USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=20 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 5 HIS : no HD1:sc= -0.955 K(o=-1.5,f=-4.3!) USER MOD Set 1.2: A 73 ASN : amide:sc= -0.558 K(o=-1.5,f=-13!) USER MOD Set 2.1: A 10 ASN : amide:sc= -1.45! X(o=-1.1!,f=-1.2) USER MOD Set 2.2: A 40 LYS NZ :NH3+ -169:sc= 0.306 (180deg=-0.117) USER MOD Set 3.1: A 35 THR OG1 : rot 180:sc= -0.748 USER MOD Set 3.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 29 THR OG1 : rot 100:sc= -0.989 USER MOD Set 4.2: A 43 LYS NZ :NH3+ 148:sc= -0.384 (180deg=-1.44!) USER MOD Set 5.1: A 28 MET CE :methyl -129:sc= -0.906 (180deg=0) USER MOD Set 5.2: A 30 THR OG1 : rot -90:sc= -0.619 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.297 X(o=-0.3,f=-0.23) USER MOD Single : A 16 ASN : amide:sc= -0.142 K(o=-0.14,f=-2!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 173:sc= 0 (180deg=-0.052) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.714 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.312 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 23:sc= -0.577 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.681 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.742 USER MOD Single : A 65 SER OG : rot 180:sc= -0.696 USER MOD Single : A 68 GLN : amide:sc= -1.77 K(o=-1.8,f=-3.6!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 0.562 -5.184 -2.373 1.00 61.23 N ATOM 19 CA LEU A 2 1.879 -5.516 -1.841 1.00 62.42 C ATOM 20 C LEU A 2 2.932 -4.531 -2.339 1.00 60.52 C ATOM 21 O LEU A 2 2.819 -3.990 -3.439 1.00 71.11 O ATOM 22 CB LEU A 2 2.268 -6.941 -2.240 1.00 73.04 C ATOM 23 CG LEU A 2 3.629 -7.429 -1.744 1.00 62.43 C ATOM 24 CD1 LEU A 2 3.603 -7.643 -0.239 1.00 24.51 C ATOM 25 CD2 LEU A 2 4.029 -8.711 -2.460 1.00 62.24 C ATOM 0 HA LEU A 2 1.831 -5.450 -0.754 1.00 62.42 H new ATOM 0 HB2 LEU A 2 1.503 -7.623 -1.869 1.00 73.04 H new ATOM 0 HB3 LEU A 2 2.255 -7.009 -3.328 1.00 73.04 H new ATOM 0 HG LEU A 2 4.372 -6.664 -1.969 1.00 62.43 H new ATOM 0 HD11 LEU A 2 4.580 -7.990 0.096 1.00 24.51 H new ATOM 0 HD12 LEU A 2 3.362 -6.703 0.258 1.00 24.51 H new ATOM 0 HD13 LEU A 2 2.848 -8.389 0.009 1.00 24.51 H new ATOM 0 HD21 LEU A 2 5.000 -9.044 -2.094 1.00 62.24 H new ATOM 0 HD22 LEU A 2 3.284 -9.483 -2.267 1.00 62.24 H new ATOM 0 HD23 LEU A 2 4.089 -8.525 -3.532 1.00 62.24 H new ATOM 37 N ASP A 3 3.956 -4.306 -1.524 1.00 0.43 N ATOM 38 CA ASP A 3 5.031 -3.388 -1.883 1.00 25.44 C ATOM 39 C ASP A 3 6.375 -4.111 -1.911 1.00 11.44 C ATOM 40 O ASP A 3 6.663 -4.942 -1.049 1.00 40.01 O ATOM 41 CB ASP A 3 5.086 -2.222 -0.895 1.00 41.43 C ATOM 42 CG ASP A 3 3.713 -1.826 -0.389 1.00 73.44 C ATOM 43 OD1 ASP A 3 3.128 -2.595 0.402 1.00 32.24 O ATOM 44 OD2 ASP A 3 3.223 -0.748 -0.785 1.00 0.15 O ATOM 0 H ASP A 3 4.065 -4.746 -0.610 1.00 0.43 H new ATOM 0 HA ASP A 3 4.826 -2.999 -2.880 1.00 25.44 H new ATOM 0 HB2 ASP A 3 5.717 -2.496 -0.049 1.00 41.43 H new ATOM 0 HB3 ASP A 3 5.554 -1.363 -1.377 1.00 41.43 H new ATOM 49 N CYS A 4 7.193 -3.789 -2.907 1.00 3.43 N ATOM 50 CA CYS A 4 8.506 -4.407 -3.049 1.00 12.10 C ATOM 51 C CYS A 4 9.457 -3.494 -3.817 1.00 50.30 C ATOM 52 O CYS A 4 9.055 -2.446 -4.324 1.00 1.21 O ATOM 53 CB CYS A 4 8.384 -5.753 -3.766 1.00 34.02 C ATOM 54 SG CYS A 4 8.141 -7.171 -2.648 1.00 63.25 S ATOM 0 H CYS A 4 6.970 -3.103 -3.628 1.00 3.43 H new ATOM 0 HA CYS A 4 8.913 -4.570 -2.051 1.00 12.10 H new ATOM 0 HB2 CYS A 4 7.548 -5.707 -4.464 1.00 34.02 H new ATOM 0 HB3 CYS A 4 9.284 -5.920 -4.358 1.00 34.02 H new ATOM 59 N HIS A 5 10.720 -3.899 -3.899 1.00 44.11 N ATOM 60 CA HIS A 5 11.729 -3.118 -4.606 1.00 43.00 C ATOM 61 C HIS A 5 11.700 -3.419 -6.102 1.00 14.35 C ATOM 62 O HIS A 5 11.975 -4.541 -6.525 1.00 63.31 O ATOM 63 CB HIS A 5 13.120 -3.412 -4.042 1.00 73.33 C ATOM 64 CG HIS A 5 13.313 -2.924 -2.640 1.00 20.13 C ATOM 65 ND1 HIS A 5 13.465 -1.591 -2.321 1.00 22.21 N ATOM 66 CD2 HIS A 5 13.377 -3.599 -1.468 1.00 73.22 C ATOM 67 CE1 HIS A 5 13.616 -1.468 -1.014 1.00 51.33 C ATOM 68 NE2 HIS A 5 13.566 -2.672 -0.473 1.00 55.44 N ATOM 0 H HIS A 5 11.069 -4.763 -3.485 1.00 44.11 H new ATOM 0 HA HIS A 5 11.502 -2.062 -4.461 1.00 43.00 H new ATOM 0 HB2 HIS A 5 13.295 -4.487 -4.071 1.00 73.33 H new ATOM 0 HB3 HIS A 5 13.869 -2.950 -4.685 1.00 73.33 H new ATOM 0 HD2 HIS A 5 13.295 -4.668 -1.340 1.00 73.22 H new ATOM 0 HE1 HIS A 5 13.756 -0.540 -0.479 1.00 51.33 H new ATOM 0 HE2 HIS A 5 13.654 -2.879 0.522 1.00 55.44 H new ATOM 76 N VAL A 6 11.362 -2.408 -6.897 1.00 25.41 N ATOM 77 CA VAL A 6 11.297 -2.564 -8.345 1.00 71.41 C ATOM 78 C VAL A 6 12.373 -1.735 -9.036 1.00 62.14 C ATOM 79 O VAL A 6 12.239 -0.519 -9.180 1.00 62.40 O ATOM 80 CB VAL A 6 9.917 -2.153 -8.892 1.00 60.20 C ATOM 81 CG1 VAL A 6 9.880 -2.290 -10.406 1.00 62.44 C ATOM 82 CG2 VAL A 6 8.819 -2.985 -8.246 1.00 41.13 C ATOM 0 H VAL A 6 11.129 -1.473 -6.562 1.00 25.41 H new ATOM 0 HA VAL A 6 11.464 -3.620 -8.558 1.00 71.41 H new ATOM 0 HB VAL A 6 9.743 -1.106 -8.642 1.00 60.20 H new ATOM 0 HG11 VAL A 6 8.897 -1.995 -10.774 1.00 62.44 H new ATOM 0 HG12 VAL A 6 10.641 -1.647 -10.848 1.00 62.44 H new ATOM 0 HG13 VAL A 6 10.075 -3.326 -10.682 1.00 62.44 H new ATOM 0 HG21 VAL A 6 7.851 -2.681 -8.644 1.00 41.13 H new ATOM 0 HG22 VAL A 6 8.986 -4.040 -8.464 1.00 41.13 H new ATOM 0 HG23 VAL A 6 8.832 -2.830 -7.167 1.00 41.13 H new ATOM 92 N CYS A 7 13.441 -2.400 -9.464 1.00 22.00 N ATOM 93 CA CYS A 7 14.542 -1.726 -10.141 1.00 41.41 C ATOM 94 C CYS A 7 15.586 -2.732 -10.616 1.00 44.45 C ATOM 95 O CYS A 7 15.410 -3.941 -10.471 1.00 54.32 O ATOM 96 CB CYS A 7 15.192 -0.702 -9.208 1.00 11.11 C ATOM 97 SG CYS A 7 15.882 -1.419 -7.683 1.00 24.55 S ATOM 0 H CYS A 7 13.567 -3.406 -9.354 1.00 22.00 H new ATOM 0 HA CYS A 7 14.138 -1.209 -11.012 1.00 41.41 H new ATOM 0 HB2 CYS A 7 15.988 -0.188 -9.748 1.00 11.11 H new ATOM 0 HB3 CYS A 7 14.451 0.051 -8.940 1.00 11.11 H new ATOM 102 N ALA A 8 16.675 -2.223 -11.185 1.00 14.42 N ATOM 103 CA ALA A 8 17.748 -3.075 -11.679 1.00 62.44 C ATOM 104 C ALA A 8 19.082 -2.335 -11.679 1.00 75.41 C ATOM 105 O ALA A 8 19.156 -1.170 -12.068 1.00 54.41 O ATOM 106 CB ALA A 8 17.421 -3.578 -13.078 1.00 4.21 C ATOM 0 H ALA A 8 16.836 -1.224 -11.315 1.00 14.42 H new ATOM 0 HA ALA A 8 17.837 -3.930 -11.009 1.00 62.44 H new ATOM 0 HB1 ALA A 8 18.231 -4.214 -13.435 1.00 4.21 H new ATOM 0 HB2 ALA A 8 16.495 -4.152 -13.051 1.00 4.21 H new ATOM 0 HB3 ALA A 8 17.302 -2.729 -13.751 1.00 4.21 H new ATOM 112 N TYR A 9 20.132 -3.019 -11.240 1.00 22.31 N ATOM 113 CA TYR A 9 21.463 -2.425 -11.186 1.00 73.32 