 O ATOM 1054 CB LYS A 70 -6.068 8.600 -4.167 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.315 9.485 -4.005 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.382 9.138 -5.049 1.00 0.00 C ATOM 1057 CE LYS A 70 -7.898 9.225 -6.498 1.00 0.00 C ATOM 1058 NZ LYS A 70 -7.669 10.618 -6.931 1.00 0.00 N ATOM 0 H LYS A 70 -3.826 9.578 -3.526 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.047 8.679 -2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.368 9.083 -4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.355 7.653 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.727 9.357 -3.004 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.035 10.534 -4.103 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.744 8.127 -4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.231 9.810 -4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.974 8.657 -6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.635 8.760 -7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.609 10.654 -7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.457 11.216 -6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.779 10.967 -6.521 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.067 6.098 -2.228 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.021 4.673 -1.999 1.00 0.00 C ATOM 1074 C ILE A 71 -6.397 4.054 -3.338 1.00 0.00 C ATOM 1075 O ILE A 71 -7.584 3.890 -3.640 1.00 0.00 O ATOM 1076 CB ILE A 71 -6.972 4.352 -0.823 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.445 5.073 0.441 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.124 2.846 -0.554 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.370 4.929 1.639 1.00 0.00 C ATOM 0 H ILE A 71 -6.978 6.497 -2.002 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.054 4.270 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.967 4.707 -1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.464 4.674 0.697 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.310 6.132 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.805 2.693 0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.525 2.356 -1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.150 2.419 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.944 5.456 2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.345 5.354 1.399 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.485 3.873 1.885 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.403 3.805 -4.195 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.607 3.207 -5.499 1.00 0.00 C ATOM 1093 C LEU A 72 -6.074 1.769 -5.357 1.00 0.00 C ATOM 1094 O LEU A 72 -7.028 1.371 -6.023 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.324 3.264 -6.329 1.00 0.00 C ATOM 1096 CG LEU A 72 -3.809 4.668 -6.675 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -4.899 5.700 -6.998 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -2.779 5.213 -5.720 1.00 0.00 C ATOM 0 H LEU A 72 -4.427 4.019 -3.992 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.379 3.777 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.540 2.734 -5.787 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.492 2.721 -7.259 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.285 4.495 -7.615 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.435 6.659 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.478 5.361 -7.857 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.559 5.814 -6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.473 6.208 -6.043 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.206 5.272 -4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.911 4.554 -5.706 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.390 0.993 -4.513 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.697 -0.416 -4.269 1.00 0.00 C ATOM 1112 C LYS A 73 -5.438 -0.779 -2.810 1.00 0.00 C ATOM 1113 O LYS A 73 -4.605 -0.131 -2.170 1.00 0.00 O ATOM 1114 CB LYS A 73 -4.840 -1.314 -5.170 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.094 -1.147 -6.676 1.00 0.00 C ATOM 1116 CD LYS A 73 -4.375 -2.281 -7.416 1.00 0.00 C ATOM 1117 CE LYS A 73 -4.586 -2.293 -8.925 1.00 0.00 C ATOM 1118 NZ LYS A 73 -3.906 -1.208 -9.654 1.00 0.00 N ATOM 0 H LYS A 73 -4.595 1.333 -3.972 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.751 -0.573 -4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.789 -1.109 -4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.020 -2.354 -4.899 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.163 -1.175 -6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.728 -0.179 -7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.307 -2.208 -7.213 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.713 -3.234 -7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.239 -3.249 -9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.655 -2.234 -9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.105 -1.295 -10.