USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 408 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 Single : A 1 ASP N :NH3+ -174:sc= -0.553 (180deg=-0.637) USER MOD Single : A 2 THR OG1 : rot 151:sc= 2.07 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.56) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -3.12! K(o=-3.1!,f=-2) USER MOD Single : A 16 SER OG : rot 180:sc= -0.289 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -3.04! C(o=-3!,f=-4.2!) USER MOD Single : A 26 HIS : no HE2:sc= -0.435 K(o=-0.43,f=-1.4) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.087 USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= -2.19! (180deg=-3.97!) USER MOD Single : A 42 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0109) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0745 USER MOD Single : A 47 GLN : amide:sc= -2.04! C(o=-2!,f=-2.4!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -25:sc= 0.08 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.533 0.144 0.114 1.00 32.00 N ATOM 2 CA ASP A 1 2.193 0.141 -1.186 1.00 53.35 C ATOM 3 C ASP A 1 2.723 -1.249 -1.524 1.00 3.42 C ATOM 4 O ASP A 1 3.482 -1.421 -2.478 1.00 63.12 O ATOM 5 CB ASP A 1 3.337 1.156 -1.203 1.00 63.35 C ATOM 6 CG ASP A 1 3.035 2.383 -0.367 1.00 3.41 C ATOM 7 OD1 ASP A 1 1.954 2.980 -0.556 1.00 62.42 O ATOM 8 OD2 ASP A 1 3.880 2.748 0.478 1.00 73.42 O ATOM 0 H1 ASP A 1 1.093 1.072 0.278 1.00 32.00 H new ATOM 0 H2 ASP A 1 0.801 -0.595 0.134 1.00 32.00 H new ATOM 0 H3 ASP A 1 2.234 -0.043 0.859 1.00 32.00 H new ATOM 0 HA ASP A 1 1.458 0.422 -1.940 1.00 53.35 H new ATOM 0 HB2 ASP A 1 4.245 0.681 -0.831 1.00 63.35 H new ATOM 0 HB3 ASP A 1 3.534 1.460 -2.231 1.00 63.35 H new ATOM 13 N THR A 2 2.320 -2.239 -0.733 1.00 53.54 N ATOM 14 CA THR A 2 2.756 -3.613 -0.946 1.00 52.24 C ATOM 15 C THR A 2 2.430 -4.080 -2.360 1.00 60.13 C ATOM 16 O THR A 2 3.083 -4.977 -2.894 1.00 74.45 O ATOM 17 CB THR A 2 2.100 -4.573 0.064 1.00 72.25 C ATOM 18 OG1 THR A 2 0.889 -4.000 0.570 1.00 42.13 O ATOM 19 CG2 THR A 2 3.045 -4.874 1.217 1.00 62.23 C ATOM 0 H THR A 2 1.692 -2.114 0.061 1.00 53.54 H new ATOM 0 HA THR A 2 3.836 -3.628 -0.801 1.00 52.24 H new ATOM 0 HB THR A 2 1.872 -5.506 -0.451 1.00 72.25 H new ATOM 0 HG1 THR A 2 0.264 -4.716 0.811 1.00 42.13 H new ATOM 0 HG21 THR A 2 2.560 -5.554 1.917 1.00 62.23 H new ATOM 0 HG22 THR A 2 3.953 -5.337 0.832 1.00 62.23 H new ATOM 0 HG23 THR A 2 3.300 -3.947 1.730 1.00 62.23 H new ATOM 27 N CYS A 3 1.417 -3.466 -2.963 1.00 22.23 N ATOM 28 CA CYS A 3 1.004 -3.819 -4.316 1.00 3.13 C ATOM 29 C CYS A 3 -0.021 -2.822 -4.849 1.00 4.11 C ATOM 30 O CYS A 3 -0.837 -3.154 -5.707 1.00 34.02 O ATOM 31 CB CYS A 3 0.418 -5.232 -4.340 1.00 42.15 C ATOM 32 SG CYS A 3 0.272 -5.947 -6.010 1.00 30.04 S ATOM 0 H CYS A 3 0.867 -2.721 -2.535 1.00 22.23 H new ATOM 0 HA CYS A 3 1.884 -3.787 -4.958 1.00 3.13 H new ATOM 0 HB2 CYS A 3 1.044 -5.884 -3.730 1.00 42.15 H new ATOM 0 HB3 CYS A 3 -0.569 -5.213 -3.877 1.00 42.15 H new ATOM 37 N GLY A 4 0.030 -1.597 -4.334 1.00 34.13 N ATOM 38 CA GLY A 4 -0.899 -0.570 -4.769 1.00 62.45 C ATOM 39 C GLY A 4 -2.346 -0.967 -4.553 1.00 64.43 C ATOM 40 O GLY A 4 -3.252 -0.387 -5.150 1.00 23.31 O ATOM 0 H GLY A 4 0.698 -1.298 -3.624 1.00 34.13 H new ATOM 0 HA2 GLY A 4 -0.694 0.354 -4.227 1.00 62.45 H new ATOM 0 HA3 GLY A 4 -0.737 -0.362 -5.827 1.00 62.45 H new ATOM 44 N GLY A 5 -2.564 -1.962 -3.698 1.00 5.44 N ATOM 45 CA GLY A 5 -3.912 -2.420 -3.421 1.00 14.11 C ATOM 46 C GLY A 5 -4.138 -3.854 -3.857 1.00 55.14 C ATOM 47 O GLY A 5 -3.911 -4.201 -5.016 1.00 13.24 O ATOM 0 H GLY A 5 -1.830 -2.459 -3.192 1.00 5.44 H new ATOM 0 HA2 GLY A 5 -4.110 -2.333 -2.353 1.00 14.11 H new ATOM 0 HA3 GLY A 5 -4.625 -1.772 -3.931 1.00 14.11 H new ATOM 51 N GLY A 6 -4.586 -4.691 -2.926 1.00 53.12 N ATOM 52 CA GLY A 6 -4.834 -6.086 -3.240 1.00 3.00 C ATOM 53 C GLY A 6 -3.575 -6.928 -3.170 1.00 33.14 C ATOM 54 O GLY A 6 -3.488 -7.980 -3.803 1.00 62.13 O ATOM 0 H GLY A 6 -4.782 -4.428 -1.960 1.00 53.12 H new ATOM 0 HA2 GLY A 6 -5.574 -6.486 -2.546 1.00 3.00 H new ATOM 0 HA3 GLY A 6 -5.262 -6.160 -4.240 1.00 3.00 H new ATOM 58 N TYR A 7 -2.598 -6.465 -2.399 1.00 2.32 N ATOM 59 CA TYR A 7 -1.336 -7.181 -2.251 1.00 51.54 C ATOM 60 C TYR A 7 -1.548 -8.520 -1.553 1.00 32.22 C ATOM 61 O TYR A 7 -2.447 -8.667 -0.726 1.00 1.55 O ATOM 62 CB TYR A 7 -0.335 -6.335 -1.463 1.00 43.41 C ATOM 63 CG TYR A 7 -0.580 -6.340 0.029 1.00 41.11 C ATOM 64 CD1 TYR A 7 0.264 -7.032 0.889 1.00 61.12 C ATOM 65 CD2 TYR A 7 -1.656 -5.654 0.579 1.00 45.33 C ATOM 66 CE1 TYR A 7 0.044 -7.040 2.253 1.00 72.44 C ATOM 67 CE2 TYR A 7 -1.883 -5.655 1.941 1.00 24.23 C ATOM 68 CZ TYR A 7 -1.030 -6.350 2.774 1.00 75.10 C ATOM 69 OH TYR A 7 -1.254 -6.355 4.132 1.00 71.32 O ATOM 0 H TYR A 7 -2.655 -5.597 -1.867 1.00 2.32 H new ATOM 0 HA TYR A 7 -0.936 -7.371 -3.247 1.00 51.54 H new ATOM 0 HB2 TYR A 7 0.672 -6.703 -1.659 1.00 43.41 H new ATOM 0 HB3 TYR A 7 -0.375 -5.308 -1.826 1.00 43.41 H new ATOM 0 HD1 TYR A 7 1.107 -7.573 0.484 1.00 61.12 H new ATOM 0 HD2 TYR A 7 -2.326 -5.111 -0.070 1.00 45.33 H new ATOM 0 HE1 TYR A 7 0.709 -7.584 2.907 1.00 72.44 H new ATOM 0 HE2 TYR A 7 -2.723 -5.115 2.352 1.00 24.23 H new ATOM 0 HH TYR A 7 -2.050 -5.820 4.334 1.00 71.32 H new ATOM 79 N GLY A 8 -0.712 -9.497 -1.893 1.00 10.52 N ATOM 80 CA GLY A 8 -0.823 -10.812 -1.290 1.00 1.24 C ATOM 81 C GLY A 8 -0.135 -10.891 0.059 1.00 74.11 C ATOM 82 O GLY A 8 0.324 -9.880 0.590 1.00 13.14 O ATOM 0 H GLY A 8 0.040 -9.401 -2.575 1.00 10.52 H new ATOM 0 HA2 GLY A 8 -1.876 -11.067 -1.173 1.00 1.24 H new ATOM 0 HA3 GLY A 8 -0.388 -11.554 -1.960 1.00 1.24 H new ATOM 86 N VAL A 9 -0.065 -12.096 0.616 1.00 61.13 N ATOM 87 CA VAL A 9 0.571 -12.304 1.911 1.00 10.32 C ATOM 88 C VAL A 9 2.090 -12.332 1.780 1.00 54.12 C ATOM 89 O VAL A 9 2.808 -11.873 2.668 1.00 64.23 O ATOM 90 CB VAL A 9 0.099 -13.616 2.564 1.00 33.23 C ATOM 91 CG1 VAL A 9 -1.367 -13.519 2.959 1.00 72.43 C ATOM 92 CG2 VAL A 9 0.330 -14.791 1.626 1.00 25.12 C ATOM 0 H VAL A 9 -0.441 -12.943 0.190 1.00 61.13 H new ATOM 0 HA VAL A 9 0.279 -11.466 2.544 1.00 10.32 H new ATOM 0 HB VAL A 9 0.684 -13.782 