USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 435 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 35 THR OG1 : rot 180:sc= -0.07 USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -3.97 K(o=-4,f=-7.1!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.75 K(o=-1.7,f=-4.4!) USER MOD Single : A 13 ASN : amide:sc= -1.61 K(o=-1.6,f=-0.42) USER MOD Single : A 16 ASN : amide:sc=-0.00199 K(o=-0.002,f=-0.75) USER MOD Single : A 18 MET CE :methyl -138:sc= -0.214 (180deg=-1.08) USER MOD Single : A 23 MET CE :methyl -170:sc= 0 (180deg=-0.188) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 162:sc= 0 (180deg=-0.487) USER MOD Single : A 29 THR OG1 : rot 80:sc= -0.912 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0991 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -168:sc= -0.0089 (180deg=-0.142) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 138:sc= 0.107 (180deg=-0.00795) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.785 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -2.5 K(o=-2.5,f=-1.3) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.54 K(o=-1.5,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 0.411 -4.898 -2.126 1.00 62.44 N ATOM 19 CA LEU A 2 1.745 -5.242 -1.645 1.00 34.42 C ATOM 20 C LEU A 2 2.786 -4.265 -2.180 1.00 51.22 C ATOM 21 O LEU A 2 2.625 -3.703 -3.264 1.00 23.30 O ATOM 22 CB LEU A 2 2.106 -6.669 -2.061 1.00 63.20 C ATOM 23 CG LEU A 2 3.460 -7.188 -1.574 1.00 51.31 C ATOM 24 CD1 LEU A 2 3.430 -7.431 -0.073 1.00 73.22 C ATOM 25 CD2 LEU A 2 3.841 -8.461 -2.315 1.00 43.22 C ATOM 0 HA LEU A 2 1.740 -5.178 -0.557 1.00 34.42 H new ATOM 0 HB2 LEU A 2 1.329 -7.340 -1.695 1.00 63.20 H new ATOM 0 HB3 LEU A 2 2.088 -6.724 -3.149 1.00 63.20 H new ATOM 0 HG LEU A 2 4.215 -6.430 -1.783 1.00 51.31 H new ATOM 0 HD11 LEU A 2 4.402 -7.800 0.255 1.00 73.22 H new ATOM 0 HD12 LEU A 2 3.203 -6.498 0.442 1.00 73.22 H new ATOM 0 HD13 LEU A 2 2.664 -8.170 0.161 1.00 73.22 H new ATOM 0 HD21 LEU A 2 4.807 -8.816 -1.956 1.00 43.22 H new ATOM 0 HD22 LEU A 2 3.085 -9.226 -2.138 1.00 43.22 H new ATOM 0 HD23 LEU A 2 3.905 -8.255 -3.383 1.00 43.22 H new ATOM 37 N ASP A 3 3.854 -4.068 -1.415 1.00 34.03 N ATOM 38 CA ASP A 3 4.924 -3.161 -1.813 1.00 55.14 C ATOM 39 C ASP A 3 6.254 -3.900 -1.911 1.00 64.00 C ATOM 40 O ASP A 3 6.661 -4.594 -0.979 1.00 21.41 O ATOM 41 CB ASP A 3 5.039 -2.006 -0.818 1.00 3.24 C ATOM 42 CG ASP A 3 4.133 -0.843 -1.171 1.00 74.42 C ATOM 43 OD1 ASP A 3 4.480 -0.079 -2.096 1.00 25.12 O ATOM 44 OD2 ASP A 3 3.075 -0.699 -0.524 1.00 53.50 O ATOM 0 H ASP A 3 4.002 -4.525 -0.515 1.00 34.03 H new ATOM 0 HA ASP A 3 4.680 -2.759 -2.796 1.00 55.14 H new ATOM 0 HB2 ASP A 3 4.791 -2.365 0.181 1.00 3.24 H new ATOM 0 HB3 ASP A 3 6.072 -1.660 -0.785 1.00 3.24 H new ATOM 49 N CYS A 4 6.928 -3.747 -3.046 1.00 24.10 N ATOM 50 CA CYS A 4 8.213 -4.401 -3.267 1.00 54.43 C ATOM 51 C CYS A 4 9.195 -3.453 -3.949 1.00 1.41 C ATOM 52 O CYS A 4 8.801 -2.427 -4.505 1.00 72.25 O ATOM 53 CB CYS A 4 8.028 -5.659 -4.117 1.00 63.34 C ATOM 54 SG CYS A 4 6.589 -6.671 -3.646 1.00 14.14 S ATOM 0 H CYS A 4 6.606 -3.176 -3.827 1.00 24.10 H new ATOM 0 HA CYS A 4 8.622 -4.683 -2.297 1.00 54.43 H new ATOM 0 HB2 CYS A 4 7.926 -5.366 -5.162 1.00 63.34 H new ATOM 0 HB3 CYS A 4 8.928 -6.270 -4.043 1.00 63.34 H new ATOM 59 N HIS A 5 10.477 -3.803 -3.901 1.00 54.34 N ATOM 60 CA HIS A 5 11.516 -2.984 -4.515 1.00 1.21 C ATOM 61 C HIS A 5 11.642 -3.292 -6.004 1.00 24.02 C ATOM 62 O HIS A 5 12.146 -4.347 -6.389 1.00 71.23 O ATOM 63 CB HIS A 5 12.857 -3.218 -3.818 1.00 52.12 C ATOM 64 CG HIS A 5 12.979 -2.513 -2.503 1.00 4.44 C ATOM 65 ND1 HIS A 5 13.290 -1.174 -2.393 1.00 10.44 N ATOM 66 CD2 HIS A 5 12.829 -2.968 -1.237 1.00 5.23 C ATOM 67 CE1 HIS A 5 13.328 -0.836 -1.116 1.00 34.10 C ATOM 68 NE2 HIS A 5 13.051 -1.907 -0.394 1.00 2.24 N ATOM 0 H HIS A 5 10.821 -4.647 -3.444 1.00 54.34 H new ATOM 0 HA HIS A 5 11.234 -1.937 -4.402 1.00 1.21 H new ATOM 0 HB2 HIS A 5 12.994 -4.288 -3.661 1.00 52.12 H new ATOM 0 HB3 HIS A 5 13.661 -2.886 -4.475 1.00 52.12 H new ATOM 0 HD2 HIS A 5 12.581 -3.978 -0.944 1.00 5.23 H new ATOM 0 HE1 HIS A 5 13.548 0.148 -0.729 1.00 34.10 H new ATOM 0 HE2 HIS A 5 13.009 -1.940 0.625 1.00 2.24 H new ATOM 76 N VAL A 6 11.181 -2.364 -6.837 1.00 21.25 N ATOM 77 CA VAL A 6 11.243 -2.537 -8.283 1.00 52.40 C ATOM 78 C VAL A 6 12.346 -1.679 -8.892 1.00 43.11 C ATOM 79 O VAL A 6 12.234 -0.454 -8.952 1.00 61.13 O ATOM 80 CB VAL A 6 9.901 -2.177 -8.949 1.00 3.52 C ATOM 81 CG1 VAL A 6 9.899 -2.601 -10.410 1.00 2.35 C ATOM 82 CG2 VAL A 6 8.745 -2.818 -8.197 1.00 72.01 C ATOM 0 H VAL A 6 10.761 -1.485 -6.535 1.00 21.25 H new ATOM 0 HA VAL A 6 11.461 -3.589 -8.467 1.00 52.40 H new ATOM 0 HB VAL A 6 9.774 -1.095 -8.910 1.00 3.52 H new ATOM 0 HG11 VAL A 6 8.943 -2.339 -10.864 1.00 2.35 H new ATOM 0 HG12 VAL A 6 10.704 -2.090 -10.938 1.00 2.35 H new ATOM 0 HG13 VAL A 6 10.048 -3.679 -10.476 1.00 2.35 H new ATOM 0 HG21 VAL A 6 7.805 -2.553 -8.681 1.00 72.01 H new ATOM 0 HG22 VAL A 6 8.864 -3.902 -8.203 1.00 72.01 H new ATOM 0 HG23 VAL A 6 8.737 -2.459 -7.168 1.00 72.01 H new ATOM 92 N CYS A 7 13.413 -2.330 -9.344 1.00 31.14 N ATOM 93 CA CYS A 7 14.538 -1.628 -9.949 1.00 24.41 C ATOM 94 C CYS A 7 15.574 -2.616 -10.479 1.00 32.21 C ATOM 95 O CYS A 7 15.599 -3.779 -10.078 1.00 24.32 O ATOM 96 CB CYS A 7 15.188 -0.689 -8.931 1.00 31.12 C ATOM 97 SG CYS A 7 15.937 -1.541 -7.505 1.00 53.12 S ATOM 0 H CYS A 7 13.522 -3.343 -9.302 1.00 31.14 H new ATOM 0 HA CYS A 7 14.160 -1.040 -10.785 1.00 24.41 H new ATOM 0 HB2 CYS A 7 15.956 -0.101 -9.434 1.00 31.12 H new ATOM 0 HB3 CYS A 7 14.437 0.012 -8.568 1.00 31.12 H new ATOM 102 N ALA A 8 16.426 -2.143 -11.382 1.00 61.54 N ATOM 103 CA ALA A 8 17.465 -2.983 -11.966 1.00 32.44 C ATOM 104 C ALA A 8 18.804 -2.254 -12.003 1.00 73.41 C ATOM 105 O ALA A 8 18.887 -1.112 -12.456 1.00 23.51 O ATOM 106 CB ALA A 8 17.063 -3.425 -13.365 1.00 53.21 C ATOM 0 H ALA A 8 16.418 -1.183 -11.725 1.00 61.54 H new ATOM 0 HA ALA A 8 17.579 -3.866 -11.337 1.00 32.44 H new ATOM 0 HB1 ALA A 8 17.848 -4.051 -13.788 1.00 53.21 H new ATOM 0 HB2 ALA A 8 16.134 -3.993 -13.314 1.00 53.21 H new ATOM 0 HB3 ALA A 8 16.918 -2.548 -13.996 1.00 53.21 H new ATOM 112 N TYR A 9 19.848 -2.921 -11.524 1.00 42.40 N ATOM 113 CA TYR A 9 21.183 -2.334 -11.500 1.00 20.40 C ATOM 114 C TYR A 9 22.248 -3.394 -11.766 1.00 2.22 C ATOM 115 O TYR A 9 22.061 -4.569 -11.455 1.00 63.42 O ATOM 116 CB TYR A 9 21.443 -1.661 -10.151 1.00 71.13 C ATOM 117 