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.252 -0.289 -9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.880 -1.273 -9.495 1.00 0.00 H new ATOM 1132 N VAL A 74 -6.057 -1.859 -2.339 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.775 -2.557 -1.091 1.00 0.00 C ATOM 1134 C VAL A 74 -5.763 -4.051 -1.434 1.00 0.00 C ATOM 1135 O VAL A 74 -6.695 -4.550 -2.072 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.837 -2.234 -0.009 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.540 -2.954 1.322 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -6.953 -0.723 0.260 1.00 0.00 C ATOM 0 H VAL A 74 -6.820 -2.298 -2.855 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.820 -2.242 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.784 -2.596 -0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.308 -2.700 2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.536 -4.032 1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.566 -2.640 1.696 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.709 -0.547 1.025 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.992 -0.340 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.240 -0.211 -0.658 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.724 -4.761 -0.999 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.727 -6.215 -0.869 1.00 0.00 C ATOM 1150 C TYR A 75 -4.326 -6.536 0.567 1.00 0.00 C ATOM 1151 O TYR A 75 -3.450 -5.864 1.120 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.754 -6.877 -1.847 1.00 0.00 C ATOM 1153 CG TYR A 75 -4.233 -6.883 -3.284 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -3.932 -5.799 -4.120 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -4.997 -7.952 -3.784 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -4.396 -5.775 -5.445 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -5.464 -7.937 -5.108 1.00 0.00 C ATOM 1158 CZ TYR A 75 -5.182 -6.837 -5.944 1.00 0.00 C ATOM 1159 OH TYR A 75 -5.653 -6.816 -7.223 1.00 0.00 O ATOM 0 H TYR A 75 -3.840 -4.333 -0.722 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.718 -6.603 -1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.796 -6.360 -1.796 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.578 -7.905 -1.529 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -3.340 -4.978 -3.743 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.227 -8.792 -3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.151 -4.941 -6.085 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.040 -8.769 -5.486 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.173 -7.629 -7.393 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.925 -7.557 1.178 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.509 -7.969 2.521 1.00 0.00 C ATOM 1171 C ASP A 76 -3.057 -8.469 2.492 1.00 0.00 C ATOM 1172 O ASP A 76 -2.598 -8.998 1.480 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.447 -9.040 3.093 1.00 0.00 C ATOM 1174 CG ASP A 76 -5.362 -9.055 4.622 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -4.273 -9.309 5.184 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -6.373 -8.693 5.265 1.00 0.00 O ATOM 0 H ASP A 76 -5.685 -8.106 0.776 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.567 -7.102 3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.472 -8.841 2.780 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.178 -10.019 2.697 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.325 -8.340 3.600 1.00 0.00 N ATOM 1182 CA GLY A 77 -0.985 -8.883 3.773 1.00 0.00 C ATOM 1183 C GLY A 77 -0.915 -10.400 3.626 1.00 0.00 C ATOM 1184 O GLY A 77 0.164 -10.924 3.351 1.00 0.00 O ATOM 0 H GLY A 77 -2.662 -7.840 4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.319 -8.425 3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.614 -8.605 4.760 1.00 0.00 H new ATOM 1188 N GLU A 78 -2.044 -11.103 3.744 1.00 0.00 N ATOM 1189 CA GLU A 78 -2.129 -12.543 3.516 1.00 0.00 C ATOM 1190 C GLU A 78 -1.586 -12.938 2.132 1.00 0.00 C ATOM 1191 O GLU A 78 -1.081 -14.050 1.961 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.590 -12.994 3.619 1.00 0.00 C ATOM 1193 CG GLU A 78 -4.238 -12.776 4.988 1.00 0.00 C ATOM 1194 CD GLU A 78 -5.664 -13.314 4.950 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -6.574 -12.623 4.439 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -5.833 -14.489 5.338 1.00 0.00 O ATOM 0 H GLU A 78 -2.935 -10.680 4.004 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.520 -13.032 4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.173 -12.461 2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.646 -14.054 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.664 -13.285 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.242 -11.715 5.239 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.651 -12.035 1.149 1.00 0.00 N ATOM 1204 CA ILE A 79 -1.171 -12.255 -0.207 1.00 0.00 C ATOM 1205 C ILE A 79 0.345 -12.490 -0.269 1.00 0.00 C ATOM 1206 O ILE A 79 0.822 -13.029 -1.267 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.586 -11.039 -1.060 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.503 -11.348 -2.565 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.723 -9.809 -0.721 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -2.186 -10.269 -3.406 1.00 0.00 C ATOM 0 H ILE A 79 -2.051 -11.107 1.285 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.621 -13.167 -0.599 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.625 -10.815 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.457 -11.432 -2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.969 -12.313 -2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.035 -8.965 -1.336 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.847 -9.557 0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.325 -10.034 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.105 -10.525 -4.462 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.238 -10.203 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.703 -9.308 -3.228 1.00 0.00 H new ATOM 1222 N PHE A 80 1.116 -12.078 0.747 1.00 0.00 N ATOM 1223 CA PHE A 80 2.576 -12.147 0.727 1.00 0.00 C ATOM 1224 C PHE A 80 3.026 -13.583 0.490 1.00 0.00 C ATOM 1225 O PHE A 80 3.819 -13.863 -0.413 1.00 0.00 O ATOM 1226 CB PHE A 80 3.137 -11.611 2.051 1.00 0.00 C ATOM 1227 CG PHE A 80 4.648 -11.540 2.218 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.511 -11.344 1.122 1.00 0.00 C ATOM 1229 CD2 PHE A 80 5.192 -11.649 3.511 1.00 0.00 C ATOM 1230 CE1 PHE A 80 6.901 -11.288 1.321 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.580 -11.574 3.710 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.437 -11.391 2.614 1.00 0.00 C ATOM 0 H PHE A 80 0.738 -11.686 1.609 1.00 0.00 H new ATOM 0 HA PHE A 80 2.957 -11.530 -0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.739 -10.607 2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.742 -12.232 2.855 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.104 -11.237 0.127 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.537 -11.792 4.357 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.560 -11.165 0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 80 6.988 -11.657 4.707 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.505 -11.330 2.765 1.00 0.00 H new ATOM 1242 N TYR A 81 2.468 -14.483 1.290 1.00 0.00 N ATOM 1243 CA TYR A 81 2.787 -15.895 1.332 1.00 0.00 C ATOM 1244 C TYR A 81 2.128 -16.675 0.185 1.00 0.00 C ATOM 1245 O TYR A 81 2.544 -17.797 -0.115 1.00 0.00 O ATOM 1246 CB TYR A 81 2.353 -16.444 2.698 1.00 0.00 C ATOM 1247 CG TYR A 81 2.670 -15.520 3.865 1.00 0.00 C ATOM 1248 CD1 TYR A 81 1.731 -14.543 4.249 1.00 0.00 C ATOM 1249 CD2 TYR A 81 3.921 -15.582 4.508 1.00 0.00 C ATOM 1250 CE1 TYR A 81 2.049 -13.609 5.246 1.00 0.00 C ATOM 1251 CE2 TYR A 81 4.230 -14.671 5.537 1.00 0.00 C ATOM 1252 CZ TYR A 81 3.290 -13.682 5.912 1.00 0.00 C ATOM 1253 OH TYR A 81 3.574 -12.784 6.896 1.00 0.00 O ATOM 0 H TYR A 81 1.743 -14.229 1.961 1.00 0.00 H new ATOM 0 HA TYR A 81 3.862 -16.021 1.200 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.280 -16.632 2.678 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.842 -17.404 2.864 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.762 -14.513 3.774 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.644 -16.328 4.212 1.00 0.00 H new ATOM 0 HE1 TYR A 81 1.343 -12.833 5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 81 5.184 -14.727 6.040 1.00 0.00 H new ATOM 0 HH TYR A 81 4.466 -12.967 7.258 1.00 0.00 H new ATOM 1263 N HIS A 82 1.135 -16.087 -0.488 1.00 0.00 N ATOM 1264 CA HIS A 82 0.355 -16.741 -1.513 1.00 0.00 C ATOM 1265 C HIS A 82 1.137 -16.586 -2.805 1.00 0.00 C ATOM 1266 O HIS A 82 0.906 -15.635 -3.549 1.00 0.00 O ATOM 1267 CB HIS A 82 -1.058 -16.139 -1.605 1.00 0.00 C ATOM 1268 CG HIS A 82 -1.937 -16.926 -2.551 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -2.638 -18.061 -2.234 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -2.145 -16.678 -3.880 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -3.255 -18.492 -3.340 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -2.949 -17.708 -4.395 1.00 0.00 N ATOM 0 H HIS A 82 0.854 -15.121 -0.323 1.00 0.00 H new ATOM 0 HA HIS A 82 0.202 -17.797 -1.288 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.512 -16.122 -0.614 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.992 -15.105 -1.943 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.758 -15.837 -4.436 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.909 -19.350 -3.383 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -3.241 -17.837 -5.364 1.00 0.00 H new ATOM 1280 N ARG A 83 2.035 -17.537 -3.063 1.00 0.00 N ATOM 1281 CA ARG A 83 2.888 -17.645 -4.229 1.00 0.00 C ATOM 1282 C ARG A 83 4.003 -16.612 -4.234 1.00 0.00 C ATOM 1283 O ARG A 83 5.172 -17.030 -4.107 1.00 0.00 O ATOM 1284 CB ARG A 83 2.047 -17.638 -5.517 1.00 0.00 C ATOM 1285 CG ARG A 83 2.767 -18.425 -6.600 1.00 0.00 C ATOM 1286 CD ARG A 83 2.070 -18.259 -7.959 1.00 0.00 C ATOM 1287 NE ARG A 83 2.228 -19.472 -8.771 1.00 0.00 N ATOM 1288 CZ ARG A 83 1.465 -20.569 -8.679 1.00 0.00 C ATOM 1289 NH1 ARG A 83 0.298 -20.546 -8.038 1.00 0.00 N ATOM 1290 NH2 ARG A 83 1.897 -21.702 -9.217 1.00 0.00 N ATOM 0 H ARG A 83 2.190 -18.305 -2.409 1.00 0.00 H new ATOM 0 HA ARG A 83 3.398 -18.607 -4.184 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.067 -18.075 -5.326 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.879 -16.613 -5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.800 -18.086 -6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.796 -19.480 -6.329 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.011 -18.051 -7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.490 -17.403 -8.488 1.00 0.00 H new ATOM 0 HE ARG A 83 2.979 -19.480 -9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.030 -19.682 -7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.268 -21.392 -7.979 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.799 -21.729 -9.693 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.327 -22.546 -9.155 1.00 0.00 H new