USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 407 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 32 THR OG1 : rot 100:sc= 1.09 USER MOD Set 1.2: A 37 GLN :FLIP amide:sc= 0.0401 F(o=-1.9,f=1.1) USER MOD Set 2.1: A 19 GLN :FLIP amide:sc= -0.82 F(o=-2.3!,f=-0.82) USER MOD Set 2.2: A 47 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.939) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -1.8! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -3.61! C(o=-3.6!,f=-4.3!) USER MOD Single : A 49 TYR OH : rot 173:sc= 0.0621 USER MOD Single : A 50 ASN :FLIP amide:sc= -2.06 F(o=-2.8!,f=-2.1) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.41 F(o=-2.5!,f=-1.4) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 TYR OH : rot 180:sc= -0.326 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 18 17.341 1.507 -0.946 1.00 0.00 N ATOM 2 CA CYS A 18 16.325 0.716 -1.640 1.00 0.00 C ATOM 3 C CYS A 18 16.710 -0.735 -1.523 1.00 0.00 C ATOM 4 O CYS A 18 17.861 -1.110 -1.792 1.00 0.00 O ATOM 5 CB CYS A 18 16.183 1.041 -3.142 1.00 0.00 C ATOM 6 SG CYS A 18 16.219 2.816 -3.566 1.00 0.00 S ATOM 0 HA CYS A 18 15.370 0.952 -1.171 1.00 0.00 H new ATOM 0 HB2 CYS A 18 16.986 0.539 -3.682 1.00 0.00 H new ATOM 0 HB3 CYS A 18 15.245 0.618 -3.501 1.00 0.00 H new ATOM 11 N GLN A 19 15.756 -1.543 -1.117 1.00 0.00 N ATOM 12 CA GLN A 19 15.961 -2.963 -0.989 1.00 0.00 C ATOM 13 C GLN A 19 14.800 -3.698 -1.652 1.00 0.00 C ATOM 14 O GLN A 19 13.670 -3.715 -1.154 1.00 0.00 O ATOM 15 CB GLN A 19 16.181 -3.336 0.499 1.00 0.00 C ATOM 16 CG GLN A 19 15.283 -2.612 1.510 1.00 0.00 C ATOM 17 CD GLN A 19 14.141 -3.470 2.015 1.00 0.00 C ATOM 18 OE1 GLN A 19 12.974 -3.322 1.409 1.00 0.00 O flip ATOM 19 NE2 GLN A 19 14.304 -4.247 2.957 1.00 0.00 N flip ATOM 0 H GLN A 19 14.818 -1.231 -0.867 1.00 0.00 H new ATOM 0 HA GLN A 19 16.867 -3.276 -1.508 1.00 0.00 H new ATOM 0 HB2 GLN A 19 16.029 -4.410 0.611 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.221 -3.133 0.755 1.00 0.00 H new ATOM 0 HG2 GLN A 19 15.888 -2.288 2.357 1.00 0.00 H new ATOM 0 HG3 GLN A 19 14.876 -1.713 1.047 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.221 -4.331 3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.522 -4.807 3.298 1.00 0.00 H new ATOM 28 N LEU A 20 15.113 -4.280 -2.813 1.00 0.00 N ATOM 29 CA LEU A 20 14.151 -5.024 -3.620 1.00 0.00 C ATOM 30 C LEU A 20 14.005 -6.475 -3.160 1.00 0.00 C ATOM 31 O LEU A 20 14.830 -7.350 -3.458 1.00 0.00 O ATOM 32 CB LEU A 20 14.519 -4.942 -5.134 1.00 0.00 C ATOM 33 CG LEU A 20 13.490 -5.489 -6.182 1.00 0.00 C ATOM 34 CD1 LEU A 20 13.623 -7.001 -6.356 1.00 0.00 C ATOM 35 CD2 LEU A 20 12.045 -5.132 -5.818 1.00 0.00 C ATOM 0 H LEU A 20 16.048 -4.246 -3.219 1.00 0.00 H new ATOM 0 HA LEU A 20 13.178 -4.554 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.712 -3.896 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.456 -5.479 -5.277 1.00 0.00 H new ATOM 0 HG LEU A 20 13.728 -5.002 -7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 20 12.895 -7.348 -7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.629 -7.240 -6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 20 13.440 -7.495 -5.402 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.370 -5.533 -6.574 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.798 -5.561 -4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.938 -4.048 -5.774 1.00 0.00 H new ATOM 47 N PHE A 21 12.943 -6.672 -2.401 1.00 0.00 N ATOM 48 CA PHE A 21 12.530 -7.971 -1.893 1.00 0.00 C ATOM 49 C PHE A 21 11.005 -8.068 -2.015 1.00 0.00 C ATOM 50 O PHE A 21 10.267 -7.533 -1.175 1.00 0.00 O ATOM 51 CB PHE A 21 12.969 -8.154 -0.437 1.00 0.00 C ATOM 52 CG PHE A 21 14.453 -8.358 -0.244 1.00 0.00 C ATOM 53 CD1 PHE A 21 15.292 -7.273 -0.051 1.00 0.00 C ATOM 54 CD2 PHE A 21 15.003 -9.633 -0.247 1.00 0.00 C ATOM 55 CE1 PHE A 21 16.649 -7.451 0.133 1.00 0.00 C ATOM 56 CE2 PHE A 21 16.359 -9.817 -0.060 1.00 0.00 C ATOM 57 CZ PHE A 21 17.184 -8.725 0.128 1.00 0.00 C ATOM 0 H PHE A 21 12.326 -5.913 -2.112 1.00 0.00 H new ATOM 0 HA PHE A 21 13.003 -8.762 -2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 21 12.660 -7.279 0.134 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.441 -9.011 -0.018 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.880 -6.275 -0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 21 14.363 -10.490 -0.397 1.00 0.00 H new ATOM 0 HE1 PHE A 21 17.291 -6.595 0.281 1.00 0.00 H new ATOM 0 HE2 PHE A 21 16.774 -10.814 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 21 18.245 -8.867 0.271 1.00 0.00 H new ATOM 67 N CYS A 22 10.541 -8.725 -3.086 1.00 0.00 N ATOM 68 CA CYS A 22 9.107 -8.853 -3.352 1.00 0.00 C ATOM 69 C CYS A 22 8.541 -10.254 -3.031 1.00 0.00 C ATOM 70 O CYS A 22 8.676 -11.183 -3.840 1.00 0.00 O ATOM 71 CB CYS A 22 8.806 -8.475 -4.808 1.00 0.00 C ATOM 72 SG CYS A 22 8.358 -6.721 -5.068 1.00 0.00 S ATOM 0 H CYS A 22 11.139 -9.174 -3.780 1.00 0.00 H new ATOM 0 HA CYS A 22 8.604 -8.161 -2.676 1.00 0.00 H new ATOM 0 HB2 CYS A 22 9.680 -8.706 -5.417 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.991 -9.101 -5.170 1.00 0.00 H new ATOM 77 N PRO A 23 7.921 -10.440 -1.815 1.00 0.00 N ATOM 78 CA PRO A 23 7.277 -11.710 -1.435 1.00 0.00 C ATOM 79 C PRO A 23 5.815 -11.777 -1.950 1.00 0.00 C ATOM 80 O PRO A 23 5.282 -10.756 -2.403 1.00 0.00 O ATOM 81 CB PRO A 23 7.345 -11.703 0.103 1.00 0.00 C ATOM 82 CG PRO A 23 7.633 -10.287 0.530 1.00 0.00 C ATOM 83 CD PRO A 23 7.826 -9.449 -0.714 1.00 0.00 C ATOM 0 HA PRO A 23 7.766 -12.582 -1.869 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.405 -12.050 0.531 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.125 -12.378 0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.810 -9.895 1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 23 8.526 -10.252 1.154 1.00 0.00 H new ATOM 0 HD2 PRO A 23 6.991 -8.765 -0.866 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.728 -8.841 -0.648 1.00 0.00 H new ATOM 91 N MET A 24 5.173 -12.956 -1.881 1.00 0.00 N ATOM 92 CA MET A 24 3.795 -13.091 -2.379 1.00 0.00 C ATOM 93 C MET A 24 2.765 -13.228 -1.245 1.00 0.00 C ATOM 94 O MET A 24 2.481 -14.336 -0.764 1.00 0.00 O ATOM 95 CB MET A 24 3.694 -14.277 -3.356 1.00 0.00 C ATOM 96 CG MET A 24 4.245 -13.986 -4.744 1.00 0.00 C