USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 525 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 46 GLN :FLIP amide:sc= 0.151 F(o=-6.8!,f=-0.34) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -137:sc= -1.31! (180deg=-4.11!) USER MOD Set 1.3: A 86 SER OG : rot 10:sc= 0.823 USER MOD Set 2.1: A 57 THR OG1 : rot -133:sc= 0.784 USER MOD Set 2.2: A 60 GLN : amide:sc= 0.743 K(o=1.5,f=0.33) USER MOD Set 3.1: A 24 THR OG1 : rot 129:sc= 1.29 USER MOD Set 3.2: A 33 THR OG1 : rot 95:sc= 1.67 USER MOD Single : A 18 MET CE :methyl -159:sc= -0.1 (180deg=-0.588) USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= 0.489 (180deg=0.351) USER MOD Single : A 26 ASN : amide:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 31 THR OG1 : rot -54:sc= 1.21 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 39 GLN : amide:sc= 0.754 K(o=0.75,f=-4.3!) USER MOD Single : A 40 THR OG1 : rot -80:sc= 1.03 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -99:sc= 0.991 USER MOD Single : A 53 GLN : amide:sc= -2.38! C(o=-2.4!,f=-7.1!) USER MOD Single : A 56 LYS NZ :NH3+ -149:sc= 1.23 (180deg=0.828) USER MOD Single : A 59 GLN :FLIP amide:sc=-0.00608 F(o=-1.3!,f=-0.0061) USER MOD Single : A 69 THR OG1 : rot 69:sc= 0.977 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 93:sc= 0.928 USER MOD Single : A 84 ASN : amide:sc= 0.739 K(o=0.74,f=-8!) USER MOD Single : A 88 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 18 -15.485 1.507 -10.691 1.00 0.00 N ATOM 2 CA MET A 18 -15.722 0.890 -9.367 1.00 0.00 C ATOM 3 C MET A 18 -14.504 1.080 -8.481 1.00 0.00 C ATOM 4 O MET A 18 -13.370 1.022 -8.957 1.00 0.00 O ATOM 5 CB MET A 18 -16.045 -0.597 -9.507 1.00 0.00 C ATOM 6 CG MET A 18 -14.899 -1.403 -10.075 1.00 0.00 C ATOM 7 SD MET A 18 -15.205 -3.179 -10.051 1.00 0.00 S ATOM 8 CE MET A 18 -15.244 -3.509 -8.289 1.00 0.00 C ATOM 0 HA MET A 18 -16.579 1.382 -8.907 1.00 0.00 H new ATOM 0 HB2 MET A 18 -16.314 -0.998 -8.530 1.00 0.00 H new ATOM 0 HB3 MET A 18 -16.917 -0.714 -10.150 1.00 0.00 H new ATOM 0 HG2 MET A 18 -14.713 -1.086 -11.101 1.00 0.00 H new ATOM 0 HG3 MET A 18 -13.994 -1.188 -9.506 1.00 0.00 H new ATOM 0 HE1 MET A 18 -15.051 -4.567 -8.113 1.00 0.00 H new ATOM 0 HE2 MET A 18 -14.480 -2.913 -7.790 1.00 0.00 H new ATOM 0 HE3 MET A 18 -16.225 -3.248 -7.892 1.00 0.00 H new ATOM 18 N ALA A 19 -14.745 1.308 -7.204 1.00 0.00 N ATOM 19 CA ALA A 19 -13.667 1.570 -6.270 1.00 0.00 C ATOM 20 C ALA A 19 -12.986 0.274 -5.842 1.00 0.00 C ATOM 21 O ALA A 19 -13.612 -0.790 -5.828 1.00 0.00 O ATOM 22 CB ALA A 19 -14.211 2.318 -5.063 1.00 0.00 C ATOM 0 H ALA A 19 -15.677 1.317 -6.790 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.916 2.187 -6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.400 2.515 -4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.648 3.263 -5.387 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.975 1.714 -4.574 1.00 0.00 H new ATOM 28 N LEU A 20 -11.709 0.368 -5.502 1.00 0.00 N ATOM 29 CA LEU A 20 -10.957 -0.801 -5.075 1.00 0.00 C ATOM 30 C LEU A 20 -10.631 -0.688 -3.593 1.00 0.00 C ATOM 31 O LEU A 20 -10.143 0.347 -3.137 1.00 0.00 O ATOM 32 CB LEU A 20 -9.666 -0.932 -5.891 1.00 0.00 C ATOM 33 CG LEU A 20 -8.805 -2.152 -5.558 1.00 0.00 C ATOM 34 CD1 LEU A 20 -9.537 -3.438 -5.912 1.00 0.00 C ATOM 35 CD2 LEU A 20 -7.471 -2.079 -6.287 1.00 0.00 C ATOM 0 H LEU A 20 -11.175 1.237 -5.513 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.563 -1.692 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.926 -0.969 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.068 -0.033 -5.741 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.612 -2.152 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.908 -4.294 -5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -10.466 -3.496 -5.344 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -9.763 -3.446 -6.978 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.872 -2.955 -6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.645 -2.052 -7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.939 -1.177 -5.983 1.00 0.00 H new ATOM 47 N LYS A 21 -10.922 -1.733 -2.834 1.00 0.00 N ATOM 48 CA LYS A 21 -10.656 -1.704 -1.408 1.00 0.00 C ATOM 49 C LYS A 21 -9.254 -2.210 -1.105 1.00 0.00 C ATOM 50 O LYS A 21 -8.795 -3.181 -1.701 1.00 0.00 O ATOM 51 CB LYS A 21 -11.676 -2.555 -0.657 1.00 0.00 C ATOM 52 CG LYS A 21 -13.111 -2.280 -1.063 1.00 0.00 C ATOM 53 CD LYS A 21 -14.093 -3.014 -0.169 1.00 0.00 C ATOM 54 CE LYS A 21 -13.869 -4.520 -0.172 1.00 0.00 C ATOM 55 NZ LYS A 21 -13.999 -5.112 -1.529 1.00 0.00 N ATOM 0 H LYS A 21 -11.337 -2.600 -3.177 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.736 -0.669 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.454 -3.608 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.569 -2.376 0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.305 -1.208 -1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.262 -2.585 -2.098 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.003 -2.638 0.850 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.110 -2.800 -0.499 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.876 -4.737 0.222 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.588 -4.992 0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.922 -6.147 -1.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.924 -4.858 -1.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.242 -4.746 -2.141 1.00 0.00 H new ATOM 69 N CYS A 22 -8.588 -1.541 -0.179 1.00 0.00 N ATOM 70 CA CYS A 22 -7.299 -1.981 0.332 1.00 0.00 C ATOM 71 C CYS A 22 -7.110 -1.466 1.750 1.00 0.00 C ATOM 72 O CYS A 22 -7.876 -0.617 2.211 1.00 0.00 O ATOM 73 CB CYS A 22 -6.149 -1.526 -0.575 1.00 0.00 C ATOM 74 SG CYS A 22 -5.768 -2.699 -1.919 1.00 0.00 S ATOM 0 H CYS A 22 -8.926 -0.675 0.241 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.285 -3.071 0.344 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.401 -0.559 -1.009 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -5.255 -1.379 0.032 1.00 0.00 H new ATOM 79 N PHE A 23 -6.118 -1.999 2.452 1.00 0.00 N ATOM 80 CA PHE A 23 -5.867 -1.582 3.824 1.00 0.00 C ATOM 81 C PHE A 23 -5.179 -0.227 3.848 1.00 0.00 C ATOM 82 O PHE A 23 -4.109 -0.066 3.271 1.00 0.00 O ATOM 83 CB PHE A 23 -4.986 -2.601 4.554 1.00 0.00 C ATOM 84 CG PHE A 23 -5.596 -3.965 4.690 1.00 0.00 C ATOM 85 CD1 PHE A 23 -6.474 -4.245 5.724 1.00 0.00 C ATOM 86 CD2 PHE A 23 -5.282 -4.972 3.791 1.00 0.00 C ATOM 87 CE1 PHE A 23 -7.029 -5.503 5.857 1.00 0.00 C ATOM 88 CE2 PHE A 23 -5.831 -6.231 3.920 1.00 0.00 C ATOM 89 CZ PHE A 23 -6.707 -6.497 4.954 1.00 0.00 C ATOM 0 H PHE A 23 -5.481 -2.713 2.098 1.00 0.00 H new ATOM 0 HA PHE A 23 -6.830 -1.514 4.331 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.039 -2.692 4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.757 -2.218 5.549 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.727 -3.472 6.434 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.599 -4.769 2.979 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.714 -5.709 6.666 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.576 -7.007 3.214 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.140 -7.481 5.056 1.00 0.00 H new ATOM 99 N THR A 24 -5.798 0.737 4.501 1.00 0.00 N ATOM 100 CA THR A 24 -5.185 2.039 4.697 1.00 0.00 C ATOM 101 C THR A 24 -4.942 2.264 6.187 1.00 0.00 C ATOM 102 O THR A 24 -5.730 1.821 7.023 1.00 0.00 O ATOM 103 CB THR A 24 -6.063 3.165 4.112 1.00 0.00 C ATOM 104 OG1 THR A 24 -6.307 2.912 2.723 1.00 0.00 O ATOM 105 CG2 THR A 24 -5.398 4.527 4.263 1.00 0.00 C ATOM 0 H THR A 24 -6.729 0.644 4.907 1.00 0.00 H new ATOM 0 HA THR A 24 -4.232 2.061 4.168 1.00 0.00 H new ATOM 0 HB THR A 24 -7.003 3.179 4.664 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.269 2.971 2.544 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.044 5.296 3.840 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.230 4.735 5.320 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.443 4.526 3.737 1.00 0.00 H new ATOM 113 N ARG A 25 -3.842 2.924 6.519 1.00 0.00 N ATOM 114 CA ARG A 25 -3.461 