3.469 1.00 33.23 H new ATOM 0 HG11 VAL A 9 -1.683 -14.456 3.419 1.00 72.43 H new ATOM 0 HG12 VAL A 9 -1.499 -12.703 3.670 1.00 72.43 H new ATOM 0 HG13 VAL A 9 -1.971 -13.329 2.072 1.00 72.43 H new ATOM 0 HG21 VAL A 9 -0.009 -15.710 2.104 1.00 25.12 H new ATOM 0 HG22 VAL A 9 -0.228 -14.635 0.703 1.00 25.12 H new ATOM 0 HG23 VAL A 9 1.393 -14.871 1.398 1.00 25.12 H new ATOM 102 N ASP A 10 2.571 -12.873 0.666 1.00 4.03 N ATOM 103 CA ASP A 10 4.006 -12.960 0.417 1.00 54.10 C ATOM 104 C ASP A 10 4.391 -12.158 -0.822 1.00 63.12 C ATOM 105 O ASP A 10 5.432 -12.403 -1.432 1.00 33.50 O ATOM 106 CB ASP A 10 4.428 -14.420 0.247 1.00 74.14 C ATOM 107 CG ASP A 10 5.934 -14.585 0.194 1.00 32.11 C ATOM 108 OD1 ASP A 10 6.479 -14.704 -0.923 1.00 64.11 O ATOM 109 OD2 ASP A 10 6.567 -14.594 1.270 1.00 30.32 O ATOM 0 H ASP A 10 1.989 -13.258 -0.078 1.00 4.03 H new ATOM 0 HA ASP A 10 4.526 -12.538 1.277 1.00 54.10 H new ATOM 0 HB2 ASP A 10 4.030 -15.009 1.073 1.00 74.14 H new ATOM 0 HB3 ASP A 10 3.989 -14.818 -0.668 1.00 74.14 H new ATOM 114 N GLN A 11 3.545 -11.201 -1.188 1.00 43.33 N ATOM 115 CA GLN A 11 3.798 -10.365 -2.356 1.00 14.51 C ATOM 116 C GLN A 11 4.119 -8.933 -1.941 1.00 2.42 C ATOM 117 O GLN A 11 3.473 -8.373 -1.055 1.00 51.21 O ATOM 118 CB GLN A 11 2.586 -10.377 -3.290 1.00 23.40 C ATOM 119 CG GLN A 11 2.047 -11.771 -3.568 1.00 31.35 C ATOM 120 CD GLN A 11 1.329 -11.865 -4.900 1.00 2.24 C ATOM 121 OE1 GLN A 11 0.542 -10.988 -5.257 1.00 3.32 O ATOM 122 NE2 GLN A 11 1.597 -12.932 -5.643 1.00 44.22 N ATOM 0 H GLN A 11 2.679 -10.985 -0.694 1.00 43.33 H new ATOM 0 HA GLN A 11 4.660 -10.773 -2.884 1.00 14.51 H new ATOM 0 HB2 GLN A 11 1.793 -9.771 -2.851 1.00 23.40 H new ATOM 0 HB3 GLN A 11 2.861 -9.907 -4.235 1.00 23.40 H new ATOM 0 HG2 GLN A 11 2.871 -12.485 -3.553 1.00 31.35 H new ATOM 0 HG3 GLN A 11 1.362 -12.057 -2.770 1.00 31.35 H new ATOM 0 HE21 GLN A 11 2.256 -13.634 -5.308 1.00 44.22 H new ATOM 0 HE22 GLN A 11 1.144 -13.049 -6.549 1.00 44.22 H new ATOM 131 N ARG A 12 5.122 -8.346 -2.586 1.00 51.21 N ATOM 132 CA ARG A 12 5.530 -6.980 -2.283 1.00 3.43 C ATOM 133 C ARG A 12 5.725 -6.173 -3.563 1.00 55.03 C ATOM 134 O ARG A 12 5.866 -6.737 -4.648 1.00 65.13 O ATOM 135 CB ARG A 12 6.824 -6.981 -1.467 1.00 3.32 C ATOM 136 CG ARG A 12 6.643 -7.466 -0.038 1.00 11.43 C ATOM 137 CD ARG A 12 5.768 -6.517 0.766 1.00 55.53 C ATOM 138 NE ARG A 12 5.797 -6.821 2.194 1.00 61.23 N ATOM 139 CZ ARG A 12 5.046 -7.759 2.761 1.00 40.32 C ATOM 140 NH1 ARG A 12 4.211 -8.479 2.025 1.00 64.43 N ATOM 141 NH2 ARG A 12 5.129 -7.977 4.067 1.00 64.10 N ATOM 0 H ARG A 12 5.667 -8.795 -3.322 1.00 51.21 H new ATOM 0 HA ARG A 12 4.738 -6.513 -1.697 1.00 3.43 H new ATOM 0 HB2 ARG A 12 7.558 -7.614 -1.966 1.00 3.32 H new ATOM 0 HB3 ARG A 12 7.233 -5.971 -1.450 1.00 3.32 H new ATOM 0 HG2 ARG A 12 6.194 -8.459 -0.044 1.00 11.43 H new ATOM 0 HG3 ARG A 12 7.617 -7.559 0.442 1.00 11.43 H new ATOM 0 HD2 ARG A 12 6.104 -5.492 0.607 1.00 55.53 H new ATOM 0 HD3 ARG A 12 4.742 -6.576 0.404 1.00 55.53 H new ATOM 0 HE ARG A 12 6.428 -6.284 2.789 1.00 61.23 