ATOM 97 SD MET A 24 4.146 -15.410 -5.846 1.00 0.00 S ATOM 98 CE MET A 24 4.903 -14.744 -7.327 1.00 0.00 C ATOM 0 H MET A 24 5.575 -13.810 -1.495 1.00 0.00 H new ATOM 0 HA MET A 24 3.553 -12.170 -2.909 1.00 0.00 H new ATOM 0 HB2 MET A 24 4.230 -15.128 -2.935 1.00 0.00 H new ATOM 0 HB3 MET A 24 2.649 -14.572 -3.446 1.00 0.00 H new ATOM 0 HG2 MET A 24 3.694 -13.154 -5.182 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.285 -13.670 -4.659 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.916 -15.508 -8.104 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.330 -13.884 -7.673 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.924 -14.434 -7.106 1.00 0.00 H new ATOM 108 N ILE A 25 2.228 -12.070 -0.809 1.00 0.00 N ATOM 109 CA ILE A 25 1.180 -11.986 0.238 1.00 0.00 C ATOM 110 C ILE A 25 0.337 -10.731 -0.042 1.00 0.00 C ATOM 111 O ILE A 25 0.850 -9.757 -0.606 1.00 0.00 O ATOM 112 CB ILE A 25 1.732 -11.912 1.723 1.00 0.00 C ATOM 113 CG1 ILE A 25 2.827 -12.952 2.011 1.00 0.00 C ATOM 114 CG2 ILE A 25 0.611 -12.108 2.749 1.00 0.00 C ATOM 115 CD1 ILE A 25 4.228 -12.413 1.852 1.00 0.00 C ATOM 0 H ILE A 25 2.509 -11.160 -1.173 1.00 0.00 H new ATOM 0 HA ILE A 25 0.601 -12.908 0.182 1.00 0.00 H new ATOM 0 HB ILE A 25 2.162 -10.915 1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.703 -13.326 3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.695 -13.802 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.025 -12.051 3.756 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.140 -11.328 2.621 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.149 -13.084 2.601 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.948 -13.201 2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.370 -12.066 0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.379 -11.582 2.541 1.00 0.00 H new ATOM 127 N TYR A 26 -0.949 -10.758 0.337 1.00 0.00 N ATOM 128 CA TYR A 26 -1.818 -9.599 0.146 1.00 0.00 C ATOM 129 C TYR A 26 -2.084 -8.919 1.484 1.00 0.00 C ATOM 130 O TYR A 26 -2.926 -9.341 2.289 1.00 0.00 O ATOM 131 CB TYR A 26 -3.110 -10.006 -0.574 1.00 0.00 C ATOM 132 CG TYR A 26 -3.984 -8.854 -1.052 1.00 0.00 C ATOM 133 CD1 TYR A 26 -3.799 -8.288 -2.311 1.00 0.00 C ATOM 134 CD2 TYR A 26 -4.997 -8.342 -0.248 1.00 0.00 C ATOM 135 CE1 TYR A 26 -4.594 -7.247 -2.750 1.00 0.00 C ATOM 136 CE2 TYR A 26 -5.797 -7.301 -0.681 1.00 0.00 C ATOM 137 CZ TYR A 26 -5.592 -6.758 -1.933 1.00 0.00 C ATOM 138 OH TYR A 26 -6.385 -5.722 -2.368 1.00 0.00 O ATOM 0 H TYR A 26 -1.402 -11.562 0.772 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.317 -8.872 -0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.848 -10.621 -1.434 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.698 -10.631 0.098 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.021 -8.669 -2.955 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.161 -8.765 0.732 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.435 -6.818 -3.728 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.578 -6.915 -0.043 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.040 -5.497 -1.674 1.00 0.00 H new ATOM 148 N ALA A 27 -1.304 -7.868 1.690 1.00 0.00 N ATOM 149 CA ALA A 27 -1.354 -7.041 2.899 1.00 0.00 C ATOM 150 C ALA A 27 -1.382 -5.542 2.539 1.00 0.00 C ATOM 151 O ALA A 27 -0.483 -5.082 1.826 1.00 0.00 O ATOM 152 CB ALA A 27 -0.161 -7.347 3.807 1.00 0.00 C ATOM 0 H ALA A 27 -0.606 -7.556 1.015 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.272 -7.281 3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.214 -6.724 4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.184 -8.398 4.096 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.766 -7.137 3.273 1.00 0.00 H new ATOM 158 N PRO A 28 -2.414 -4.745 2.984 1.00 0.00 N ATOM 159 CA PRO A 28 -2.466 -3.295 2.699 1.00 0.00 C ATOM 160 C PRO A 28 -1.648 -2.455 3.699 1.00 0.00 C ATOM 161 O PRO A 28 -1.740 -2.667 4.915 1.00 0.00 O ATOM 162 CB PRO A 28 -3.965 -2.948 2.816 1.00 0.00 C ATOM 163 CG PRO A 28 -4.673 -4.221 3.188 1.00 0.00 C ATOM 164 CD PRO A 28 -3.628 -5.164 3.722 1.00 0.00 C ATOM 0 HA PRO A 28 -2.035 -3.071 1.723 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.127 -2.180 3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.346 -2.554 1.874 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.441 -4.031 3.938 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.174 -4.651 2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.503 -5.063 4.800 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.883 -6.206 3.527 1.00 0.00 H new ATOM 172 N ILE A 29 -0.846 -1.519 3.171 1.00 0.00 N ATOM 173 CA ILE A 29 -0.018 -0.634 4.013 1.00 0.00 C ATOM 174 C ILE A 29 -0.342 0.844 3.739 1.00 0.00 C ATOM 175 O ILE A 29 -0.533 1.238 2.583 1.00 0.00 O ATOM 176 CB ILE A 29 1.511 -0.910 3.776 1.00 0.00 C ATOM 177 CG1 ILE A 29 1.886 -2.353 4.153 1.00 0.00 C ATOM 178 CG2 ILE A 29 2.410 0.062 4.549 1.00 0.00 C ATOM 179 CD1 ILE A 29 1.773 -3.329 3.007 1.00 0.00 C ATOM 0 H ILE A 29 -0.751 -1.353 2.169 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.251 -0.849 5.056 1.00 0.00 H new ATOM 0 HB ILE A 29 1.680 -0.758 2.710 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.908 -2.366 4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.242 -2.686 4.967 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.456 -0.173 4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.200 1.083 4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.214 -0.032 5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.053 -4.325 3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.746 -3.346 2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.438 -3.022 2.200 1.00 0.00 H new ATOM 191 N CYS A 30 -0.398 1.647 4.826 1.00 0.00 N ATOM 192 CA CYS A 30 -0.691 3.085 4.729 1.00 0.00 C ATOM 193 C CYS A 30 0.594 3.915 4.863 1.00 0.00 C ATOM 194 O CYS A 30 1.420 3.660 5.745 1.00 0.00 O ATOM 195 CB CYS A 30 -1.707 3.479 5.809 1.00 0.00 C ATOM 196 SG CYS A 30 -3.085 4.505 5.207 1.00 0.00 S ATOM 0 H CYS A 30 -0.243 1.318 5.779 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.119 3.292 3.748 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.114 2.572 6.256 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.187 4.019 6.600 1.00 0.00 H new ATOM 201 N ALA A 31 0.742 