3.084 7.914 1.00 0.00 C ATOM 115 C ARG A 25 -4.190 4.262 8.551 1.00 0.00 C ATOM 116 O ARG A 25 -3.921 5.419 8.231 1.00 0.00 O ATOM 117 CB ARG A 25 -1.949 3.297 8.018 1.00 0.00 C ATOM 118 CG ARG A 25 -1.369 2.928 9.374 1.00 0.00 C ATOM 119 CD ARG A 25 -1.628 1.465 9.684 1.00 0.00 C ATOM 120 NE ARG A 25 -0.859 0.979 10.827 1.00 0.00 N ATOM 121 CZ ARG A 25 0.018 -0.021 10.746 1.00 0.00 C ATOM 122 NH1 ARG A 25 0.295 -0.562 9.572 1.00 0.00 N ATOM 123 NH2 ARG A 25 0.626 -0.476 11.832 1.00 0.00 N ATOM 0 H ARG A 25 -3.204 3.353 5.849 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.742 2.177 8.449 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.454 2.705 7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.724 4.343 7.809 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.297 3.123 9.382 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.813 3.554 10.148 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.691 1.324 9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.384 0.865 8.807 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.000 1.427 11.732 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.162 -0.214 8.729 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.966 -1.327 9.509 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.424 -0.060 12.741 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.296 -1.242 11.759 1.00 0.00 H new ATOM 137 N ASN A 26 -5.107 3.962 9.457 1.00 0.00 N ATOM 138 CA ASN A 26 -5.784 5.005 10.209 1.00 0.00 C ATOM 139 C ASN A 26 -5.106 5.157 11.561 1.00 0.00 C ATOM 140 O ASN A 26 -5.503 4.535 12.546 1.00 0.00 O ATOM 141 CB ASN A 26 -7.275 4.677 10.377 1.00 0.00 C ATOM 142 CG ASN A 26 -8.037 5.750 11.141 1.00 0.00 C ATOM 143 OD1 ASN A 26 -8.510 6.725 10.560 1.00 0.00 O ATOM 144 ND2 ASN A 26 -8.174 5.568 12.446 1.00 0.00 N ATOM 0 H ASN A 26 -5.398 3.012 9.688 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.717 5.947 9.664 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.726 4.549 9.393 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.376 3.726 10.900 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.687 6.250 13.005 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.767 4.746 12.892 1.00 0.00 H new ATOM 151 N GLY A 27 -4.051 5.960 11.589 1.00 0.00 N ATOM 152 CA GLY A 27 -3.259 6.066 12.796 1.00 0.00 C ATOM 153 C GLY A 27 -2.499 4.783 13.070 1.00 0.00 C ATOM 154 O GLY A 27 -1.566 4.440 12.342 1.00 0.00 O ATOM 0 H GLY A 27 -3.733 6.533 10.807 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.557 6.894 12.701 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.909 6.294 13.641 1.00 0.00 H new ATOM 158 N ASP A 28 -2.909 4.066 14.103 1.00 0.00 N ATOM 159 CA ASP A 28 -2.296 2.790 14.441 1.00 0.00 C ATOM 160 C ASP A 28 -3.059 1.644 13.783 1.00 0.00 C ATOM 161 O ASP A 28 -2.459 0.656 13.349 1.00 0.00 O ATOM 162 CB ASP A 28 -2.263 2.603 15.963 1.00 0.00 C ATOM 163 CG ASP A 28 -3.647 2.592 16.586 1.00 0.00 C ATOM 164 OD1 ASP A 28 -4.447 3.505 16.275 1.00 0.00 O ATOM 165 OD2 ASP A 28 -3.937 1.670 17.374 1.00 0.00 O ATOM 0 H ASP A 28 -3.667 4.347 14.725 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.272 2.786 14.067 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.757 1.667 16.198 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.675 3.405 16.410 1.00 0.00 H new ATOM 170 N ASP A 29 -4.376 1.804 13.685 1.00 0.00 N ATOM 171 CA ASP A 29 -5.243 0.771 13.117 1.00 0.00 C ATOM 172 C ASP A 29 -5.062 0.641 11.606 1.00 0.00 C ATOM 173 O ASP A 29 -4.643 1.584 10.926 1.00 0.00 O ATOM 174 CB ASP A 29 -6.716 1.073 13.436 1.00 0.00 C ATOM 175 CG ASP A 29 -7.673 0.160 12.685 1.00 0.00 C ATOM 176 OD1 ASP A 29 -7.568 -1.074 12.849 1.00 0.00 O ATOM 177 OD2 ASP A 29 -8.512 0.675 11.913 1.00 0.00 O ATOM 0 H ASP A 29 -4.869 2.642 13.992 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.956 -0.176 13.573 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -6.882 0.965 14.508 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.934 2.110 13.182 1.00 0.00 H new ATOM 182 N ARG A 30 -5.372 -0.540 11.088 1.00 0.00 N ATOM 183 CA ARG A 30 -5.339 -0.747 9.652 1.00 0.00 C ATOM 184 C ARG A 30 -6.738 -1.055 9.169 1.00 0.00 C ATOM 185 O ARG A 30 -7.298 -2.110 9.469 1.00 0.00 O ATOM 186 CB ARG A 30 -4.389 -1.884 9.299 1.00 0.00 C ATOM 187 CG ARG A 30 -3.036 -1.720 9.950 1.00 0.00 C ATOM 188 CD ARG A 30 -2.104 -2.874 9.636 1.00 0.00 C ATOM 189 NE ARG A 30 -2.674 -4.170 9.992 1.00 0.00 N ATOM 190 CZ ARG A 30 -2.061 -5.330 9.757 1.00 0.00 C ATOM 191 NH1 ARG A 30 -0.849 -5.345 9.209 1.00 0.00 N ATOM 192 NH2 ARG A 30 -2.655 -6.474 10.081 1.00 0.00 N ATOM 0 H ARG A 30 -5.645 -1.357 11.634 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.976 0.156 9.162 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.828 -2.832 9.611 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.266 -1.930 8.217 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.583 -0.788 9.612 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.162 -1.641 11.030 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.867 -2.866 8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.166 -2.734 10.173 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.588 -4.189 10.444 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.387 -4.468 8.968 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.381 -6.234 9.030 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.580 -6.465 10.510 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.185 -7.361 9.901 1.00 0.00 H new ATOM 206 N THR A 31 -7.282 -0.142 8.405 1.00 0.00 N ATOM 207 CA THR A 31 -8.688 -0.198 8.065 1.00 0.00 C ATOM 208 C THR A 31 -8.896 -0.583 6.602 1.00 0.00 C ATOM 209 O THR A 31 -8.170 -0.123 5.718 1.00 0.00 O ATOM 210 CB THR A 31 -9.348 1.170 8.327 1.00 0.00 C ATOM 211 OG1 THR A 31 -8.758 1.787 9.481 1.00 0.00 O ATOM 212 CG2 THR A 31 -10.847 1.020 8.542 1.00 0.00 C ATOM 0 H THR A 31 -6.777 0.649 8.005 1.00 0.00 H new ATOM 0 HA THR A 31 -9.149 -0.962 8.692 1.00 0.00 H new ATOM 0 HB THR A 31 -9.183 1.798 7.452 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.810 1.173 10.243 1.00 0.00 H new ATOM 0 HG21 THR A 31 -11.288 2.000 8.725 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.299 0.578 7.654 1.00 0.00 H new ATOM 0 HG23 THR A 31 -11.029 0.374 9.401 1.00 0.00 H new ATOM 220 N VAL A 32 -9.878 -1.442 6.354 1.00 0.00 N ATOM 221 CA VAL A 32 -10.266 -1.767 4.990 1.00 0.00 C ATOM 222 C VAL A 32 -11.044 -0.603 4.394 1.00 0.00 C ATOM 223 O VAL A 32 -12.197 -0.367 4.756 1.00 0.00 O ATOM 224 CB VAL A 32 -11.138 -3.045 4.924 1.00 0.00 C ATOM 225 CG1 VAL A 32 -11.618 -3.308 3.503 1.00 0.00 C ATOM 226 CG2 VAL A 32 -10.376 -4.247 5.450 1.00 0.00 C ATOM 0 H VAL A 32 -10.416 -1.922 7.075 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.354 -1.951 4.422 1.00 0.00 H new ATOM 0 HB VAL A 32 -12.011 -2.883 5.557 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.228 -4.211 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.212 -2.462 3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.758 -3.439 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.009 -5.132 5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.481 -4.402 4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -10.090 -4.071 6.487 1.00 0.00 H new ATOM 236 N THR A 33 -10.411 0.132 3.501 1.00 0.00 N ATOM 237 CA THR A 33 -11.059 1.276 2.892 1.00 0.00 C ATOM 238 C THR A 33 -11.283 1.046 1.412 1.00 0.00 C ATOM 239 O THR A 33 -10.454 0.436 0.737 1.00 0.00 O ATOM 240 CB THR A 33 -10.242 2.566 3.072 1.00 0.00 C ATOM 241 OG1 THR A 33 -8.911 2.372 2.576 1.00 0.00 O ATOM 242 CG2 THR A 33 -10.188 2.989 4.533 1.00 0.00 C ATOM 0 H THR A 33 -9.457 -0.040 3.183 1.00 0.00 H new ATOM 0 HA THR A 33 -12.017 1.394 3.399 1.00 0.00 H new ATOM 0 HB THR A 33 -10.734 3.358 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.860 2.682 1.648 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.603 3.904 4.625 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.200 3.167 4.898 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.723 2.200 5.123 1.00 0.00 H new ATOM 250 N THR A 34 -12.403 