H new ATOM 0 HH11 ARG A 12 4.144 -8.314 1.021 1.00 64.43 H new ATOM 0 HH12 ARG A 12 3.636 -9.198 2.463 1.00 64.43 H new ATOM 0 HH21 ARG A 12 5.770 -7.424 4.637 1.00 64.10 H new ATOM 0 HH22 ARG A 12 4.552 -8.697 4.501 1.00 64.10 H new ATOM 155 N ARG A 13 5.729 -4.851 -3.429 1.00 0.22 N ATOM 156 CA ARG A 13 5.904 -3.967 -4.575 1.00 11.11 C ATOM 157 C ARG A 13 7.375 -3.607 -4.764 1.00 54.33 C ATOM 158 O ARG A 13 8.071 -3.267 -3.807 1.00 33.11 O ATOM 159 CB ARG A 13 5.075 -2.694 -4.395 1.00 41.32 C ATOM 160 CG ARG A 13 4.935 -1.874 -5.667 1.00 54.23 C ATOM 161 CD ARG A 13 3.615 -2.156 -6.369 1.00 64.12 C ATOM 162 NE ARG A 13 3.729 -2.030 -7.820 1.00 23.33 N ATOM 163 CZ ARG A 13 3.785 -0.865 -8.454 1.00 53.52 C ATOM 164 NH1 ARG A 13 3.737 0.270 -7.769 1.00 63.32 N ATOM 165 NH2 ARG A 13 3.888 -0.832 -9.777 1.00 1.24 N ATOM 0 H ARG A 13 5.613 -4.368 -2.538 1.00 0.22 H new ATOM 0 HA ARG A 13 5.560 -4.494 -5.465 1.00 11.11 H new ATOM 0 HB2 ARG A 13 4.082 -2.965 -4.036 1.00 41.32 H new ATOM 0 HB3 ARG A 13 5.535 -2.077 -3.624 1.00 41.32 H new ATOM 0 HG2 ARG A 13 5.001 -0.813 -5.426 1.00 54.23 H new ATOM 0 HG3 ARG A 13 5.762 -2.100 -6.340 1.00 54.23 H new ATOM 0 HD2 ARG A 13 3.278 -3.162 -6.118 1.00 64.12 H new ATOM 0 HD3 ARG A 13 2.855 -1.465 -6.004 1.00 64.12 H new ATOM 0 HE ARG A 13 3.768 -2.884 -8.376 1.00 23.33 H new ATOM 0 HH11 ARG A 13 3.657 0.249 -6.752 1.00 63.32 H new ATOM 0 HH12 ARG A 13 3.780 1.164 -8.259 1.00 63.32 H new ATOM 0 HH21 ARG A 13 3.924 -1.702 -10.308 1.00 1.24 H new ATOM 0 HH22 ARG A 13 3.931 0.064 -10.263 1.00 1.24 H new ATOM 179 N THR A 14 7.842 -3.684 -6.006 1.00 43.25 N ATOM 180 CA THR A 14 9.230 -3.368 -6.322 1.00 33.03 C ATOM 181 C THR A 14 9.494 -1.872 -6.201 1.00 2.43 C ATOM 182 O THR A 14 8.617 -1.053 -6.472 1.00 11.01 O ATOM 183 CB THR A 14 9.602 -3.830 -7.743 1.00 62.40 C ATOM 184 OG1 THR A 14 9.126 -5.162 -7.965 1.00 62.43 O ATOM 185 CG2 THR A 14 11.109 -3.784 -7.950 1.00 15.50 C ATOM 0 H THR A 14 7.279 -3.963 -6.810 1.00 43.25 H new ATOM 0 HA THR A 14 9.848 -3.903 -5.601 1.00 33.03 H new ATOM 0 HB THR A 14 9.132 -3.153 -8.456 1.00 62.40 H new ATOM 0 HG1 THR A 14 9.365 -5.448 -8.871 1.00 62.43 H new ATOM 0 HG21 THR A 14 11.348 -4.115 -8.961 1.00 15.50 H new ATOM 0 HG22 THR A 14 11.465 -2.763 -7.809 1.00 15.50 H new ATOM 0 HG23 THR A 14 11.596 -4.441 -7.229 1.00 15.50 H new ATOM 193 N ASN A 15 10.709 -1.521 -5.792 1.00 65.33 N ATOM 194 CA ASN A 15 11.089 -0.122 -5.636 1.00 3.13 C ATOM 195 C ASN A 15 10.356 0.512 -4.458 1.00 11.32 C ATOM 196 O ASN A 15 10.247 1.735 -4.367 1.00 22.05 O ATOM 197 CB ASN A 15 10.788 0.657 -6.918 1.00 35.42 C ATOM 198 CG ASN A 15 11.115 -0.138 -8.167 1.00 51.13 C ATOM 199 OD1 ASN A 15 10.332 -0.173 -9.117 1.00 2.01 O ATOM 200 ND2 ASN A 15 12.277 -0.781 -8.172 1.00 33.02 N ATOM 0 H ASN A 15 11.447 -2.186 -5.563 1.00 65.33 H new ATOM 0 HA ASN A 15 12.160 -0.082 -5.439 1.00 3.13 H new ATOM 0 HB2 ASN A 15 9.734 0.934 -6.933 1.00 35.42 H new ATOM 0 HB3 ASN A 15 11.361 1.584 -6.920 1.00 35.42 H new ATOM 0 HD21 ASN A 15 12.552 -1.332 -8.985 1.00 33.02 H new