4.908 3.965 1.00 0.00 N ATOM 202 CA ALA A 31 1.904 5.800 3.912 1.00 0.00 C ATOM 203 C ALA A 31 1.458 7.234 3.634 1.00 0.00 C ATOM 204 O ALA A 31 0.482 7.452 2.906 1.00 0.00 O ATOM 205 CB ALA A 31 2.875 5.337 2.829 1.00 0.00 C ATOM 0 H ALA A 31 0.045 5.111 3.248 1.00 0.00 H new ATOM 0 HA ALA A 31 2.410 5.769 4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.734 6.008 2.799 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.212 4.325 3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.373 5.348 1.862 1.00 0.00 H new ATOM 211 N THR A 32 2.176 8.206 4.208 1.00 0.00 N ATOM 212 CA THR A 32 1.850 9.622 4.019 1.00 0.00 C ATOM 213 C THR A 32 3.060 10.426 3.545 1.00 0.00 C ATOM 214 O THR A 32 4.174 10.250 4.048 1.00 0.00 O ATOM 215 CB THR A 32 1.264 10.284 5.312 1.00 0.00 C ATOM 216 OG1 THR A 32 0.862 11.634 5.036 1.00 0.00 O ATOM 217 CG2 THR A 32 2.255 10.298 6.483 1.00 0.00 C ATOM 0 H THR A 32 2.985 8.037 4.806 1.00 0.00 H new ATOM 0 HA THR A 32 1.082 9.643 3.246 1.00 0.00 H new ATOM 0 HB THR A 32 0.409 9.675 5.606 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.107 11.664 4.890 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.789 10.769 7.348 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.536 9.275 6.734 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.145 10.859 6.200 1.00 0.00 H new ATOM 225 N ASP A 33 2.814 11.288 2.566 1.00 0.00 N ATOM 226 CA ASP A 33 3.851 12.194 2.049 1.00 0.00 C ATOM 227 C ASP A 33 3.421 13.662 2.243 1.00 0.00 C ATOM 228 O ASP A 33 3.742 14.542 1.429 1.00 0.00 O ATOM 229 CB ASP A 33 4.210 11.873 0.577 1.00 0.00 C ATOM 230 CG ASP A 33 3.036 11.827 -0.392 1.00 0.00 C ATOM 231 OD1 ASP A 33 2.090 11.045 -0.152 1.00 0.00 O ATOM 232 OD2 ASP A 33 3.074 12.566 -1.398 1.00 0.00 O ATOM 0 H ASP A 33 1.907 11.384 2.109 1.00 0.00 H new ATOM 0 HA ASP A 33 4.764 12.038 2.623 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.920 12.621 0.224 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.720 10.910 0.548 1.00 0.00 H new ATOM 237 N GLY A 34 2.708 13.908 3.359 1.00 0.00 N ATOM 238 CA GLY A 34 2.198 15.250 3.676 1.00 0.00 C ATOM 239 C GLY A 34 0.768 15.444 3.185 1.00 0.00 C ATOM 240 O GLY A 34 -0.025 16.166 3.797 1.00 0.00 O ATOM 0 H GLY A 34 2.474 13.196 4.051 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.237 15.408 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.844 16.001 3.220 1.00 0.00 H new ATOM 244 N VAL A 35 0.475 14.780 2.062 1.00 0.00 N ATOM 245 CA VAL A 35 -0.829 14.768 1.399 1.00 0.00 C ATOM 246 C VAL A 35 -1.638 13.563 1.903 1.00 0.00 C ATOM 247 O VAL A 35 -1.084 12.730 2.632 1.00 0.00 O ATOM 248 CB VAL A 35 -0.718 14.745 -0.153 1.00 0.00 C ATOM 249 CG1 VAL A 35 -0.394 16.130 -0.696 1.00 0.00 C ATOM 250 CG2 VAL A 35 0.298 13.725 -0.659 1.00 0.00 C ATOM 0 H VAL A 35 1.169 14.215 1.572 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.341 15.696 1.653 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.694 14.435 -0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.322 16.087 -1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.183 16.826 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.555 16.470 -0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.332 13.754 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.283 13.964 -0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.006 12.727 -0.332 1.00 0.00 H new ATOM 260 N SER A 36 -2.943 13.473 1.547 1.00 0.00 N ATOM 261 CA SER A 36 -3.796 12.358 2.002 1.00 0.00 C ATOM 262 C SER A 36 -3.103 11.022 1.692 1.00 0.00 C ATOM 263 O SER A 36 -2.393 10.890 0.688 1.00 0.00 O ATOM 264 CB SER A 36 -5.166 12.424 1.314 1.00 0.00 C ATOM 265 OG SER A 36 -6.085 11.510 1.896 1.00 0.00 O ATOM 0 H SER A 36 -3.419 14.152 0.953 1.00 0.00 H new ATOM 0 HA SER A 36 -3.949 12.438 3.078 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.563 13.437 1.387 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.053 12.202 0.253 1.00 0.00 H new ATOM 0 HG SER A 36 -6.948 11.577 1.437 1.00 0.00 H new ATOM 271 N GLN A 37 -3.344 10.039 2.562 1.00 0.00 N ATOM 272 CA GLN A 37 -2.651 8.744 2.517 1.00 0.00 C ATOM 273 C GLN A 37 -3.149 7.788 1.450 1.00 0.00 C ATOM 274 O GLN A 37 -4.343 7.725 1.137 1.00 0.00 O ATOM 275 CB GLN A 37 -2.753 8.060 3.886 1.00 0.00 C ATOM 276 CG GLN A 37 -1.792 8.611 4.939 1.00 0.00 C ATOM 277 CD GLN A 37 -2.209 9.970 5.493 1.00 0.00 C ATOM 278 OE1 GLN A 37 -1.818 11.035 4.797 1.00 0.00 O flip ATOM 279 NE2 GLN A 37 -2.881 10.056 6.521 1.00 0.00 N flip ATOM 0 H GLN A 37 -4.024 10.115 3.318 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.619 8.976 2.255 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.774 8.162 4.254 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.564 6.994 3.761 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.720 7.899 5.761 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.797 8.696 4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.158 9.211 7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.161 10.972 6.872 1.00 0.00 H new ATOM 288 N ARG A 38 -2.176 7.054 0.908 1.00 0.00 N ATOM 289 CA ARG A 38 -2.407 6.055 -0.124 1.00 0.00 C ATOM 290 C ARG A 38 -2.133 4.654 0.437 1.00 0.00 C ATOM 291 O ARG A 38 -1.345 4.492 1.376 1.00 0.00 O ATOM 292 CB ARG A 38 -1.504 6.344 -1.333 1.00 0.00 C ATOM 293 CG ARG A 38 -2.021 5.771 -2.645 1.00 0.00 C ATOM 294 CD ARG A 38 -0.998 5.924 -3.761 1.00 0.00 C ATOM 295 NE ARG A 38 -1.484 5.362 -5.029 1.00 0.00 N ATOM 296 CZ ARG A 38 -0.730 5.161 -6.122 1.00 0.00 C ATOM 297 NH1 ARG A 38 0.568 5.468 -6.140 1.00 0.00 N ATOM 298 NH2 ARG A 38 -1.287 4.644 -7.210 1.00 0.00 N ATOM 0 H ARG A 38 -1.197 7.141 1.179 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.447 6.098 -0.448 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.391 7.423 -1.439 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.512 5.938 -1.137 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.262 4.716 -2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.945 6.277 -2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.764 6.980 -3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.071 5.427 -3.475 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.470 5.105 -5.083 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.010 5.865 -5.311 