1.529 0.917 1.00 0.00 N ATOM 251 CA THR A 34 -12.688 1.452 -0.497 1.00 0.00 C ATOM 252 C THR A 34 -12.217 2.737 -1.180 1.00 0.00 C ATOM 253 O THR A 34 -12.758 3.818 -0.946 1.00 0.00 O ATOM 254 CB THR A 34 -14.198 1.216 -0.728 1.00 0.00 C ATOM 255 OG1 THR A 34 -14.523 1.320 -2.116 1.00 0.00 O ATOM 256 CG2 THR A 34 -15.037 2.197 0.082 1.00 0.00 C ATOM 0 H THR A 34 -13.130 1.979 1.474 1.00 0.00 H new ATOM 0 HA THR A 34 -12.151 0.609 -0.933 1.00 0.00 H new ATOM 0 HB THR A 34 -14.429 0.206 -0.391 1.00 0.00 H new ATOM 0 HG1 THR A 34 -15.483 1.166 -2.240 1.00 0.00 H new ATOM 0 HG21 THR A 34 -16.095 2.008 -0.100 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.823 2.069 1.143 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.794 3.217 -0.217 1.00 0.00 H new ATOM 264 N CYS A 35 -11.192 2.619 -2.005 1.00 0.00 N ATOM 265 CA CYS A 35 -10.568 3.788 -2.597 1.00 0.00 C ATOM 266 C CYS A 35 -10.905 3.887 -4.080 1.00 0.00 C ATOM 267 O CYS A 35 -11.208 2.886 -4.719 1.00 0.00 O ATOM 268 CB CYS A 35 -9.064 3.735 -2.354 1.00 0.00 C ATOM 269 SG CYS A 35 -8.645 3.470 -0.598 1.00 0.00 S ATOM 0 H CYS A 35 -10.776 1.729 -2.279 1.00 0.00 H new ATOM 0 HA CYS A 35 -10.958 4.690 -2.125 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.631 2.933 -2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -8.612 4.666 -2.695 1.00 0.00 H new ATOM 274 N ALA A 36 -10.837 5.097 -4.621 1.00 0.00 N ATOM 275 CA ALA A 36 -11.412 5.360 -5.938 1.00 0.00 C ATOM 276 C ALA A 36 -10.564 4.790 -7.069 1.00 0.00 C ATOM 277 O ALA A 36 -9.444 4.328 -6.848 1.00 0.00 O ATOM 278 CB ALA A 36 -11.604 6.856 -6.126 1.00 0.00 C ATOM 0 H ALA A 36 -10.396 5.903 -4.177 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.377 4.856 -5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.033 7.047 -7.110 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.276 7.236 -5.357 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.640 7.359 -6.047 1.00 0.00 H new ATOM 284 N GLU A 37 -11.113 4.850 -8.283 1.00 0.00 N ATOM 285 CA GLU A 37 -10.440 4.348 -9.473 1.00 0.00 C ATOM 286 C GLU A 37 -9.093 5.030 -9.680 1.00 0.00 C ATOM 287 O GLU A 37 -8.182 4.454 -10.281 1.00 0.00 O ATOM 288 CB GLU A 37 -11.322 4.558 -10.709 1.00 0.00 C ATOM 289 CG GLU A 37 -12.531 3.631 -10.781 1.00 0.00 C ATOM 290 CD GLU A 37 -13.752 4.146 -10.038 1.00 0.00 C ATOM 291 OE1 GLU A 37 -13.605 4.671 -8.917 1.00 0.00 O ATOM 292 OE2 GLU A 37 -14.870 3.999 -10.576 1.00 0.00 O ATOM 0 H GLU A 37 -12.035 5.248 -8.465 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.264 3.282 -9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.669 5.591 -10.722 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.715 4.415 -11.603 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.794 3.475 -11.827 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.255 2.658 -10.374 1.00 0.00 H new ATOM 299 N GLU A 38 -8.981 6.260 -9.187 1.00 0.00 N ATOM 300 CA GLU A 38 -7.714 6.977 -9.189 1.00 0.00 C ATOM 301 C GLU A 38 -6.625 6.123 -8.551 1.00 0.00 C ATOM 302 O GLU A 38 -5.523 5.986 -9.084 1.00 0.00 O ATOM 303 CB GLU A 38 -7.851 8.291 -8.427 1.00 0.00 C ATOM 304 CG GLU A 38 -8.607 8.115 -7.135 1.00 0.00 C ATOM 305 CD GLU A 38 -8.512 9.304 -6.203 1.00 0.00 C ATOM 306 OE1 GLU A 38 -8.984 10.391 -6.581 1.00 0.00 O ATOM 307 OE2 GLU A 38 -7.969 9.138 -5.088 1.00 0.00 O ATOM 0 H GLU A 38 -9.757 6.781 -8.780 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.438 7.192 -10.221 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.860 8.693 -8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.365 9.021 -9.052 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.656 7.926 -7.362 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.228 7.232 -6.621 1.00 0.00 H new ATOM 314 N GLN A 39 -6.964 5.515 -7.424 1.00 0.00 N ATOM 315 CA GLN A 39 -6.005 4.724 -6.689 1.00 0.00 C ATOM 316 C GLN A 39 -6.255 3.248 -6.939 1.00 0.00 C ATOM 317 O GLN A 39 -6.766 2.534 -6.080 1.00 0.00 O ATOM 318 CB GLN A 39 -6.091 5.031 -5.197 1.00 0.00 C ATOM 319 CG GLN A 39 -6.148 6.516 -4.900 1.00 0.00 C ATOM 320 CD GLN A 39 -6.001 6.830 -3.431 1.00 0.00 C ATOM 321 OE1 GLN A 39 -5.296 6.147 -2.701 1.00 0.00 O ATOM 322 NE2 GLN A 39 -6.688 7.854 -2.988 1.00 0.00 N ATOM 0 H GLN A 39 -7.893 5.557 -7.005 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.002 4.977 -7.034 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.977 4.549 -4.783 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.227 4.598 -4.692 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.358 7.022 -5.455 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.096 6.916 -5.258 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.264 8.398 -3.630 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.647 8.107 -2.001 1.00 0.00 H new ATOM 331 N THR A 40 -5.911 2.806 -8.135 1.00 0.00 N ATOM 332 CA THR A 40 -6.142 1.428 -8.523 1.00 0.00 C ATOM 333 C THR A 40 -4.977 0.531 -8.107 1.00 0.00 C ATOM 334 O THR A 40 -4.893 -0.630 -8.509 1.00 0.00 O ATOM 335 CB THR A 40 -6.371 1.341 -10.040 1.00 0.00 C ATOM 336 OG1 THR A 40 -6.032 2.600 -10.645 1.00 0.00 O ATOM 337 CG2 THR A 40 -7.821 0.995 -10.350 1.00 0.00 C ATOM 0 H THR A 40 -5.471 3.381 -8.853 1.00 0.00 H new ATOM 0 HA THR A 40 -7.034 1.074 -8.006 1.00 0.00 H new ATOM 0 HB THR A 40 -5.737 0.553 -10.445 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.770 3.232 -10.520 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.959 0.939 -11.430 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.069 0.033 -9.902 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.474 1.765 -9.940 1.00 0.00 H new ATOM 345 N ARG A 41 -4.072 1.081 -7.310 1.00 0.00 N ATOM 346 CA ARG A 41 -3.006 0.283 -6.745 1.00 0.00 C ATOM 347 C ARG A 41 -3.045 0.415 -5.228 1.00 0.00 C ATOM 348 O ARG A 41 -3.823 1.202 -4.686 1.00 0.00 O ATOM 349 CB ARG A 41 -1.640 0.722 -7.287 1.00 0.00 C ATOM 350 CG ARG A 41 -0.690 -0.424 -7.556 1.00 0.00 C ATOM 351 CD ARG A 41 -1.281 -1.431 -8.536 1.00 0.00 C ATOM 352 NE ARG A 41 -0.297 -2.436 -8.943 1.00 0.00 N ATOM 353 CZ ARG A 41 -0.348 -3.115 -10.090 1.00 0.00 C ATOM 354 NH1 ARG A 41 -1.325 -2.890 -10.963 1.00 0.00 N ATOM 355 NH2 ARG A 41 0.585 -4.021 -10.360 1.00 0.00 N ATOM 0 H ARG A 41 -4.058 2.066 -7.045 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.150 -0.759 -7.029 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.789 1.282 -8.210 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.179 1.403 -6.572 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.246 -0.034 -7.956 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.451 -0.926 -6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.137 -1.926 -8.077 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.651 -0.907 -9.417 1.00 0.00 H new ATOM 0 HE ARG A 41 0.478 -2.629 -8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.042 -2.194 -10.758 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.357 -3.413 -11.838 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.336 -4.195 -9.692 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.551 -4.543 -11.236 1.00 0.00 H new ATOM 369 N CYS A 42 -2.203 -0.333 -4.550 1.00 0.00 N ATOM 370 CA CYS A 42 -2.228 -0.341 -3.098 1.00 0.00 C ATOM 371 C CYS A 42 -0.809 -0.423 -2.560 1.00 0.00 C ATOM 372 O CYS A 42 -0.022 -1.254 -3.004 1.00 0.00 O ATOM 373 CB CYS A 42 -3.057 -1.522 -2.592 1.00 0.00 C ATOM 374 SG CYS A 42 -4.747 -1.590 -3.272 1.00 0.00 S ATOM 0 H CYS A 42 -1.499 -0.938 -4.972 1.00 0.00 H new ATOM 0 HA CYS A 42 -2.688 0.582 -2.744 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -2.539 -2.448 -2.840 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.116 -1.471 -1.505 1.00 0.00 H new ATOM 379 N LEU A 43 -0.494 0.440 -1.611 1.00 0.00 N ATOM 380 CA LEU A 43 0.856 0.540 -1.087 1.00 0.00 C ATOM 381 C LEU A 43 1.040 -0.378 0.118 1.00 0.00 C ATOM 382 O LEU A 43 0.208 -0.405 1.031 1.00 0.00 O ATOM 383 CB LEU A 43 1.146 1.988 -0.674 1.00 0.00 C ATOM 384 CG LEU A 43 2.535 2.532 -1.032 1.00 0.00 C ATOM 385 CD1 LEU A 43 2.776 3.874 -0.365 1.00 0.00 C ATOM 386 CD2 LEU A 43 3.631 1.551 -0.668 1.00 0.00 C ATOM 0 H LEU A 43 -1.159 