C ATOM 114 C TYR A 9 22.542 -3.487 -11.375 1.00 35.45 C ATOM 115 O TYR A 9 22.465 -4.574 -10.803 1.00 10.14 O ATOM 116 CB TYR A 9 21.669 -1.704 -9.853 1.00 74.01 C ATOM 117 CG TYR A 9 23.038 -1.079 -9.708 1.00 31.52 C ATOM 118 CD1 TYR A 9 23.416 0.004 -10.491 1.00 71.01 C ATOM 119 CD2 TYR A 9 23.953 -1.572 -8.786 1.00 64.51 C ATOM 120 CE1 TYR A 9 24.666 0.577 -10.362 1.00 41.01 C ATOM 121 CE2 TYR A 9 25.205 -1.005 -8.649 1.00 44.31 C ATOM 122 CZ TYR A 9 25.557 0.069 -9.440 1.00 2.43 C ATOM 123 OH TYR A 9 26.803 0.638 -9.307 1.00 41.42 O ATOM 0 H TYR A 9 20.088 -3.985 -10.916 1.00 22.31 H new ATOM 0 HA TYR A 9 21.544 -1.703 -11.998 1.00 73.32 H new ATOM 0 HB2 TYR A 9 20.911 -0.927 -9.749 1.00 74.01 H new ATOM 0 HB3 TYR A 9 21.514 -2.412 -9.039 1.00 74.01 H new ATOM 0 HD1 TYR A 9 22.720 0.405 -11.213 1.00 71.01 H new ATOM 0 HD2 TYR A 9 23.681 -2.413 -8.166 1.00 64.51 H new ATOM 0 HE1 TYR A 9 24.944 1.418 -10.980 1.00 41.01 H new ATOM 0 HE2 TYR A 9 25.904 -1.400 -7.927 1.00 44.31 H new ATOM 0 HH TYR A 9 27.307 0.163 -8.614 1.00 41.42 H new ATOM 133 N ASN A 10 23.547 -3.164 -12.181 1.00 41.40 N ATOM 134 CA ASN A 10 24.643 -4.089 -12.446 1.00 12.21 C ATOM 135 C ASN A 10 25.612 -4.135 -11.269 1.00 4.11 C ATOM 136 O ASN A 10 26.774 -3.749 -11.392 1.00 50.14 O ATOM 137 CB ASN A 10 25.387 -3.680 -13.719 1.00 1.45 C ATOM 138 CG ASN A 10 24.461 -3.094 -14.767 1.00 20.10 C ATOM 139 OD1 ASN A 10 23.984 -3.801 -15.655 1.00 22.33 O ATOM 140 ND2 ASN A 10 24.202 -1.795 -14.669 1.00 24.23 N ATOM 0 H ASN A 10 23.626 -2.268 -12.663 1.00 41.40 H new ATOM 0 HA ASN A 10 24.220 -5.084 -12.585 1.00 12.21 H new ATOM 0 HB2 ASN A 10 26.156 -2.949 -13.468 1.00 1.45 H new ATOM 0 HB3 ASN A 10 25.897 -4.550 -14.134 1.00 1.45 H new ATOM 0 HD21 ASN A 10 23.586 -1.345 -15.346 1.00 24.23 H new ATOM 0 HD22 ASN A 10 24.619 -1.247 -13.917 1.00 24.23 H new ATOM 147 N GLY A 11 25.126 -4.611 -10.127 1.00 21.14 N ATOM 148 CA GLY A 11 25.962 -4.700 -8.944 1.00 4.31 C ATOM 149 C GLY A 11 25.373 -5.609 -7.884 1.00 0.32 C ATOM 150 O GLY A 11 24.853 -6.681 -8.195 1.00 3.43 O ATOM 0 H GLY A 11 24.168 -4.937 -10.000 1.00 21.14 H new ATOM 0 HA2 GLY A 11 26.948 -5.068 -9.227 1.00 4.31 H new ATOM 0 HA3 GLY A 11 26.102 -3.703 -8.526 1.00 4.31 H new ATOM 154 N ASP A 12 25.455 -5.182 -6.629 1.00 11.44 N ATOM 155 CA ASP A 12 24.926 -5.965 -5.518 1.00 72.13 C ATOM 156 C ASP A 12 23.405 -6.057 -5.594 1.00 51.30 C ATOM 157 O ASP A 12 22.855 -7.079 -6.001 1.00 15.11 O ATOM 158 CB ASP A 12 25.346 -5.347 -4.184 1.00 0.11 C ATOM 159 CG ASP A 12 26.806 -5.599 -3.863 1.00 61.23 C ATOM 160 OD1 ASP A 12 27.671 -5.155 -4.647 1.00 14.42 O ATOM 161 OD2 ASP A 12 27.084 -6.242 -2.829 1.00 64.22 O ATOM 0 H ASP A 12 25.883 -4.298 -6.355 1.00 11.44 H new ATOM 0 HA ASP A 12 25.337 -6.972 -5.588 1.00 72.13 H new ATOM 0 HB2 ASP A 12 25.163 -4.273 -4.211 1.00 0.11 H new ATOM 0 HB3 ASP A 12 24.726 -5.756 -3.386 1.00 0.11 H new ATOM 166 N ASN A 13 22.732 -4.981 -5.198 1.00 71.22 N ATOM 167 CA ASN A 13 21.274 -4.941 -5.220 1.00 2.14 C ATOM 168 C ASN A 13 20.767 -3.510 -5.064 1.00 62.42 C ATOM 169 O ASN A 13 21.079 -2.832 -4.085 1.00 65.20 O ATOM 170 CB ASN A 13 20.702 -5.820 -4.106 1.00 25.32 C ATOM 171 CG ASN A 13 21.707 -6.077 -2.999 1.00 14.34 C ATOM 172 OD1 ASN A 13 22.110 -5.157 -2.287 1.00 24.35 O ATOM 173 ND2 ASN A 13 22.115 -7.332 -2.849 1.00 51.53 N ATOM 0 H ASN A 13 23.173 -4.126 -4.858 1.00 71.22 H new ATOM 0 HA ASN A 13 20.939 -5.324 -6.184 1.00 2.14 H new ATOM 0 HB2 ASN A 13 19.818 -5.340 -3.686 1.00 25.32 H new ATOM 0 HB3 ASN A 13 20.379 -6.772 -4.528 1.00 25.32 H new ATOM 0 HD21 ASN A 13 22.789 -7.565 -2.120 1.00 51.53 H new ATOM 0 HD22 ASN A 13 21.754 -8.062 -3.463 1.00 51.53 H new ATOM 180 N CYS A 14 19.983 -3.058 -6.036 1.00 54.35 N ATOM 181 CA CYS A 14 19.431 -1.708 -6.009 1.00 63.31 C ATOM 182 C CYS A 14 18.262 -1.618 -5.033 1.00 21.23 C ATOM 183 O CYS A 14 17.635 -2.625 -4.703 1.00 24.30 O ATOM 184 CB CYS A 14 18.974 -1.293 -7.409 1.00 22.20 C ATOM 185 SG CYS A 14 17.609 -2.299 -8.074 1.00 34.11 S ATOM 0 H CYS A 14 19.715 -3.607 -6.853 1.00 54.35 H new ATOM 0 HA CYS A 14 20.215 -1.029 -5.674 1.00 63.31 H new ATOM 0 HB2 CYS A 14 18.662 -0.249 -7.383 1.00 22.20 H new ATOM 0 HB3 CYS A 14 19.823 -1.356 -8.090 1.00 22.20 H new ATOM 190 N PHE A 15 17.974 -0.405 -4.574 1.00 1.33 N ATOM 191 CA PHE A 15 16.881 -0.182 -3.635 1.00 31.25 C ATOM 192 C PHE A 15 15.868 0.808 -4.203 1.00 64.31 C ATOM 193 O PHE A 15 16.195 1.965 -4.463 1.00 13.12 O ATOM 194 CB PHE A 15 17.424 0.335 -2.301 1.00 14.32 C ATOM 195 CG PHE A 15 18.172 -0.703 -1.515 1.00 5.30 C ATOM 196 CD1 PHE A 15 17.684 -1.995 -1.408 1.00 23.12 C ATOM 197 CD2 PHE A 15 19.365 -0.386 -0.884 1.00 33.50 C ATOM 198 CE1 PHE A 15 18.371 -2.952 -0.685 1.00 1.14 C ATOM 199 CE2 PHE A 15 20.056 -1.339 -0.160 1.00 22.33 C ATOM 200 CZ PHE A 15 19.559 -2.624 -0.061 1.00 1.01 C ATOM 0 H PHE A 15 18.483 0.439 -4.837 1.00 1.33 H new ATOM 0 HA PHE A 15 16.378 -1.135 -3.470 1.00 31.25 H new ATOM 0 HB2 PHE A 15 18.084 1.181 -2.490 1.00 14.32 H new ATOM 0 HB3 PHE A 15 16.594 0.706 -1.700 1.00 14.32 H new ATOM 0 HD1 PHE A 15 16.756 -2.257 -1.895 1.00 23.12 H new ATOM 0 HD2 PHE A 15 19.759 0.617 -0.959 1.00 33.50 H new ATOM 0 HE1 PHE A 15 17.979 -3.956 -0.608 1.00 1.14 H new ATOM 0 HE2 PHE A 15 20.984 -1.079 0.328 1.00 22.33 H new ATOM 0 HZ PHE A 15 20.098 -3.371 0.503 1.00 1.01 H new ATOM 210 N ASN A 16 14.638 0.343 -4.394 1.00 61.41 N ATOM 211 CA ASN A 16 13.577 1.186 -4.933 1.00 63.10 C ATOM 212 C ASN A 16 12.205 0.587 -4.640 1.00 51.41 C ATOM 213 O ASN A 16 11.621 -0.121 -5.461 1.00 1.04 O ATOM 214 CB ASN A 16 13.757 1.365 -6.442 1.00 15.01 C ATOM 215 CG ASN A 16 13.142 2.656 -6.948 1.00 21.21 C ATOM 216 OD1 ASN A 16 12.818 3.550 -6.166 1.00 53.14 O ATOM 217 ND2 ASN A 16 12.979 2.758 -8.262 1.00 2.11 N ATOM 0 H ASN A 16 14.351 -0.613 -4.184 1.00 61.41 H new ATOM 0 HA ASN A 16 13.639 2.160 -4.448 1.00 63.10 H new ATOM 0 HB2 ASN A 16 14.820 1.353 -6.682 1.00 15.01 H new ATOM 0 HB3 ASN A 16 13.303 0.521 -6.962 1.00 15.01 H new ATOM 0 HD21 ASN A 16 12.570 3.603 -8.661 1.00 2.11 H new ATOM 0 HD22 ASN A 16 13.262 1.991 -8.872 1.00 2.11 H new ATOM 224 N PRO A 17 11.676 0.878 -3.442 1.00 51.34 N ATOM 225 CA PRO A 17 10.366 0.380 -3.014 1.00 14.14 C ATOM 226 C PRO A 17 9.219 1.025 -3.786 1.00 23.53 C ATOM 227 O PRO A 17 9.109 2.249 -3.844 1.00 32.23 O ATOM 228 CB PRO A 17 10.303 0.774 -1.536 1.00 33.33 C ATOM 229 CG PRO A 17 11.215 1.946 -1.417 1.00 33.33 C ATOM 230 CD PRO A 17 12.316 1.717 -2.415 1.00 31.53 C ATOM 