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.119 5.306 -6.983 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.278 4.404 -7.210 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.724 4.487 -8.046 1.00 0.00 H new ATOM 312 N THR A 39 -2.788 3.655 -0.158 1.00 0.00 N ATOM 313 CA THR A 39 -2.637 2.262 0.269 1.00 0.00 C ATOM 314 C THR A 39 -1.952 1.432 -0.819 1.00 0.00 C ATOM 315 O THR A 39 -2.367 1.456 -1.984 1.00 0.00 O ATOM 316 CB THR A 39 -4.001 1.609 0.626 1.00 0.00 C ATOM 317 OG1 THR A 39 -4.992 2.612 0.897 1.00 0.00 O ATOM 318 CG2 THR A 39 -3.873 0.698 1.844 1.00 0.00 C ATOM 0 H THR A 39 -3.430 3.785 -0.940 1.00 0.00 H new ATOM 0 HA THR A 39 -2.018 2.276 1.166 1.00 0.00 H new ATOM 0 HB THR A 39 -4.310 1.016 -0.235 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.843 2.180 1.118 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.843 0.255 2.071 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.153 -0.093 1.633 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.531 1.280 2.700 1.00 0.00 H new ATOM 326 N PHE A 40 -0.898 0.709 -0.417 1.00 0.00 N ATOM 327 CA PHE A 40 -0.133 -0.154 -1.328 1.00 0.00 C ATOM 328 C PHE A 40 -0.528 -1.625 -1.132 1.00 0.00 C ATOM 329 O PHE A 40 -1.193 -1.971 -0.147 1.00 0.00 O ATOM 330 CB PHE A 40 1.386 0.017 -1.094 1.00 0.00 C ATOM 331 CG PHE A 40 1.943 1.387 -1.436 1.00 0.00 C ATOM 332 CD1 PHE A 40 1.704 2.486 -0.616 1.00 0.00 C ATOM 333 CD2 PHE A 40 2.720 1.566 -2.572 1.00 0.00 C ATOM 334 CE1 PHE A 40 2.228 3.728 -0.926 1.00 0.00 C ATOM 335 CE2 PHE A 40 3.244 2.808 -2.886 1.00 0.00 C ATOM 336 CZ PHE A 40 2.997 3.889 -2.062 1.00 0.00 C ATOM 0 H PHE A 40 -0.553 0.705 0.543 1.00 0.00 H new ATOM 0 HA PHE A 40 -0.366 0.142 -2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.602 -0.194 -0.047 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.915 -0.730 -1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.102 2.368 0.273 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.918 0.725 -3.220 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.036 4.572 -0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.845 2.932 -3.774 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.405 4.859 -2.306 1.00 0.00 H new ATOM 346 N SER A 41 -0.110 -2.484 -2.077 1.00 0.00 N ATOM 347 CA SER A 41 -0.406 -3.922 -2.028 1.00 0.00 C ATOM 348 C SER A 41 0.577 -4.683 -1.117 1.00 0.00 C ATOM 349 O SER A 41 0.257 -5.780 -0.645 1.00 0.00 O ATOM 350 CB SER A 41 -0.368 -4.509 -3.444 1.00 0.00 C ATOM 351 OG SER A 41 -0.964 -5.798 -3.488 1.00 0.00 O ATOM 0 H SER A 41 0.438 -2.202 -2.890 1.00 0.00 H new ATOM 0 HA SER A 41 -1.404 -4.040 -1.606 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.890 -3.842 -4.130 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.665 -4.573 -3.785 1.00 0.00 H new ATOM 0 HG SER A 41 -0.926 -6.145 -4.404 1.00 0.00 H new ATOM 357 N ASN A 42 1.768 -4.082 -0.874 1.00 0.00 N ATOM 358 CA ASN A 42 2.829 -4.682 -0.024 1.00 0.00 C ATOM 359 C ASN A 42 4.020 -3.691 0.122 1.00 0.00 C ATOM 360 O ASN A 42 4.145 -2.783 -0.704 1.00 0.00 O ATOM 361 CB ASN A 42 3.330 -6.032 -0.620 1.00 0.00 C ATOM 362 CG ASN A 42 3.364 -7.164 0.392 1.00 0.00 C ATOM 363 OD1 ASN A 42 4.425 -7.524 0.903 1.00 0.00 O ATOM 364 ND2 ASN A 42 2.202 -7.736 0.687 1.00 0.00 N ATOM 0 H ASN A 42 2.020 -3.172 -1.259 1.00 0.00 H new ATOM 0 HA ASN A 42 2.403 -4.881 0.959 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.683 -6.316 -1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 42 4.330 -5.891 -1.029 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.167 -8.503 1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.345 -7.408 0.242 1.00 0.00 H new ATOM 371 N PRO A 43 4.925 -3.822 1.171 1.00 0.00 N ATOM 372 CA PRO A 43 6.087 -2.901 1.356 1.00 0.00 C ATOM 373 C PRO A 43 7.077 -2.845 0.172 1.00 0.00 C ATOM 374 O PRO A 43 7.711 -1.806 -0.045 1.00 0.00 O ATOM 375 CB PRO A 43 6.801 -3.454 2.607 1.00 0.00 C ATOM 376 CG PRO A 43 6.297 -4.850 2.763 1.00 0.00 C ATOM 377 CD PRO A 43 4.882 -4.818 2.274 1.00 0.00 C ATOM 0 HA PRO A 43 5.730 -1.875 1.443 1.00 0.00 H new ATOM 0 HB2 PRO A 43 7.884 -3.438 2.481 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.574 -2.853 3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.897 -5.552 2.184 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.346 -5.172 3.803 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.556 -5.796 1.920 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.191 -4.517 3.061 1.00 0.00 H new ATOM 385 N CYS A 44 7.193 -3.952 -0.596 1.00 0.00 N ATOM 386 CA CYS A 44 8.120 -4.028 -1.750 1.00 0.00 C ATOM 387 C CYS A 44 7.751 -3.032 -2.864 1.00 0.00 C ATOM 388 O CYS A 44 8.630 -2.341 -3.391 1.00 0.00 O ATOM 389 CB CYS A 44 8.170 -5.458 -2.307 1.00 0.00 C ATOM 390 SG CYS A 44 9.389 -5.695 -3.647 1.00 0.00 S ATOM 0 H CYS A 44 6.657 -4.805 -0.438 1.00 0.00 H new ATOM 0 HA CYS A 44 9.109 -3.751 -1.384 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.402 -6.145 -1.493 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.181 -5.726 -2.679 1.00 0.00 H new ATOM 395 N ASP A 45 6.452 -2.970 -3.217 1.00 0.00 N ATOM 396 CA ASP A 45 5.951 -2.042 -4.251 1.00 0.00 C ATOM 397 C ASP A 45 5.988 -0.578 -3.764 1.00 0.00 C ATOM 398 O ASP A 45 6.031 0.350 -4.579 1.00 0.00 O ATOM 399 CB ASP A 45 4.535 -2.433 -4.743 1.00 0.00 C ATOM 400 CG ASP A 45 3.525 -2.691 -3.629 1.00 0.00 C ATOM 401 OD1 ASP A 45 3.482 -3.831 -3.124 1.00 0.00 O ATOM 402 OD2 ASP A 45 2.784 -1.753 -3.271 1.00 0.00 O ATOM 0 H ASP A 45 5.728 -3.554 -2.799 1.00 0.00 H new ATOM 0 HA ASP A 45 6.624 -2.125 -5.104 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.155 -1.637 -5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.613 -3.329 -5.359 1.00 0.00 H new ATOM 407 N LEU A 46 5.965 -0.395 -2.424 1.00 0.00 N ATOM 408 CA LEU A 46 6.006 0.916 -1.792 1.00 0.00 C ATOM 409 C LEU A 46 7.421 1.518 -1.819 1.00 0.00 C ATOM 410 O LEU A 46 7.616 2.623 -2.316 1.00 0.00 O ATOM 411 CB LEU A 46 5.546 0.742 -0.325 1.00 0.00 C ATOM 412 CG LEU A 46 5.605 1.998 0.543 1.00 0.00 C ATOM 413 CD1 LEU A 46 4.428 2.062 1.490 1.00 0.00 C ATOM 414 CD2 LEU A 46 6.910 2.077 1.333 1.00 0.00 C ATOM 0 H LEU A 46 5.917 -1.167 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 46 5.353 1.598 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.521 