1.085 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 43 1.551 0.233 -1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.397 2.632 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.015 2.069 0.405 1.00 0.00 H new ATOM 0 HG LEU A 43 2.563 2.672 -2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.767 4.241 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.023 4.587 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.712 3.759 0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.600 1.972 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.604 1.357 0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.478 0.617 -1.209 1.00 0.00 H new ATOM 398 N PHE A 44 2.119 -1.145 0.092 1.00 0.00 N ATOM 399 CA PHE A 44 2.552 -1.911 1.246 1.00 0.00 C ATOM 400 C PHE A 44 4.068 -1.816 1.376 1.00 0.00 C ATOM 401 O PHE A 44 4.785 -2.191 0.457 1.00 0.00 O ATOM 402 CB PHE A 44 2.138 -3.380 1.117 1.00 0.00 C ATOM 403 CG PHE A 44 2.721 -4.242 2.195 1.00 0.00 C ATOM 404 CD1 PHE A 44 2.134 -4.330 3.448 1.00 0.00 C ATOM 405 CD2 PHE A 44 3.878 -4.951 1.953 1.00 0.00 C ATOM 406 CE1 PHE A 44 2.704 -5.113 4.436 1.00 0.00 C ATOM 407 CE2 PHE A 44 4.444 -5.732 2.927 1.00 0.00 C ATOM 408 CZ PHE A 44 3.864 -5.817 4.168 1.00 0.00 C ATOM 0 H PHE A 44 2.716 -1.253 -0.728 1.00 0.00 H new ATOM 0 HA PHE A 44 2.075 -1.498 2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.051 -3.451 1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.454 -3.758 0.145 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.226 -3.784 3.654 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.346 -4.890 0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 44 2.245 -5.174 5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.349 -6.282 2.717 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.313 -6.432 4.934 1.00 0.00 H new ATOM 418 N VAL A 45 4.554 -1.315 2.503 1.00 0.00 N ATOM 419 CA VAL A 45 5.998 -1.193 2.702 1.00 0.00 C ATOM 420 C VAL A 45 6.430 -1.959 3.954 1.00 0.00 C ATOM 421 O VAL A 45 5.708 -1.976 4.952 1.00 0.00 O ATOM 422 CB VAL A 45 6.438 0.291 2.836 1.00 0.00 C ATOM 423 CG1 VAL A 45 7.953 0.411 2.890 1.00 0.00 C ATOM 424 CG2 VAL A 45 5.880 1.133 1.695 1.00 0.00 C ATOM 0 H VAL A 45 3.984 -0.990 3.284 1.00 0.00 H new ATOM 0 HA VAL A 45 6.481 -1.618 1.822 1.00 0.00 H new ATOM 0 HB VAL A 45 6.031 0.671 3.773 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.232 1.461 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.331 -0.143 3.749 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.383 0.002 1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.204 2.167 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.246 0.745 0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.791 1.090 1.710 1.00 0.00 H new ATOM 434 N GLN A 46 7.593 -2.607 3.889 1.00 0.00 N ATOM 435 CA GLN A 46 8.144 -3.302 5.047 1.00 0.00 C ATOM 436 C GLN A 46 8.849 -2.314 5.960 1.00 0.00 C ATOM 437 O GLN A 46 9.506 -1.383 5.495 1.00 0.00 O ATOM 438 CB GLN A 46 9.176 -4.364 4.649 1.00 0.00 C ATOM 439 CG GLN A 46 8.808 -5.255 3.477 1.00 0.00 C ATOM 440 CD GLN A 46 7.719 -6.270 3.753 1.00 0.00 C ATOM 441 OE1 GLN A 46 6.871 -6.022 4.735 1.00 0.00 O flip ATOM 442 NE2 GLN A 46 7.673 -7.303 3.093 1.00 0.00 N flip ATOM 0 H GLN A 46 8.168 -2.664 3.049 1.00 0.00 H new ATOM 0 HA GLN A 46 7.304 -3.783 5.548 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.113 -3.859 4.414 1.00 0.00 H new ATOM 0 HB3 GLN A 46 9.365 -4.999 5.515 1.00 0.00 H new ATOM 0 HG2 GLN A 46 8.491 -4.623 2.647 1.00 0.00 H new ATOM 0 HG3 GLN A 46 9.702 -5.786 3.150 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.345 -7.459 2.342 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.962 -8.006 3.295 1.00 0.00 H new ATOM 451 N LEU A 47 8.718 -2.532 7.253 1.00 0.00 N ATOM 452 CA LEU A 47 9.445 -1.731 8.234 1.00 0.00 C ATOM 453 C LEU A 47 10.143 -2.661 9.214 1.00 0.00 C ATOM 454 O LEU A 47 9.696 -3.786 9.423 1.00 0.00 O ATOM 455 CB LEU A 47 8.513 -0.779 9.004 1.00 0.00 C ATOM 456 CG LEU A 47 8.139 0.535 8.306 1.00 0.00 C ATOM 457 CD1 LEU A 47 9.383 1.318 7.928 1.00 0.00 C ATOM 458 CD2 LEU A 47 7.269 0.285 7.088 1.00 0.00 C ATOM 0 H LEU A 47 8.119 -3.253 7.654 1.00 0.00 H new ATOM 0 HA LEU A 47 10.173 -1.120 7.700 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.593 -1.316 9.233 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.986 -0.536 9.955 1.00 0.00 H new ATOM 0 HG LEU A 47 7.560 1.132 9.011 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.093 2.246 7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.955 1.548 8.827 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.996 0.723 7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.022 1.236 6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.808 -0.343 6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.352 -0.218 7.393 1.00 0.00 H new ATOM 470 N PRO A 48 11.249 -2.215 9.823 1.00 0.00 N ATOM 471 CA PRO A 48 12.004 -3.015 10.798 1.00 0.00 C ATOM 472 C PRO A 48 11.283 -3.164 12.143 1.00 0.00 C ATOM 473 O PRO A 48 11.904 -3.512 13.146 1.00 0.00 O ATOM 474 CB PRO A 48 13.311 -2.226 10.986 1.00 0.00 C ATOM 475 CG PRO A 48 13.318 -1.187 9.914 1.00 0.00 C ATOM 476 CD PRO A 48 11.882 -0.910 9.594 1.00 0.00 C ATOM 0 HA PRO A 48 12.147 -4.035 10.441 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.352 -1.768 11.974 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.178 -2.881 10.901 1.00 0.00 H new ATOM 0 HG2 PRO A 48 13.823 -0.282 10.252 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.852 -1.541 9.032 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.464 -0.137 10.239 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.753 -0.571 8.566 1.00 0.00 H new ATOM 484 N TYR A 49 9.972 -2.912 12.155 1.00 0.00 N ATOM 485 CA TYR A 49 9.203 -2.981 13.398 1.00 0.00 C ATOM 486 C TYR A 49 7.704 -2.925 13.112 1.00 0.00 C ATOM 487 O TYR A 49 6.890 -3.363 13.922 1.00 0.00 O ATOM 488 CB TYR A 49 9.604 -1.848 14.360 1.00 0.00 C ATOM 489 CG TYR A 49 9.479 -0.450 13.781 1.00 0.00 C ATOM 490 CD1 TYR A 49 10.459 0.065 12.943 1.00 0.00 C ATOM 491 CD2 TYR A 49 8.385 0.354 14.078 1.00 0.00 C ATOM 492 CE1 TYR A 49 10.353 1.335 12.412 1.00 0.00 C ATOM 493 CE2 TYR A 49 8.272 1.629 13.551 1.00 0.00 C ATOM 494 CZ TYR A 49 9.259 2.114 12.719 1.00 0.00 C ATOM 495 OH TYR A 49 9.151 3.381 12.190 1.00 0.00 O ATOM 0 H TYR A 49 9.427 -2.662 11.330 1.00 0.00 H new ATOM 0 HA TYR A 49 9.430 -3.934 13.877 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.984 -1.913 15.254 1.00 0.00 H new ATOM 0 HB3 TYR A 49 10.636 -2.005 14.675 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.321 -0.540 12.702 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.611 -0.022 14.730 1.00 0.00 H new ATOM 0 HE1 TYR A 49 11.124 1.716 11.759 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.415 2.241 13.790 1.00 0.00 H new ATOM 0 HH TYR A 49 8.321 3.797 12.504 1.00 0.00 H new ATOM 505 N SER A 50 7.351 -2.381 11.958 1.00 0.00 N ATOM 506 CA SER A 50 5.950 -2.275 11.580 1.00 0.00 C ATOM 507 C SER A 50 5.790 -2.473 10.074 1.00 0.00 C ATOM 508 O SER A 50 6.639 -3.091 9.430 1.00 0.00 O ATOM 509 CB SER A 50 5.414 -0.906 12.005 1.00 0.00 C ATOM 510 OG SER A 50 6.239 0.136 11.510 1.00 0.00 O ATOM 0 H SER A 50 8.008 -2.009 11.272 1.00 0.00 H new ATOM 0 HA SER A 50 5.378 -3.054 12.085 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.397 -0.778 11.634 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.366 -0.852 13.093 1.00 0.00 H new ATOM 0 HG SER A 50 6.849 0.434 12.217 1.00 0.00 H new ATOM 516 N GLU A 51 4.696 -1.963 9.523 1.00 0.00 N ATOM 517 CA GLU A 51 4.475 -2.037 8.085 1.00 0.00 C ATOM 518 C GLU A 51 3.617 -0.867 7.603 1.00 0.00 C ATOM 519 O GLU A 51 2.897 -0.249 8.384 1.00 0.00 O ATOM 520 CB GLU A 51 3.828 -3.380 7.704 1.00 0.00 C ATOM 521 CG GLU A 51 3.049 -4.055 8.833 1.00 0.00 C ATOM 522 CD GLU A 51 1.913 -3.210 9.374 1.00 0.00 C ATOM 523 OE1 GLU A 51 0.798 -3.286 8.826 1.00 0.00 O ATOM 524 OE2 GLU A 51 2.133 -2.458 10.351 1.00 0.00 O ATOM 0 H GLU A 51 3.954 -1.497 10.045 1.00 0.00 H new ATOM 0 HA GLU A 51 5.444 -1.971 