CG TYR A 9 22.781 -0.962 -10.072 1.00 1.34 C ATOM 118 CD1 TYR A 9 23.065 0.131 -10.882 1.00 22.31 C ATOM 119 CD2 TYR A 9 23.762 -1.394 -9.187 1.00 55.31 C ATOM 120 CE1 TYR A 9 24.287 0.773 -10.813 1.00 73.42 C ATOM 121 CE2 TYR A 9 24.985 -0.757 -9.110 1.00 61.15 C ATOM 122 CZ TYR A 9 25.243 0.325 -9.926 1.00 0.34 C ATOM 123 OH TYR A 9 26.461 0.961 -9.853 1.00 42.24 O ATOM 0 H TYR A 9 19.796 -3.868 -11.147 1.00 42.40 H new ATOM 0 HA TYR A 9 21.237 -1.584 -12.289 1.00 20.40 H new ATOM 0 HB2 TYR A 9 20.652 -0.937 -9.957 1.00 71.13 H new ATOM 0 HB3 TYR A 9 21.388 -2.412 -9.363 1.00 71.13 H new ATOM 0 HD1 TYR A 9 22.318 0.485 -11.577 1.00 22.31 H new ATOM 0 HD2 TYR A 9 23.564 -2.242 -8.549 1.00 55.31 H new ATOM 0 HE1 TYR A 9 24.492 1.621 -11.450 1.00 73.42 H new ATOM 0 HE2 TYR A 9 25.735 -1.104 -8.415 1.00 61.15 H new ATOM 0 HH TYR A 9 27.019 0.522 -9.178 1.00 42.24 H new ATOM 133 N ASN A 10 23.367 -2.967 -12.343 1.00 32.02 N ATOM 134 CA ASN A 10 24.463 -3.878 -12.651 1.00 44.22 C ATOM 135 C ASN A 10 25.504 -3.874 -11.535 1.00 51.14 C ATOM 136 O ASN A 10 26.651 -3.483 -11.744 1.00 5.32 O ATOM 137 CB ASN A 10 25.120 -3.488 -13.977 1.00 72.42 C ATOM 138 CG ASN A 10 24.140 -3.506 -15.135 1.00 20.44 C ATOM 139 OD1 ASN A 10 22.961 -3.814 -14.959 1.00 51.35 O ATOM 140 ND2 ASN A 10 24.626 -3.176 -16.326 1.00 35.32 N ATOM 0 H ASN A 10 23.538 -1.997 -12.606 1.00 32.02 H new ATOM 0 HA ASN A 10 24.053 -4.884 -12.738 1.00 44.22 H new ATOM 0 HB2 ASN A 10 25.552 -2.492 -13.886 1.00 72.42 H new ATOM 0 HB3 ASN A 10 25.941 -4.174 -14.188 1.00 72.42 H new ATOM 0 HD21 ASN A 10 24.015 -3.171 -17.143 1.00 35.32 H new ATOM 0 HD22 ASN A 10 25.610 -2.928 -16.424 1.00 35.32 H new ATOM 147 N GLY A 11 25.094 -4.313 -10.349 1.00 74.33 N ATOM 148 CA GLY A 11 26.002 -4.353 -9.218 1.00 51.32 C ATOM 149 C GLY A 11 25.487 -5.226 -8.091 1.00 53.41 C ATOM 150 O GLY A 11 24.959 -6.312 -8.330 1.00 12.12 O ATOM 0 H GLY A 11 24.149 -4.642 -10.151 1.00 74.33 H new ATOM 0 HA2 GLY A 11 26.972 -4.726 -9.548 1.00 51.32 H new ATOM 0 HA3 GLY A 11 26.159 -3.340 -8.846 1.00 51.32 H new ATOM 154 N ASP A 12 25.641 -4.751 -6.860 1.00 21.41 N ATOM 155 CA ASP A 12 25.188 -5.497 -5.691 1.00 51.51 C ATOM 156 C ASP A 12 23.670 -5.646 -5.697 1.00 13.21 C ATOM 157 O ASP A 12 23.142 -6.706 -6.031 1.00 11.32 O ATOM 158 CB ASP A 12 25.639 -4.798 -4.408 1.00 1.54 C ATOM 159 CG ASP A 12 25.125 -5.489 -3.160 1.00 61.23 C ATOM 160 OD1 ASP A 12 24.902 -6.717 -3.212 1.00 15.03 O ATOM 161 OD2 ASP A 12 24.947 -4.803 -2.132 1.00 43.15 O ATOM 0 H ASP A 12 26.076 -3.854 -6.645 1.00 21.41 H new ATOM 0 HA ASP A 12 25.633 -6.491 -5.730 1.00 51.51 H new ATOM 0 HB2 ASP A 12 26.728 -4.765 -4.379 1.00 1.54 H new ATOM 0 HB3 ASP A 12 25.289 -3.766 -4.418 1.00 1.54 H new ATOM 166 N ASN A 13 22.974 -4.577 -5.324 1.00 14.21 N ATOM 167 CA ASN A 13 21.516 -4.590 -5.285 1.00 12.44 C ATOM 168 C ASN A 13 20.964 -3.176 -5.125 1.00 35.44 C ATOM 169 O ASN A 13 21.285 -2.477 -4.163 1.00 70.51 O ATOM 170 CB ASN A 13 21.024 -5.474 -4.138 1.00 34.45 C ATOM 171 CG ASN A 13 21.960 -5.449 -2.945 1.00 61.30 C ATOM 172 OD1 ASN A 13 22.395 -4.385 -2.505 1.00 53.34 O ATOM 173 ND2 ASN A 13 22.275 -6.626 -2.416 1.00 5.43 N ATOM 0 H ASN A 13 23.396 -3.691 -5.045 1.00 14.21 H new ATOM 0 HA ASN A 13 21.155 -4.998 -6.229 1.00 12.44 H new ATOM 0 HB2 ASN A 13 20.034 -5.142 -3.826 1.00 34.45 H new ATOM 0 HB3 ASN A 13 20.919 -6.499 -4.493 1.00 34.45 H new ATOM 0 HD21 ASN A 13 22.901 -6.673 -1.612 1.00 5.43 H new ATOM 0 HD22 ASN A 13 21.891 -7.483 -2.814 1.00 5.43 H new ATOM 180 N CYS A 14 20.130 -2.762 -6.073 1.00 2.10 N ATOM 181 CA CYS A 14 19.532 -1.433 -6.039 1.00 1.23 C ATOM 182 C CYS A 14 18.403 -1.371 -5.014 1.00 51.32 C ATOM 183 O CYS A 14 18.076 -2.370 -4.373 1.00 52.23 O ATOM 184 CB CYS A 14 19.001 -1.054 -7.423 1.00 3.33 C ATOM 185 SG CYS A 14 17.745 -2.200 -8.077 1.00 3.42 S ATOM 0 H CYS A 14 19.853 -3.328 -6.875 1.00 2.10 H new ATOM 0 HA CYS A 14 20.304 -0.722 -5.747 1.00 1.23 H new ATOM 0 HB2 CYS A 14 18.574 -0.052 -7.375 1.00 3.33 H new ATOM 0 HB3 CYS A 14 19.837 -1.010 -8.122 1.00 3.33 H new ATOM 190 N PHE A 15 17.811 -0.190 -4.866 1.00 34.44 N ATOM 191 CA PHE A 15 16.718 0.003 -3.919 1.00 5.11 C ATOM 192 C PHE A 15 15.684 0.978 -4.474 1.00 1.13 C ATOM 193 O PHE A 15 16.000 2.127 -4.780 1.00 20.13 O ATOM 194 CB PHE A 15 17.258 0.520 -2.584 1.00 22.13 C ATOM 195 CG PHE A 15 17.858 -0.555 -1.723 1.00 33.20 C ATOM 196 CD1 PHE A 15 19.142 -1.017 -1.963 1.00 32.42 C ATOM 197 CD2 PHE A 15 17.138 -1.103 -0.674 1.00 35.22 C ATOM 198 CE1 PHE A 15 19.695 -2.007 -1.173 1.00 23.13 C ATOM 199 CE2 PHE A 15 17.686 -2.093 0.120 1.00 41.01 C ATOM 200 CZ PHE A 15 18.967 -2.545 -0.129 1.00 41.34 C ATOM 0 H PHE A 15 18.069 0.647 -5.389 1.00 34.44 H new ATOM 0 HA PHE A 15 16.234 -0.960 -3.759 1.00 5.11 H new ATOM 0 HB2 PHE A 15 18.012 1.283 -2.777 1.00 22.13 H new ATOM 0 HB3 PHE A 15 16.449 1.003 -2.037 1.00 22.13 H new ATOM 0 HD1 PHE A 15 19.717 -0.599 -2.776 1.00 32.42 H new ATOM 0 HD2 PHE A 15 16.136 -0.752 -0.474 1.00 35.22 H new ATOM 0 HE1 PHE A 15 20.696 -2.360 -1.372 1.00 23.13 H new ATOM 0 HE2 PHE A 15 17.113 -2.512 0.934 1.00 41.01 H new ATOM 0 HZ PHE A 15 19.399 -3.317 0.491 1.00 41.34 H new ATOM 210 N ASN A 16 14.447 0.510 -4.601 1.00 32.32 N ATOM 211 CA ASN A 16 13.365 1.339 -5.120 1.00 2.01 C ATOM 212 C ASN A 16 12.006 0.728 -4.792 1.00 1.40 C ATOM 213 O ASN A 16 11.432 -0.029 -5.575 1.00 44.45 O ATOM 214 CB ASN A 16 13.508 1.511 -6.634 1.00 33.15 C ATOM 215 CG ASN A 16 12.863 2.789 -7.133 1.00 44.45 C ATOM 216 OD1 ASN A 16 12.968 3.840 -6.500 1.00 23.44 O ATOM 217 ND2 ASN A 16 12.192 2.706 -8.276 1.00 33.20 N ATOM 0 H ASN A 16 14.169 -0.439 -4.352 1.00 32.32 H new ATOM 0 HA ASN A 16 13.428 2.317 -4.642 1.00 2.01 H new ATOM 0 HB2 ASN A 16 14.565 1.513 -6.899 1.00 33.15 H new ATOM 0 HB3 ASN A 16 13.055 0.657 -7.138 1.00 33.15 H new ATOM 0 HD21 ASN A 16 11.738 3.534 -8.662 1.00 33.20 H new ATOM 0 HD22 ASN A 16 12.130 1.814 -8.768 1.00 33.20 H new ATOM 224 N PRO A 17 11.477 1.064 -3.606 1.00 40.41 N ATOM 225 CA PRO A 17 10.179 0.562 -3.147 1.00 73.54 C ATOM 226 C PRO A 17 9.017 1.147 -3.942 1.00 54.02 C ATOM 227 O PRO A 17 8.842 2.364 -3.999 1.00 64.15 O ATOM 228 CB PRO A 17 10.115 1.022 -1.689 1.00 40.20 C ATOM 229 CG PRO A 17 11.004 2.216 -1.630 1.00 25.24 C ATOM 230 CD PRO A 17 12.105 1.962 -2.622 1.00 23.30 C ATOM 0 HA PRO A 17 10.093 -0.517 -3.271 1.00 73.54 H new ATOM 0 HB2 PRO A 17 9.095 1.273 -1.397 1.00 40.20 H new ATOM 0 HB3 PRO A 17 10.457 