0.372 -0.327 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.162 -0.028 0.140 1.00 0.00 H new ATOM 0 HG LEU A 46 5.561 2.852 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.496 2.966 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.501 2.078 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.437 1.188 2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.915 2.984 1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.995 1.206 1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.753 2.098 0.642 1.00 0.00 H new ATOM 426 N LYS A 47 8.388 0.745 -1.298 1.00 0.00 N ATOM 427 CA LYS A 47 9.801 1.138 -1.208 1.00 0.00 C ATOM 428 C LYS A 47 10.422 1.447 -2.576 1.00 0.00 C ATOM 429 O LYS A 47 11.283 2.323 -2.696 1.00 0.00 O ATOM 430 CB LYS A 47 10.578 0.026 -0.511 1.00 0.00 C ATOM 431 CG LYS A 47 10.404 0.020 0.999 1.00 0.00 C ATOM 432 CD LYS A 47 10.336 -1.396 1.543 1.00 0.00 C ATOM 433 CE LYS A 47 10.465 -1.422 3.056 1.00 0.00 C ATOM 434 NZ LYS A 47 10.384 -2.806 3.599 1.00 0.00 N ATOM 0 H LYS A 47 8.205 -0.185 -0.922 1.00 0.00 H new ATOM 0 HA LYS A 47 9.856 2.062 -0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.257 -0.936 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.637 0.131 -0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.234 0.551 1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.493 0.557 1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.391 -1.854 1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.131 -1.995 1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.415 -0.974 3.347 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.677 -0.813 3.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.743 -2.821 4.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.022 -3.447 2.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.331 -3.119 3.895 1.00 0.00 H new ATOM 448 N VAL A 48 9.968 0.705 -3.593 1.00 0.00 N ATOM 449 CA VAL A 48 10.421 0.863 -4.985 1.00 0.00 C ATOM 450 C VAL A 48 9.904 2.181 -5.595 1.00 0.00 C ATOM 451 O VAL A 48 10.607 2.840 -6.360 1.00 0.00 O ATOM 452 CB VAL A 48 9.973 -0.382 -5.820 1.00 0.00 C ATOM 453 CG1 VAL A 48 8.536 -0.296 -6.348 1.00 0.00 C ATOM 454 CG2 VAL A 48 10.955 -0.683 -6.948 1.00 0.00 C ATOM 0 H VAL A 48 9.270 -0.029 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 48 11.509 0.919 -5.004 1.00 0.00 H new ATOM 0 HB VAL A 48 9.982 -1.216 -5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.303 -1.197 -6.916 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.845 -0.206 -5.510 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.437 0.576 -6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.612 -1.554 -7.507 1.00 0.00 H new ATOM 0 HG22 VAL A 48 11.016 0.176 -7.616 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.940 -0.887 -6.528 1.00 0.00 H new ATOM 464 N TYR A 49 8.676 2.538 -5.197 1.00 0.00 N ATOM 465 CA TYR A 49 7.974 3.754 -5.664 1.00 0.00 C ATOM 466 C TYR A 49 8.797 5.037 -5.427 1.00 0.00 C ATOM 467 O TYR A 49 8.990 5.824 -6.343 1.00 0.00 O ATOM 468 CB TYR A 49 6.609 3.860 -4.956 1.00 0.00 C ATOM 469 CG TYR A 49 5.541 4.601 -5.748 1.00 0.00 C ATOM 470 CD1 TYR A 49 5.418 5.985 -5.668 1.00 0.00 C ATOM 471 CD2 TYR A 49 4.657 3.912 -6.571 1.00 0.00 C ATOM 472 CE1 TYR A 49 4.447 6.658 -6.387 1.00 0.00 C ATOM 473 CE2 TYR A 49 3.685 4.580 -7.291 1.00 0.00 C ATOM 474 CZ TYR A 49 3.584 5.950 -7.195 1.00 0.00 C ATOM 475 OH TYR A 49 2.670 6.594 -7.971 1.00 0.00 O ATOM 0 H TYR A 49 8.130 1.988 -4.534 1.00 0.00 H new ATOM 0 HA TYR A 49 7.832 3.663 -6.741 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.249 2.855 -4.737 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.749 4.364 -4.000 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.092 6.542 -5.034 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.731 2.837 -6.649 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.366 7.733 -6.316 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.007 4.030 -7.927 1.00 0.00 H new ATOM 0 HH TYR A 49 2.229 5.948 -8.561 1.00 0.00 H new ATOM 485 N ASN A 50 9.293 5.199 -4.196 1.00 0.00 N ATOM 486 CA ASN A 50 10.101 6.370 -3.778 1.00 0.00 C ATOM 487 C ASN A 50 11.524 6.346 -4.343 1.00 0.00 C ATOM 488 O ASN A 50 12.116 7.400 -4.599 1.00 0.00 O ATOM 489 CB ASN A 50 10.162 6.462 -2.239 1.00 0.00 C ATOM 490 CG ASN A 50 10.074 5.117 -1.548 1.00 0.00 C ATOM 491 OD1 ASN A 50 8.852 4.645 -1.376 1.00 0.00 O flip ATOM 492 ND2 ASN A 50 11.085 4.519 -1.182 1.00 0.00 N flip ATOM 0 H ASN A 50 9.149 4.520 -3.449 1.00 0.00 H new ATOM 0 HA ASN A 50 9.602 7.249 -4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.092 6.950 -1.949 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.347 7.095 -1.888 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.005 4.929 -1.340 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.003 3.613 -0.721 1.00 0.00 H new ATOM 499 N CYS A 51 12.048 5.128 -4.524 1.00 0.00 N ATOM 500 CA CYS A 51 13.410 4.883 -5.032 1.00 0.00 C ATOM 501 C CYS A 51 13.686 5.542 -6.398 1.00 0.00 C ATOM 502 O CYS A 51 14.674 6.271 -6.539 1.00 0.00 O ATOM 503 CB CYS A 51 13.653 3.373 -5.117 1.00 0.00 C ATOM 504 SG CYS A 51 15.388 2.892 -5.420 1.00 0.00 S ATOM 0 H CYS A 51 11.534 4.271 -4.320 1.00 0.00 H new ATOM 0 HA CYS A 51 14.102 5.346 -4.328 1.00 0.00 H new ATOM 0 HB2 CYS A 51 13.320 2.913 -4.187 1.00 0.00 H new ATOM 0 HB3 CYS A 51 13.033 2.964 -5.914 1.00 0.00 H new ATOM 509 N TRP A 52 12.817 5.280 -7.384 1.00 0.00 N ATOM 510 CA TRP A 52 12.988 5.845 -8.733 1.00 0.00 C ATOM 511 C TRP A 52 12.105 7.077 -9.019 1.00 0.00 C ATOM 512 O TRP A 52 12.318 7.782 -10.012 1.00 0.00 O ATOM 513 CB TRP A 52 12.862 4.749 -9.794 1.00 0.00 C ATOM 514 CG TRP A 52 11.588 3.954 -9.847 1.00 0.00 C ATOM 515 CD1 TRP A 52 11.294 2.809 -9.170 1.00 0.00 C ATOM 516 CD2 TRP A 52 10.476 4.223 -10.685 1.00 0.00 C ATOM 517 NE1 TRP A 52 10.047 2.354 -9.536 1.00 0.00 N ATOM 518 CE2 TRP A 52 9.524 3.214 -10.470 1.00 0.00 C ATOM 519 CE3 TRP A 52 10.199 5.240 -11.589 1.00 0.00 C ATOM 520 CZ2 TRP A 52 8.305 3.190 -11.144 1.00 0.00 C ATOM 521 CZ3 TRP A 52 8.991 5.226 -12.257 1.00 0.00 C ATOM 522 CH2 TRP A 52 8.056 4.201 -12.035 1.00 0.00 C ATOM 0 H TRP A 52 11.995 4.686 -7.276 1.00 0.00 H new ATOM 0 HA TRP A 52 14.002 6.241 -8.782 1.00 0.00 H new ATOM 0 HB2 TRP A 52 13.006 5.213 -10.770 1.00 0.00 H new ATOM 0 HB3 TRP A 52 13.685 4.049 -9.649 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.943 2.329 -8.452 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.588 1.518 -9.174 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.916 6.028 -11.