7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.155 -3.218 6.862 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.608 -4.060 7.362 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.647 -5.001 8.471 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.735 -4.291 9.647 1.00 0.00 H new ATOM 531 N ILE A 52 3.723 -0.551 6.319 1.00 0.00 N ATOM 532 CA ILE A 52 2.924 0.514 5.719 1.00 0.00 C ATOM 533 C ILE A 52 1.811 -0.068 4.863 1.00 0.00 C ATOM 534 O ILE A 52 2.046 -0.985 4.076 1.00 0.00 O ATOM 535 CB ILE A 52 3.781 1.443 4.842 1.00 0.00 C ATOM 536 CG1 ILE A 52 4.733 2.255 5.710 1.00 0.00 C ATOM 537 CG2 ILE A 52 2.915 2.366 3.992 1.00 0.00 C ATOM 538 CD1 ILE A 52 4.045 3.185 6.684 1.00 0.00 C ATOM 0 H ILE A 52 4.356 -1.018 5.670 1.00 0.00 H new ATOM 0 HA ILE A 52 2.501 1.092 6.541 1.00 0.00 H new ATOM 0 HB ILE A 52 4.363 0.820 4.163 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.371 1.570 6.268 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.385 2.842 5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.554 3.008 3.385 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.277 1.769 3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.294 2.982 4.642 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.794 3.725 7.263 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.429 3.897 6.134 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.415 2.605 7.358 1.00 0.00 H new ATOM 550 N GLN A 53 0.605 0.465 5.021 1.00 0.00 N ATOM 551 CA GLN A 53 -0.505 0.054 4.171 1.00 0.00 C ATOM 552 C GLN A 53 -1.363 1.265 3.817 1.00 0.00 C ATOM 553 O GLN A 53 -1.737 2.042 4.699 1.00 0.00 O ATOM 554 CB GLN A 53 -1.375 -1.004 4.860 1.00 0.00 C ATOM 555 CG GLN A 53 -0.625 -2.254 5.290 1.00 0.00 C ATOM 556 CD GLN A 53 -1.560 -3.400 5.619 1.00 0.00 C ATOM 557 OE1 GLN A 53 -2.040 -3.522 6.741 1.00 0.00 O ATOM 558 NE2 GLN A 53 -1.808 -4.262 4.648 1.00 0.00 N ATOM 0 H GLN A 53 0.373 1.172 5.719 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.088 -0.383 3.264 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.843 -0.557 5.737 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.179 -1.293 4.183 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.055 -2.559 4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.012 -2.026 6.162 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.390 -4.127 3.727 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.417 -5.062 4.819 1.00 0.00 H new ATOM 567 N GLU A 54 -1.677 1.412 2.531 1.00 0.00 N ATOM 568 CA GLU A 54 -2.510 2.519 2.060 1.00 0.00 C ATOM 569 C GLU A 54 -2.927 2.305 0.608 1.00 0.00 C ATOM 570 O GLU A 54 -2.326 1.505 -0.100 1.00 0.00 O ATOM 571 CB GLU A 54 -1.763 3.854 2.196 1.00 0.00 C ATOM 572 CG GLU A 54 -0.320 3.815 1.720 1.00 0.00 C ATOM 573 CD GLU A 54 0.432 5.075 2.094 1.00 0.00 C ATOM 574 OE1 GLU A 54 -0.135 6.175 1.922 1.00 0.00 O ATOM 575 OE2 GLU A 54 1.585 4.969 2.541 1.00 0.00 O ATOM 0 H GLU A 54 -1.367 0.778 1.795 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.406 2.551 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.299 4.616 1.631 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.780 4.162 3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.182 2.950 2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.298 3.687 0.638 1.00 0.00 H new ATOM 582 N CYS A 55 -3.973 2.999 0.177 1.00 0.00 N ATOM 583 CA CYS A 55 -4.314 3.031 -1.244 1.00 0.00 C ATOM 584 C CYS A 55 -3.415 4.036 -1.940 1.00 0.00 C ATOM 585 O CYS A 55 -3.051 5.055 -1.347 1.00 0.00 O ATOM 586 CB CYS A 55 -5.781 3.432 -1.449 1.00 0.00 C ATOM 587 SG CYS A 55 -6.987 2.312 -0.680 1.00 0.00 S ATOM 0 H CYS A 55 -4.593 3.541 0.779 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.170 2.035 -1.664 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -5.929 4.435 -1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.984 3.483 -2.519 1.00 0.00 H new ATOM 592 N LYS A 56 -3.044 3.758 -3.179 1.00 0.00 N ATOM 593 CA LYS A 56 -2.204 4.682 -3.919 1.00 0.00 C ATOM 594 C LYS A 56 -2.469 4.538 -5.408 1.00 0.00 C ATOM 595 O LYS A 56 -2.809 3.457 -5.879 1.00 0.00 O ATOM 596 CB LYS A 56 -0.726 4.403 -3.621 1.00 0.00 C ATOM 597 CG LYS A 56 0.159 5.641 -3.655 1.00 0.00 C ATOM 598 CD LYS A 56 -0.303 6.687 -2.650 1.00 0.00 C ATOM 599 CE LYS A 56 -0.339 6.132 -1.231 1.00 0.00 C ATOM 600 NZ LYS A 56 -0.968 7.083 -0.282 1.00 0.00 N ATOM 0 H LYS A 56 -3.307 2.913 -3.686 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.439 5.701 -3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.646 3.939 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.350 3.681 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.189 5.359 -3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.149 6.069 -4.657 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.366 7.547 -2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.295 7.043 -2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.891 5.192 -1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.676 5.909 -0.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.542 6.966 0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.814 8.057 -0.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.989 6.893 -0.226 1.00 0.00 H new ATOM 614 N THR A 57 -2.330 5.621 -6.149 1.00 0.00 N ATOM 615 CA THR A 57 -2.528 5.553 -7.582 1.00 0.00 C ATOM 616 C THR A 57 -1.421 4.713 -8.210 1.00 0.00 C ATOM 617 O THR A 57 -0.277 4.765 -7.759 1.00 0.00 O ATOM 618 CB THR A 57 -2.557 6.956 -8.214 1.00 0.00 C ATOM 619 OG1 THR A 57 -1.256 7.553 -8.161 1.00 0.00 O ATOM 620 CG2 THR A 57 -3.547 7.855 -7.488 1.00 0.00 C ATOM 0 H THR A 57 -2.085 6.543 -5.789 1.00 0.00 H new ATOM 0 HA THR A 57 -3.494 5.086 -7.773 1.00 0.00 H new ATOM 0 HB THR A 57 -2.868 6.848 -9.253 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.332 8.474 -7.836 1.00 0.00 H new ATOM 0 HG21 THR A 57 -3.551 8.841 -7.952 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.545 7.421 -7.550 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.255 7.947 -6.442 1.00 0.00 H new ATOM 628 N VAL A 58 -1.766 3.928 -9.228 1.00 0.00 N ATOM 629 CA VAL A 58 -0.813 3.001 -9.840 1.00 0.00 C ATOM 630 C VAL A 58 0.474 3.721 -10.245 1.00 0.00 C ATOM 631 O VAL A 58 1.575 3.252 -9.954 1.00 0.00 O ATOM 632 CB VAL A 58 -1.407 2.311 -11.087 1.00 0.00 C ATOM 633 CG1 VAL A 58 -0.437 1.276 -11.641 1.00 0.00 C ATOM 634 CG2 VAL A 58 -2.746 1.668 -10.766 1.00 0.00 C ATOM 0 H VAL A 58 -2.696 3.914 -9.647 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.589 2.245 -9.087 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.570 3.074 -11.849 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.874 0.801 -12.519 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.497 1.765 -11.920 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.238 0.520 -10.881 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.143 1.189 -11.661 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.613 0.921 -9.983 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.444 2.432 -10.423 1.00 0.00 H new ATOM 644 N GLN A 59 0.315 4.872 -10.892 1.00 0.00 N ATOM 645 CA GLN A 59 1.456 5.659 -11.350 1.00 0.00 C ATOM 646 C GLN A 59 2.363 6.043 -10.190 1.00 0.00 C ATOM 647 O GLN A 59 3.543 5.699 -10.171 1.00 0.00 O ATOM 648 CB GLN A 59 0.962 6.935 -12.035 1.00 0.00 C ATOM 649 CG GLN A 59 2.045 7.992 -12.215 1.00 0.00 C ATOM 650 CD GLN A 59 3.076 7.621 -13.266 1.00 0.00 C ATOM 651 OE1 GLN A 59 2.666 6.859 -14.270 1.00 0.00 O flip ATOM 652 NE2 GLN A 59 4.229 8.022 -13.183 1.00 0.00 N flip ATOM 0 H GLN A 59 -0.593 5.281 -11.111 1.00 0.00 H new ATOM 0 HA GLN A 59 2.024 5.048 -12.052 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.552 6.677 -13.012 1.00 0.00 H new ATOM 0 HB3 GLN A 59 0.147 7.359 -11.449 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.578 8.937 -12.491 1.00 0.00 H new ATOM 0 HG3 GLN A 59 2.549 8.152 -11.262 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.510 8.607 -12.396 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.909 7.771 -13.901 1.00 0.00 H new ATOM 661 N GLN A 60 1.791 6.715 -9.205 1.00 0.00 N ATOM 662 CA GLN A 60 2.583 7.242 -8.111 1.00 0.00 