0 HA PRO A 17 10.260 -0.691 -3.190 1.00 14.14 H new ATOM 0 HB2 PRO A 17 9.287 1.031 -1.238 1.00 33.33 H new ATOM 0 HB3 PRO A 17 10.626 -0.045 -0.894 1.00 33.33 H new ATOM 0 HG2 PRO A 17 10.685 2.875 -1.627 1.00 33.33 H new ATOM 0 HG3 PRO A 17 11.615 2.028 -0.406 1.00 33.33 H new ATOM 0 HD2 PRO A 17 12.681 2.655 -2.833 1.00 31.53 H new ATOM 0 HD3 PRO A 17 13.171 1.215 -1.962 1.00 31.53 H new ATOM 238 N MET A 18 8.369 0.192 -4.377 1.00 15.11 N ATOM 239 CA MET A 18 7.229 0.682 -5.144 1.00 43.12 C ATOM 240 C MET A 18 6.030 -0.248 -4.991 1.00 62.21 C ATOM 241 O MET A 18 6.175 -1.471 -5.006 1.00 4.45 O ATOM 242 CB MET A 18 7.602 0.814 -6.622 1.00 55.42 C ATOM 243 CG MET A 18 6.398 0.925 -7.544 1.00 43.34 C ATOM 244 SD MET A 18 5.440 2.426 -7.258 1.00 71.43 S ATOM 245 CE MET A 18 5.811 3.353 -8.745 1.00 71.00 C ATOM 0 H MET A 18 8.448 -0.824 -4.340 1.00 15.11 H new ATOM 0 HA MET A 18 6.956 1.663 -4.756 1.00 43.12 H new ATOM 0 HB2 MET A 18 8.232 1.694 -6.752 1.00 55.42 H new ATOM 0 HB3 MET A 18 8.197 -0.050 -6.917 1.00 55.42 H new ATOM 0 HG2 MET A 18 6.736 0.906 -8.580 1.00 43.34 H new ATOM 0 HG3 MET A 18 5.755 0.056 -7.402 1.00 43.34 H new ATOM 0 HE1 MET A 18 5.290 4.310 -8.717 1.00 71.00 H new ATOM 0 HE2 MET A 18 6.885 3.527 -8.807 1.00 71.00 H new ATOM 0 HE3 MET A 18 5.484 2.787 -9.617 1.00 71.00 H new ATOM 255 N ARG A 19 4.847 0.338 -4.844 1.00 53.43 N ATOM 256 CA ARG A 19 3.623 -0.439 -4.687 1.00 41.40 C ATOM 257 C ARG A 19 3.186 -1.040 -6.019 1.00 62.44 C ATOM 258 O ARG A 19 3.101 -0.342 -7.030 1.00 62.22 O ATOM 259 CB ARG A 19 2.506 0.439 -4.121 1.00 15.23 C ATOM 260 CG ARG A 19 1.156 -0.258 -4.058 1.00 3.21 C ATOM 261 CD ARG A 19 1.047 -1.151 -2.832 1.00 64.43 C ATOM 262 NE ARG A 19 0.478 -0.444 -1.688 1.00 63.32 N ATOM 263 CZ ARG A 19 0.123 -1.043 -0.557 1.00 2.02 C ATOM 264 NH1 ARG A 19 0.278 -2.352 -0.419 1.00 24.53 N ATOM 265 NH2 ARG A 19 -0.388 -0.331 0.440 1.00 62.32 N ATOM 0 H ARG A 19 4.710 1.349 -4.830 1.00 53.43 H new ATOM 0 HA ARG A 19 3.826 -1.252 -3.990 1.00 41.40 H new ATOM 0 HB2 ARG A 19 2.784 0.765 -3.119 1.00 15.23 H new ATOM 0 HB3 ARG A 19 2.414 1.336 -4.734 1.00 15.23 H new ATOM 0 HG2 ARG A 19 0.361 0.487 -4.038 1.00 3.21 H new ATOM 0 HG3 ARG A 19 1.011 -0.855 -4.958 1.00 3.21 H new ATOM 0 HD2 ARG A 19 0.428 -2.016 -3.068 1.00 64.43 H new ATOM 0 HD3 ARG A 19 2.035 -1.529 -2.570 1.00 64.43 H new ATOM 0 HE ARG A 19 0.346 0.565 -1.761 1.00 63.32 H new ATOM 0 HH11 ARG A 19 0.671 -2.902 -1.183 1.00 24.53 H new ATOM 0 HH12 ARG A 19 0.004 -2.809 0.451 1.00 24.53 H new ATOM 0 HH21 ARG A 19 -0.508 0.677 0.338 1.00 62.32 H new ATOM 0 HH22 ARG A 19 -0.660 -0.792 1.308 1.00 62.32 H new ATOM 279 N CYS A 20 2.911 -2.340 -6.014 1.00 34.34 N ATOM 280 CA CYS A 20 2.483 -3.037 -7.221 1.00 24.33 C ATOM 281 C CYS A 20 1.029 -2.713 -7.551 1.00 4.44 C ATOM 282 O CYS A 20 0.245 -2.315 -6.689 1.00 2.40 O ATOM 283 CB CYS A 20 2.654 -4.548 -7.050 1.00 20.12 C ATOM 284 SG CYS A 20 4.216 -5.034 -6.248 1.00 61.02 S ATOM 0 H CYS A 20 2.977 -2.933 -5.186 1.00 34.34 H new ATOM 0 HA CYS A 20 3.108 -2.698 -8.047 1.00 24.33 H new ATOM 0 HB2 CYS A 20 1.821 -4.933 -6.462 1.00 20.12 H new ATOM 0 HB3 CYS A 20 2.598 -5.022 -8.030 1.00 20.12 H new ATOM 289 N PRO A 21 0.660 -2.886 -8.828 1.00 74.42 N ATOM 290 CA PRO A 21 -0.702 -2.619 -9.302 1.00 3.33 C ATOM 291 C PRO A 21 -1.710 -3.631 -8.770 1.00 31.23 C ATOM 292 O PRO A 21 -1.345 -4.575 -8.070 1.00 34.52 O ATOM 293 CB PRO A 21 -0.578 -2.736 -10.823 1.00 24.31 C ATOM 294 CG PRO A 21 0.590 -3.636 -11.039 1.00 41.33 C ATOM 295 CD PRO A 21 1.542 -3.358 -9.909 1.00 32.13 C ATOM 0 HA PRO A 21 -1.068 -1.650 -8.964 1.00 3.33 H new ATOM 0 HB2 PRO A 21 -1.485 -3.151 -11.263 1.00 24.31 H new ATOM 0 HB3 PRO A 21 -0.417 -1.761 -11.283 1.00 24.31 H new ATOM 0 HG2 PRO A 21 0.282 -4.682 -11.041 1.00 41.33 H new ATOM 0 HG3 PRO A 21 1.060 -3.440 -12.003 1.00 41.33 H new ATOM 0 HD2 PRO A 21 2.092 -4.253 -9.617 1.00 32.13 H new ATOM 0 HD3 PRO A 21 2.281 -2.605 -10.182 1.00 32.13 H new ATOM 303 N ALA A 22 -2.980 -3.428 -9.107 1.00 25.24 N ATOM 304 CA ALA A 22 -4.040 -4.325 -8.665 1.00 31.14 C ATOM 305 C ALA A 22 -4.058 -5.605 -9.494 1.00 2.23 C ATOM 306 O ALA A 22 -5.079 -5.960 -10.082 1.00 22.22 O ATOM 307 CB ALA A 22 -5.389 -3.626 -8.741 1.00 50.52 C ATOM 0 H ALA A 22 -3.299 -2.650 -9.685 1.00 25.24 H new ATOM 0 HA ALA A 22 -3.842 -4.598 -7.628 1.00 31.14 H new ATOM 0 HB1 ALA A 22 -6.171 -4.308 -8.408 1.00 50.52 H new ATOM 0 HB2 ALA A 22 -5.379 -2.745 -8.100 1.00 50.52 H new ATOM 0 HB3 ALA A 22 -5.585 -3.324 -9.770 1.00 50.52 H new ATOM 313 N MET A 23 -2.921 -6.292 -9.536 1.00 74.55 N ATOM 314 CA MET A 23 -2.808 -7.533 -10.294 1.00 24.51 C ATOM 315 C MET A 23 -1.651 -8.383 -9.775 1.00 55.24 C ATOM 316 O MET A 23 -1.755 -9.607 -9.695 1.00 2.14 O ATOM 317 CB MET A 23 -2.608 -7.232 -11.780 1.00 61.25 C ATOM 318 CG MET A 23 -1.571 -6.153 -12.048 1.00 33.01 C ATOM 319 SD MET A 23 -1.273 -5.897 -13.808 1.00 30.34 S ATOM 320 CE MET A 23 -2.760 -5.018 -14.279 1.00 14.41 C ATOM 0 H MET A 23 -2.066 -6.011 -9.055 1.00 74.55 H new ATOM 0 HA MET A 23 -3.734 -8.093 -10.166 1.00 24.51 H new ATOM 0 HB2 MET A 23 -2.308 -8.147 -12.290 1.00 61.25 H new ATOM 0 HB3 MET A 23 -3.561 -6.924 -12.211 1.00 61.25 H new ATOM 0 HG2 MET A 23 -1.903 -5.216 -11.600 1.00 33.01 H new ATOM 0 HG3 MET A 23 -0.635 -6.425 -11.561 1.00 33.01 H new ATOM 0 HE1 MET A 23 -2.671 -4.679 -15.311 1.00 14.41 H new ATOM 0 HE2 MET A 23 -3.620 -5.682 -14.188 1.00 14.41 H new ATOM 0 HE3 MET A 23 -2.896 -4.157 -13.625 1.00 14.41 H new ATOM 330 N VAL A 24 -0.550 -7.725 -9.425 1.00 74.34 N ATOM 331 CA VAL A 24 0.625 -8.420 -8.914 1.00 31.21 C ATOM 332 C VAL A 24 0.439 -8.812 -7.452 1.00 41.23 C ATOM 333 O VAL A 24 -0.125 -8.054 -6.663 1.00 61.52 O ATOM 334 CB VAL A 24 1.891 -7.553 -9.045 1.00 11.23 C ATOM 335 CG1 VAL A 24 3.000 -8.088 -8.152 1.00 70.51 C ATOM 336 CG2 VAL A 24 2.346 -7.490 -10.495 1.00 32.01 C ATOM 0 H VAL A 24 -0.448 -6.712 -9.486 1.00 74.34 H new ATOM 0 HA VAL A 24 0.747 -9.321 -9.516 1.00 31.21 H new ATOM 0 HB VAL A 24 1.652 -6.541 -8.719 1.00 11.23 H new ATOM 0 HG11 VAL A 24 3.886 -7.462 -8.258 1.00 70.51 H new ATOM 0 HG12 VAL A 24 2.669 -8.075 -7.114 1.00 70.51 H new ATOM 0 HG13 VAL A 24 3.240 -9.110 -8.443 1.00 70.51 H new ATOM 0 HG21 VAL A 24 3.242 -6.873 -10.569 1.00 32.01 H new ATOM 0 HG22 VAL A 24 2.568 -8.496 -10.851 1.00 32.01 H new ATOM 0 HG23 VAL A 24 1.555 -7.055 -11.106 1.00 32.01 H new ATOM 346 N ALA A 25 0.918 -10.000 -7.098 1.00 51.13 N ATOM 347 CA ALA A 25 0.807 -10.492 -5.731 1.00 