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 7.584 2.405 -10.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.762 6.013 -12.960 1.00 0.00 H new ATOM 0 HH2 TRP A 52 7.122 4.210 -12.578 1.00 0.00 H new ATOM 533 N ASN A 53 11.123 7.305 -8.150 1.00 0.00 N ATOM 534 CA ASN A 53 10.225 8.470 -8.224 1.00 0.00 C ATOM 535 C ASN A 53 10.622 9.519 -7.156 1.00 0.00 C ATOM 536 O ASN A 53 10.137 9.459 -6.015 1.00 0.00 O ATOM 537 CB ASN A 53 8.755 8.066 -8.018 1.00 0.00 C ATOM 538 CG ASN A 53 8.211 7.150 -9.094 1.00 0.00 C ATOM 539 OD1 ASN A 53 8.758 5.949 -9.170 1.00 0.00 O flip ATOM 540 ND2 ASN A 53 7.318 7.525 -9.853 1.00 0.00 N flip ATOM 0 H ASN A 53 10.921 6.685 -7.366 1.00 0.00 H new ATOM 0 HA ASN A 53 10.327 8.899 -9.221 1.00 0.00 H new ATOM 0 HB2 ASN A 53 8.657 7.572 -7.051 1.00 0.00 H new ATOM 0 HB3 ASN A 53 8.143 8.967 -7.979 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.926 8.462 -9.756 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.970 6.899 -10.579 1.00 0.00 H new ATOM 547 N PRO A 54 11.539 10.486 -7.485 1.00 0.00 N ATOM 548 CA PRO A 54 11.977 11.547 -6.532 1.00 0.00 C ATOM 549 C PRO A 54 10.881 12.592 -6.223 1.00 0.00 C ATOM 550 O PRO A 54 10.778 13.081 -5.094 1.00 0.00 O ATOM 551 CB PRO A 54 13.154 12.207 -7.275 1.00 0.00 C ATOM 552 CG PRO A 54 12.845 11.986 -8.717 1.00 0.00 C ATOM 553 CD PRO A 54 12.255 10.609 -8.781 1.00 0.00 C ATOM 0 HA PRO A 54 12.230 11.131 -5.557 1.00 0.00 H new ATOM 0 HB2 PRO A 54 13.227 13.269 -7.041 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.105 11.753 -6.997 1.00 0.00 H new ATOM 0 HG2 PRO A 54 12.144 12.733 -9.089 1.00 0.00 H new ATOM 0 HG3 PRO A 54 13.744 12.059 -9.329 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.577 10.500 -9.628 1.00 0.00 H new ATOM 0 HD3 PRO A 54 13.025 9.845 -8.890 1.00 0.00 H new ATOM 561 N ASP A 55 10.077 12.914 -7.255 1.00 0.00 N ATOM 562 CA ASP A 55 8.986 13.908 -7.159 1.00 0.00 C ATOM 563 C ASP A 55 7.768 13.427 -6.345 1.00 0.00 C ATOM 564 O ASP A 55 7.093 14.253 -5.720 1.00 0.00 O ATOM 565 CB ASP A 55 8.527 14.317 -8.562 1.00 0.00 C ATOM 566 CG ASP A 55 9.510 15.241 -9.258 1.00 0.00 C ATOM 567 OD1 ASP A 55 10.414 14.731 -9.952 1.00 0.00 O ATOM 568 OD2 ASP A 55 9.375 16.473 -9.108 1.00 0.00 O ATOM 0 H ASP A 55 10.164 12.493 -8.180 1.00 0.00 H new ATOM 0 HA ASP A 55 9.404 14.759 -6.621 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.385 13.422 -9.168 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.558 14.811 -8.492 1.00 0.00 H new ATOM 573 N ASN A 56 7.487 12.109 -6.352 1.00 0.00 N ATOM 574 CA ASN A 56 6.338 11.555 -5.618 1.00 0.00 C ATOM 575 C ASN A 56 6.738 10.397 -4.658 1.00 0.00 C ATOM 576 O ASN A 56 6.348 9.242 -4.884 1.00 0.00 O ATOM 577 CB ASN A 56 5.265 11.092 -6.616 1.00 0.00 C ATOM 578 CG ASN A 56 4.372 12.221 -7.080 1.00 0.00 C ATOM 579 OD1 ASN A 56 3.370 12.540 -6.441 1.00 0.00 O ATOM 580 ND2 ASN A 56 4.729 12.827 -8.201 1.00 0.00 N ATOM 0 H ASN A 56 8.038 11.414 -6.856 1.00 0.00 H new ATOM 0 HA ASN A 56 5.935 12.348 -4.988 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.750 10.640 -7.481 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.654 10.318 -6.152 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.165 13.593 -8.569 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.569 12.528 -8.697 1.00 0.00 H new ATOM 587 N PRO A 57 7.541 10.674 -3.569 1.00 0.00 N ATOM 588 CA PRO A 57 7.949 9.642 -2.584 1.00 0.00 C ATOM 589 C PRO A 57 6.881 9.382 -1.501 1.00 0.00 C ATOM 590 O PRO A 57 6.021 10.234 -1.270 1.00 0.00 O ATOM 591 CB PRO A 57 9.220 10.240 -1.939 1.00 0.00 C ATOM 592 CG PRO A 57 9.468 11.549 -2.634 1.00 0.00 C ATOM 593 CD PRO A 57 8.150 11.973 -3.216 1.00 0.00 C ATOM 0 HA PRO A 57 8.102 8.676 -3.065 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.080 10.388 -0.868 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.070 9.568 -2.059 1.00 0.00 H new ATOM 0 HG2 PRO A 57 9.842 12.296 -1.934 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.220 11.438 -3.415 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.545 12.526 -2.497 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.276 12.615 -4.088 1.00 0.00 H new ATOM 601 N TYR A 58 6.945 8.201 -0.854 1.00 0.00 N ATOM 602 CA TYR A 58 6.003 7.845 0.217 1.00 0.00 C ATOM 603 C TYR A 58 6.743 7.347 1.455 1.00 0.00 C ATOM 604 O TYR A 58 7.723 6.603 1.344 1.00 0.00 O ATOM 605 CB TYR A 58 5.002 6.776 -0.245 1.00 0.00 C ATOM 606 CG TYR A 58 3.869 7.310 -1.103 1.00 0.00 C ATOM 607 CD1 TYR A 58 3.984 7.372 -2.487 1.00 0.00 C ATOM 608 CD2 TYR A 58 2.682 7.745 -0.522 1.00 0.00 C ATOM 609 CE1 TYR A 58 2.949 7.854 -3.267 1.00 0.00 C ATOM 610 CE2 TYR A 58 1.644 8.226 -1.296 1.00 0.00 C ATOM 611 CZ TYR A 58 1.782 8.279 -2.667 1.00 0.00 C ATOM 612 OH TYR A 58 0.751 8.758 -3.441 1.00 0.00 O ATOM 0 H TYR A 58 7.639 7.481 -1.057 1.00 0.00 H new ATOM 0 HA TYR A 58 5.453 8.751 0.470 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.538 6.011 -0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.578 6.288 0.633 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.896 7.039 -2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.570 7.706 0.552 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.054 7.897 -4.341 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.729 8.559 -0.830 1.00 0.00 H new ATOM 0 HH TYR A 58 0.001 9.015 -2.865 1.00 0.00 H new ATOM 622 N LYS A 59 6.253 7.768 2.628 1.00 0.00 N ATOM 623 CA LYS A 59 6.839 7.382 3.910 1.00 0.00 C ATOM 624 C LYS A 59 5.831 6.561 4.717 1.00 0.00 C ATOM 625 O LYS A 59 4.650 6.912 4.783 1.00 0.00 O ATOM 626 CB LYS A 59 7.287 8.626 4.693 1.00 0.00 C ATOM 627 CG LYS A 59 8.455 9.394 4.062 1.00 0.00 C ATOM 628 CD LYS A 59 9.806 8.900 4.571 1.00 0.00 C ATOM 629 CE LYS A 59 10.956 9.626 3.889 1.00 0.00 C ATOM 630 NZ LYS A 59 12.280 9.150 4.377 1.00 0.00 N ATOM 0 H LYS A 59 5.443 8.383 2.711 1.00 0.00 H new ATOM 0 HA LYS A 59 7.720 6.766 3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.437 9.301 4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.572 8.322 5.700 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.415 9.288 2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.351 10.456 4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.867 9.050 5.649 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.894 7.828 4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.891 9.477 2.811 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.867 10.697 4.