ATOM 0 HD22 ASN A 15 12.895 -0.724 -7.362 1.00 33.02 H new ATOM 207 N SER A 16 9.855 -0.328 -3.558 1.00 11.01 N ATOM 208 CA SER A 16 9.129 0.150 -2.387 1.00 31.30 C ATOM 209 C SER A 16 9.948 -0.060 -1.117 1.00 70.10 C ATOM 210 O SER A 16 10.780 -0.963 -1.026 1.00 72.33 O ATOM 211 CB SER A 16 7.785 -0.571 -2.265 1.00 53.42 C ATOM 212 OG SER A 16 7.727 -1.346 -1.081 1.00 22.33 O ATOM 0 H SER A 16 9.938 -1.343 -3.617 1.00 11.01 H new ATOM 0 HA SER A 16 8.951 1.218 -2.512 1.00 31.30 H new ATOM 0 HB2 SER A 16 6.976 0.159 -2.265 1.00 53.42 H new ATOM 0 HB3 SER A 16 7.634 -1.214 -3.132 1.00 53.42 H new ATOM 0 HG SER A 16 6.858 -1.795 -1.026 1.00 22.33 H new ATOM 218 N PRO A 17 9.708 0.794 -0.111 1.00 42.44 N ATOM 219 CA PRO A 17 10.412 0.724 1.172 1.00 24.24 C ATOM 220 C PRO A 17 10.011 -0.501 1.987 1.00 11.12 C ATOM 221 O PRO A 17 8.831 -0.840 2.077 1.00 75.35 O ATOM 222 CB PRO A 17 9.978 2.007 1.886 1.00 64.40 C ATOM 223 CG PRO A 17 8.660 2.349 1.282 1.00 63.30 C ATOM 224 CD PRO A 17 8.731 1.895 -0.150 1.00 13.11 C ATOM 0 HA PRO A 17 11.491 0.637 1.041 1.00 24.24 H new ATOM 0 HB2 PRO A 17 9.892 1.852 2.962 1.00 64.40 H new ATOM 0 HB3 PRO A 17 10.702 2.808 1.736 1.00 64.40 H new ATOM 0 HG2 PRO A 17 7.847 1.850 1.810 1.00 63.30 H new ATOM 0 HG3 PRO A 17 8.469 3.420 1.343 1.00 63.30 H new ATOM 0 HD2 PRO A 17 7.760 1.558 -0.513 1.00 13.11 H new ATOM 0 HD3 PRO A 17 9.057 2.698 -0.811 1.00 13.11 H new ATOM 232 N CYS A 18 11.000 -1.161 2.581 1.00 74.13 N ATOM 233 CA CYS A 18 10.750 -2.349 3.389 1.00 41.43 C ATOM 234 C CYS A 18 11.234 -2.143 4.821 1.00 32.24 C ATOM 235 O CYS A 18 11.927 -1.171 5.119 1.00 54.40 O ATOM 236 CB CYS A 18 11.445 -3.565 2.774 1.00 41.15 C ATOM 237 SG CYS A 18 13.195 -3.287 2.352 1.00 4.12 S ATOM 0 H CYS A 18 11.982 -0.893 2.518 1.00 74.13 H new ATOM 0 HA CYS A 18 9.675 -2.525 3.409 1.00 41.43 H new ATOM 0 HB2 CYS A 18 11.379 -4.399 3.472 1.00 41.15 H new ATOM 0 HB3 CYS A 18 10.908 -3.860 1.873 1.00 41.15 H new ATOM 242 N GLN A 19 10.864 -3.066 5.703 1.00 34.31 N ATOM 243 CA GLN A 19 11.259 -2.986 7.104 1.00 4.11 C ATOM 244 C GLN A 19 12.668 -3.536 7.304 1.00 11.43 C ATOM 245 O GLN A 19 13.221 -4.190 6.420 1.00 12.55 O ATOM 246 CB GLN A 19 10.270 -3.755 7.981 1.00 74.45 C ATOM 247 CG GLN A 19 9.191 -2.878 8.595 1.00 50.22 C ATOM 248 CD GLN A 19 7.791 -3.335 8.235 1.00 62.05 C ATOM 249 OE1 GLN A 19 7.041 -3.808 9.089 1.00 62.43 O ATOM 250 NE2 GLN A 19 7.431 -3.196 6.964 1.00 2.50 N ATOM 0 H GLN A 19 10.291 -3.878 5.472 1.00 34.31 H new ATOM 0 HA GLN A 19 11.252 -1.936 7.397 1.00 4.11 H new ATOM 0 HB2 GLN A 19 9.797 -4.534 7.383 1.00 74.45 H new ATOM 0 HB3 GLN A 19 10.818 -4.255 8.780 1.00 74.45 H new ATOM 0 HG2 GLN A 19 9.301 -2.879 9.679 1.00 50.22 H new ATOM 0 HG3 GLN A 19 9.330 -1.850 8.261 1.00 50.22 H new ATOM 0 HE21 GLN A 19 8.085 -2.799 6.289 1.00 2.50 H new ATOM 0 HE22 GLN A 19 6.501 -3.486 6.663 1.00 2.50 H new ATOM 259 N ALA A 20 13.243 -3.265 8.471 1.00 31.25 N ATOM 260 CA ALA A 20 14.586 -3.734 8.788 1.00 23.11 C ATOM 261 C ALA A 20 14.634 -5.257 8.858 1.00 10.30 C ATOM 262 O ALA A 