C ATOM 663 C GLN A 60 3.081 6.127 -7.222 1.00 0.00 C ATOM 664 O GLN A 60 4.151 6.224 -6.692 1.00 0.00 O ATOM 665 CB GLN A 60 1.777 8.245 -7.292 1.00 0.00 C ATOM 666 CG GLN A 60 1.366 9.478 -8.076 1.00 0.00 C ATOM 667 CD GLN A 60 0.435 10.375 -7.288 1.00 0.00 C ATOM 668 OE1 GLN A 60 -0.782 10.217 -7.341 1.00 0.00 O ATOM 669 NE2 GLN A 60 0.999 11.315 -6.546 1.00 0.00 N ATOM 0 H GLN A 60 0.791 6.906 -9.142 1.00 0.00 H new ATOM 0 HA GLN A 60 3.444 7.755 -8.540 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.883 7.753 -6.909 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.366 8.553 -6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.256 10.040 -8.358 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.876 9.172 -9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.014 11.412 -6.531 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.418 11.942 -5.990 1.00 0.00 H new ATOM 678 N CYS A 61 2.320 5.059 -7.076 1.00 0.00 N ATOM 679 CA CYS A 61 2.740 3.973 -6.201 1.00 0.00 C ATOM 680 C CYS A 61 3.989 3.292 -6.765 1.00 0.00 C ATOM 681 O CYS A 61 4.831 2.812 -6.016 1.00 0.00 O ATOM 682 CB CYS A 61 1.605 2.963 -6.001 1.00 0.00 C ATOM 683 SG CYS A 61 1.681 2.046 -4.425 1.00 0.00 S ATOM 0 H CYS A 61 1.423 4.917 -7.541 1.00 0.00 H new ATOM 0 HA CYS A 61 2.988 4.390 -5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 61 0.652 3.490 -6.055 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.621 2.249 -6.824 1.00 0.00 H new ATOM 688 N ALA A 62 4.107 3.238 -8.089 1.00 0.00 N ATOM 689 CA ALA A 62 5.338 2.748 -8.703 1.00 0.00 C ATOM 690 C ALA A 62 6.489 3.717 -8.424 1.00 0.00 C ATOM 691 O ALA A 62 7.602 3.306 -8.085 1.00 0.00 O ATOM 692 CB ALA A 62 5.142 2.559 -10.199 1.00 0.00 C ATOM 0 H ALA A 62 3.381 3.521 -8.747 1.00 0.00 H new ATOM 0 HA ALA A 62 5.590 1.781 -8.267 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.067 2.193 -10.644 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.345 1.836 -10.373 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.873 3.512 -10.654 1.00 0.00 H new ATOM 698 N GLU A 63 6.191 5.004 -8.549 1.00 0.00 N ATOM 699 CA GLU A 63 7.143 6.067 -8.255 1.00 0.00 C ATOM 700 C GLU A 63 7.649 5.969 -6.811 1.00 0.00 C ATOM 701 O GLU A 63 8.855 5.910 -6.542 1.00 0.00 O ATOM 702 CB GLU A 63 6.446 7.404 -8.488 1.00 0.00 C ATOM 703 CG GLU A 63 6.188 7.686 -9.954 1.00 0.00 C ATOM 704 CD GLU A 63 7.451 7.649 -10.790 1.00 0.00 C ATOM 705 OE1 GLU A 63 8.120 8.699 -10.898 1.00 0.00 O ATOM 706 OE2 GLU A 63 7.771 6.574 -11.338 1.00 0.00 O ATOM 0 H GLU A 63 5.279 5.341 -8.858 1.00 0.00 H new ATOM 0 HA GLU A 63 8.011 5.975 -8.908 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.499 7.413 -7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.057 8.204 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.480 6.953 -10.341 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.720 8.665 -10.054 1.00 0.00 H new ATOM 713 N VAL A 64 6.700 5.906 -5.897 1.00 0.00 N ATOM 714 CA VAL A 64 6.967 5.823 -4.503 1.00 0.00 C ATOM 715 C VAL A 64 7.600 4.476 -4.150 1.00 0.00 C ATOM 716 O VAL A 64 8.300 4.346 -3.150 1.00 0.00 O ATOM 717 CB VAL A 64 5.672 6.046 -3.713 1.00 0.00 C ATOM 718 CG1 VAL A 64 4.905 7.270 -4.204 1.00 0.00 C ATOM 719 CG2 VAL A 64 4.822 4.805 -3.713 1.00 0.00 C ATOM 0 H VAL A 64 5.706 5.912 -6.124 1.00 0.00 H new ATOM 0 HA VAL A 64 7.679 6.602 -4.233 1.00 0.00 H new ATOM 0 HB VAL A 64 5.948 6.254 -2.679 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.995 7.389 -3.616 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.527 8.158 -4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.644 7.139 -5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.909 4.989 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.565 4.540 -4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.375 3.985 -3.254 1.00 0.00 H new ATOM 729 N LEU A 65 7.318 3.460 -4.955 1.00 0.00 N ATOM 730 CA LEU A 65 7.957 2.173 -4.766 1.00 0.00 C ATOM 731 C LEU A 65 9.466 2.367 -4.782 1.00 0.00 C ATOM 732 O LEU A 65 10.168 1.922 -3.877 1.00 0.00 O ATOM 733 CB LEU A 65 7.562 1.198 -5.881 1.00 0.00 C ATOM 734 CG LEU A 65 7.564 -0.297 -5.525 1.00 0.00 C ATOM 735 CD1 LEU A 65 8.648 -0.652 -4.538 1.00 0.00 C ATOM 736 CD2 LEU A 65 6.201 -0.727 -5.014 1.00 0.00 C ATOM 0 H LEU A 65 6.660 3.504 -5.733 1.00 0.00 H new ATOM 0 HA LEU A 65 7.635 1.756 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.563 1.464 -6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.241 1.349 -6.721 1.00 0.00 H new ATOM 0 HG LEU A 65 7.782 -0.845 -6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.606 -1.719 -4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.621 -0.406 -4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.501 -0.087 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.223 -1.789 -4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.949 -0.153 -4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.451 -0.549 -5.785 1.00 0.00 H new ATOM 748 N GLU A 66 9.964 3.062 -5.793 1.00 0.00 N ATOM 749 CA GLU A 66 11.399 3.192 -5.937 1.00 0.00 C ATOM 750 C GLU A 66 11.994 4.137 -4.908 1.00 0.00 C ATOM 751 O GLU A 66 13.094 3.892 -4.418 1.00 0.00 O ATOM 752 CB GLU A 66 11.798 3.609 -7.353 1.00 0.00 C ATOM 753 CG GLU A 66 13.302 3.543 -7.585 1.00 0.00 C ATOM 754 CD GLU A 66 13.699 3.823 -9.018 1.00 0.00 C ATOM 755 OE1 GLU A 66 13.621 2.891 -9.847 1.00 0.00 O ATOM 756 OE2 GLU A 66 14.108 4.965 -9.308 1.00 0.00 O ATOM 0 H GLU A 66 9.409 3.533 -6.508 1.00 0.00 H new ATOM 0 HA GLU A 66 11.815 2.201 -5.754 1.00 0.00 H new ATOM 0 HB2 GLU A 66 11.295 2.963 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.450 4.625 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.795 4.262 -6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.663 2.554 -7.302 1.00 0.00 H new ATOM 763 N GLU A 67 11.273 5.190 -4.553 1.00 0.00 N ATOM 764 CA GLU A 67 11.798 6.138 -3.588 1.00 0.00 C ATOM 765 C GLU A 67 12.092 5.438 -2.254 1.00 0.00 C ATOM 766 O GLU A 67 13.144 5.652 -1.658 1.00 0.00 O ATOM 767 CB GLU A 67 10.820 7.281 -3.395 1.00 0.00 C ATOM 768 CG GLU A 67 9.557 6.808 -2.795 1.00 0.00 C ATOM 769 CD GLU A 67 8.579 7.927 -2.492 1.00 0.00 C ATOM 770 OE1 GLU A 67 7.988 8.478 -3.444 1.00 0.00 O ATOM 771 OE2 GLU A 67 8.412 8.257 -1.301 1.00 0.00 O ATOM 0 H GLU A 67 10.342 5.405 -4.911 1.00 0.00 H new ATOM 0 HA GLU A 67 12.734 6.547 -3.969 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.267 8.041 -2.755 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.615 7.753 -4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.085 6.097 -3.473 1.00 0.00 H new ATOM 0 HG3 GLU A 67 9.780 6.271 -1.873 1.00 0.00 H new ATOM 778 N VAL A 68 11.177 4.567 -1.816 1.00 0.00 N ATOM 779 CA VAL A 68 11.366 3.843 -0.559 1.00 0.00 C ATOM 780 C VAL A 68 12.339 2.682 -0.732 1.00 0.00 C ATOM 781 O VAL A 68 13.148 2.398 0.153 1.00 0.00 O ATOM 782 CB VAL A 68 10.031 3.301 0.018 1.00 0.00 C ATOM 783 CG1 VAL A 68 9.115 4.446 0.431 1.00 0.00 C ATOM 784 CG2 VAL A 68 9.323 2.383 -0.978 1.00 0.00 C ATOM 0 H VAL A 68 10.310 4.349 -2.307 1.00 0.00 H new ATOM 0 HA VAL A 68 11.778 4.565 0.146 1.00 0.00 H new ATOM 0 HB VAL A 68 10.272 2.712 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.186 4.042 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 68 9.608 5.049 1.194 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.895 5.067 -0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.392 2.022 -0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 68 9.105 2.936 -1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 68 9.967 1.535 -1.213 1.00 0.00 H new ATOM 794 N THR A 69 12.275 2.030 -1.885 1.00 0.00 N ATOM 795 CA THR A 69 13.110 0.870 -2.158 1.00 0.00 C ATOM 796 C THR A 69 14.571 1.285 -2.350 1.00 0.00 C ATOM 797 O THR A 69 15.487 0.482 -2.184 1.00 0.00 O ATOM 798 CB THR A 69 12.565 0.105 -3.384 1.00 0.00 C ATOM 799 OG1 THR A 69 11.238 -0.336 -3.097 1.00 0.00 O ATOM 800 CG2 THR A 69 13.407 -1.103 -3.757 1.00 0.00 C ATOM 0 H THR A 69 11.650 2.287 -2.649 1.00 0.00 H new ATOM 0 HA THR A 69 13.078 0.198 -1.300 1.00 0.00 H new ATOM 0 HB THR A 69 12.590 0.792 -4.230 