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.037 9.669 3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.352 9.315 5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.376 8.133 4.183 1.00 0.00 H new ATOM 644 N GLU A 60 6.323 5.483 5.354 1.00 0.00 N ATOM 645 CA GLU A 60 5.493 4.542 6.120 1.00 0.00 C ATOM 646 C GLU A 60 5.063 5.068 7.514 1.00 0.00 C ATOM 647 O GLU A 60 5.895 5.272 8.402 1.00 0.00 O ATOM 648 CB GLU A 60 6.279 3.203 6.226 1.00 0.00 C ATOM 649 CG GLU A 60 5.808 2.222 7.302 1.00 0.00 C ATOM 650 CD GLU A 60 4.623 1.379 6.872 1.00 0.00 C ATOM 651 OE1 GLU A 60 3.491 1.903 6.869 1.00 0.00 O ATOM 652 OE2 GLU A 60 4.832 0.194 6.537 1.00 0.00 O ATOM 0 H GLU A 60 7.314 5.241 5.350 1.00 0.00 H new ATOM 0 HA GLU A 60 4.551 4.401 5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.230 2.700 5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.328 3.436 6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.635 1.564 7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.541 2.780 8.200 1.00 0.00 H new ATOM 659 N VAL A 61 3.739 5.259 7.669 1.00 0.00 N ATOM 660 CA VAL A 61 3.118 5.690 8.940 1.00 0.00 C ATOM 661 C VAL A 61 2.688 4.476 9.777 1.00 0.00 C ATOM 662 O VAL A 61 2.953 4.420 10.982 1.00 0.00 O ATOM 663 CB VAL A 61 1.853 6.593 8.747 1.00 0.00 C ATOM 664 CG1 VAL A 61 2.114 8.013 9.206 1.00 0.00 C ATOM 665 CG2 VAL A 61 1.340 6.593 7.308 1.00 0.00 C ATOM 0 H VAL A 61 3.066 5.119 6.915 1.00 0.00 H new ATOM 0 HA VAL A 61 3.888 6.273 9.445 1.00 0.00 H new ATOM 0 HB VAL A 61 1.073 6.156 9.371 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.217 8.614 9.059 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.380 8.011 10.263 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.934 8.438 8.627 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.463 7.236 7.235 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.120 6.966 6.644 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.071 5.577 7.018 1.00 0.00 H new ATOM 675 N LYS A 62 2.020 3.508 9.113 1.00 0.00 N ATOM 676 CA LYS A 62 1.511 2.275 9.748 1.00 0.00 C ATOM 677 C LYS A 62 1.052 1.287 8.673 1.00 0.00 C ATOM 678 O LYS A 62 0.865 1.676 7.513 1.00 0.00 O ATOM 679 CB LYS A 62 0.300 2.595 10.654 1.00 0.00 C ATOM 680 CG LYS A 62 0.209 1.744 11.927 1.00 0.00 C ATOM 681 CD LYS A 62 0.946 2.389 13.101 1.00 0.00 C ATOM 682 CE LYS A 62 0.890 1.519 14.353 1.00 0.00 C ATOM 683 NZ LYS A 62 1.833 0.365 14.284 1.00 0.00 N ATOM 0 H LYS A 62 1.818 3.561 8.115 1.00 0.00 H new ATOM 0 HA LYS A 62 2.316 1.843 10.343 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.344 3.646 10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.614 2.459 10.076 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.838 1.599 12.192 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.629 0.757 11.734 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.986 2.563 12.826 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.506 3.363 13.315 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.127 2.127 15.226 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.126 1.148 14.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.759 -0.196 15.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.592 -0.232 13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.806 0.717 14.181 1.00 0.00 H new ATOM 697 N VAL A 63 0.861 0.010 9.056 1.00 0.00 N ATOM 698 CA VAL A 63 0.364 -0.987 8.102 1.00 0.00 C ATOM 699 C VAL A 63 -1.137 -1.229 8.366 1.00 0.00 C ATOM 700 O VAL A 63 -1.531 -1.941 9.300 1.00 0.00 O ATOM 701 CB VAL A 63 1.179 -2.329 8.146 1.00 0.00 C ATOM 702 CG1 VAL A 63 2.593 -2.128 7.612 1.00 0.00 C ATOM 703 CG2 VAL A 63 1.247 -2.918 9.552 1.00 0.00 C ATOM 0 H VAL A 63 1.039 -0.345 9.996 1.00 0.00 H new ATOM 0 HA VAL A 63 0.500 -0.594 7.095 1.00 0.00 H new ATOM 0 HB VAL A 63 0.647 -3.034 7.508 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.135 -3.073 7.654 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.546 -1.782 6.580 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.110 -1.386 8.221 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.820 -3.845 9.531 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.731 -2.207 10.221 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.238 -3.124 9.909 1.00 0.00 H new ATOM 713 N GLY A 64 -1.949 -0.586 7.536 1.00 0.00 N ATOM 714 CA GLY A 64 -3.399 -0.678 7.638 1.00 0.00 C ATOM 715 C GLY A 64 -4.086 0.250 6.657 1.00 0.00 C ATOM 716 O GLY A 64 -3.480 0.688 5.672 1.00 0.00 O ATOM 0 H GLY A 64 -1.622 0.011 6.777 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.713 -1.705 7.450 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.710 -0.430 8.653 1.00 0.00 H new ATOM 720 N GLU A 65 -5.364 0.538 6.934 1.00 0.00 N ATOM 721 CA GLU A 65 -6.139 1.482 6.132 1.00 0.00 C ATOM 722 C GLU A 65 -6.395 2.735 6.965 1.00 0.00 C ATOM 723 O GLU A 65 -7.209 2.730 7.898 1.00 0.00 O ATOM 724 CB GLU A 65 -7.458 0.865 5.645 1.00 0.00 C ATOM 725 CG GLU A 65 -7.316 0.043 4.368 1.00 0.00 C ATOM 726 CD GLU A 65 -6.973 -1.414 4.636 1.00 0.00 C ATOM 727 OE1 GLU A 65 -5.810 -1.695 4.996 1.00 0.00 O ATOM 728 OE2 GLU A 65 -7.869 -2.270 4.488 1.00 0.00 O ATOM 0 H GLU A 65 -5.881 0.127 7.711 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.569 1.742 5.240 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.864 0.230 6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.181 1.663 5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.247 0.094 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.540 0.484 3.742 1.00 0.00 H new ATOM 735 N CYS A 66 -5.663 3.796 6.627 1.00 0.00 N ATOM 736 CA CYS A 66 -5.746 5.065 7.342 1.00 0.00 C ATOM 737 C CYS A 66 -6.358 6.185 6.491 1.00 0.00 C ATOM 738 O CYS A 66 -6.326 6.134 5.256 1.00 0.00 O ATOM 739 CB CYS A 66 -4.345 5.451 7.841 1.00 0.00 C ATOM 740 SG CYS A 66 -3.177 6.021 6.556 