20 15.562 -5.882 8.345 1.00 33.31 O ATOM 263 CB ALA A 20 15.061 -3.128 10.101 1.00 61.44 C ATOM 0 H ALA A 20 12.800 -2.723 9.213 1.00 31.25 H new ATOM 0 HA ALA A 20 15.254 -3.412 7.989 1.00 23.11 H new ATOM 0 HB1 ALA A 20 16.065 -3.487 10.325 1.00 61.44 H new ATOM 0 HB2 ALA A 20 15.075 -2.041 10.016 1.00 61.44 H new ATOM 0 HB3 ALA A 20 14.384 -3.421 10.903 1.00 61.44 H new ATOM 269 N SER A 21 13.629 -5.847 9.497 1.00 52.04 N ATOM 270 CA SER A 21 13.559 -7.297 9.638 1.00 52.35 C ATOM 271 C SER A 21 13.317 -7.963 8.286 1.00 3.24 C ATOM 272 O SER A 21 13.688 -9.117 8.076 1.00 14.12 O ATOM 273 CB SER A 21 12.447 -7.682 10.615 1.00 32.20 C ATOM 274 OG SER A 21 12.890 -8.673 11.526 1.00 34.21 O ATOM 0 H SER A 21 12.852 -5.344 9.925 1.00 52.04 H new ATOM 0 HA SER A 21 14.514 -7.646 10.030 1.00 52.35 H new ATOM 0 HB2 SER A 21 12.119 -6.799 11.164 1.00 32.20 H new ATOM 0 HB3 SER A 21 11.584 -8.052 10.061 1.00 32.20 H new ATOM 0 HG SER A 21 12.162 -8.901 12.141 1.00 34.21 H new ATOM 280 N ASN A 22 12.693 -7.226 7.374 1.00 51.45 N ATOM 281 CA ASN A 22 12.401 -7.744 6.042 1.00 15.01 C ATOM 282 C ASN A 22 13.687 -8.080 5.294 1.00 3.15 C ATOM 283 O ASN A 22 13.676 -8.844 4.330 1.00 21.14 O ATOM 284 CB ASN A 22 11.585 -6.726 5.243 1.00 15.54 C ATOM 285 CG ASN A 22 10.230 -6.452 5.868 1.00 20.23 C ATOM 286 OD1 ASN A 22 9.963 -6.857 7.000 1.00 41.20 O ATOM 287 ND2 ASN A 22 9.367 -5.762 5.131 1.00 20.54 N ATOM 0 H ASN A 22 12.380 -6.268 7.532 1.00 51.45 H new ATOM 0 HA ASN A 22 11.818 -8.658 6.156 1.00 15.01 H new ATOM 0 HB2 ASN A 22 12.144 -5.793 5.171 1.00 15.54 H new ATOM 0 HB3 ASN A 22 11.445 -7.094 4.226 1.00 15.54 H new ATOM 0 HD21 ASN A 22 8.440 -5.548 5.498 1.00 20.54 H new ATOM 0 HD22 ASN A 22 9.631 -5.446 4.198 1.00 20.54 H new ATOM 294 N GLY A 23 14.796 -7.503 5.747 1.00 25.13 N ATOM 295 CA GLY A 23 16.076 -7.754 5.110 1.00 2.44 C ATOM 296 C GLY A 23 16.488 -9.210 5.190 1.00 70.31 C ATOM 297 O GLY A 23 17.390 -9.647 4.475 1.00 23.23 O ATOM 0 H GLY A 23 14.831 -6.867 6.543 1.00 25.13 H new ATOM 0 HA2 GLY A 23 16.023 -7.452 4.064 1.00 2.44 H new ATOM 0 HA3 GLY A 23 16.840 -7.137 5.582 1.00 2.44 H new ATOM 301 N ASP A 24 15.827 -9.963 6.062 1.00 21.41 N ATOM 302 CA ASP A 24 16.130 -11.380 6.233 1.00 12.41 C ATOM 303 C ASP A 24 14.962 -12.245 5.769 1.00 45.14 C ATOM 304 O ASP A 24 14.741 -13.338 6.290 1.00 64.12 O ATOM 305 CB ASP A 24 16.453 -11.681 7.697 1.00 11.34 C ATOM 306 CG ASP A 24 17.833 -11.196 8.097 1.00 33.23 C ATOM 307 OD1 ASP A 24 17.972 -10.659 9.216 1.00 10.32 O ATOM 308 OD2 ASP A 24 18.773 -11.355 7.292 1.00 64.21 O ATOM 0 H ASP A 24 15.078 -9.617 6.661 1.00 21.41 H new ATOM 0 HA ASP A 24 17.000 -11.617 5.621 1.00 12.41 H new ATOM 0 HB2 ASP A 24 15.706 -11.209 8.335 1.00 11.34 H new ATOM 0 HB3 ASP A 24 16.385 -12.755 7.868 1.00 11.34 H new ATOM 313 N ARG A 25 14.218 -11.747 4.786 1.00 21.54 N ATOM 314 CA ARG A 25 13.072 -12.474 4.253 1.00 11.04 C ATOM 315 C ARG A 25 12.926 -12.234 2.754 1.00 72.24 C ATOM 316 O ARG A 25 13.365 -11.208 2.232 1.00 32.35 O ATOM 317 CB ARG A 25 11.792 -12.050 4.976 1.00 