0.240 -1.011 1.00 40.20 H new ATOM 0 HG2 PRO A 17 10.455 3.124 -1.880 1.00 25.24 H new ATOM 0 HG3 PRO A 17 11.407 2.353 -0.627 1.00 25.24 H new ATOM 0 HD2 PRO A 17 12.450 2.887 -3.085 1.00 23.30 H new ATOM 0 HD3 PRO A 17 12.972 1.498 -2.151 1.00 23.30 H new ATOM 238 N MET A 18 8.224 0.273 -4.554 1.00 31.14 N ATOM 239 CA MET A 18 7.077 0.705 -5.344 1.00 32.51 C ATOM 240 C MET A 18 5.892 -0.234 -5.140 1.00 31.20 C ATOM 241 O MET A 18 6.054 -1.454 -5.104 1.00 74.13 O ATOM 242 CB MET A 18 7.446 0.764 -6.827 1.00 52.14 C ATOM 243 CG MET A 18 8.770 1.460 -7.097 1.00 1.13 C ATOM 244 SD MET A 18 8.654 3.254 -6.951 1.00 64.53 S ATOM 245 CE MET A 18 7.496 3.626 -8.266 1.00 64.20 C ATOM 0 H MET A 18 8.355 -0.738 -4.518 1.00 31.14 H new ATOM 0 HA MET A 18 6.790 1.702 -5.008 1.00 32.51 H new ATOM 0 HB2 MET A 18 7.491 -0.251 -7.222 1.00 52.14 H new ATOM 0 HB3 MET A 18 6.655 1.282 -7.369 1.00 52.14 H new ATOM 0 HG2 MET A 18 9.520 1.090 -6.398 1.00 1.13 H new ATOM 0 HG3 MET A 18 9.114 1.202 -8.099 1.00 1.13 H new ATOM 0 HE1 MET A 18 7.829 4.514 -8.803 1.00 64.20 H new ATOM 0 HE2 MET A 18 7.445 2.783 -8.955 1.00 64.20 H new ATOM 0 HE3 MET A 18 6.509 3.808 -7.841 1.00 64.20 H new ATOM 255 N ARG A 19 4.702 0.342 -5.006 1.00 50.45 N ATOM 256 CA ARG A 19 3.491 -0.443 -4.805 1.00 34.34 C ATOM 257 C ARG A 19 3.046 -1.102 -6.107 1.00 43.13 C ATOM 258 O ARG A 19 3.012 -0.462 -7.159 1.00 15.12 O ATOM 259 CB ARG A 19 2.368 0.442 -4.259 1.00 62.43 C ATOM 260 CG ARG A 19 1.044 -0.286 -4.096 1.00 54.15 C ATOM 261 CD ARG A 19 0.964 -1.006 -2.759 1.00 41.43 C ATOM 262 NE ARG A 19 0.369 -0.168 -1.721 1.00 44.13 N ATOM 263 CZ ARG A 19 0.185 -0.570 -0.469 1.00 11.33 C ATOM 264 NH1 ARG A 19 0.547 -1.791 -0.100 1.00 43.35 N ATOM 265 NH2 ARG A 19 -0.363 0.251 0.419 1.00 62.23 N ATOM 0 H ARG A 19 4.551 1.350 -5.033 1.00 50.45 H new ATOM 0 HA ARG A 19 3.713 -1.226 -4.080 1.00 34.34 H new ATOM 0 HB2 ARG A 19 2.672 0.846 -3.293 1.00 62.43 H new ATOM 0 HB3 ARG A 19 2.227 1.290 -4.929 1.00 62.43 H new ATOM 0 HG2 ARG A 19 0.223 0.427 -4.176 1.00 54.15 H new ATOM 0 HG3 ARG A 19 0.921 -1.005 -4.906 1.00 54.15 H new ATOM 0 HD2 ARG A 19 0.375 -1.916 -2.872 1.00 41.43 H new ATOM 0 HD3 ARG A 19 1.964 -1.310 -2.450 1.00 41.43 H new ATOM 0 HE ARG A 19 0.079 0.777 -1.972 1.00 44.13 H new ATOM 0 HH11 ARG A 19 0.968 -2.425 -0.779 1.00 43.35 H new ATOM 0 HH12 ARG A 19 0.404 -2.096 0.863 1.00 43.35 H new ATOM 0 HH21 ARG A 19 -0.643 1.191 0.140 1.00 62.23 H new ATOM 0 HH22 ARG A 19 -0.504 -0.058 1.381 1.00 62.23 H new ATOM 279 N CYS A 20 2.708 -2.385 -6.030 1.00 51.44 N ATOM 280 CA CYS A 20 2.267 -3.131 -7.202 1.00 72.23 C ATOM 281 C CYS A 20 0.831 -2.768 -7.570 1.00 41.32 C ATOM 282 O CYS A 20 0.056 -2.285 -6.745 1.00 13.32 O ATOM 283 CB CYS A 20 2.374 -4.636 -6.944 1.00 54.55 C ATOM 284 SG CYS A 20 3.867 -5.128 -6.026 1.00 23.25 S ATOM 0 H CYS A 20 2.731 -2.929 -5.168 1.00 51.44 H new ATOM 0 HA CYS A 20 2.916 -2.865 -8.037 1.00 72.23 H new ATOM 0 HB2 CYS A 20 1.495 -4.962 -6.388 1.00 54.55 H new ATOM 0 HB3 CYS A 20 2.359 -5.160 -7.900 1.00 54.55 H new ATOM 289 N PRO A 21 0.467 -3.005 -8.839 1.00 64.02 N ATOM 290 CA PRO A 21 -0.876 -2.711 -9.346 1.00 34.12 C ATOM 291 C PRO A 21 -1.932 -3.646 -8.765 1.00 50.03 C ATOM 292 O PRO A 21 -1.611 -4.583 -8.034 1.00 42.55 O ATOM 293 CB PRO A 21 -0.742 -2.928 -10.855 1.00 41.00 C ATOM 294 CG PRO A 21 0.389 -3.887 -11.001 1.00 10.33 C ATOM 295 CD PRO A 21 1.340 -3.579 -9.877 1.00 60.13 C ATOM 0 HA PRO A 21 -1.203 -1.708 -9.074 1.00 34.12 H new ATOM 0 HB2 PRO A 21 -1.661 -3.332 -11.280 1.00 41.00 H new ATOM 0 HB3 PRO A 21 -0.536 -1.991 -11.373 1.00 41.00 H new ATOM 0 HG2 PRO A 21 0.037 -4.917 -10.944 1.00 10.33 H new ATOM 0 HG3 PRO A 21 0.877 -3.770 -11.969 1.00 10.33 H new ATOM 0 HD2 PRO A 21 1.848 -4.476 -9.524 1.00 60.13 H new ATOM 0 HD3 PRO A 21 2.113 -2.875 -10.186 1.00 60.13 H new ATOM 303 N ALA A 22 -3.193 -3.386 -9.096 1.00 4.41 N ATOM 304 CA ALA A 22 -4.295 -4.206 -8.609 1.00 50.41 C ATOM 305 C ALA A 22 -4.368 -5.530 -9.361 1.00 62.04 C ATOM 306 O ALA A 22 -5.418 -5.900 -9.886 1.00 10.33 O ATOM 307 CB ALA A 22 -5.610 -3.451 -8.736 1.00 72.13 C ATOM 0 H ALA A 22 -3.476 -2.614 -9.699 1.00 4.41 H new ATOM 0 HA ALA A 22 -4.115 -4.426 -7.557 1.00 50.41 H new ATOM 0 HB1 ALA A 22 -6.425 -4.075 -8.369 1.00 72.13 H new ATOM 0 HB2 ALA A 22 -5.562 -2.534 -8.148 1.00 72.13 H new ATOM 0 HB3 ALA A 22 -5.787 -3.202 -9.782 1.00 72.13 H new ATOM 313 N MET A 23 -3.245 -6.240 -9.411 1.00 13.33 N ATOM 314 CA MET A 23 -3.183 -7.524 -10.099 1.00 51.11 C ATOM 315 C MET A 23 -2.038 -8.375 -9.559 1.00 71.14 C ATOM 316 O MET A 23 -2.174 -9.588 -9.401 1.00 74.32 O ATOM 317 CB MET A 23 -3.011 -7.312 -11.604 1.00 40.04 C ATOM 318 CG MET A 23 -1.941 -6.291 -11.956 1.00 14.30 C ATOM 319 SD MET A 23 -1.691 -6.132 -13.734 1.00 44.25 S ATOM 320 CE MET A 23 -2.296 -4.469 -14.015 1.00 23.45 C ATOM 0 H MET A 23 -2.366 -5.948 -8.983 1.00 13.33 H new ATOM 0 HA MET A 23 -4.120 -8.051 -9.919 1.00 51.11 H new ATOM 0 HB2 MET A 23 -2.760 -8.265 -12.070 1.00 40.04 H new ATOM 0 HB3 MET A 23 -3.962 -6.990 -12.028 1.00 40.04 H new ATOM 0 HG2 MET A 23 -2.220 -5.321 -11.544 1.00 14.30 H new ATOM 0 HG3 MET A 23 -1.001 -6.579 -11.485 1.00 14.30 H new ATOM 0 HE1 MET A 23 -2.374 -4.286 -15.087 1.00 23.45 H new ATOM 0 HE2 MET A 23 -3.278 -4.357 -13.555 1.00 23.45 H new ATOM 0 HE3 MET A 23 -1.605 -3.751 -13.574 1.00 23.45 H new ATOM 330 N VAL A 24 -0.909 -7.732 -9.279 1.00 13.53 N ATOM 331 CA VAL A 24 0.259 -8.430 -8.756 1.00 41.30 C ATOM 332 C VAL A 24 0.146 -8.639 -7.250 1.00 43.31 C ATOM 333 O VAL A 24 -0.409 -7.804 -6.537 1.00 55.42 O ATOM 334 CB VAL A 24 1.557 -7.658 -9.060 1.00 52.13 C ATOM 335 CG1 VAL A 24 2.710 -8.204 -8.233 1.00 31.44 C ATOM 336 CG2 VAL A 24 1.878 -7.722 -10.546 1.00 25.12 C ATOM 0 H VAL A 24 -0.779 -6.728 -9.406 1.00 13.53 H new ATOM 0 HA VAL A 24 0.297 -9.400 -9.253 1.00 41.30 H new ATOM 0 HB VAL A 24 1.410 -6.613 -8.787 1.00 52.13 H new ATOM 0 HG11 VAL A 24 3.618 -7.646 -8.462 1.00 31.44 H new ATOM 0 HG12 VAL A 24 2.478 -8.101 -7.173 1.00 31.44 H new ATOM 0 HG13 VAL A 24 2.862 -9.257 -8.471 1.00 31.44 H new ATOM 0 HG21 VAL A 24 2.798 -7.172 -10.744 1.00 25.12 H new ATOM 0 HG22 VAL A 24 2.006 -8.762 -10.846 1.00 25.12 H new ATOM 0 HG23 VAL A 24 1.061 -7.278 -11.114 1.00 25.12 H new ATOM 346 N ALA A 25 0.678 -9.759 -6.772 1.00 70.03 N ATOM 347 CA ALA A 25 0.639 -10.077 -5.350 1.00 65.03 C ATOM 348 C ALA A 25 1.875 -10.867 -4.931 1.00 14.23 C ATOM 349 O ALA A 25 1.815 -11.695 -4.022 