1.00 0.00 S ATOM 0 H CYS A 66 -4.999 3.799 5.853 1.00 0.00 H new ATOM 0 HA CYS A 66 -6.417 4.934 8.191 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -4.449 6.239 8.587 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.909 4.589 8.346 1.00 0.00 H new ATOM 745 N ASP A 67 -6.906 7.195 7.187 1.00 0.00 N ATOM 746 CA ASP A 67 -7.531 8.363 6.554 1.00 0.00 C ATOM 747 C ASP A 67 -6.587 9.581 6.603 1.00 0.00 C ATOM 748 O ASP A 67 -5.514 9.516 7.215 1.00 0.00 O ATOM 749 CB ASP A 67 -8.867 8.680 7.249 1.00 0.00 C ATOM 750 CG ASP A 67 -9.978 7.727 6.847 1.00 0.00 C ATOM 751 OD1 ASP A 67 -10.677 8.015 5.854 1.00 0.00 O ATOM 752 OD2 ASP A 67 -10.147 6.694 7.527 1.00 0.00 O ATOM 0 H ASP A 67 -6.927 7.222 8.206 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.726 8.133 5.506 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.729 8.636 8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.164 9.700 7.007 1.00 0.00 H new ATOM 757 N ASP A 68 -6.998 10.691 5.952 1.00 0.00 N ATOM 758 CA ASP A 68 -6.201 11.941 5.899 1.00 0.00 C ATOM 759 C ASP A 68 -6.201 12.728 7.239 1.00 0.00 C ATOM 760 O ASP A 68 -5.501 13.741 7.366 1.00 0.00 O ATOM 761 CB ASP A 68 -6.685 12.843 4.735 1.00 0.00 C ATOM 762 CG ASP A 68 -8.187 13.121 4.739 1.00 0.00 C ATOM 763 OD1 ASP A 68 -8.939 12.330 4.133 1.00 0.00 O ATOM 764 OD2 ASP A 68 -8.601 14.132 5.347 1.00 0.00 O ATOM 0 H ASP A 68 -7.885 10.748 5.451 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.168 11.642 5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.151 13.792 4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.417 12.371 3.790 1.00 0.00 H new ATOM 769 N ALA A 69 -6.974 12.238 8.225 1.00 0.00 N ATOM 770 CA ALA A 69 -7.073 12.875 9.550 1.00 0.00 C ATOM 771 C ALA A 69 -6.044 12.303 10.551 1.00 0.00 C ATOM 772 O ALA A 69 -6.109 12.587 11.757 1.00 0.00 O ATOM 773 CB ALA A 69 -8.495 12.722 10.082 1.00 0.00 C ATOM 0 H ALA A 69 -7.543 11.397 8.127 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.840 13.934 9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.569 13.193 11.062 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.194 13.200 9.396 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.739 11.663 10.169 1.00 0.00 H new ATOM 779 N ASN A 70 -5.080 11.522 10.031 1.00 0.00 N ATOM 780 CA ASN A 70 -4.031 10.902 10.842 1.00 0.00 C ATOM 781 C ASN A 70 -2.727 11.697 10.750 1.00 0.00 C ATOM 782 O ASN A 70 -2.447 12.340 9.732 1.00 0.00 O ATOM 783 CB ASN A 70 -3.797 9.450 10.393 1.00 0.00 C ATOM 784 CG ASN A 70 -4.901 8.491 10.828 1.00 0.00 C ATOM 785 OD1 ASN A 70 -6.086 8.838 10.843 1.00 0.00 O ATOM 786 ND2 ASN A 70 -4.512 7.273 11.186 1.00 0.00 N ATOM 0 H ASN A 70 -5.011 11.306 9.036 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.361 10.903 11.881 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.712 9.424 9.307 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.846 9.103 10.796 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.202 6.585 11.487 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -3.523 7.025 11.160 1.00 0.00 H new ATOM 793 N LYS A 71 -1.938 11.634 11.829 1.00 0.00 N ATOM 794 CA LYS A 71 -0.646 12.340 11.919 1.00 0.00 C ATOM 795 C LYS A 71 0.529 11.460 11.415 1.00 0.00 C ATOM 796 O LYS A 71 0.445 10.229 11.514 1.00 0.00 O ATOM 797 CB LYS A 71 -0.380 12.836 13.366 1.00 0.00 C ATOM 798 CG LYS A 71 -0.506 11.776 14.468 1.00 0.00 C ATOM 799 CD LYS A 71 -0.193 12.356 15.841 1.00 0.00 C ATOM 800 CE LYS A 71 -0.272 11.298 16.937 1.00 0.00 C ATOM 801 NZ LYS A 71 -1.679 10.973 17.312 1.00 0.00 N ATOM 0 H LYS A 71 -2.172 11.096 12.663 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.709 13.210 11.265 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.624 13.258 13.407 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.075 13.646 13.586 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.516 11.367 14.467 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.173 10.949 14.258 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.805 12.794 15.831 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.893 13.162 16.063 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.230 10.391 16.600 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.264 11.651 17.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.681 10.250 18.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.153 11.831 17.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.185 10.611 16.479 1.00 0.00 H new ATOM 815 N PRO A 72 1.646 12.063 10.868 1.00 0.00 N ATOM 816 CA PRO A 72 2.808 11.291 10.361 1.00 0.00 C ATOM 817 C PRO A 72 3.731 10.771 11.473 1.00 0.00 C ATOM 818 O PRO A 72 4.025 11.493 12.436 1.00 0.00 O ATOM 819 CB PRO A 72 3.573 12.304 9.480 1.00 0.00 C ATOM 820 CG PRO A 72 2.716 13.530 9.418 1.00 0.00 C ATOM 821 CD PRO A 72 1.876 13.514 10.663 1.00 0.00 C ATOM 0 HA PRO A 72 2.474 10.398 9.833 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.550 12.532 9.907 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.748 11.900 8.483 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.328 14.431 9.372 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.090 13.523 8.526 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.393 13.968 11.509 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.942 14.060 10.531 1.00 0.00 H new ATOM 829 N VAL A 73 4.170 9.511 11.332 1.00 0.00 N ATOM 830 CA VAL A 73 5.076 8.879 12.304 1.00 0.00 C ATOM 831 C VAL A 73 6.282 8.113 11.657 1.00 0.00 C ATOM 832 O VAL A 73 7.070 7.537 12.420 1.00 0.00 O ATOM 833 CB VAL A 73 4.334 7.947 13.326 1.00 0.00 C ATOM 834 CG1 VAL A 73 3.708 8.774 14.441 1.00 0.00 C ATOM 835 CG2 VAL A 73 3.266 7.061 12.675 1.00 0.00 C ATOM 0 H VAL A 73 3.911 8.908 10.551 1.00 0.00 H new ATOM 0 HA VAL A 73 5.490 9.726 12.851 1.00 0.00 H new ATOM 0 HB VAL A 73 5.092 7.280 13.736 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.197 8.113 15.141 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.487 9.326 14.966 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.991 9.475 14.015 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.792 6.442 13.437 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.513 7.689 12.198 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.732 6.421 11.926 1.00 0.00 H new TER 845 VAL A 73