0.54 C ATOM 348 C ALA A 25 2.089 -11.192 -5.293 1.00 42.52 C ATOM 349 O ALA A 25 2.124 -11.853 -4.255 1.00 72.35 O ATOM 350 CB ALA A 25 -0.381 -11.434 -5.603 1.00 42.31 C ATOM 0 H ALA A 25 1.387 -10.640 -7.740 1.00 51.13 H new ATOM 0 HA ALA A 25 0.650 -9.636 -5.075 1.00 0.54 H new ATOM 0 HB1 ALA A 25 -0.451 -11.794 -4.576 1.00 42.31 H new ATOM 0 HB2 ALA A 25 -1.296 -10.903 -5.865 1.00 42.31 H new ATOM 0 HB3 ALA A 25 -0.248 -12.281 -6.276 1.00 42.31 H new ATOM 356 N TYR A 26 3.141 -11.042 -6.091 1.00 12.02 N ATOM 357 CA TYR A 26 4.425 -11.663 -5.787 1.00 52.32 C ATOM 358 C TYR A 26 5.579 -10.799 -6.287 1.00 60.41 C ATOM 359 O TYR A 26 5.462 -10.113 -7.302 1.00 42.45 O ATOM 360 CB TYR A 26 4.504 -13.054 -6.417 1.00 71.24 C ATOM 361 CG TYR A 26 3.855 -14.135 -5.583 1.00 13.24 C ATOM 362 CD1 TYR A 26 4.552 -14.759 -4.556 1.00 31.53 C ATOM 363 CD2 TYR A 26 2.545 -14.532 -5.821 1.00 51.02 C ATOM 364 CE1 TYR A 26 3.963 -15.748 -3.791 1.00 2.23 C ATOM 365 CE2 TYR A 26 1.948 -15.518 -5.060 1.00 73.23 C ATOM 366 CZ TYR A 26 2.661 -16.123 -4.047 1.00 31.35 C ATOM 367 OH TYR A 26 2.070 -17.107 -3.287 1.00 70.23 O ATOM 0 H TYR A 26 3.130 -10.496 -6.953 1.00 12.02 H new ATOM 0 HA TYR A 26 4.508 -11.757 -4.704 1.00 52.32 H new ATOM 0 HB2 TYR A 26 4.027 -13.027 -7.397 1.00 71.24 H new ATOM 0 HB3 TYR A 26 5.551 -13.311 -6.579 1.00 71.24 H new ATOM 0 HD1 TYR A 26 5.571 -14.466 -4.352 1.00 31.53 H new ATOM 0 HD2 TYR A 26 1.984 -14.061 -6.615 1.00 51.02 H new ATOM 0 HE1 TYR A 26 4.519 -16.224 -2.997 1.00 2.23 H new ATOM 0 HE2 TYR A 26 0.928 -15.813 -5.257 1.00 73.23 H new ATOM 0 HH TYR A 26 1.151 -17.251 -3.596 1.00 70.23 H new ATOM 377 N CYS A 27 6.695 -10.840 -5.566 1.00 53.14 N ATOM 378 CA CYS A 27 7.872 -10.063 -5.934 1.00 40.23 C ATOM 379 C CYS A 27 8.936 -10.954 -6.569 1.00 33.21 C ATOM 380 O CYS A 27 9.349 -11.956 -5.985 1.00 45.55 O ATOM 381 CB CYS A 27 8.449 -9.358 -4.705 1.00 34.33 C ATOM 382 SG CYS A 27 7.192 -8.609 -3.620 1.00 11.43 S ATOM 0 H CYS A 27 6.808 -11.403 -4.723 1.00 53.14 H new ATOM 0 HA CYS A 27 7.567 -9.314 -6.665 1.00 40.23 H new ATOM 0 HB2 CYS A 27 9.031 -10.076 -4.127 1.00 34.33 H new ATOM 0 HB3 CYS A 27 9.138 -8.581 -5.035 1.00 34.33 H new ATOM 387 N MET A 28 9.374 -10.582 -7.767 1.00 55.03 N ATOM 388 CA MET A 28 10.390 -11.347 -8.480 1.00 50.35 C ATOM 389 C MET A 28 11.759 -10.688 -8.347 1.00 24.35 C ATOM 390 O MET A 28 11.872 -9.462 -8.336 1.00 42.10 O ATOM 391 CB MET A 28 10.017 -11.478 -9.958 1.00 54.03 C ATOM 392 CG MET A 28 11.062 -12.207 -10.787 1.00 33.23 C ATOM 393 SD MET A 28 10.772 -12.055 -12.560 1.00 25.20 S ATOM 394 CE MET A 28 12.251 -11.182 -13.071 1.00 32.34 C ATOM 0 H MET A 28 9.041 -9.756 -8.264 1.00 55.03 H new ATOM 0 HA MET A 28 10.439 -12.341 -8.035 1.00 50.35 H new ATOM 0 HB2 MET A 28 9.067 -12.007 -10.039 1.00 54.03 H new ATOM 0 HB3 MET A 28 9.864 -10.483 -10.375 1.00 54.03 H new ATOM 0 HG2 MET A 28 12.049 -11.811 -10.549 1.00 33.23 H new ATOM 0 HG3 MET A 28 11.067 -13.262 -10.513 1.00 33.23 H new ATOM 0 HE1 MET A 28 11.973 -10.312 -13.666 1.00 32.34 H new ATOM 0 HE2 MET A 28 12.804 -10.857 -12.190 1.00 32.34 H new ATOM 0 HE3 MET A 28 12.877 -11.845 -13.668 1.00 32.34 H new ATOM 404 N THR A 29 12.799 -11.510 -8.244 1.00 21.41 N ATOM 405 CA THR A 29 14.160 -11.008 -8.109 1.00 45.11 C ATOM 406 C THR A 29 15.155 -11.918 -8.820 1.00 25.00 C ATOM 407 O THR A 29 15.411 -13.040 -8.380 1.00 45.44 O ATOM 408 CB THR A 29 14.567 -10.878 -6.629 1.00 64.02 C ATOM 409 OG1 THR A 29 13.726 -9.924 -5.972 1.00 30.14 O ATOM 410 CG2 THR A 29 16.022 -10.451 -6.503 1.00 51.44 C ATOM 0 H THR A 29 12.724 -12.527 -8.252 1.00 21.41 H new ATOM 0 HA THR A 29 14.180 -10.021 -8.571 1.00 45.11 H new ATOM 0 HB THR A 29 14.449 -11.853 -6.156 1.00 64.02 H new ATOM 0 HG1 THR A 29 13.030 -10.394 -5.467 1.00 30.14 H new ATOM 0 HG21 THR A 29 16.286 -10.366 -5.449 1.00 51.44 H new ATOM 0 HG22 THR A 29 16.662 -11.194 -6.979 1.00 51.44 H new ATOM 0 HG23 THR A 29 16.162 -9.486 -6.991 1.00 51.44 H new ATOM 418 N THR A 30 15.716 -11.429 -9.922 1.00 13.42 N ATOM 419 CA THR A 30 16.683 -12.198 -10.694 1.00 72.21 C ATOM 420 C THR A 30 18.098 -11.674 -10.481 1.00 64.04 C ATOM 421 O THR A 30 18.497 -10.675 -11.080 1.00 13.53 O ATOM 422 CB THR A 30 16.355 -12.163 -12.199 1.00 24.41 C ATOM 423 OG1 THR A 30 14.942 -12.037 -12.390 1.00 11.11 O ATOM 424 CG2 THR A 30 16.855 -13.423 -12.891 1.00 0.24 C ATOM 0 H THR A 30 15.516 -10.503 -10.300 1.00 13.42 H new ATOM 0 HA THR A 30 16.623 -13.227 -10.341 1.00 72.21 H new ATOM 0 HB THR A 30 16.858 -11.302 -12.638 1.00 24.41 H new ATOM 0 HG1 THR A 30 14.538 -12.928 -12.439 1.00 11.11 H new ATOM 0 HG21 THR A 30 16.612 -13.376 -13.953 1.00 0.24 H new ATOM 0 HG22 THR A 30 17.935 -13.501 -12.769 1.00 0.24 H new ATOM 0 HG23 THR A 30 16.376 -14.296 -12.448 1.00 0.24 H new ATOM 432 N ARG A 31 18.854 -12.355 -9.626 1.00 63.15 N ATOM 433 CA ARG A 31 20.226 -11.957 -9.335 1.00 22.12 C ATOM 434 C ARG A 31 21.214 -12.744 -10.191 1.00 42.21 C ATOM 435 O ARG A 31 21.518 -13.902 -9.903 1.00 75.35 O ATOM 436 CB ARG A 31 20.537 -12.170 -7.852 1.00 64.13 C ATOM 437 CG ARG A 31 20.057 -13.508 -7.315 1.00 71.43 C ATOM 438 CD ARG A 31 20.531 -13.739 -5.889 1.00 14.22 C ATOM 439 NE ARG A 31 20.104 -12.669 -4.991 1.00 0.11 N ATOM 440 CZ ARG A 31 20.100 -12.778 -3.667 1.00 72.40 C ATOM 441 NH1 ARG A 31 20.498 -13.904 -3.090 1.00 74.14 N ATOM 442 NH2 ARG A 31 19.697 -11.760 -2.917 1.00 65.31 N ATOM 0 H ARG A 31 18.540 -13.185 -9.123 1.00 63.15 H new ATOM 0 HA ARG A 31 20.329 -10.898 -9.573 1.00 22.12 H new ATOM 0 HB2 ARG A 31 21.614 -12.092 -7.701 1.00 64.13 H new ATOM 0 HB3 ARG A 31 20.075 -11.369 -7.274 1.00 64.13 H new ATOM 0 HG2 ARG A 31 18.968 -13.545 -7.348 1.00 71.43 H new ATOM 0 HG3 ARG A 31 20.423 -14.311 -7.956 1.00 71.43 H new ATOM 0 HD2 ARG A 31 20.144 -14.692 -5.528 1.00 14.22 H new ATOM 0 HD3 ARG A 31 21.619 -13.811 -5.876 1.00 14.22 H new ATOM 0 HE ARG A 31 19.792 -11.790 -5.403 1.00 0.11 H new ATOM 0 HH11 ARG A 31 20.808 -14.689 -3.663 1.00 74.14 H new ATOM 0 HH12 ARG A 31 20.494 -13.985 -2.073 1.00 74.14 H new ATOM 0 HH21 ARG A 31 19.390 -10.893 -3.357 1.00 65.31 H new ATOM 0 HH22 ARG A 31 19.694 -11.845 -1.901 1.00 65.31 H new ATOM 456 N THR A 32 21.714 -12.107 -11.246 1.00 14.11 N ATOM 457 CA THR A 32 22.665 -12.747 -12.145 1.00 5.30 C ATOM 458 C THR A 32 24.100 -12.401 -11.763 1.00 62.12 C ATOM 459 O THR A 32 24.421 -11.242 -11.501 1.00 50.40 O ATOM 460 CB THR A 32 22.422 -12.332 -13.608 1.00 73.54 C ATOM 461 OG1 THR A 32 21.025 -12.409 -13.913 1.00 14.31 O