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.639 0.438 -3.052 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.971 -1.596 -4.626 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.421 -0.781 -3.994 1.00 0.00 H new ATOM 0 HG23 THR A 69 13.434 -1.800 -2.919 1.00 0.00 H new ATOM 808 N ALA A 70 14.780 2.561 -2.657 1.00 0.00 N ATOM 809 CA ALA A 70 16.130 3.093 -2.763 1.00 0.00 C ATOM 810 C ALA A 70 16.695 3.389 -1.377 1.00 0.00 C ATOM 811 O ALA A 70 17.907 3.396 -1.178 1.00 0.00 O ATOM 812 CB ALA A 70 16.145 4.346 -3.625 1.00 0.00 C ATOM 0 H ALA A 70 14.039 3.239 -2.835 1.00 0.00 H new ATOM 0 HA ALA A 70 16.760 2.342 -3.240 1.00 0.00 H new ATOM 0 HB1 ALA A 70 17.163 4.729 -3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 70 15.781 4.105 -4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 70 15.501 5.103 -3.177 1.00 0.00 H new ATOM 818 N ILE A 71 15.802 3.629 -0.421 1.00 0.00 N ATOM 819 CA ILE A 71 16.209 3.864 0.961 1.00 0.00 C ATOM 820 C ILE A 71 16.510 2.533 1.640 1.00 0.00 C ATOM 821 O ILE A 71 17.340 2.448 2.543 1.00 0.00 O ATOM 822 CB ILE A 71 15.112 4.587 1.775 1.00 0.00 C ATOM 823 CG1 ILE A 71 14.522 5.756 0.985 1.00 0.00 C ATOM 824 CG2 ILE A 71 15.678 5.080 3.102 1.00 0.00 C ATOM 825 CD1 ILE A 71 13.388 6.463 1.700 1.00 0.00 C ATOM 0 H ILE A 71 14.795 3.666 -0.577 1.00 0.00 H new ATOM 0 HA ILE A 71 17.095 4.498 0.933 1.00 0.00 H new ATOM 0 HB ILE A 71 14.312 3.874 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 71 15.312 6.476 0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 71 14.161 5.389 0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.895 5.587 3.665 1.00 0.00 H new ATOM 0 HG22 ILE A 71 16.048 4.231 3.678 1.00 0.00 H new ATOM 0 HG23 ILE A 71 16.497 5.774 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 71 13.020 7.280 1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.579 5.757 1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 71 13.748 6.861 2.649 1.00 0.00 H new ATOM 837 N GLY A 72 15.820 1.498 1.186 1.00 0.00 N ATOM 838 CA GLY A 72 15.981 0.192 1.785 1.00 0.00 C ATOM 839 C GLY A 72 14.680 -0.332 2.355 1.00 0.00 C ATOM 840 O GLY A 72 14.672 -1.297 3.117 1.00 0.00 O ATOM 0 H GLY A 72 15.153 1.540 0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 72 16.357 -0.506 1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.729 0.245 2.576 1.00 0.00 H new ATOM 844 N TYR A 73 13.578 0.312 1.989 1.00 0.00 N ATOM 845 CA TYR A 73 12.268 -0.095 2.454 1.00 0.00 C ATOM 846 C TYR A 73 11.501 -0.819 1.353 1.00 0.00 C ATOM 847 O TYR A 73 10.998 -0.191 0.423 1.00 0.00 O ATOM 848 CB TYR A 73 11.473 1.124 2.918 1.00 0.00 C ATOM 849 CG TYR A 73 12.065 1.822 4.119 1.00 0.00 C ATOM 850 CD1 TYR A 73 12.199 1.161 5.333 1.00 0.00 C ATOM 851 CD2 TYR A 73 12.480 3.144 4.042 1.00 0.00 C ATOM 852 CE1 TYR A 73 12.735 1.798 6.436 1.00 0.00 C ATOM 853 CE2 TYR A 73 13.018 3.788 5.140 1.00 0.00 C ATOM 854 CZ TYR A 73 13.141 3.111 6.333 1.00 0.00 C ATOM 855 OH TYR A 73 13.672 3.751 7.429 1.00 0.00 O ATOM 0 H TYR A 73 13.572 1.121 1.368 1.00 0.00 H new ATOM 0 HA TYR A 73 12.403 -0.779 3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 73 11.404 1.835 2.095 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.456 0.813 3.156 1.00 0.00 H new ATOM 0 HD1 TYR A 73 11.879 0.133 5.416 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.381 3.678 3.109 1.00 0.00 H new ATOM 0 HE1 TYR A 73 12.835 1.270 7.373 1.00 0.00 H new ATOM 0 HE2 TYR A 73 13.340 4.816 5.063 1.00 0.00 H new ATOM 0 HH TYR A 73 13.909 4.671 7.188 1.00 0.00 H new ATOM 865 N PRO A 74 11.437 -2.157 1.431 1.00 0.00 N ATOM 866 CA PRO A 74 10.668 -2.984 0.491 1.00 0.00 C ATOM 867 C PRO A 74 9.211 -2.560 0.390 1.00 0.00 C ATOM 868 O PRO A 74 8.511 -2.501 1.397 1.00 0.00 O ATOM 869 CB PRO A 74 10.746 -4.367 1.128 1.00 0.00 C ATOM 870 CG PRO A 74 12.034 -4.361 1.853 1.00 0.00 C ATOM 871 CD PRO A 74 12.132 -2.985 2.435 1.00 0.00 C ATOM 0 HA PRO A 74 11.061 -2.917 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.909 -4.542 1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.717 -5.154 0.375 1.00 0.00 H new ATOM 0 HG2 PRO A 74 12.054 -5.123 2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.868 -4.568 1.182 1.00 0.00 H new ATOM 0 HD2 PRO A 74 11.653 -2.924 3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 74 13.168 -2.675 2.568 1.00 0.00 H new ATOM 879 N ALA A 75 8.752 -2.274 -0.815 1.00 0.00 N ATOM 880 CA ALA A 75 7.351 -1.932 -1.004 1.00 0.00 C ATOM 881 C ALA A 75 6.720 -2.783 -2.098 1.00 0.00 C ATOM 882 O ALA A 75 7.411 -3.290 -2.981 1.00 0.00 O ATOM 883 CB ALA A 75 7.193 -0.453 -1.312 1.00 0.00 C ATOM 0 H ALA A 75 9.316 -2.271 -1.665 1.00 0.00 H new ATOM 0 HA ALA A 75 6.827 -2.144 -0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.137 -0.221 -1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.589 0.135 -0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.739 -0.211 -2.224 1.00 0.00 H new ATOM 889 N LYS A 76 5.409 -2.959 -2.013 1.00 0.00 N ATOM 890 CA LYS A 76 4.668 -3.733 -2.999 1.00 0.00 C ATOM 891 C LYS A 76 3.355 -3.042 -3.326 1.00 0.00 C ATOM 892 O LYS A 76 2.473 -2.945 -2.475 1.00 0.00 O ATOM 893 CB LYS A 76 4.372 -5.150 -2.482 1.00 0.00 C ATOM 894 CG LYS A 76 5.091 -5.502 -1.190 1.00 0.00 C ATOM 895 CD LYS A 76 5.007 -6.989 -0.870 1.00 0.00 C ATOM 896 CE LYS A 76 5.783 -7.319 0.398 1.00 0.00 C ATOM 897 NZ LYS A 76 5.476 -8.681 0.910 1.00 0.00 N ATOM 0 H LYS A 76 4.833 -2.573 -1.265 1.00 0.00 H new ATOM 0 HA LYS A 76 5.283 -3.805 -3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.298 -5.252 -2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.653 -5.871 -3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.138 -5.207 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.659 -4.931 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.964 -7.280 -0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.404 -7.567 -1.704 1.00 0.00 H new ATOM 0 HE2 LYS A 76 6.852 -7.241 0.198 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.548 -6.583 1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.363 -8.646 1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.595 -9.024 0.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.255 -9.326 0.669 1.00 0.00 H new ATOM 911 N CYS A 77 3.229 -2.548 -4.547 1.00 0.00 N ATOM 912 CA CYS A 77 1.957 -1.993 -4.974 1.00 0.00 C ATOM 913 C CYS A 77 1.232 -2.991 -5.862 1.00 0.00 C ATOM 914 O CYS A 77 1.555 -3.145 -7.044 1.00 0.00 O ATOM 915 CB CYS A 77 2.136 -0.659 -5.705 1.00 0.00 C ATOM 916 SG CYS A 77 3.053 0.588 -4.752 1.00 0.00 S ATOM 0 H CYS A 77 3.973 -2.520 -5.245 1.00 0.00 H new ATOM 0 HA CYS A 77 1.359 -1.798 -4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 77 2.657 -0.839 -6.645 1.00 0.00 H new ATOM 0 HB3 CYS A 77 1.154 -0.259 -5.956 1.00 0.00 H new ATOM 921 N CYS A 78 0.251 -3.668 -5.291 1.00 0.00 N ATOM 922 CA CYS A 78 -0.494 -4.672 -6.035 1.00 0.00 C ATOM 923 C CYS A 78 -1.895 -4.165 -6.353 1.00 0.00 C ATOM 924 O CYS A 78 -2.375 -3.222 -5.728 1.00 0.00 O ATOM 925 CB CYS A 78 -0.586 -5.973 -5.229 1.00 0.00 C ATOM 926 SG CYS A 78 -1.562 -7.276 -6.046 1.00 0.00 S ATOM 0 H CYS A 78 -0.047 -3.544 -4.324 1.00 0.00 H new ATOM 0 HA CYS A 78 0.033 -4.869 -6.969 1.00 0.00 H new ATOM 0 HB2 CYS A 78 0.421 -6.348 -5.045 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -1.028 -5.757 -4.256 1.00 0.00 H new ATOM 931 N CYS A 79 -2.529 -4.772 -7.348 1.00 0.00 N ATOM 932 CA CYS A 79 -3.881 -4.383 -7.704 1.00 0.00 C ATOM 933 C CYS A 79 -4.810 -5.589 -7.619 1.00 0.00 C ATOM 934 O CYS A 79 -4.837 -6.439 -8.508 1.00 0.00 O ATOM 935 CB CYS A 79 -3.909 -3.767 -9.106 1.00 0.00 C ATOM 936 SG CYS A 79 -5.547 -3.259 -9.671 1.00 0.00 S ATOM 0 H CYS A 79 -2.134 -5.524 -7.913 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.230 -3.629 -6.999 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.249 -2.900 -9.121 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.503 -4.489 -9.814 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.743 -2.010 -9.368 1.00 0.00 H new ATOM 942 N GLU A 80 -5.537 -5.644 -6.518 1.00 0.00 N ATOM 943 CA GLU A 80 -6.513 -6.685 -6.234 1.00 