73.14 C ATOM 318 CG ARG A 25 11.984 -11.808 6.464 1.00 53.43 C ATOM 319 CD ARG A 25 10.662 -11.513 7.155 1.00 33.33 C ATOM 320 NE ARG A 25 10.469 -12.341 8.343 1.00 4.33 N ATOM 321 CZ ARG A 25 9.336 -12.382 9.034 1.00 34.32 C ATOM 322 NH1 ARG A 25 8.298 -11.648 8.657 1.00 3.21 N ATOM 323 NH2 ARG A 25 9.238 -13.160 10.105 1.00 73.34 N ATOM 0 H ARG A 25 14.388 -10.844 4.343 1.00 21.54 H new ATOM 0 HA ARG A 25 13.239 -13.538 4.418 1.00 11.04 H new ATOM 0 HB2 ARG A 25 11.409 -11.139 4.515 1.00 73.14 H new ATOM 0 HB3 ARG A 25 11.034 -12.821 4.837 1.00 73.14 H new ATOM 0 HG2 ARG A 25 12.447 -12.684 6.920 1.00 53.43 H new ATOM 0 HG3 ARG A 25 12.668 -10.972 6.613 1.00 53.43 H new ATOM 0 HD2 ARG A 25 10.627 -10.461 7.437 1.00 33.33 H new ATOM 0 HD3 ARG A 25 9.842 -11.683 6.457 1.00 33.33 H new ATOM 0 HE ARG A 25 11.247 -12.919 8.659 1.00 4.33 H new ATOM 0 HH11 ARG A 25 8.369 -11.050 7.834 1.00 3.21 H new ATOM 0 HH12 ARG A 25 7.429 -11.682 9.190 1.00 3.21 H new ATOM 0 HH21 ARG A 25 10.034 -13.727 10.398 1.00 73.34 H new ATOM 0 HH22 ARG A 25 8.367 -13.191 10.635 1.00 73.34 H new ATOM 337 N HIS A 26 12.307 -13.188 2.065 1.00 54.55 N ATOM 338 CA HIS A 26 12.102 -13.080 0.624 1.00 5.03 C ATOM 339 C HIS A 26 10.616 -12.995 0.291 1.00 0.11 C ATOM 340 O HIS A 26 9.780 -13.572 0.986 1.00 15.34 O ATOM 341 CB HIS A 26 12.730 -14.276 -0.092 1.00 32.43 C ATOM 342 CG HIS A 26 14.227 -14.266 -0.077 1.00 4.52 C ATOM 343 ND1 HIS A 26 14.992 -15.355 -0.438 1.00 54.13 N ATOM 344 CD2 HIS A 26 15.102 -13.288 0.257 1.00 24.35 C ATOM 345 CE1 HIS A 26 16.272 -15.049 -0.325 1.00 52.25 C ATOM 346 NE2 HIS A 26 16.366 -13.800 0.095 1.00 62.13 N ATOM 0 H HIS A 26 11.939 -14.044 2.481 1.00 54.55 H new ATOM 0 HA HIS A 26 12.585 -12.165 0.280 1.00 5.03 H new ATOM 0 HB2 HIS A 26 12.377 -15.195 0.375 1.00 32.43 H new ATOM 0 HB3 HIS A 26 12.386 -14.291 -1.126 1.00 32.43 H new ATOM 0 HD1 HIS A 26 14.626 -16.257 -0.745 1.00 54.13 H new ATOM 0 HD2 HIS A 26 14.852 -12.291 0.589 1.00 24.35 H new ATOM 0 HE1 HIS A 26 17.101 -15.708 -0.539 1.00 52.25 H new ATOM 354 N PHE A 27 10.294 -12.271 -0.776 1.00 63.31 N ATOM 355 CA PHE A 27 8.909 -12.109 -1.200 1.00 75.24 C ATOM 356 C PHE A 27 8.788 -12.216 -2.718 1.00 3.12 C ATOM 357 O PHE A 27 9.673 -11.779 -3.454 1.00 52.55 O ATOM 358 CB PHE A 27 8.363 -10.760 -0.728 1.00 32.12 C ATOM 359 CG PHE A 27 8.016 -10.732 0.733 1.00 24.24 C ATOM 360 CD1 PHE A 27 6.695 -10.674 1.145 1.00 54.13 C ATOM 361 CD2 PHE A 27 9.013 -10.764 1.696 1.00 52.22 C ATOM 362 CE1 PHE A 27 6.372 -10.648 2.489 1.00 64.44 C ATOM 363 CE2 PHE A 27 8.697 -10.739 3.041 1.00 74.10 C ATOM 364 CZ PHE A 27 7.375 -10.680 3.438 1.00 71.01 C ATOM 0 H PHE A 27 10.974 -11.787 -1.363 1.00 63.31 H new ATOM 0 HA PHE A 27 8.322 -12.909 -0.749 1.00 75.24 H new ATOM 0 HB2 PHE A 27 9.103 -9.986 -0.932 1.00 32.12 H new ATOM 0 HB3 PHE A 27 7.474 -10.513 -1.309 1.00 32.12 H new ATOM 0 HD1 PHE A 27 5.907 -10.649 0.407 1.00 54.13 H new ATOM 0 HD2 PHE A 27 10.048 -10.809 1.391 1.00 52.22 H new ATOM 0 HE1 PHE A 27 5.338 -10.603 2.796 1.00 64.44 H new ATOM 0 HE2 PHE A 27 