ATOM 462 CG2 THR A 32 23.203 -13.225 -14.561 1.00 30.12 C ATOM 0 H THR A 32 21.475 -11.148 -11.498 1.00 14.11 H new ATOM 0 HA THR A 32 22.515 -13.822 -12.050 1.00 5.30 H new ATOM 0 HB THR A 32 22.766 -11.305 -13.733 1.00 73.54 H new ATOM 0 HG1 THR A 32 20.878 -12.142 -14.844 1.00 14.31 H new ATOM 0 HG21 THR A 32 23.015 -12.913 -15.588 1.00 30.12 H new ATOM 0 HG22 THR A 32 24.268 -13.143 -14.346 1.00 30.12 H new ATOM 0 HG23 THR A 32 22.885 -14.260 -14.433 1.00 30.12 H new ATOM 470 N TYR A 33 24.960 -13.413 -11.734 1.00 71.34 N ATOM 471 CA TYR A 33 26.361 -13.216 -11.383 1.00 21.23 C ATOM 472 C TYR A 33 27.275 -13.973 -12.342 1.00 1.50 C ATOM 473 O TYR A 33 27.244 -15.202 -12.408 1.00 2.42 O ATOM 474 CB TYR A 33 26.618 -13.676 -9.947 1.00 31.13 C ATOM 475 CG TYR A 33 26.262 -15.125 -9.702 1.00 65.33 C ATOM 476 CD1 TYR A 33 24.939 -15.520 -9.549 1.00 50.02 C ATOM 477 CD2 TYR A 33 27.250 -16.100 -9.624 1.00 13.34 C ATOM 478 CE1 TYR A 33 24.609 -16.843 -9.325 1.00 44.20 C ATOM 479 CE2 TYR A 33 26.929 -17.425 -9.401 1.00 44.13 C ATOM 480 CZ TYR A 33 25.608 -17.791 -9.252 1.00 70.44 C ATOM 481 OH TYR A 33 25.285 -19.110 -9.029 1.00 71.34 O ATOM 0 H TYR A 33 24.711 -14.378 -11.949 1.00 71.34 H new ATOM 0 HA TYR A 33 26.583 -12.152 -11.462 1.00 21.23 H new ATOM 0 HB2 TYR A 33 27.671 -13.524 -9.709 1.00 31.13 H new ATOM 0 HB3 TYR A 33 26.043 -13.049 -9.265 1.00 31.13 H new ATOM 0 HD1 TYR A 33 24.154 -14.780 -9.606 1.00 50.02 H new ATOM 0 HD2 TYR A 33 28.286 -15.817 -9.740 1.00 13.34 H new ATOM 0 HE1 TYR A 33 23.575 -17.133 -9.208 1.00 44.20 H new ATOM 0 HE2 TYR A 33 27.709 -18.170 -9.344 1.00 44.13 H new ATOM 0 HH TYR A 33 26.104 -19.648 -9.007 1.00 71.34 H new ATOM 491 N TYR A 34 28.088 -13.229 -13.084 1.00 3.14 N ATOM 492 CA TYR A 34 29.011 -13.827 -14.041 1.00 73.32 C ATOM 493 C TYR A 34 30.418 -13.919 -13.458 1.00 75.22 C ATOM 494 O TYR A 34 31.078 -14.954 -13.556 1.00 73.24 O ATOM 495 CB TYR A 34 29.035 -13.012 -15.335 1.00 62.34 C ATOM 496 CG TYR A 34 27.660 -12.647 -15.847 1.00 0.01 C ATOM 497 CD1 TYR A 34 26.862 -13.588 -16.485 1.00 73.11 C ATOM 498 CD2 TYR A 34 27.159 -11.360 -15.691 1.00 73.41 C ATOM 499 CE1 TYR A 34 25.605 -13.258 -16.955 1.00 22.23 C ATOM 500 CE2 TYR A 34 25.903 -11.022 -16.156 1.00 53.02 C ATOM 501 CZ TYR A 34 25.130 -11.974 -16.788 1.00 30.23 C ATOM 502 OH TYR A 34 23.878 -11.642 -17.253 1.00 22.03 O ATOM 0 H TYR A 34 28.126 -12.211 -13.041 1.00 3.14 H new ATOM 0 HA TYR A 34 28.663 -14.836 -14.261 1.00 73.32 H new ATOM 0 HB2 TYR A 34 29.606 -12.098 -15.168 1.00 62.34 H new ATOM 0 HB3 TYR A 34 29.560 -13.580 -16.103 1.00 62.34 H new ATOM 0 HD1 TYR A 34 27.230 -14.595 -16.616 1.00 73.11 H new ATOM 0 HD2 TYR A 34 27.762 -10.612 -15.198 1.00 73.41 H new ATOM 0 HE1 TYR A 34 24.998 -14.001 -17.450 1.00 22.23 H new ATOM 0 HE2 TYR A 34 25.528 -10.018 -16.025 1.00 53.02 H new ATOM 0 HH TYR A 34 23.695 -10.700 -17.055 1.00 22.03 H new ATOM 512 N THR A 35 30.871 -12.828 -12.849 1.00 42.13 N ATOM 513 CA THR A 35 32.199 -12.783 -12.250 1.00 40.02 C ATOM 514 C THR A 35 32.146 -12.215 -10.837 1.00 15.04 C ATOM 515 O THR A 35 31.184 -11.554 -10.443 1.00 71.41 O ATOM 516 CB THR A 35 33.168 -11.935 -13.096 1.00 24.45 C ATOM 517 OG1 THR A 35 33.159 -10.578 -12.638 1.00 61.42 O ATOM 518 CG2 THR A 35 32.786 -11.983 -14.567 1.00 42.52 C ATOM 0 H THR A 35 30.338 -11.963 -12.758 1.00 42.13 H new ATOM 0 HA THR A 35 32.564 -13.809 -12.212 1.00 40.02 H new ATOM 0 HB THR A 35 34.170 -12.348 -12.985 1.00 24.45 H new ATOM 0 HG1 THR A 35 33.779 -10.046 -13.180 1.00 61.42 H new ATOM 0 HG21 THR A 35 33.484 -11.377 -15.144 1.00 42.52 H new ATOM 0 HG22 THR A 35 32.823 -13.014 -14.919 1.00 42.52 H new ATOM 0 HG23 THR A 35 31.776 -11.593 -14.694 1.00 42.52 H new ATOM 526 N PRO A 36 33.202 -12.476 -10.053 1.00 3.22 N ATOM 527 CA PRO A 36 33.300 -11.998 -8.670 1.00 54.04 C ATOM 528 C PRO A 36 33.490 -10.487 -8.591 1.00 71.12 C ATOM 529 O PRO A 36 33.491 -9.907 -7.505 1.00 40.41 O ATOM 530 CB PRO A 36 34.536 -12.722 -8.131 1.00 40.42 C ATOM 531 CG PRO A 36 35.359 -13.015 -9.338 1.00 4.04 C ATOM 532 CD PRO A 36 34.384 -13.257 -10.456 1.00 52.31 C ATOM 0 HA PRO A 36 32.391 -12.200 -8.104 1.00 54.04 H new ATOM 0 HB2 PRO A 36 35.081 -12.100 -7.421 1.00 40.42 H new ATOM 0 HB3 PRO A 36 34.262 -13.638 -7.607 1.00 40.42 H new ATOM 0 HG2 PRO A 36 36.020 -12.181 -9.571 1.00 4.04 H new ATOM 0 HG3 PRO A 36 35.992 -13.888 -9.176 1.00 4.04 H new ATOM 0 HD2 PRO A 36 34.780 -12.921 -11.414 1.00 52.31 H new ATOM 0 HD3 PRO A 36 34.149 -14.316 -10.562 1.00 52.31 H new ATOM 540 N THR A 37 33.650 -9.854 -9.749 1.00 44.12 N ATOM 541 CA THR A 37 33.842 -8.410 -9.811 1.00 22.52 C ATOM 542 C THR A 37 32.792 -7.754 -10.699 1.00 52.30 C ATOM 543 O THR A 37 32.762 -6.531 -10.842 1.00 23.24 O ATOM 544 CB THR A 37 35.243 -8.052 -10.341 1.00 23.00 C ATOM 545 OG1 THR A 37 35.628 -8.971 -11.369 1.00 72.25 O ATOM 546 CG2 THR A 37 36.270 -8.080 -9.219 1.00 20.21 C ATOM 0 H THR A 37 33.650 -10.319 -10.657 1.00 44.12 H new ATOM 0 HA THR A 37 33.740 -8.033 -8.793 1.00 22.52 H new ATOM 0 HB THR A 37 35.204 -7.043 -10.752 1.00 23.00 H new ATOM 0 HG1 THR A 37 36.519 -8.735 -11.702 1.00 72.25 H new ATOM 0 HG21 THR A 37 37.252 -7.824 -9.618 1.00 20.21 H new ATOM 0 HG22 THR A 37 35.990 -7.358 -8.452 1.00 20.21 H new ATOM 0 HG23 THR A 37 36.305 -9.078 -8.782 1.00 20.21 H new ATOM 554 N ARG A 38 31.931 -8.573 -11.294 1.00 14.32 N ATOM 555 CA ARG A 38 30.878 -8.070 -12.169 1.00 63.40 C ATOM 556 C ARG A 38 29.593 -8.874 -11.991 1.00 3.33 C ATOM 557 O ARG A 38 29.541 -10.060 -12.314 1.00 43.25 O ATOM 558 CB ARG A 38 31.330 -8.128 -13.630 1.00 13.24 C ATOM 559 CG ARG A 38 32.013 -6.856 -14.106 1.00 71.53 C ATOM 560 CD ARG A 38 32.254 -6.883 -15.607 1.00 62.04 C ATOM 561 NE ARG A 38 32.758 -5.605 -16.104 1.00 30.15 N ATOM 562 CZ ARG A 38 32.785 -5.275 -17.390 1.00 32.20 C ATOM 563 NH1 ARG A 38 32.338 -6.125 -18.305 1.00 45.40 N ATOM 564 NH2 ARG A 38 33.258 -4.093 -17.763 1.00 63.23 N ATOM 0 H ARG A 38 31.942 -9.587 -11.186 1.00 14.32 H new ATOM 0 HA ARG A 38 30.678 -7.033 -11.898 1.00 63.40 H new ATOM 0 HB2 ARG A 38 32.014 -8.967 -13.757 1.00 13.24 H new ATOM 0 HB3 ARG A 38 30.464 -8.324 -14.262 1.00 13.24 H new ATOM 0 HG2 ARG A 38 31.398 -5.993 -13.850 1.00 71.53 H new ATOM 0 HG3 ARG A 38 32.963 -6.735 -13.586 1.00 71.53 H new ATOM 0 HD2 ARG A 38 32.968 -7.671 -15.845 1.00 62.04 H new ATOM 0 HD3 ARG A 38 31.324 -7.130 -16.119 1.00 62.04 H new ATOM 0 HE ARG A 38 33.109 -4.929 -15.426 1.00 30.15 H new ATOM 0 HH11 ARG A 38 31.973 -7.034 -18.021 