0.00 C ATOM 944 C GLU A 80 -7.206 -6.266 -4.949 1.00 0.00 C ATOM 945 O GLU A 80 -6.716 -5.359 -4.270 1.00 0.00 O ATOM 946 CB GLU A 80 -5.846 -8.067 -6.078 1.00 0.00 C ATOM 947 CG GLU A 80 -6.821 -9.204 -5.812 1.00 0.00 C ATOM 948 CD GLU A 80 -6.376 -10.106 -4.672 1.00 0.00 C ATOM 949 OE1 GLU A 80 -5.699 -9.614 -3.742 1.00 0.00 O ATOM 950 OE2 GLU A 80 -6.716 -11.303 -4.691 1.00 0.00 O ATOM 0 H GLU A 80 -5.464 -4.948 -5.776 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.221 -6.789 -7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.283 -8.291 -6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.127 -8.021 -5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.802 -8.789 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.934 -9.800 -6.718 1.00 0.00 H new ATOM 957 N ASP A 81 -8.320 -6.889 -4.607 1.00 0.00 N ATOM 958 CA ASP A 81 -9.057 -6.426 -3.443 1.00 0.00 C ATOM 959 C ASP A 81 -8.274 -6.729 -2.171 1.00 0.00 C ATOM 960 O ASP A 81 -8.123 -7.888 -1.782 1.00 0.00 O ATOM 961 CB ASP A 81 -10.447 -7.055 -3.389 1.00 0.00 C ATOM 962 CG ASP A 81 -11.390 -6.278 -2.490 1.00 0.00 C ATOM 963 OD1 ASP A 81 -11.829 -5.176 -2.895 1.00 0.00 O ATOM 964 OD2 ASP A 81 -11.728 -6.769 -1.393 1.00 0.00 O ATOM 0 H ASP A 81 -8.724 -7.687 -5.097 1.00 0.00 H new ATOM 0 HA ASP A 81 -9.185 -5.347 -3.523 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -10.863 -7.102 -4.396 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.367 -8.081 -3.029 1.00 0.00 H new ATOM 969 N LEU A 82 -7.755 -5.664 -1.559 1.00 0.00 N ATOM 970 CA LEU A 82 -6.927 -5.749 -0.356 1.00 0.00 C ATOM 971 C LEU A 82 -5.569 -6.381 -0.669 1.00 0.00 C ATOM 972 O LEU A 82 -4.961 -6.998 0.200 1.00 0.00 O ATOM 973 CB LEU A 82 -7.633 -6.543 0.757 1.00 0.00 C ATOM 974 CG LEU A 82 -9.040 -6.060 1.138 1.00 0.00 C ATOM 975 CD1 LEU A 82 -9.538 -6.782 2.376 1.00 0.00 C ATOM 976 CD2 LEU A 82 -9.054 -4.562 1.373 1.00 0.00 C ATOM 0 H LEU A 82 -7.899 -4.709 -1.888 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.766 -4.731 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.700 -7.586 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.007 -6.516 1.649 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.706 -6.287 0.306 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.536 -6.425 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.574 -7.854 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.862 -6.587 3.208 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -10.062 -4.245 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.368 -4.314 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.742 -4.048 0.464 1.00 0.00 H new ATOM 988 N CYS A 83 -5.064 -6.171 -1.888 1.00 0.00 N ATOM 989 CA CYS A 83 -3.841 -6.862 -2.325 1.00 0.00 C ATOM 990 C CYS A 83 -2.589 -6.352 -1.613 1.00 0.00 C ATOM 991 O CYS A 83 -1.508 -6.917 -1.773 1.00 0.00 O ATOM 992 CB CYS A 83 -3.629 -6.732 -3.833 1.00 0.00 C ATOM 993 SG CYS A 83 -2.651 -8.105 -4.546 1.00 0.00 S ATOM 0 H CYS A 83 -5.471 -5.542 -2.580 1.00 0.00 H new ATOM 0 HA CYS A 83 -3.990 -7.909 -2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -4.600 -6.691 -4.327 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -3.125 -5.789 -4.042 1.00 0.00 H new ATOM 998 N ASN A 84 -2.714 -5.296 -0.822 1.00 0.00 N ATOM 999 CA ASN A 84 -1.548 -4.811 -0.087 1.00 0.00 C ATOM 1000 C ASN A 84 -1.381 -5.597 1.212 1.00 0.00 C ATOM 1001 O ASN A 84 -0.777 -5.127 2.175 1.00 0.00 O ATOM 1002 CB ASN A 84 -1.634 -3.302 0.182 1.00 0.00 C ATOM 1003 CG ASN A 84 -2.762 -2.893 1.110 1.00 0.00 C ATOM 1004 OD1 ASN A 84 -3.820 -3.524 1.164 1.00 0.00 O ATOM 1005 ND2 ASN A 84 -2.539 -1.812 1.839 1.00 0.00 N ATOM 0 H ASN A 84 -3.577 -4.772 -0.673 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.666 -4.973 -0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -0.689 -2.967 0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.756 -2.782 -0.768 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.257 -1.470 2.477 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -1.649 -1.320 1.763 1.00 0.00 H new ATOM 1012 N ARG A 85 -1.916 -6.809 1.204 1.00 0.00 N ATOM 1013 CA ARG A 85 -1.763 -7.742 2.308 1.00 0.00 C ATOM 1014 C ARG A 85 -0.520 -8.597 2.084 1.00 0.00 C ATOM 1015 O ARG A 85 -0.325 -9.148 1.001 1.00 0.00 O ATOM 1016 CB ARG A 85 -3.008 -8.634 2.406 1.00 0.00 C ATOM 1017 CG ARG A 85 -3.354 -9.329 1.093 1.00 0.00 C ATOM 1018 CD ARG A 85 -4.716 -10.003 1.140 1.00 0.00 C ATOM 1019 NE ARG A 85 -5.232 -10.280 -0.203 1.00 0.00 N ATOM 1020 CZ ARG A 85 -6.442 -10.780 -0.453 1.00 0.00 C ATOM 1021 NH1 ARG A 85 -7.248 -11.118 0.550 1.00 0.00 N ATOM 1022 NH2 ARG A 85 -6.846 -10.938 -1.706 1.00 0.00 N ATOM 0 H ARG A 85 -2.470 -7.173 0.429 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.651 -7.189 3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -2.847 -9.387 3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.857 -8.028 2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.340 -8.599 0.283 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.590 -10.073 0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.641 -10.935 1.700 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.419 -9.365 1.675 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.626 -10.077 -0.998 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.941 -10.995 1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.173 -11.500 0.354 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.231 -10.677 -2.477 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -7.772 -11.321 -1.899 1.00 0.00 H new ATOM 1036 N SER A 86 0.328 -8.695 3.093 1.00 0.00 N ATOM 1037 CA SER A 86 1.553 -9.469 2.978 1.00 0.00 C ATOM 1038 C SER A 86 2.056 -9.902 4.348 1.00 0.00 C ATOM 1039 O SER A 86 1.683 -9.313 5.364 1.00 0.00 O ATOM 1040 CB SER A 86 2.630 -8.655 2.259 1.00 0.00 C ATOM 1041 OG SER A 86 2.321 -8.478 0.886 1.00 0.00 O ATOM 0 H SER A 86 0.192 -8.249 4.000 1.00 0.00 H new ATOM 0 HA SER A 86 1.333 -10.363 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.731 -7.681 2.738 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.592 -9.159 2.354 1.00 0.00 H new ATOM 0 HG SER A 86 1.403 -8.775 0.716 1.00 0.00 H new ATOM 1047 N GLU A 87 2.893 -10.944 4.349 1.00 0.00 N ATOM 1048 CA GLU A 87 3.518 -11.439 5.574 1.00 0.00 C ATOM 1049 C GLU A 87 2.471 -11.799 6.623 1.00 0.00 C ATOM 1050 O GLU A 87 2.610 -11.482 7.805 1.00 0.00 O ATOM 1051 CB GLU A 87 4.521 -10.412 6.119 1.00 0.00 C ATOM 1052 CG GLU A 87 5.782 -10.270 5.269 1.00 0.00 C ATOM 1053 CD GLU A 87 5.500 -9.815 3.849 1.00 0.00 C ATOM 1054 OE1 GLU A 87 5.362 -8.600 3.626 1.00 0.00 O ATOM 1055 OE2 GLU A 87 5.393 -10.673 2.945 1.00 0.00 O ATOM 0 H GLU A 87 3.153 -11.462 3.509 1.00 0.00 H new ATOM 0 HA GLU A 87 4.063 -12.351 5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.030 -9.441 6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 87 4.807 -10.699 7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.454 -9.556 5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.302 -11.227 5.240 1.00 0.00 H new ATOM 1062 N GLN A 88 1.429 -12.486 6.171 1.00 0.00 N ATOM 1063 CA GLN A 88 0.358 -12.924 7.056 1.00 0.00 C ATOM 1064 C GLN A 88 0.881 -13.926 8.082 1.00 0.00 C ATOM 1065 O GLN A 88 1.405 -14.981 7.717 1.00 0.00 O ATOM 1066 CB GLN A 88 -0.771 -13.558 6.238 1.00 0.00 C ATOM 1067 CG GLN A 88 -1.456 -12.598 5.277 1.00 0.00 C ATOM 1068 CD GLN A 88 -2.214 -11.494 5.988 1.00 0.00 C ATOM 1069 OE1 GLN A 88 -1.675 -10.424 6.255 1.00 0.00 O ATOM 1070 NE2 GLN A 88 -3.472 -11.751 6.305 1.00 0.00 N ATOM 0 H GLN A 88 1.303 -12.752 5.194 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.027 -12.054 7.587 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.367 -14.397 5.671 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.516 -13.965 6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.708 -12.154 4.620 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.146 -13.156 4.644 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.884 -12.653 6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.030 -11.047 6.789 1.00 0.00 H new TER 1079 GLN A 88