1.00 35.04 O ATOM 350 CB ALA A 25 -0.625 -10.855 -5.018 1.00 11.05 C ATOM 0 H ALA A 25 1.141 -10.461 -7.349 1.00 70.03 H new ATOM 0 HA ALA A 25 0.632 -9.140 -4.793 1.00 65.03 H new ATOM 0 HB1 ALA A 25 -0.641 -11.086 -3.953 1.00 11.05 H new ATOM 0 HB2 ALA A 25 -1.499 -10.255 -5.272 1.00 11.05 H new ATOM 0 HB3 ALA A 25 -0.642 -11.782 -5.590 1.00 11.05 H new ATOM 356 N TYR A 26 2.993 -10.606 -5.599 1.00 33.13 N ATOM 357 CA TYR A 26 4.242 -11.295 -5.297 1.00 33.21 C ATOM 358 C TYR A 26 5.440 -10.494 -5.796 1.00 63.21 C ATOM 359 O TYR A 26 5.362 -9.806 -6.814 1.00 12.30 O ATOM 360 CB TYR A 26 4.246 -12.688 -5.929 1.00 52.04 C ATOM 361 CG TYR A 26 3.491 -13.721 -5.124 1.00 30.12 C ATOM 362 CD1 TYR A 26 4.040 -14.269 -3.971 1.00 4.41 C ATOM 363 CD2 TYR A 26 2.229 -14.150 -5.516 1.00 21.43 C ATOM 364 CE1 TYR A 26 3.355 -15.213 -3.232 1.00 31.41 C ATOM 365 CE2 TYR A 26 1.536 -15.093 -4.782 1.00 73.52 C ATOM 366 CZ TYR A 26 2.103 -15.622 -3.641 1.00 72.13 C ATOM 367 OH TYR A 26 1.416 -16.563 -2.909 1.00 11.23 O ATOM 0 H TYR A 26 3.060 -9.922 -6.353 1.00 33.13 H new ATOM 0 HA TYR A 26 4.320 -11.395 -4.214 1.00 33.21 H new ATOM 0 HB2 TYR A 26 3.809 -12.627 -6.926 1.00 52.04 H new ATOM 0 HB3 TYR A 26 5.277 -13.019 -6.052 1.00 52.04 H new ATOM 0 HD1 TYR A 26 5.020 -13.951 -3.647 1.00 4.41 H new ATOM 0 HD2 TYR A 26 1.782 -13.739 -6.409 1.00 21.43 H new ATOM 0 HE1 TYR A 26 3.797 -15.629 -2.339 1.00 31.41 H new ATOM 0 HE2 TYR A 26 0.555 -15.415 -5.100 1.00 73.52 H new ATOM 0 HH TYR A 26 0.550 -16.739 -3.333 1.00 11.23 H new ATOM 377 N CYS A 27 6.550 -10.590 -5.072 1.00 4.31 N ATOM 378 CA CYS A 27 7.767 -9.876 -5.439 1.00 2.52 C ATOM 379 C CYS A 27 8.794 -10.827 -6.046 1.00 3.11 C ATOM 380 O CYS A 27 9.117 -11.862 -5.463 1.00 51.15 O ATOM 381 CB CYS A 27 8.363 -9.178 -4.214 1.00 60.04 C ATOM 382 SG CYS A 27 7.122 -8.454 -3.094 1.00 63.01 S ATOM 0 H CYS A 27 6.632 -11.156 -4.227 1.00 4.31 H new ATOM 0 HA CYS A 27 7.507 -9.126 -6.186 1.00 2.52 H new ATOM 0 HB2 CYS A 27 8.965 -9.896 -3.657 1.00 60.04 H new ATOM 0 HB3 CYS A 27 9.037 -8.390 -4.550 1.00 60.04 H new ATOM 387 N MET A 28 9.304 -10.468 -7.220 1.00 1.15 N ATOM 388 CA MET A 28 10.296 -11.289 -7.905 1.00 13.32 C ATOM 389 C MET A 28 11.640 -10.571 -7.976 1.00 71.21 C ATOM 390 O MET A 28 11.697 -9.351 -8.135 1.00 60.33 O ATOM 391 CB MET A 28 9.815 -11.637 -9.315 1.00 13.52 C ATOM 392 CG MET A 28 10.855 -12.366 -10.149 1.00 41.02 C ATOM 393 SD MET A 28 10.379 -12.510 -11.882 1.00 41.14 S ATOM 394 CE MET A 28 10.344 -14.290 -12.077 1.00 45.03 C ATOM 0 H MET A 28 9.047 -9.615 -7.716 1.00 1.15 H new ATOM 0 HA MET A 28 10.426 -12.209 -7.336 1.00 13.32 H new ATOM 0 HB2 MET A 28 8.921 -12.256 -9.243 1.00 13.52 H new ATOM 0 HB3 MET A 28 9.527 -10.720 -9.829 1.00 13.52 H new ATOM 0 HG2 MET A 28 11.806 -11.838 -10.080 1.00 41.02 H new ATOM 0 HG3 MET A 28 11.013 -13.362 -9.736 1.00 41.02 H new ATOM 0 HE1 MET A 28 9.772 -14.547 -12.968 1.00 45.03 H new ATOM 0 HE2 MET A 28 11.362 -14.665 -12.179 1.00 45.03 H new ATOM 0 HE3 MET A 28 9.876 -14.743 -11.203 1.00 45.03 H new ATOM 404 N THR A 29 12.721 -11.336 -7.857 1.00 1.30 N ATOM 405 CA THR A 29 14.064 -10.773 -7.906 1.00 45.34 C ATOM 406 C THR A 29 15.042 -11.739 -8.566 1.00 33.23 C ATOM 407 O THR A 29 15.262 -12.847 -8.076 1.00 31.45 O ATOM 408 CB THR A 29 14.579 -10.422 -6.497 1.00 52.04 C ATOM 409 OG1 THR A 29 13.790 -9.367 -5.936 1.00 53.15 O ATOM 410 CG2 THR A 29 16.039 -10.000 -6.544 1.00 45.21 C ATOM 0 H THR A 29 12.692 -12.347 -7.726 1.00 1.30 H new ATOM 0 HA THR A 29 14.002 -9.861 -8.499 1.00 45.34 H new ATOM 0 HB THR A 29 14.494 -11.311 -5.871 1.00 52.04 H new ATOM 0 HG1 THR A 29 12.954 -9.736 -5.582 1.00 53.15 H new ATOM 0 HG21 THR A 29 16.380 -9.757 -5.538 1.00 45.21 H new ATOM 0 HG22 THR A 29 16.641 -10.816 -6.944 1.00 45.21 H new ATOM 0 HG23 THR A 29 16.144 -9.124 -7.184 1.00 45.21 H new ATOM 418 N THR A 30 15.627 -11.313 -9.681 1.00 2.04 N ATOM 419 CA THR A 30 16.581 -12.141 -10.408 1.00 1.15 C ATOM 420 C THR A 30 18.004 -11.623 -10.233 1.00 40.42 C ATOM 421 O THR A 30 18.412 -10.668 -10.894 1.00 42.43 O ATOM 422 CB THR A 30 16.247 -12.195 -11.910 1.00 62.13 C ATOM 423 OG1 THR A 30 14.832 -12.094 -12.102 1.00 13.05 O ATOM 424 CG2 THR A 30 16.757 -13.487 -12.532 1.00 0.43 C ATOM 0 H THR A 30 15.457 -10.399 -10.100 1.00 2.04 H new ATOM 0 HA THR A 30 16.510 -13.146 -9.991 1.00 1.15 H new ATOM 0 HB THR A 30 16.740 -11.355 -12.399 1.00 62.13 H new ATOM 0 HG1 THR A 30 14.629 -12.127 -13.060 1.00 13.05 H new ATOM 0 HG21 THR A 30 16.509 -13.502 -13.593 1.00 0.43 H new ATOM 0 HG22 THR A 30 17.839 -13.547 -12.411 1.00 0.43 H new ATOM 0 HG23 THR A 30 16.289 -14.338 -12.038 1.00 0.43 H new ATOM 432 N ARG A 31 18.755 -12.258 -9.340 1.00 21.41 N ATOM 433 CA ARG A 31 20.133 -11.860 -9.079 1.00 21.43 C ATOM 434 C ARG A 31 21.109 -12.733 -9.863 1.00 10.03 C ATOM 435 O ARG A 31 21.449 -13.838 -9.439 1.00 64.23 O ATOM 436 CB ARG A 31 20.438 -11.953 -7.583 1.00 3.05 C ATOM 437 CG ARG A 31 19.938 -13.235 -6.937 1.00 50.11 C ATOM 438 CD ARG A 31 20.358 -13.325 -5.478 1.00 64.25 C ATOM 439 NE ARG A 31 20.030 -12.110 -4.738 1.00 43.21 N ATOM 440 CZ ARG A 31 20.417 -11.884 -3.487 1.00 71.34 C ATOM 441 NH1 ARG A 31 21.142 -12.787 -2.841 1.00 51.21 N ATOM 442 NH2 ARG A 31 20.079 -10.754 -2.881 1.00 13.42 N ATOM 0 H ARG A 31 18.433 -13.051 -8.785 1.00 21.41 H new ATOM 0 HA ARG A 31 20.254 -10.827 -9.404 1.00 21.43 H new ATOM 0 HB2 ARG A 31 21.515 -11.878 -7.435 1.00 3.05 H new ATOM 0 HB3 ARG A 31 19.987 -11.101 -7.075 1.00 3.05 H new ATOM 0 HG2 ARG A 31 18.851 -13.279 -7.007 1.00 50.11 H new ATOM 0 HG3 ARG A 31 20.328 -14.094 -7.483 1.00 50.11 H new ATOM 0 HD2 ARG A 31 19.865 -14.178 -5.011 1.00 64.25 H new ATOM 0 HD3 ARG A 31 21.431 -13.506 -5.420 1.00 64.25 H new ATOM 0 HE ARG A 31 19.473 -11.395 -5.207 1.00 43.21 H new ATOM 0 HH11 ARG A 31 21.404 -13.657 -3.304 1.00 51.21 H new ATOM 0 HH12 ARG A 31 21.438 -12.611 -1.881 1.00 51.21 H new ATOM 0 HH21 ARG A 31 19.521 -10.057 -3.375 1.00 13.42 H new ATOM 0 HH22 ARG A 31 20.377 -10.582 -1.921 1.00 13.42 H new ATOM 456 N THR A 32 21.556 -12.229 -11.009 1.00 71.30 N ATOM 457 CA THR A 32 22.491 -12.963 -11.853 1.00 53.42 C ATOM 458 C THR A 32 23.934 -12.613 -11.508 1.00 53.22 C ATOM 459 O THR A 32 24.365 -11.473 -11.682 1.00 40.23 O ATOM 460 CB THR A 32 22.247 -12.672 -13.346 1.00 13.40 C ATOM 461 OG1 THR A 32 20.851 -12.785 -13.646 1.00 21.54 O ATOM 462 CG2 THR A 32 23.038 -13.632 -14.221 1.00 3.11 C ATOM 0 H THR A 32 21.286 -11.316 -11.374 1.00 71.30 H new ATOM 0 HA THR A 32 22.322 -14.023 -11.665 1.00 53.42 H new ATOM 0 HB THR A 32 22.582 -11.656 -13.554 1.00 13.40 H new ATOM 0 HG1 THR A 32 20.704 -12.597 -14.597 1.00 21.54 H new ATOM 0 HG21 THR A 32 22.850 -13.407 -15.271 1.00 3.11 H new ATOM 0 HG22 THR A 32 24.102 -13.522 -14.012 1.00 3.11 H new ATOM 0 HG23 THR A 32 22.730 -14.656 -14.009 1.00 3.11 H new ATOM 470 N TYR A 33 24.676 -13.600 -11.019 1.00 51.11 N ATOM 471 CA TYR A 33 26.071 -13.395 -10.648 1.00 61.50 C ATOM 472 C TYR A 33 27.006 -14.026 -11.676 1.00 1.23 C ATOM 473 O TYR A 33 26.961 -15.233 -11.915 1.00 54.45 O ATOM 474 CB TYR A 33 26.344 -13.986 -9.264 1.00 22.03 C ATOM 475 CG TYR A 33 26.103 -15.476 -9.183 1.00 32.42 C ATOM 476 CD1 TYR A 33 24.826 -15.983 -8.976 1.00 30.33 C ATOM 477 CD2 TYR A 33 27.152 -16.378 -9.314 1.00 41.14 C ATOM 478 CE1 TYR A 33 24.601 -17.344 -8.900 1.00 62.23 C ATOM 479 CE2 TYR A 33 26.936 -17.741 -9.242 1.00 4.41 C ATOM 480 CZ TYR A 33 25.659 -18.219 -9.034 1.00 44.33 C ATOM 481 OH TYR A 33 25.439 -19.575 -8.961 1.00 63.12 O ATOM 0 H TYR A 33 24.335 -14.550 -10.870 1.00 51.11 H new ATOM 0 HA TYR A 33 26.260 -12.322 -10.622 1.00 61.50 H new ATOM 0 HB2 TYR A 33 27.378 -13.778 -8.987 1.00 22.03 H new ATOM 0 HB3 TYR A 33 25.711 -13.484 -8.533 1.00 22.03 H new ATOM 0 HD1 TYR A 33 23.995 -15.301 -8.873 1.00 30.33 H new ATOM 0 HD2 TYR A 33 28.154 -16.007 -9.475 1.00 41.14 H new ATOM 0 HE1 TYR A 33 23.602 -17.721 -8.737 1.00 62.23 H new ATOM 0 HE2 TYR A 33 27.762 -18.428 -9.348 1.00 4.41 H new ATOM 0 HH TYR A 33 26.288 -20.051 -9.076 1.00 63.12 H new ATOM 491 N TYR A 34 27.854 -13.200 -12.279 1.00 73.11 N ATOM 492 CA TYR A 34 28.799 -13.675 -13.282 1.00 43.55 C ATOM 493 C TYR A 34 30.214 -13.730 -12.715 1.00 22.15 C ATOM 494 O TYR A 34 30.775 -14.808 -12.515 1.00 33.35 O ATOM 495 CB TYR A 34 28.767 -12.767 -14.513 1.00 41.04 C ATOM 496 CG TYR A 34 27.624 -13.066 -15.457 1.00 32.15 C ATOM 497 CD1 TYR A 34 27.764 -14.002 -16.474 1.00 73.00 C ATOM 498 CD2 TYR A 34 26.404 -12.412 -15.331 1.00 63.50 C ATOM 499 CE1 TYR A 34 26.722 -14.278 -17.339 1.00 22.23 C ATOM 500 CE2 TYR A 34 25.357 -12.683 -16.190 1.00 70.40 C ATOM 501 CZ TYR A 34 25.521 -13.617 -17.192 1.00 52.33 C ATOM 502 OH TYR A 34 24.480 -13.888 -18.051 1.00 23.31 O ATOM 0 H TYR A 34 27.906 -12.199 -12.091 1.00 73.11 H new ATOM 0 HA TYR A 34 28.504 -14.683 -13.573 1.00 43.55 H new ATOM 0 HB2 TYR A 34 28.696 -11.729 -14.187 1.00 41.04 H new ATOM 0 HB3 TYR A 34 29.709 -12.868 -15.053 1.00 41.04 H new ATOM 0 HD1 TYR A 34 28.703 -14.523 -16.591 1.00 73.00 H new ATOM 0 HD2 TYR A 34 26.273 -11.680 -14.548 1.00 63.50 H new ATOM 0 HE1 TYR A 34 26.848 -15.007 -18.126 1.00 22.23 H new ATOM 0 HE2 TYR A 34 24.415 -12.167 -16.078 1.00 70.40 H new ATOM 0 HH TYR A 34 23.705 -13.338 -17.810 1.00 23.31 H new ATOM 512 N THR A 35 30.787 -12.559 -12.456 1.00 4.24 N ATOM 513 CA THR A 35 32.137 -12.472 -11.911 1.00 55.22 C ATOM 514 C THR A 35 32.133 -11.819 -10.534 1.00 14.12 C ATOM 515 O THR A 35 31.183 -11.138 -10.146 1.00 0.03 O ATOM 516 CB THR A 35 33.068 -11.673 -12.843 1.00 32.33 C ATOM 517 OG1 THR A 35 33.061 -10.290 -12.474 1.00 0.25 O ATOM 518 CG2 THR A 35 32.635 -11.818 -14.294 1.00 65.20 C ATOM 0 H THR A 35 30.337 -11.657 -12.615 1.00 4.24 H new ATOM 0 HA THR A 35 32.510 -13.493 -11.825 1.00 55.22 H new ATOM 0 HB THR A 35 34.078 -12.071 -12.740 1.00 32.33 H new ATOM 0 HG1 THR A 35 33.656 -9.789 -13.070 1.00 0.25 H new ATOM 0 HG21 THR A 35 33.307 -11.245 -14.933 1.00 65.20 H new ATOM 0 HG22 THR A 35 32.669 -12.869 -14.581 1.00 65.20 H new ATOM 0 HG23 THR A 35 31.618 -11.444 -14.409 1.00 65.20 H new ATOM 526 N PRO A 36 33.219 -12.029 -9.775 1.00 52.24 N ATOM 527 CA PRO A 36 33.365 -11.467 -8.429 1.00 71.42 C ATOM 528 C PRO A 36 33.551 -9.954 -8.449 1.00 72.02 C ATOM 529 O PRO A 36 33.594 -9.309 -7.401 1.00 4.00 O ATOM 530 CB PRO A 36 34.624 -12.154 -7.893 1.00 52.23 C ATOM 531 CG PRO A 36 35.403 -12.518 -9.109 1.00 64.04 C ATOM 532 CD PRO A 36 34.388 -12.830 -10.174 1.00 43.10 C ATOM 0 HA PRO A 36 32.478 -11.635 -7.819 1.00 71.42 H new ATOM 0 HB2 PRO A 36 35.192 -11.488 -7.243 1.00 52.23 H new ATOM 0 HB3 PRO A 36 34.373 -13.037 -7.304 1.00 52.23 H new ATOM 0 HG2 PRO A 36 36.052 -11.698 -9.417 1.00 64.04 H new ATOM 0 HG3 PRO A 36 36.045 -13.378 -8.918 1.00 64.04 H new ATOM 0 HD2 PRO A 36 34.747 -12.552 -11.165 1.00 43.10 H new ATOM 0 HD3 PRO A 36 34.154 -13.894 -10.207 1.00 43.10 H new ATOM 540 N THR A 37 33.660 -9.391 -9.649 1.00 34.42 N ATOM 541 CA THR A 37 33.841 -7.954 -9.805 1.00 45.12 C ATOM 542 C THR A 37 32.727 -7.347 -10.649 1.00 75.34 C ATOM 543 O THR A 37 32.651 -6.129 -10.812 1.00 62.35 O ATOM 544 CB THR A 37 35.199 -7.627 -10.456 1.00 53.12 C ATOM 545 OG1 THR A 37 35.490 -8.579 -11.485 1.00 45.23 O ATOM 546 CG2 THR A 37 36.312 -7.636 -9.420 1.00 1.34 C ATOM 0 H THR A 37 33.626 -9.909 -10.527 1.00 34.42 H new ATOM 0 HA THR A 37 33.811 -7.522 -8.805 1.00 45.12 H new ATOM 0 HB THR A 37 35.138 -6.629 -10.891 1.00 53.12 H new ATOM 0 HG1 THR A 37 36.354 -8.364 -11.895 1.00 45.23 H new ATOM 0 HG21 THR A 37 37.261 -7.403 -9.903 1.00 1.34 H new ATOM 0 HG22 THR A 37 36.102 -6.890 -8.654 1.00 1.34 H new ATOM 0 HG23 THR A 37 36.372 -8.622 -8.959 1.00 1.34 H new ATOM 554 N ARG A 38 31.862 -8.204 -11.183 1.00 41.14 N ATOM 555 CA ARG A 38 30.751 -7.751 -12.012 1.00 32.44 C ATOM 556 C ARG A 38 29.517 -8.620 -11.787 1.00 74.10 C ATOM 557 O ARG A 38 29.561 -9.837 -11.966 1.00 0.21 O ATOM 558 CB ARG A 38 31.144 -7.778 -13.490 1.00 25.34 C ATOM 559 CG ARG A 38 31.735 -6.469 -13.987 1.00 12.24 C ATOM 560 CD ARG A 38 30.684 -5.371 -14.045 1.00 44.20 C ATOM 561 NE ARG A 38 31.062 -4.301 -14.965 1.00 14.25 N ATOM 562 CZ ARG A 38 30.545 -3.078 -14.920 1.00 45.41 C ATOM 563 NH1 ARG A 38 29.636 -2.771 -14.006 1.00 34.23 N ATOM 564 NH2 ARG A 38 30.940 -2.158 -15.791 1.00 52.24 N ATOM 0 H ARG A 38 31.909 -9.215 -11.056 1.00 41.14 H new ATOM 0 HA ARG A 38 30.511 -6.727 -11.726 1.00 32.44 H new ATOM 0 HB2 ARG A 38 31.867 -8.577 -13.650 1.00 25.34 H new ATOM 0 HB3 ARG A 38 30.264 -8.020 -14.087 1.00 25.34 H new ATOM 0 HG2 ARG A 38 32.548 -6.162 -13.329 1.00 12.24 H new ATOM 0 HG3 ARG A 38 32.165 -6.615 -14.978 1.00 12.24 H new ATOM 0 HD2 ARG A 38 29.731 -5.798 -14.357 1.00 44.20 H new ATOM 0 HD3 ARG A 38 30.537 -4.957 -13.048 1.00 44.20 H new ATOM 0 HE ARG A 38 31.760 -4.504 -15.680 1.00 14.25 H new ATOM 0 HH11 ARG A 38 29.331 -3.475 -13.334 1.00 34.23 H new ATOM 0 HH12 ARG A 38 29.241 -1.831 -13.975 1.00 34.23 