1.00 45.40 H new ATOM 0 HH12 ARG A 38 32.360 -5.870 -19.292 1.00 45.40 H new ATOM 0 HH21 ARG A 38 33.601 -3.437 -17.062 1.00 63.23 H new ATOM 0 HH22 ARG A 38 33.278 -3.841 -18.751 1.00 63.23 H new ATOM 578 N MET A 39 28.559 -8.219 -11.473 1.00 42.21 N ATOM 579 CA MET A 39 27.274 -8.872 -11.252 1.00 62.14 C ATOM 580 C MET A 39 26.123 -7.967 -11.680 1.00 4.31 C ATOM 581 O MET A 39 26.335 -6.819 -12.071 1.00 3.43 O ATOM 582 CB MET A 39 27.118 -9.254 -9.779 1.00 42.50 C ATOM 583 CG MET A 39 27.444 -8.120 -8.820 1.00 54.11 C ATOM 584 SD MET A 39 27.064 -8.530 -7.106 1.00 5.03 S ATOM 585 CE MET A 39 28.702 -8.506 -6.382 1.00 5.45 C ATOM 0 H MET A 39 28.586 -7.237 -11.199 1.00 42.21 H new ATOM 0 HA MET A 39 27.246 -9.777 -11.859 1.00 62.14 H new ATOM 0 HB2 MET A 39 26.094 -9.584 -9.604 1.00 42.50 H new ATOM 0 HB3 MET A 39 27.768 -10.102 -9.561 1.00 42.50 H new ATOM 0 HG2 MET A 39 28.502 -7.871 -8.904 1.00 54.11 H new ATOM 0 HG3 MET A 39 26.883 -7.231 -9.110 1.00 54.11 H new ATOM 0 HE1 MET A 39 28.634 -8.742 -5.320 1.00 5.45 H new ATOM 0 HE2 MET A 39 29.330 -9.246 -6.878 1.00 5.45 H new ATOM 0 HE3 MET A 39 29.140 -7.516 -6.506 1.00 5.45 H new ATOM 595 N LYS A 40 24.905 -8.490 -11.604 1.00 33.54 N ATOM 596 CA LYS A 40 23.720 -7.730 -11.982 1.00 15.15 C ATOM 597 C LYS A 40 22.484 -8.252 -11.256 1.00 34.21 C ATOM 598 O LYS A 40 22.358 -9.451 -11.007 1.00 22.24 O ATOM 599 CB LYS A 40 23.504 -7.801 -13.495 1.00 34.21 C ATOM 600 CG LYS A 40 22.152 -7.271 -13.942 1.00 64.12 C ATOM 601 CD LYS A 40 22.089 -5.756 -13.848 1.00 51.12 C ATOM 602 CE LYS A 40 20.991 -5.188 -14.734 1.00 73.02 C ATOM 603 NZ LYS A 40 21.354 -5.252 -16.177 1.00 54.11 N ATOM 0 H LYS A 40 24.712 -9.439 -11.283 1.00 33.54 H new ATOM 0 HA LYS A 40 23.878 -6.691 -11.692 1.00 15.15 H new ATOM 0 HB2 LYS A 40 24.290 -7.233 -13.993 1.00 34.21 H new ATOM 0 HB3 LYS A 40 23.604 -8.837 -13.820 1.00 34.21 H new ATOM 0 HG2 LYS A 40 21.960 -7.581 -14.969 1.00 64.12 H new ATOM 0 HG3 LYS A 40 21.367 -7.708 -13.325 1.00 64.12 H new ATOM 0 HD2 LYS A 40 21.912 -5.462 -12.814 1.00 51.12 H new ATOM 0 HD3 LYS A 40 23.050 -5.332 -14.140 1.00 51.12 H new ATOM 0 HE2 LYS A 40 20.067 -5.741 -14.567 1.00 73.02 H new ATOM 0 HE3 LYS A 40 20.797 -4.153 -14.454 1.00 73.02 H new ATOM 0 HZ1 LYS A 40 20.674 -4.693 -16.731 1.00 54.11 H new ATOM 0 HZ2 LYS A 40 22.310 -4.866 -16.312 1.00 54.11 H new ATOM 0 HZ3 LYS A 40 21.332 -6.241 -16.497 1.00 54.11 H new ATOM 617 N VAL A 41 21.572 -7.345 -10.920 1.00 41.45 N ATOM 618 CA VAL A 41 20.345 -7.714 -10.226 1.00 33.31 C ATOM 619 C VAL A 41 19.125 -7.090 -10.895 1.00 23.11 C ATOM 620 O VAL A 41 19.220 -6.033 -11.518 1.00 54.23 O ATOM 621 CB VAL A 41 20.384 -7.281 -8.748 1.00 72.43 C ATOM 622 CG1 VAL A 41 20.397 -5.765 -8.636 1.00 41.52 C ATOM 623 CG2 VAL A 41 19.204 -7.870 -7.990 1.00 12.13 C ATOM 0 H VAL A 41 21.661 -6.348 -11.118 1.00 41.45 H new ATOM 0 HA VAL A 41 20.268 -8.800 -10.277 1.00 33.31 H new ATOM 0 HB VAL A 41 21.302 -7.662 -8.300 1.00 72.43 H new ATOM 0 HG11 VAL A 41 20.425 -5.478 -7.585 1.00 41.52 H new ATOM 0 HG12 VAL A 41 21.277 -5.370 -9.143 1.00 41.52 H new ATOM 0 HG13 VAL A 41 19.498 -5.358 -9.100 1.00 41.52 H new ATOM 0 HG21 VAL A 41 19.247 -7.554 -6.948 1.00 12.13 H new ATOM 0 HG22 VAL A 41 18.273 -7.520 -8.437 1.00 12.13 H new ATOM 0 HG23 VAL A 41 19.245 -8.958 -8.041 1.00 12.13 H new ATOM 633 N SER A 42 17.980 -7.751 -10.761 1.00 21.42 N ATOM 634 CA SER A 42 16.741 -7.263 -11.355 1.00 63.12 C ATOM 635 C SER A 42 15.544 -7.602 -10.472 1.00 5.44 C ATOM 636 O SER A 42 15.352 -8.753 -10.081 1.00 31.13 O ATOM 637 CB SER A 42 16.547 -7.865 -12.748 1.00 45.13 C ATOM 638 OG SER A 42 15.878 -9.112 -12.677 1.00 11.33 O ATOM 0 H SER A 42 17.884 -8.626 -10.246 1.00 21.42 H new ATOM 0 HA SER A 42 16.811 -6.179 -11.441 1.00 63.12 H new ATOM 0 HB2 SER A 42 15.974 -7.176 -13.368 1.00 45.13 H new ATOM 0 HB3 SER A 42 17.516 -7.996 -13.229 1.00 45.13 H new ATOM 0 HG SER A 42 15.765 -9.475 -13.580 1.00 11.33 H new ATOM 644 N LYS A 43 14.742 -6.589 -10.160 1.00 61.41 N ATOM 645 CA LYS A 43 13.562 -6.777 -9.324 1.00 5.21 C ATOM 646 C LYS A 43 12.347 -6.088 -9.936 1.00 33.41 C ATOM 647 O LYS A 43 12.453 -4.991 -10.483 1.00 11.44 O ATOM 648 CB LYS A 43 13.817 -6.230 -7.917 1.00 70.33 C ATOM 649 CG LYS A 43 15.045 -6.822 -7.248 1.00 31.54 C ATOM 650 CD LYS A 43 15.682 -5.839 -6.281 1.00 12.45 C ATOM 651 CE LYS A 43 16.921 -6.426 -5.624 1.00 5.14 C ATOM 652 NZ LYS A 43 16.623 -7.703 -4.919 1.00 23.51 N ATOM 0 H LYS A 43 14.888 -5.629 -10.474 1.00 61.41 H new ATOM 0 HA LYS A 43 13.358 -7.846 -9.261 1.00 5.21 H new ATOM 0 HB2 LYS A 43 13.930 -5.147 -7.972 1.00 70.33 H new ATOM 0 HB3 LYS A 43 12.944 -6.428 -7.295 1.00 70.33 H new ATOM 0 HG2 LYS A 43 14.767 -7.731 -6.714 1.00 31.54 H new ATOM 0 HG3 LYS A 43 15.772 -7.109 -8.008 1.00 31.54 H new ATOM 0 HD2 LYS A 43 15.949 -4.926 -6.813 1.00 12.45 H new ATOM 0 HD3 LYS A 43 14.959 -5.562 -5.514 1.00 12.45 H new ATOM 0 HE2 LYS A 43 17.686 -6.599 -6.381 1.00 5.14 H new ATOM 0 HE3 LYS A 43 17.331 -5.707 -4.915 1.00 5.14 H new ATOM 0 HZ1 LYS A 43 17.456 -8.325 -4.960 1.00 23.51 H new ATOM 0 HZ2 LYS A 43 16.388 -7.504 -3.926 1.00 23.51 H new ATOM 0 HZ3 LYS A 43 15.817 -8.173 -5.378 1.00 23.51 H new ATOM 666 N SER A 44 11.192 -6.740 -9.839 1.00 42.10 N ATOM 667 CA SER A 44 9.957 -6.191 -10.385 1.00 74.04 C ATOM 668 C SER A 44 8.739 -6.869 -9.763 1.00 44.42 C ATOM 669 O SER A 44 8.865 -7.863 -9.049 1.00 25.54 O ATOM 670 CB SER A 44 9.927 -6.360 -11.906 1.00 30.04 C ATOM 671 OG SER A 44 9.920 -7.730 -12.266 1.00 73.44 O ATOM 0 H SER A 44 11.086 -7.649 -9.388 1.00 42.10 H new ATOM 0 HA SER A 44 9.923 -5.129 -10.144 1.00 74.04 H new ATOM 0 HB2 SER A 44 9.043 -5.869 -12.312 1.00 30.04 H new ATOM 0 HB3 SER A 44 10.795 -5.869 -12.347 1.00 30.04 H new ATOM 0 HG SER A 44 9.899 -7.812 -13.242 1.00 73.44 H new ATOM 677 N CYS A 45 7.560 -6.322 -10.040 1.00 61.30 N ATOM 678 CA CYS A 45 6.319 -6.872 -9.509 1.00 13.45 C ATOM 679 C CYS A 45 5.622 -7.745 -10.547 1.00 73.45 C ATOM 680 O CYS A 45 5.358 -7.307 -11.667 1.00 65.14 O ATOM 681 CB CYS A 45 5.385 -5.743 -9.066 1.00 42.15 C ATOM 682 SG CYS A 45 5.713 -5.123 -7.385 1.00 53.42 S ATOM 0 H CYS A 45 7.438 -5.498 -10.629 1.00 61.30 H new ATOM 0 HA CYS A 45 6.565 -7.491 -8.646 1.00 13.45 H new ATOM 0 HB2 CYS A 45 5.473 -4.916 -9.770 1.00 42.15 H new ATOM 0 HB3 CYS A 45 4.355 -6.097 -9.117 1.00 42.15 H new ATOM 687 N VAL A 46 5.325 -8.984 -10.168 1.00 22.24 N ATOM 688 CA VAL A 46 4.658 -9.920 -11.065 1.00 14.22 C ATOM 689 C VAL A 46 3.600 -10.731 -10.325 1.00 23.52 C ATOM 690 O VAL A 46 3.690 -10.961 -9.119 1.00 20.24 O ATOM 691 CB VAL A 46 5.664 -10.884 -11.720 1.00 20.30 C ATOM 692 CG1 VAL A 46 6.623 -10.123 -12.623 1.00 32.40 C ATOM 693 CG2 VAL A 46 6.424 -11.663 -10.657 1.00 62.11 C ATOM 0 H VAL A 46 5.536 -9.363 -9.245 1.00 22.24 H new ATOM 0 HA VAL A 46 4.178 -9.326 -11.842 1.00 14.22 H new ATOM 0 HB VAL A 46 5.112 -11.595 -12.334 1.00 20.30 H new ATOM 0 HG11 VAL A 46 7.326 -10.821 -13.077 1.00 32.40 H new ATOM 0 HG12 VAL A 46 6.060 -9.615 -13.406 1.00 32.40 H new ATOM 0 HG13 VAL A 46 7.171 -9.387 -12.034 1.00 32.40 H new ATOM 0 HG21 VAL A 46 7.131 -12.340 -11.137 1.00 62.11 H new ATOM 0 HG22 VAL A 46 6.966 -10.969 -10.015 1.00 62.11 H new ATOM 0 HG23 VAL A 46 5.721 -12.240 -10.056 1.00 62.11 H new ATOM 703 N PRO A 47 2.573 -11.178 -11.063 1.00 42.20 N ATOM 704 CA PRO A 47 1.479 -11.972 -10.498 1.00 34.31 C ATOM 705 C PRO A 47 1.926 -13.374 -10.097 1.00 5.55 C ATOM 706 O PRO A 47 1.519 -13.892 -9.057 1.00 11.32 O ATOM 707 CB PRO A 47 0.464 -12.042 -11.642 1.00 31.42 C ATOM 708 CG PRO A 47 1.275 -11.865 -12.879 1.00 13.11 C ATOM 709 CD PRO A 47 2.402 -10.942 -12.506 1.00 53.34 C ATOM 0 HA PRO A 47 1.083 -11.528 -9.585 1.00 34.31 H new ATOM 0 HB2 PRO A 47 -0.062 -12.997 -11.647 1.00 31.42 H new ATOM 0 HB3 PRO A 47 -0.292 -11.262 -11.549 1.00 31.42 H new ATOM 0 HG2 PRO A 47 1.656 -12.822 -13.236 1.00 13.11 H new ATOM 0 HG3 PRO A 47 0.673 -11.441 -13.683 1.00 13.11 H new ATOM 0 HD2 PRO A 47 3.311 -11.173 -13.061 1.00 53.34 H new ATOM 0 HD3 PRO A 47 2.156 -9.901 -12.717 1.00 53.34 H new ATOM 717 N ARG A 48 2.767 -13.982 -10.927 1.00 4.51 N ATOM 718 CA ARG A 48 3.270 -15.323 -10.658 1.00 71.53 C ATOM 719 C ARG A 48 4.778 -15.394 -10.882 1.00 75.55 C ATOM 720 O ARG A 48 5.277 -15.017 -11.943 1.00 72.20 O ATOM 721 CB ARG A 48 2.562 -16.344 -11.551 1.00 61.31 C ATOM 722 CG ARG A 48 1.046 -16.294 -11.450 1.00 63.32 C ATOM 723 CD ARG A 48 0.529 -17.229 -10.368 1.00 10.44 C ATOM 724 NE ARG A 48 -0.876 -17.573 -10.568 1.00 20.52 N ATOM 725 CZ ARG A 48 -1.296 -18.447 -11.476 1.00 51.11 C ATOM 726 NH1 ARG A 48 -0.424 -19.061 -12.263 1.00 62.13 N ATOM 727 NH2 ARG A 48 -2.591 -18.708 -11.598 1.00 34.00 N ATOM 0 H ARG A 48 3.114 -13.567 -11.792 1.00 4.51 H new ATOM 0 HA ARG A 48 3.064 -15.559 -9.614 1.00 71.53 H new ATOM 0 HB2 ARG A 48 2.854 -16.173 -12.587 1.00 61.31 H new ATOM 0 HB3 ARG A 48 2.903 -17.345 -11.285 1.00 61.31 H new ATOM 0 HG2 ARG A 48 0.728 -15.274 -11.234 1.00 63.32 H new ATOM 0 HG3 ARG A 48 0.607 -16.568 -12.409 1.00 63.32 H new ATOM 0 HD2 ARG A 48 1.128 -18.140 -10.360 1.00 10.44 H new ATOM 0 HD3 ARG A 48 0.652 -16.758 -9.393 1.00 10.44 H new ATOM 0 HE ARG A 48 -1.573 -17.117 -9.979 1.00 20.52 H new ATOM 0 HH11 ARG A 48 0.572 -18.863 -12.172 1.00 62.13 H new ATOM 0 HH12 ARG A 48 -0.749 -19.732 -12.959 1.00 62.13 H new ATOM 0 HH21 ARG A 48 -3.265 -18.237 -10.994 1.00 34.00 H new ATOM 0 HH22 ARG A 48 -2.912 -19.379 -12.296 1.00 34.00 H new ATOM 741 N CYS A 49 5.498 -15.880 -9.877 1.00 12.11 N ATOM 742 CA CYS A 49 6.948 -16.000 -9.963 1.00 2.15 C ATOM 743 C CYS A 49 7.406 -17.389 -9.526 1.00 51.40 C ATOM 744 O CYS A 49 7.052 -17.859 -8.445 1.00 22.43 O ATOM 745 CB CYS A 49 7.621 -14.933 -9.096 1.00 61.41 C ATOM 746 SG CYS A 49 9.439 -15.041 -9.062 1.00 63.44 S ATOM 0 H CYS A 49 5.101 -16.197 -8.993 1.00 12.11 H new ATOM 0 HA CYS A 49 7.239 -15.851 -11.003 1.00 2.15 H new ATOM 0 HB2 CYS A 49 7.333 -13.948 -9.462 1.00 61.41 H new ATOM 0 HB3 CYS A 49 7.244 -15.017 -8.077 1.00 61.41 H new ATOM 937 N SER A 62 22.472 -17.689 -12.472 1.00 40.11 N ATOM 938 CA SER A 62 21.345 -16.801 -12.213 1.00 51.43 C ATOM 939 C SER A 62 20.327 -17.468 -11.293 1.00 62.14 C ATOM 940 O SER A 62 19.867 -18.579 -11.559 1.00 32.24 O ATOM 941 CB SER A 62 20.674 -16.397 -13.528 1.00 31.43 C ATOM 942 OG SER A 62 21.638 -16.117 -14.528 1.00 2.35 O ATOM 0 HA SER A 62 21.725 -15.908 -11.718 1.00 51.43 H new ATOM 0 HB2 SER A 62 20.017 -17.199 -13.866 1.00 31.43 H new ATOM 0 HB3 SER A 62 20.048 -15.519 -13.366 1.00 31.43 H new ATOM 0 HG SER A 62 22.479 -16.569 -14.307 1.00 2.35 H new ATOM 948 N THR A 63 19.979 -16.782 -10.209 1.00 44.01 N ATOM 949 CA THR A 63 19.018 -17.307 -9.248 1.00 74.12 C ATOM 950 C THR A 63 17.817 -16.378 -9.109 1.00 31.25 C ATOM 951 O THR A 63 17.943 -15.250 -8.631 1.00 21.11 O ATOM 952 CB THR A 63 19.660 -17.509 -7.863 1.00 2.40 C ATOM 953 OG1 THR A 63 20.721 -16.566 -7.673 1.00 43.13 O ATOM 954 CG2 THR A 63 20.200 -18.923 -7.718 1.00 21.44 C ATOM 0 H THR A 63 20.349 -15.861 -9.975 1.00 44.01 H new ATOM 0 HA THR A 63 18.685 -18.273 -9.629 1.00 74.12 H new ATOM 0 HB THR A 63 18.893 -17.351 -7.105 1.00 2.40 H new ATOM 0 HG1 THR A 63 21.123 -16.700 -6.789 1.00 43.13 H new ATOM 0 HG21 THR A 63 20.649 -19.042 -6.732 1.00 21.44 H new ATOM 0 HG22 THR A 63 19.385 -19.637 -7.834 1.00 21.44 H new ATOM 0 HG23 THR A 63 20.954 -19.105 -8.484 1.00 21.44 H new ATOM 962 N THR A 64 16.650 -16.859 -9.528 1.00 24.14 N ATOM 963 CA THR A 64 15.427 -16.072 -9.450 1.00 14.45 C ATOM 964 C THR A 64 14.654 -16.381 -8.172 1.00 44.31 C ATOM 965 O THR A 64 14.149 -17.489 -7.994 1.00 12.21 O ATOM 966 CB THR A 64 14.514 -16.330 -10.663 1.00 72.10 C ATOM 967 OG1 THR A 64 15.264 -16.203 -11.876 1.00 70.42 O ATOM 968 CG2 THR A 64 13.346 -15.356 -10.679 1.00 12.31 C ATOM 0 H THR A 64 16.527 -17.791 -9.925 1.00 24.14 H new ATOM 0 HA THR A 64 15.726 -15.024 -9.446 1.00 14.45 H new ATOM 0 HB THR A 64 14.120 -17.343 -10.584 1.00 72.10 H new ATOM 0 HG1 THR A 64 14.677 -16.370 -12.643 1.00 70.42 H new ATOM 0 HG21 THR A 64 12.716 -15.558 -11.545 1.00 12.31 H new ATOM 0 HG22 THR A 64 12.760 -15.476 -9.768 1.00 12.31 H new ATOM 0 HG23 THR A 64 13.724 -14.335 -10.736 1.00 12.31 H new ATOM 976 N SER A 65 14.567 -15.394 -7.286 1.00 34.13 N ATOM 977 CA SER A 65 13.858 -15.562 -6.022 1.00 71.45 C ATOM 978 C SER A 65 12.450 -14.980 -6.108 1.00 22.24 C ATOM 979 O SER A 65 12.190 -14.066 -6.890 1.00 71.14 O ATOM 980 CB SER A 65 14.632 -14.891 -4.886 1.00 33.30 C ATOM 981 OG SER A 65 15.378 -13.784 -5.361 1.00 72.22 O ATOM 0 H SER A 65 14.978 -14.470 -7.420 1.00 34.13 H new ATOM 0 HA SER A 65 13.779 -16.630 -5.816 1.00 71.45 H new ATOM 0 HB2 SER A 65 13.937 -14.561 -4.114 1.00 33.30 H new ATOM 0 HB3 SER A 65 15.303 -15.614 -4.423 1.00 33.30 H new ATOM 0 HG SER A 65 15.862 -13.372 -4.615 1.00 72.22 H new ATOM 987 N CYS A 66 11.545 -15.517 -5.296 1.00 51.32 N ATOM 988 CA CYS A 66 10.163 -15.053 -5.278 1.00 50.12 C ATOM 989 C CYS A 66 9.635 -14.973 -3.849 1.00 13.42 C ATOM 990 