H new ATOM 0 HH21 ARG A 38 31.641 -2.390 -16.495 1.00 52.24 H new ATOM 0 HH22 ARG A 38 30.543 -1.219 -15.756 1.00 52.24 H new ATOM 578 N MET A 39 28.417 -7.986 -11.394 1.00 32.13 N ATOM 579 CA MET A 39 27.170 -8.701 -11.145 1.00 63.24 C ATOM 580 C MET A 39 25.972 -7.890 -11.629 1.00 4.24 C ATOM 581 O MET A 39 26.090 -6.697 -11.911 1.00 64.30 O ATOM 582 CB MET A 39 27.023 -9.011 -9.654 1.00 43.33 C ATOM 583 CG MET A 39 27.553 -7.910 -8.750 1.00 52.40 C ATOM 584 SD MET A 39 27.335 -8.284 -7.000 1.00 0.44 S ATOM 585 CE MET A 39 29.032 -8.567 -6.500 1.00 74.23 C ATOM 0 H MET A 39 28.364 -6.979 -11.241 1.00 32.13 H new ATOM 0 HA MET A 39 27.200 -9.638 -11.701 1.00 63.24 H new ATOM 0 HB2 MET A 39 25.970 -9.180 -9.428 1.00 43.33 H new ATOM 0 HB3 MET A 39 27.550 -9.939 -9.430 1.00 43.33 H new ATOM 0 HG2 MET A 39 28.612 -7.755 -8.955 1.00 52.40 H new ATOM 0 HG3 MET A 39 27.043 -6.976 -8.984 1.00 52.40 H new ATOM 0 HE1 MET A 39 29.063 -8.810 -5.438 1.00 74.23 H new ATOM 0 HE2 MET A 39 29.447 -9.395 -7.074 1.00 74.23 H new ATOM 0 HE3 MET A 39 29.620 -7.668 -6.683 1.00 74.23 H new ATOM 595 N LYS A 40 24.820 -8.544 -11.722 1.00 55.31 N ATOM 596 CA LYS A 40 23.599 -7.884 -12.170 1.00 42.53 C ATOM 597 C LYS A 40 22.407 -8.309 -11.320 1.00 14.24 C ATOM 598 O LYS A 40 22.329 -9.452 -10.870 1.00 35.05 O ATOM 599 CB LYS A 40 23.331 -8.207 -13.642 1.00 33.12 C ATOM 600 CG LYS A 40 24.543 -8.018 -14.537 1.00 51.32 C ATOM 601 CD LYS A 40 24.808 -6.547 -14.813 1.00 71.23 C ATOM 602 CE LYS A 40 25.866 -6.364 -15.891 1.00 31.25 C ATOM 603 NZ LYS A 40 27.112 -7.117 -15.577 1.00 42.44 N ATOM 0 H LYS A 40 24.706 -9.531 -11.493 1.00 55.31 H new ATOM 0 HA LYS A 40 23.736 -6.808 -12.059 1.00 42.53 H new ATOM 0 HB2 LYS A 40 22.988 -9.239 -13.722 1.00 33.12 H new ATOM 0 HB3 LYS A 40 22.521 -7.573 -14.003 1.00 33.12 H new ATOM 0 HG2 LYS A 40 25.418 -8.464 -14.065 1.00 51.32 H new ATOM 0 HG3 LYS A 40 24.386 -8.544 -15.479 1.00 51.32 H new ATOM 0 HD2 LYS A 40 23.883 -6.062 -15.124 1.00 71.23 H new ATOM 0 HD3 LYS A 40 25.133 -6.056 -13.896 1.00 71.23 H new ATOM 0 HE2 LYS A 40 25.470 -6.700 -16.849 1.00 31.25 H new ATOM 0 HE3 LYS A 40 26.098 -5.304 -15.996 1.00 31.25 H new ATOM 0 HZ1 LYS A 40 27.873 -6.812 -16.217 1.00 42.44 H new ATOM 0 HZ2 LYS A 40 27.392 -6.930 -14.593 1.00 42.44 H new ATOM 0 HZ3 LYS A 40 26.943 -8.136 -15.701 1.00 42.44 H new ATOM 617 N VAL A 41 21.479 -7.382 -11.104 1.00 14.20 N ATOM 618 CA VAL A 41 20.289 -7.662 -10.309 1.00 55.35 C ATOM 619 C VAL A 41 19.066 -6.956 -10.884 1.00 54.22 C ATOM 620 O VAL A 41 19.166 -5.848 -11.411 1.00 0.33 O ATOM 621 CB VAL A 41 20.477 -7.227 -8.844 1.00 20.01 C ATOM 622 CG1 VAL A 41 20.741 -5.731 -8.760 1.00 72.41 C ATOM 623 CG2 VAL A 41 19.261 -7.610 -8.015 1.00 15.55 C ATOM 0 H VAL A 41 21.528 -6.431 -11.468 1.00 14.20 H new ATOM 0 HA VAL A 41 20.133 -8.740 -10.343 1.00 55.35 H new ATOM 0 HB VAL A 41 21.344 -7.747 -8.437 1.00 20.01 H new ATOM 0 HG11 VAL A 41 20.871 -5.443 -7.717 1.00 72.41 H new ATOM 0 HG12 VAL A 41 21.645 -5.489 -9.319 1.00 72.41 H new ATOM 0 HG13 VAL A 41 19.896 -5.188 -9.184 1.00 72.41 H new ATOM 0 HG21 VAL A 41 19.411 -7.295 -6.982 1.00 15.55 H new ATOM 0 HG22 VAL A 41 18.376 -7.119 -8.419 1.00 15.55 H new ATOM 0 HG23 VAL A 41 19.124 -8.691 -8.048 1.00 15.55 H new ATOM 633 N SER A 42 17.911 -7.605 -10.779 1.00 75.00 N ATOM 634 CA SER A 42 16.667 -7.041 -11.291 1.00 62.14 C ATOM 635 C SER A 42 15.482 -7.466 -10.430 1.00 21.42 C ATOM 636 O SER A 42 15.273 -8.654 -10.184 1.00 33.44 O ATOM 637 CB SER A 42 16.443 -7.479 -12.740 1.00 34.11 C ATOM 638 OG SER A 42 17.018 -8.751 -12.983 1.00 72.20 O ATOM 0 H SER A 42 17.810 -8.522 -10.344 1.00 75.00 H new ATOM 0 HA SER A 42 16.748 -5.955 -11.255 1.00 62.14 H new ATOM 0 HB2 SER A 42 15.374 -7.513 -12.952 1.00 34.11 H new ATOM 0 HB3 SER A 42 16.879 -6.744 -13.417 1.00 34.11 H new ATOM 0 HG SER A 42 16.860 -9.009 -13.915 1.00 72.20 H new ATOM 644 N LYS A 43 14.709 -6.487 -9.974 1.00 13.03 N ATOM 645 CA LYS A 43 13.543 -6.757 -9.140 1.00 41.14 C ATOM 646 C LYS A 43 12.308 -6.048 -9.687 1.00 32.13 C ATOM 647 O LYS A 43 12.402 -4.950 -10.235 1.00 2.02 O ATOM 648 CB LYS A 43 13.805 -6.310 -7.700 1.00 64.04 C ATOM 649 CG LYS A 43 15.117 -6.825 -7.133 1.00 41.43 C ATOM 650 CD LYS A 43 16.235 -5.809 -7.303 1.00 73.23 C ATOM 651 CE LYS A 43 17.264 -5.922 -6.189 1.00 50.51 C ATOM 652 NZ LYS A 43 16.778 -5.310 -4.921 1.00 40.03 N ATOM 0 H LYS A 43 14.869 -5.498 -10.168 1.00 13.03 H new ATOM 0 HA LYS A 43 13.359 -7.831 -9.152 1.00 41.14 H new ATOM 0 HB2 LYS A 43 13.804 -5.221 -7.661 1.00 64.04 H new ATOM 0 HB3 LYS A 43 12.986 -6.652 -7.067 1.00 64.04 H new ATOM 0 HG2 LYS A 43 14.992 -7.056 -6.075 1.00 41.43 H new ATOM 0 HG3 LYS A 43 15.390 -7.755 -7.632 1.00 41.43 H new ATOM 0 HD2 LYS A 43 16.722 -5.960 -8.266 1.00 73.23 H new ATOM 0 HD3 LYS A 43 15.816 -4.803 -7.312 1.00 73.23 H new ATOM 0 HE2 LYS A 43 17.500 -6.972 -6.018 1.00 50.51 H new ATOM 0 HE3 LYS A 43 18.188 -5.433 -6.497 1.00 50.51 H new ATOM 0 HZ1 LYS A 43 17.034 -5.922 -4.120 1.00 40.03 H new ATOM 0 HZ2 LYS A 43 17.216 -4.375 -4.796 1.00 40.03 H new ATOM 0 HZ3 LYS A 43 15.744 -5.205 -4.960 1.00 40.03 H new ATOM 666 N SER A 44 11.150 -6.683 -9.532 1.00 42.24 N ATOM 667 CA SER A 44 9.896 -6.114 -10.012 1.00 44.45 C ATOM 668 C SER A 44 8.701 -6.853 -9.419 1.00 24.32 C ATOM 669 O SER A 44 8.857 -7.884 -8.763 1.00 4.42 O ATOM 670 CB SER A 44 9.838 -6.170 -11.540 1.00 61.12 C ATOM 671 OG SER A 44 9.711 -7.506 -11.997 1.00 0.34 O ATOM 0 H SER A 44 11.055 -7.591 -9.078 1.00 42.24 H new ATOM 0 HA SER A 44 9.852 -5.073 -9.691 1.00 44.45 H new ATOM 0 HB2 SER A 44 8.995 -5.579 -11.897 1.00 61.12 H new ATOM 0 HB3 SER A 44 10.740 -5.724 -11.958 1.00 61.12 H new ATOM 0 HG SER A 44 9.674 -7.515 -12.976 1.00 0.34 H new ATOM 677 N CYS A 45 7.507 -6.320 -9.654 1.00 2.01 N ATOM 678 CA CYS A 45 6.284 -6.927 -9.143 1.00 61.13 C ATOM 679 C CYS A 45 5.652 -7.840 -10.190 1.00 52.22 C ATOM 680 O CYS A 45 5.355 -7.411 -11.306 1.00 23.35 O ATOM 681 CB CYS A 45 5.288 -5.844 -8.727 1.00 15.44 C ATOM 682 SG CYS A 45 5.441 -5.321 -6.988 1.00 60.12 S ATOM 0 H CYS A 45 7.360 -5.468 -10.196 1.00 2.01 H new ATOM 0 HA CYS A 45 6.542 -7.528 -8.271 1.00 61.13 H new ATOM 0 HB2 CYS A 45 5.424 -4.974 -9.370 1.00 15.44 H new ATOM 0 HB3 CYS A 45 4.276 -6.211 -8.897 1.00 15.44 H new ATOM 687 N VAL A 46 5.448 -9.101 -9.822 1.00 50.22 N ATOM 688 CA VAL A 46 4.850 -10.074 -10.728 1.00 32.20 C ATOM 689 C VAL A 46 3.749 -10.868 -10.033 1.00 24.02 C ATOM 690 O