O CYS A 66 9.969 -15.804 -3.004 1.00 74.00 O ATOM 991 CB CYS A 66 9.279 -15.986 -6.109 1.00 1.54 C ATOM 992 SG CYS A 66 9.978 -16.421 -7.733 1.00 63.24 S ATOM 0 H CYS A 66 11.744 -16.274 -4.642 1.00 51.32 H new ATOM 0 HA CYS A 66 10.135 -14.054 -5.713 1.00 50.12 H new ATOM 0 HB2 CYS A 66 9.103 -16.901 -5.544 1.00 1.54 H new ATOM 0 HB3 CYS A 66 8.309 -15.512 -6.258 1.00 1.54 H new ATOM 997 N CYS A 67 8.808 -13.966 -3.585 1.00 71.32 N ATOM 998 CA CYS A 67 8.233 -13.776 -2.259 1.00 53.22 C ATOM 999 C CYS A 67 6.937 -12.973 -2.338 1.00 62.24 C ATOM 1000 O CYS A 67 6.507 -12.577 -3.421 1.00 73.42 O ATOM 1001 CB CYS A 67 9.231 -13.064 -1.345 1.00 4.04 C ATOM 1002 SG CYS A 67 10.166 -11.730 -2.160 1.00 0.42 S ATOM 0 H CYS A 67 8.521 -13.269 -4.272 1.00 71.32 H new ATOM 0 HA CYS A 67 8.007 -14.758 -1.844 1.00 53.22 H new ATOM 0 HB2 CYS A 67 8.694 -12.648 -0.493 1.00 4.04 H new ATOM 0 HB3 CYS A 67 9.934 -13.798 -0.951 1.00 4.04 H new ATOM 1007 N GLN A 68 6.322 -12.738 -1.184 1.00 42.40 N ATOM 1008 CA GLN A 68 5.076 -11.983 -1.123 1.00 41.21 C ATOM 1009 C GLN A 68 5.067 -11.044 0.079 1.00 54.23 C ATOM 1010 O GLN A 68 4.027 -10.490 0.438 1.00 4.11 O ATOM 1011 CB GLN A 68 3.881 -12.935 -1.051 1.00 23.24 C ATOM 1012 CG GLN A 68 2.542 -12.249 -1.267 1.00 2.03 C ATOM 1013 CD GLN A 68 1.445 -13.220 -1.654 1.00 74.12 C ATOM 1014 OE1 GLN A 68 1.497 -13.844 -2.715 1.00 3.43 O ATOM 1015 NE2 GLN A 68 0.441 -13.354 -0.794 1.00 45.04 N ATOM 0 H GLN A 68 6.666 -13.059 -0.279 1.00 42.40 H new ATOM 0 HA GLN A 68 4.999 -11.383 -2.030 1.00 41.21 H new ATOM 0 HB2 GLN A 68 4.004 -13.717 -1.801 1.00 23.24 H new ATOM 0 HB3 GLN A 68 3.876 -13.425 -0.077 1.00 23.24 H new ATOM 0 HG2 GLN A 68 2.254 -11.727 -0.355 1.00 2.03 H new ATOM 0 HG3 GLN A 68 2.646 -11.495 -2.047 1.00 2.03 H new ATOM 0 HE21 GLN A 68 0.438 -12.818 0.074 1.00 45.04 H new ATOM 0 HE22 GLN A 68 -0.326 -13.993 -1.001 1.00 45.04 H new ATOM 1024 N TYR A 69 6.230 -10.870 0.696 1.00 13.22 N ATOM 1025 CA TYR A 69 6.355 -10.000 1.860 1.00 53.14 C ATOM 1026 C TYR A 69 6.835 -8.610 1.452 1.00 74.31 C ATOM 1027 O TYR A 69 7.589 -8.459 0.491 1.00 60.02 O ATOM 1028 CB TYR A 69 7.323 -10.608 2.876 1.00 72.23 C ATOM 1029 CG TYR A 69 7.807 -9.623 3.916 1.00 61.14 C ATOM 1030 CD1 TYR A 69 6.928 -9.064 4.834 1.00 13.13 C ATOM 1031 CD2 TYR A 69 9.145 -9.252 3.980 1.00 72.53 C ATOM 1032 CE1 TYR A 69 7.366 -8.163 5.785 1.00 12.14 C ATOM 1033 CE2 TYR A 69 9.592 -8.353 4.928 1.00 21.45 C ATOM 1034 CZ TYR A 69 8.699 -7.811 5.829 1.00 72.04 C ATOM 1035 OH TYR A 69 9.139 -6.915 6.775 1.00 5.05 O ATOM 0 H TYR A 69 7.100 -11.320 0.410 1.00 13.22 H new ATOM 0 HA TYR A 69 5.371 -9.905 2.318 1.00 53.14 H new ATOM 0 HB2 TYR A 69 6.833 -11.442 3.378 1.00 72.23 H new ATOM 0 HB3 TYR A 69 8.184 -11.016 2.346 1.00 72.23 H new ATOM 0 HD1 TYR A 69 5.884 -9.338 4.804 1.00 13.13 H new ATOM 0 HD2 TYR A 69 9.847 -9.674 3.276 1.00 72.53 H new ATOM 0 HE1 TYR A 69 6.668 -7.736 6.490 1.00 12.14 H new ATOM 0 HE2 TYR A 69 10.635 -8.076 4.964 1.00 21.45 H new ATOM 0 HH TYR A 69 10.103 -6.776 6.670 1.00 5.05 H new ATOM 1045 N ASP A 70 6.392 -7.599 2.190 1.00 11.42 N ATOM 1046 CA ASP A 70 6.777 -6.221 1.908 1.00 15.52 C ATOM 1047 C ASP A 70 8.295 -6.078 1.865 1.00 12.05 C ATOM 1048 O ASP A 70 8.995 -6.503 2.785 1.00 22.31 O ATOM 1049 CB ASP A 70 6.193 -5.280 2.963 1.00 0.54 C ATOM 1050 CG ASP A 70 4.743 -4.931 2.690 1.00 42.11 C ATOM 1051 OD1 ASP A 70 4.402 -4.690 1.513 1.00 63.55 O ATOM 1052 OD2 ASP A 70 3.949 -4.899 3.653 1.00 62.41 O ATOM 0 H ASP A 70 5.766 -7.707 2.988 1.00 11.42 H new ATOM 0 HA ASP A 70 6.377 -5.951 0.930 1.00 15.52 H new ATOM 0 HB2 ASP A 70 6.273 -5.746 3.945 1.00 0.54 H new ATOM 0 HB3 ASP A 70 6.784 -4.365 2.996 1.00 0.54 H new ATOM 1057 N LEU A 71 8.797 -5.478 0.792 1.00 24.11 N ATOM 1058 CA LEU A 71 10.233 -5.280 0.628 1.00 25.13 C ATOM 1059 C LEU A 71 10.995 -6.574 0.895 1.00 65.33 C ATOM 1060 O LEU A 71 12.106 -6.555 1.426 1.00 20.44 O ATOM 1061 CB LEU A 71 10.727 -4.181 1.571 1.00 43.15 C ATOM 1062 CG LEU A 71 9.886 -2.905 1.613 1.00 34.10 C ATOM 1063 CD1 LEU A 71 10.574 -1.839 2.451 1.00 20.12 C ATOM 1064 CD2 LEU A 71 9.624 -2.392 0.205 1.00 55.14 C ATOM 0 H LEU A 71 8.231 -5.120 0.022 1.00 24.11 H new ATOM 0 HA LEU A 71 10.418 -4.977 -0.403 1.00 25.13 H new ATOM 0 HB2 LEU A 71 10.779 -4.591 2.579 1.00 43.15 H new ATOM 0 HB3 LEU A 71 11.744 -3.913 1.283 1.00 43.15 H new ATOM 0 HG LEU A 71 8.928 -3.140 2.077 1.00 34.10 H new ATOM 0 HD11 LEU A 71 9.960 -0.938 2.469 1.00 20.12 H new ATOM 0 HD12 LEU A 71 10.709 -2.207 3.468 1.00 20.12 H new ATOM 0 HD13 LEU A 71 11.547 -1.607 2.017 1.00 20.12 H new ATOM 0 HD21 LEU A 71 9.024 -1.483 0.255 1.00 55.14 H new ATOM 0 HD22 LEU A 71 10.573 -2.174 -0.285 1.00 55.14 H new ATOM 0 HD23 LEU A 71 9.087 -3.151 -0.365 1.00 55.14 H new ATOM 1076 N CYS A 72 10.393 -7.698 0.520 1.00 54.41 N ATOM 1077 CA CYS A 72 11.014 -9.002 0.716 1.00 0.21 C ATOM 1078 C CYS A 72 12.273 -9.138 -0.135 1.00 43.10 C ATOM 1079 O CYS A 72 13.190 -9.883 0.209 1.00 13.11 O ATOM 1080 CB CYS A 72 10.027 -10.118 0.368 1.00 0.22 C ATOM 1081 SG CYS A 72 9.439 -10.080 -1.356 1.00 11.35 S ATOM 0 H CYS A 72 9.474 -7.731 0.078 1.00 54.41 H new ATOM 0 HA CYS A 72 11.295 -9.089 1.766 1.00 0.21 H new ATOM 0 HB2 CYS A 72 10.502 -11.081 0.557 1.00 0.22 H new ATOM 0 HB3 CYS A 72 9.168 -10.050 1.035 1.00 0.22 H new ATOM 1086 N ASN A 73 12.310 -8.412 -1.248 1.00 31.11 N ATOM 1087 CA ASN A 73 13.456 -8.452 -2.149 1.00 1.42 C ATOM 1088 C ASN A 73 14.433 -7.322 -1.836 1.00 22.41 C ATOM 1089 O ASN A 73 15.177 -6.872 -2.706 1.00 62.21 O ATOM 1090 CB ASN A 73 12.992 -8.351 -3.603 1.00 72.11 C ATOM 1091 CG ASN A 73 12.285 -7.041 -3.895 1.00 63.42 C ATOM 1092 OD1 ASN A 73 12.156 -6.185 -3.021 1.00 14.34 O ATOM 1093 ND2 ASN A 73 11.824 -6.881 -5.130 1.00 42.42 N ATOM 0 H ASN A 73 11.560 -7.789 -1.547 1.00 31.11 H new ATOM 0 HA ASN A 73 13.968 -9.403 -2.003 1.00 1.42 H new ATOM 0 HB2 ASN A 73 13.853 -8.451 -4.264 1.00 72.11 H new ATOM 0 HB3 ASN A 73 12.321 -9.180 -3.826 1.00 72.11 H new ATOM 0 HD21 ASN A 73 11.340 -6.021 -5.386 1.00 42.42 H new ATOM 0 HD22 ASN A 73 11.954 -7.619 -5.822 1.00 42.42 H new ATOM 1100 N GLY A 74 14.425 -6.869 -0.586 1.00 22.42 N ATOM 1101 CA GLY A 74 15.315 -5.797 -0.180 1.00 31.23 C ATOM 1102 C GLY A 74 16.686 -6.303 0.224 1.00 52.34 C ATOM 1103 O GLY A 74 17.111 -7.375 -0.207 1.00 52.42 O ATOM 0 H GLY A 74 13.818 -7.225 0.152 1.00 22.42 H new ATOM 0 HA2 GLY A 74 15.420 -5.086 -1.000 1.00 31.23 H new ATOM 0 HA3 GLY A 74 14.870 -5.256 0.655 1.00 31.23 H new