VAL A 46 3.758 -11.055 -8.816 1.00 5.31 O ATOM 691 CB VAL A 46 5.905 -11.053 -11.277 1.00 1.23 C ATOM 692 CG1 VAL A 46 6.956 -10.307 -12.084 1.00 44.13 C ATOM 693 CG2 VAL A 46 6.549 -11.834 -10.141 1.00 15.21 C ATOM 0 H VAL A 46 5.688 -9.472 -8.903 1.00 50.22 H new ATOM 0 HA VAL A 46 4.421 -9.512 -11.557 1.00 32.20 H new ATOM 0 HB VAL A 46 5.408 -11.762 -11.939 1.00 1.23 H new ATOM 0 HG11 VAL A 46 7.693 -11.015 -12.464 1.00 44.13 H new ATOM 0 HG12 VAL A 46 6.478 -9.797 -12.920 1.00 44.13 H new ATOM 0 HG13 VAL A 46 7.451 -9.574 -11.447 1.00 44.13 H new ATOM 0 HG21 VAL A 46 7.292 -12.521 -10.547 1.00 15.21 H new ATOM 0 HG22 VAL A 46 7.033 -11.142 -9.452 1.00 15.21 H new ATOM 0 HG23 VAL A 46 5.784 -12.400 -9.609 1.00 15.21 H new ATOM 703 N PRO A 47 2.777 -11.348 -10.822 1.00 62.23 N ATOM 704 CA PRO A 47 1.651 -12.131 -10.305 1.00 23.24 C ATOM 705 C PRO A 47 2.079 -13.514 -9.825 1.00 11.15 C ATOM 706 O PRO A 47 1.671 -13.963 -8.753 1.00 72.14 O ATOM 707 CB PRO A 47 0.717 -12.249 -11.511 1.00 71.42 C ATOM 708 CG PRO A 47 1.609 -12.109 -12.696 1.00 53.22 C ATOM 709 CD PRO A 47 2.703 -11.164 -12.281 1.00 74.14 C ATOM 0 HA PRO A 47 1.191 -11.659 -9.437 1.00 23.24 H new ATOM 0 HB2 PRO A 47 0.198 -13.207 -11.517 1.00 71.42 H new ATOM 0 HB3 PRO A 47 -0.048 -11.472 -11.497 1.00 71.42 H new ATOM 0 HG2 PRO A 47 2.019 -13.075 -12.992 1.00 53.22 H new ATOM 0 HG3 PRO A 47 1.061 -11.719 -13.553 1.00 53.22 H new ATOM 0 HD2 PRO A 47 3.649 -11.407 -12.765 1.00 74.14 H new ATOM 0 HD3 PRO A 47 2.465 -10.133 -12.545 1.00 74.14 H new ATOM 717 N ARG A 48 2.903 -14.184 -10.623 1.00 43.22 N ATOM 718 CA ARG A 48 3.385 -15.516 -10.279 1.00 64.05 C ATOM 719 C ARG A 48 4.888 -15.629 -10.519 1.00 61.05 C ATOM 720 O ARG A 48 5.343 -15.681 -11.663 1.00 0.14 O ATOM 721 CB ARG A 48 2.646 -16.576 -11.098 1.00 63.11 C ATOM 722 CG ARG A 48 1.201 -16.777 -10.672 1.00 2.32 C ATOM 723 CD ARG A 48 0.538 -17.895 -11.460 1.00 21.41 C ATOM 724 NE ARG A 48 -0.825 -18.153 -11.004 1.00 12.34 N ATOM 725 CZ ARG A 48 -1.116 -18.872 -9.926 1.00 22.54 C ATOM 726 NH1 ARG A 48 -0.144 -19.403 -9.197 1.00 23.22 N ATOM 727 NH2 ARG A 48 -2.381 -19.062 -9.574 1.00 73.24 N ATOM 0 H ARG A 48 3.251 -13.826 -11.513 1.00 43.22 H new ATOM 0 HA ARG A 48 3.190 -15.684 -9.220 1.00 64.05 H new ATOM 0 HB2 ARG A 48 2.670 -16.292 -12.150 1.00 63.11 H new ATOM 0 HB3 ARG A 48 3.176 -17.524 -11.012 1.00 63.11 H new ATOM 0 HG2 ARG A 48 1.163 -17.009 -9.608 1.00 2.32 H new ATOM 0 HG3 ARG A 48 0.646 -15.850 -10.816 1.00 2.32 H new ATOM 0 HD2 ARG A 48 0.523 -17.633 -12.518 1.00 21.41 H new ATOM 0 HD3 ARG A 48 1.130 -18.805 -11.366 1.00 21.41 H new ATOM 0 HE ARG A 48 -1.596 -17.759 -11.543 1.00 12.34 H new ATOM 0 HH11 ARG A 48 0.830 -19.260 -9.464 1.00 23.22 H new ATOM 0 HH12 ARG A 48 -0.370 -19.955 -8.370 1.00 23.22 H new ATOM 0 HH21 ARG A 48 -3.132 -18.656 -10.132 1.00 73.24 H new ATOM 0 HH22 ARG A 48 -2.602 -19.615 -8.746 1.00 73.24 H new ATOM 741 N CYS A 49 5.654 -15.666 -9.434 1.00 61.23 N ATOM 742 CA CYS A 49 7.105 -15.772 -9.525 1.00 43.04 C ATOM 743 C CYS A 49 7.558 -17.219 -9.348 1.00 15.41 C ATOM 744 O CYS A 49 7.044 -17.941 -8.493 1.00 53.33 O ATOM 745 CB CYS A 49 7.769 -14.885 -8.470 1.00 64.40 C ATOM 746 SG CYS A 49 9.553 -15.190 -8.259 1.00 0.23 S ATOM 0 H CYS A 49 5.294 -15.624 -8.481 1.00 61.23 H new ATOM 0 HA CYS A 49 7.407 -15.435 -10.516 1.00 43.04 H new ATOM 0 HB2 CYS A 49 7.620 -13.840 -8.743 1.00 64.40 H new ATOM 0 HB3 CYS A 49 7.269 -15.040 -7.514 1.00 64.40 H new ATOM 937 N SER A 62 22.228 -17.530 -11.997 1.00 33.41 N ATOM 938 CA SER A 62 21.143 -16.618 -11.655 1.00 74.12 C ATOM 939 C SER A 62 20.131 -17.297 -10.737 1.00 71.10 C ATOM 940 O SER A 62 19.736 -18.441 -10.966 1.00 11.12 O ATOM 941 CB SER A 62 20.445 -16.123 -12.924 1.00 24.31 C ATOM 942 OG SER A 62 19.077 -15.848 -12.679 1.00 71.45 O ATOM 0 HA SER A 62 21.571 -15.765 -11.128 1.00 74.12 H new ATOM 0 HB2 SER A 62 20.941 -15.223 -13.288 1.00 24.31 H new ATOM 0 HB3 SER A 62 20.533 -16.875 -13.708 1.00 24.31 H new ATOM 0 HG SER A 62 18.654 -15.532 -13.505 1.00 71.45 H new ATOM 948 N THR A 63 19.714 -16.584 -9.695 1.00 44.33 N ATOM 949 CA THR A 63 18.750 -17.116 -8.741 1.00 50.20 C ATOM 950 C THR A 63 17.535 -16.203 -8.620 1.00 71.34 C ATOM 951 O THR A 63 17.670 -14.991 -8.451 1.00 14.02 O ATOM 952 CB THR A 63 19.381 -17.299 -7.348 1.00 13.23 C ATOM 953 OG1 THR A 63 20.426 -16.340 -7.153 1.00 40.44 O ATOM 954 CG2 THR A 63 19.939 -18.705 -7.187 1.00 2.42 C ATOM 0 H THR A 63 20.030 -15.636 -9.491 1.00 44.33 H new ATOM 0 HA THR A 63 18.434 -18.088 -9.119 1.00 50.20 H new ATOM 0 HB THR A 63 18.604 -17.146 -6.599 1.00 13.23 H new ATOM 0 HG1 THR A 63 20.821 -16.462 -6.264 1.00 40.44 H new ATOM 0 HG21 THR A 63 20.379 -18.810 -6.196 1.00 2.42 H new ATOM 0 HG22 THR A 63 19.135 -19.431 -7.306 1.00 2.42 H new ATOM 0 HG23 THR A 63 20.703 -18.882 -7.944 1.00 2.42 H new ATOM 962 N THR A 64 16.347 -16.793 -8.708 1.00 55.02 N ATOM 963 CA THR A 64 15.107 -16.033 -8.609 1.00 50.13 C ATOM 964 C THR A 64 14.496 -16.157 -7.218 1.00 54.44 C ATOM 965 O THR A 64 14.365 -17.257 -6.683 1.00 61.40 O ATOM 966 CB THR A 64 14.076 -16.501 -9.654 1.00 43.42 C ATOM 967 OG1 THR A 64 14.663 -16.490 -10.960 1.00 43.43 O ATOM 968 CG2 THR A 64 12.846 -15.606 -9.638 1.00 73.52 C ATOM 0 H THR A 64 16.217 -17.795 -8.848 1.00 55.02 H new ATOM 0 HA THR A 64 15.359 -14.990 -8.800 1.00 50.13 H new ATOM 0 HB THR A 64 13.771 -17.517 -9.402 1.00 43.42 H new ATOM 0 HG1 THR A 64 14.002 -16.790 -11.618 1.00 43.43 H new ATOM 0 HG21 THR A 64 12.132 -15.955 -10.384 1.00 73.52 H new ATOM 0 HG22 THR A 64 12.385 -15.639 -8.651 1.00 73.52 H new ATOM 0 HG23 THR A 64 13.139 -14.581 -9.868 1.00 73.52 H new ATOM 976 N SER A 65 14.122 -15.021 -6.638 1.00 54.22 N ATOM 977 CA SER A 65 13.526 -15.002 -5.307 1.00 62.22 C ATOM 978 C SER A 65 12.072 -14.544 -5.369 1.00 4.22 C ATOM 979 O SER A 65 11.758 -13.517 -5.972 1.00 34.33 O ATOM 980 CB SER A 65 14.324 -14.082 -4.381 1.00 62.03 C ATOM 981 OG SER A 65 15.401 -14.777 -3.777 1.00 2.44 O ATOM 0 H SER A 65 14.221 -14.102 -7.069 1.00 54.22 H new ATOM 0 HA SER A 65 13.552 -16.017 -4.910 1.00 62.22 H new ATOM 0 HB2 SER A 65 14.707 -13.233 -4.948 1.00 62.03 H new ATOM 0 HB3 SER A 65 13.668 -13.680 -3.609 1.00 62.03 H new ATOM 0 HG SER A 65 15.897 -14.167 -3.191 1.00 2.44 H new ATOM 987 N CYS A 66 11.189 -15.313 -4.740 1.00 42.54 N ATOM 988 CA CYS A 66 9.768 -14.988 -4.723 1.00 20.03 C ATOM 989 C CYS A 66 9.258 -14.855 -3.291 1.00 4.55 C ATOM 990 O CYS A 66 9.563 -15.682 -2.431 1.00 65.34 O ATOM 991 CB CYS A 66 8.969 -16.063 -5.462 1.00 32.01 C ATOM 992 SG CYS A 66 9.785 -16.696 -6.963 1.00 14.41 S ATOM 0 H CYS A 66 11.433 -16.165 -4.236 1.00 42.54 H new ATOM 0 HA CYS A 66 9.633 -14.032 -5.229 1.00 20.03 H new ATOM 0 HB2 CYS A 66 8.785 -16.895 -4.783 1.00 32.01 H new ATOM 0 HB3 CYS A 66 7.996 -15.654 -5.735 1.00 32.01 H new ATOM 997 N CYS A 67 8.480 -13.807 -3.041 1.00 0.13 N ATOM 998 CA CYS A 67 7.927 -13.563 -1.714 1.00 24.32 C ATOM 999 C CYS A 67 6.661 -12.716 -1.799 1.00 43.41 C ATOM 1000 O CYS A 67 6.301 -12.227 -2.870 1.00 21.42 O ATOM 1001 CB CYS A 67 8.962 -12.867 -0.828 1.00 11.14 C ATOM 1002 SG CYS A 67 9.968 -11.622 -1.697 1.00 43.00 S ATOM 0 H CYS A 67 8.218 -13.113 -3.741 1.00 0.13 H new ATOM 0 HA CYS A 67 7.669 -14.526 -1.272 1.00 24.32 H new ATOM 0 HB2 CYS A 67 8.448 -12.386 0.004 1.00 11.14 H new ATOM 0 HB3 CYS A 67 9.624 -13.620 -0.401 1.00 11.14 H new ATOM 1007 N GLN A 68 5.992 -12.546 -0.664 1.00 11.15 N ATOM 1008 CA GLN A 68 4.766 -11.758 -0.610 1.00 43.23 C ATOM 1009 C GLN A 68 4.815 -10.753 0.536 1.00 52.33 C ATOM 1010 O GLN A 68 3.800 -10.153 0.892 1.00 21.22 O ATOM 1011 CB GLN A 68 3.552 -12.674 -0.450 1.00 22.34 C ATOM 1012 CG GLN A 68 2.280 -12.113 -1.065 1.00 4.14 C ATOM 1013 CD GLN A 68 1.467 -11.297 -0.080 1.00 12.23 C ATOM 1014 OE1 GLN A 68 1.107 -11.778 0.995 1.00 21.12 O ATOM 1015 NE2 GLN A 68 1.172 -10.054 -0.442 1.00 12.33 N ATOM 0 H GLN A 68 6.278 -12.943 0.231 1.00 11.15 H new ATOM 0 HA GLN A 68 4.676 -11.209 -1.547 1.00 43.23 H new ATOM 0 HB2 GLN A 68 3.772 -13.638 -0.908 1.00 22.34 H new ATOM 0 HB3 GLN A 68 3.383 -12.856 0.611 1.00 22.34 H new ATOM 0 HG2 GLN A 68 2.539 -11.490 -1.921 1.00 4.14 H new ATOM 0 HG3 GLN A 68 1.670 -12.934 -1.442 1.00 4.14 H new ATOM 0 HE21 GLN A 68 1.491 -9.696 -1.342 1.00 12.33 H new ATOM 0 HE22 GLN A 68 0.627 -9.457 0.180 1.00 12.33 H new ATOM 1024 N TYR A 69 6.000 -10.574 1.109 1.00 55.50 N ATOM 1025 CA TYR A 69 6.180 -9.643 2.217 1.00 54.11 C ATOM 1026 C TYR A 69 6.674 -8.289 1.716 1.00 33.03 C ATOM 1027 O TYR A 69 7.458 -8.213 0.770 1.00 0.25 O ATOM 1028 CB TYR A 69 7.168 -10.214 3.235 1.00 71.30 C ATOM 1029 CG TYR A 69 7.768 -9.170 4.148 1.00 5.41 C ATOM 1030 CD1 TYR A 69 6.973 -8.448 5.029 1.00 34.01 C ATOM 1031 CD2 TYR A 69 9.132 -8.905 4.130 1.00 4.25 C ATOM 1032 CE1 TYR A 69 7.517 -7.492 5.865 1.00 61.14 C ATOM 1033 CE2 TYR A 69 9.686 -7.952 4.963 1.00 11.34 C ATOM 1034 CZ TYR A 69 8.874 -7.248 5.828 1.00 1.32 C ATOM 1035 OH TYR A 69 9.421 -6.297 6.660 1.00 74.31 O ATOM 0 H TYR A 69 6.850 -11.061 0.825 1.00 55.50 H new ATOM 0 HA TYR A 69 5.213 -9.501 2.700 1.00 54.11 H new ATOM 0 HB2 TYR A 69 6.660 -10.965 3.840 1.00 71.30 H new ATOM 0 HB3 TYR A 69 7.971 -10.724 2.703 1.00 71.30 H new ATOM 0 HD1 TYR A 69 5.910 -8.637 5.061 1.00 34.01 H new ATOM 0 HD2 TYR A 69 9.770 -9.454 3.453 1.00 4.25 H new ATOM 0 HE1 TYR A 69 6.884 -6.939 6.543 1.00 61.14 H new ATOM 0 HE2 TYR A 69 10.748 -7.759 4.937 1.00 11.34 H new ATOM 0 HH TYR A 69 10.388 -6.249 6.510 1.00 74.31 H new ATOM 1045 N ASP A 70 6.209 -7.223 2.359 1.00 61.05 N ATOM 1046 CA ASP A 70 6.604 -5.871 1.981 1.00 10.21 C ATOM 1047 C ASP A 70 8.123 -5.729 1.979 1.00 12.22 C ATOM 1048 O ASP A 70 8.792 -6.094 2.946 1.00 25.23 O ATOM 1049 CB ASP A 70 5.985 -4.850 2.938 1.00 61.25 C ATOM 1050 CG ASP A 70 4.492 -4.692 2.728 1.00 31.15 C ATOM 1051 OD1 ASP A 70 4.095 -4.126 1.688 1.00 13.35 O ATOM 1052 OD2 ASP A 70 3.720 -5.136 3.604 1.00 4.43 O ATOM 0 H ASP A 70 5.559 -7.269 3.144 1.00 61.05 H new ATOM 0 HA ASP A 70 6.238 -5.681 0.972 1.00 10.21 H new ATOM 0 HB2 ASP A 70 6.174 -5.159 3.966 1.00 61.25 H new ATOM 0 HB3 ASP A 70 6.473 -3.885 2.800 1.00 61.25 H new ATOM 1057 N LEU A 71 8.661 -5.197 0.887 1.00 33.11 N ATOM 1058 CA LEU A 71 10.101 -5.008 0.758 1.00 4.53 C ATOM 1059 C LEU A 71 10.854 -6.279 1.138 1.00 0.30 C ATOM 1060 O LEU A 71 11.942 -6.221 1.711 1.00 2.05 O ATOM 1061 CB LEU A 71 10.563 -3.845 1.639 1.00 25.31 C ATOM 1062 CG LEU A 71 9.736 -2.563 1.547 1.00 35.01 C ATOM 1063 CD1 LEU A 71 10.401 -1.441 2.328 1.00 1.33 C ATOM 1064 CD2 LEU A 71 9.538 -2.159 0.093 1.00 33.14 C ATOM 0 H LEU A 71 8.121 -4.889 0.078 1.00 33.11 H new ATOM 0 HA LEU A 71 10.320 -4.776 -0.284 1.00 4.53 H new ATOM 0 HB2 LEU A 71 10.563 -4.179 2.676 1.00 25.31 H new ATOM 0 HB3 LEU A 71 11.595 -3.607 1.380 1.00 25.31 H new ATOM 0 HG LEU A 71 8.757 -2.753 1.987 1.00 35.01 H new ATOM 0 HD11 LEU A 71 9.798 -0.537 2.251 1.00 1.33 H new ATOM 0 HD12 LEU A 71 10.490 -1.730 3.375 1.00 1.33 H new ATOM 0 HD13 LEU A 71 11.393 -1.251 1.919 1.00 1.33 H new ATOM 0 HD21 LEU A 71 8.947 -1.244 0.047 1.00 33.14 H new ATOM 0 HD22 LEU A 71 10.509 -1.988 -0.372 1.00 33.14 H new ATOM 0 HD23 LEU A 71 9.016 -2.955 -0.438 1.00 33.14 H new ATOM 1076 N CYS A 72 10.268 -7.426 0.813 1.00 64.33 N ATOM 1077 CA CYS A 72 10.883 -8.713 1.117 1.00 4.55 C ATOM 1078 C CYS A 72 12.172 -8.901 0.323 1.00 62.25 C ATOM 1079 O CYS A 72 13.126 -9.513 0.802 1.00 14.25 O ATOM 1080 CB CYS A 72 9.910 -9.852 0.810 1.00 22.31 C ATOM 1081 SG CYS A 72 9.353 -9.907 -0.923 1.00 71.14 S ATOM 0 H CYS A 72 9.367 -7.491 0.339 1.00 64.33 H new ATOM 0 HA CYS A 72 11.126 -8.729 2.179 1.00 4.55 H new ATOM 0 HB2 CYS A 72 10.388 -10.800 1.057 1.00 22.31 H new ATOM 0 HB3 CYS A 72 9.039 -9.756 1.458 1.00 22.31 H new ATOM 1086 N ASN A 73 12.192 -8.371 -0.896 1.00 43.20 N ATOM 1087 CA ASN A 73 13.363 -8.481 -1.758 1.00 45.32 C ATOM 1088 C ASN A 73 14.384 -7.395 -1.430 1.00 63.41 C ATOM 1089 O ASN A 73 15.553 -7.494 -1.803 1.00 35.21 O ATOM 1090 CB ASN A 73 12.951 -8.381 -3.228 1.00 64.43 C ATOM 1091 CG ASN A 73 12.285 -7.058 -3.554 1.00 24.41 C ATOM 1092 OD1 ASN A 73 12.017 -6.250 -2.665 1.00 22.32 O ATOM 1093 ND2 ASN A 73 12.015 -6.832 -4.834 1.00 51.31 N ATOM 0 H ASN A 73 11.411 -7.861 -1.309 1.00 43.20 H new ATOM 0 HA ASN A 73 13.823 -9.453 -1.581 1.00 45.32 H new ATOM 0 HB2 ASN A 73 13.831 -8.506 -3.858 1.00 64.43 H new ATOM 0 HB3 ASN A 73 12.269 -9.197 -3.467 1.00 64.43 H new ATOM 0 HD21 ASN A 73 11.567 -5.959 -5.114 1.00 51.31 H new ATOM 0 HD22 ASN A 73 12.255 -7.531 -5.537 1.00 51.31 H new ATOM 1100 N GLY A 74 13.934 -6.359 -0.729 1.00 30.32 N ATOM 1101 CA GLY A 74 14.820 -5.271 -0.362 1.00 4.53 C ATOM 1102 C GLY A 74 15.386 -4.551 -1.570 1.00 25.11 C ATOM 1103 O GLY A 74 16.601 -4.394 -1.694 1.00 51.31 O ATOM 0 H GLY A 74 12.971 -6.254 -0.409 1.00 30.32 H new ATOM 0 HA2 GLY A 74 14.278 -4.559 0.260 1.00 4.53 H new ATOM 0 HA3 GLY A 74 15.640 -5.662 0.241 1.00 4.53 H new