9.483 -10.766 3.781 1.00 74.10 H new ATOM 0 HZ PHE A 27 7.126 -10.659 4.489 1.00 71.01 H new ATOM 374 N CYS A 28 7.688 -12.801 -3.178 1.00 53.03 N ATOM 375 CA CYS A 28 7.450 -12.967 -4.607 1.00 62.31 C ATOM 376 C CYS A 28 6.642 -11.798 -5.164 1.00 24.42 C ATOM 377 O CYS A 28 5.535 -11.521 -4.705 1.00 41.10 O ATOM 378 CB CYS A 28 6.715 -14.282 -4.873 1.00 60.34 C ATOM 379 SG CYS A 28 7.799 -15.746 -4.909 1.00 71.01 S ATOM 0 H CYS A 28 6.946 -13.168 -2.582 1.00 53.03 H new ATOM 0 HA CYS A 28 8.416 -12.990 -5.111 1.00 62.31 H new ATOM 0 HB2 CYS A 28 5.956 -14.424 -4.103 1.00 60.34 H new ATOM 0 HB3 CYS A 28 6.192 -14.207 -5.826 1.00 60.34 H new ATOM 384 N GLY A 29 7.206 -11.117 -6.157 1.00 15.52 N ATOM 385 CA GLY A 29 6.524 -9.986 -6.760 1.00 64.01 C ATOM 386 C GLY A 29 5.057 -10.264 -7.019 1.00 60.33 C ATOM 387 O GLY A 29 4.647 -11.420 -7.135 1.00 3.24 O ATOM 0 H GLY A 29 8.122 -11.328 -6.554 1.00 15.52 H new ATOM 0 HA2 GLY A 29 6.616 -9.119 -6.106 1.00 64.01 H new ATOM 0 HA3 GLY A 29 7.013 -9.730 -7.700 1.00 64.01 H new ATOM 391 N CYS A 30 4.262 -9.203 -7.110 1.00 22.23 N ATOM 392 CA CYS A 30 2.831 -9.338 -7.355 1.00 4.55 C ATOM 393 C CYS A 30 2.571 -10.089 -8.657 1.00 34.55 C ATOM 394 O CYS A 30 1.504 -10.674 -8.845 1.00 34.23 O ATOM 395 CB CYS A 30 2.170 -7.959 -7.408 1.00 2.13 C ATOM 396 SG CYS A 30 0.841 -7.724 -6.185 1.00 35.22 S ATOM 0 H CYS A 30 4.585 -8.240 -7.018 1.00 22.23 H new ATOM 0 HA CYS A 30 2.399 -9.910 -6.534 1.00 4.55 H new ATOM 0 HB2 CYS A 30 2.933 -7.196 -7.251 1.00 2.13 H new ATOM 0 HB3 CYS A 30 1.762 -7.801 -8.407 1.00 2.13 H new ATOM 401 N ASP A 31 3.552 -10.070 -9.551 1.00 42.43 N ATOM 402 CA ASP A 31 3.430 -10.750 -10.835 1.00 63.32 C ATOM 403 C ASP A 31 3.732 -12.239 -10.692 1.00 45.31 C ATOM 404 O ASP A 31 3.508 -13.019 -11.617 1.00 64.43 O ATOM 405 CB ASP A 31 4.375 -10.122 -11.861 1.00 55.14 C ATOM 406 CG ASP A 31 3.754 -8.932 -12.567 1.00 32.30 C ATOM 407 OD1 ASP A 31 3.390 -9.070 -13.754 1.00 43.51 O ATOM 408 OD2 ASP A 31 3.631 -7.864 -11.932 1.00 33.41 O ATOM 0 H ASP A 31 4.441 -9.591 -9.411 1.00 42.43 H new ATOM 0 HA ASP A 31 2.403 -10.637 -11.182 1.00 63.32 H new ATOM 0 HB2 ASP A 31 5.291 -9.807 -11.362 1.00 55.14 H new ATOM 0 HB3 ASP A 31 4.656 -10.873 -12.599 1.00 55.14 H new ATOM 413 N ARG A 32 4.243 -12.624 -9.527 1.00 61.32 N ATOM 414 CA ARG A 32 4.578 -14.019 -9.264 1.00 3.50 C ATOM 415 C ARG A 32 5.559 -14.548 -10.306 1.00 71.12 C ATOM 416 O ARG A 32 5.696 -15.758 -10.488 1.00 73.42 O ATOM 417 CB ARG A 32 3.312 -14.877 -9.257 1.00 1.01 C ATOM 418 CG ARG A 32 2.199 -14.314 -8.388 1.00 4.01 C ATOM 419 CD ARG A 32 0.932 -14.072 -9.193 1.00 2.21 C ATOM 420 NE ARG A 32 0.179 -15.304 -9.412 1.00 41.30 N ATOM 421 CZ ARG A 32 -0.909 -15.375 -10.170 1.00 54.31 C ATOM 422 NH1 ARG A 32 -1.369 -14.290 -10.779 1.00 32.22 N ATOM 423 NH2 ARG A 32 -1.540 -16.532 -10.321 1.00 61.41 N ATOM 0 H ARG A 32 4.434 -11.990 -8.751 1.00 61.32 H new ATOM 0 HA ARG A 32 5.051 -14.075 -8.284 1.00 3.50 H new ATOM 0 HB2 ARG A 32 2.947 -14.979 -10.279 1.00 1.01 H new ATOM 0 HB3 ARG A 32 3.564 -15.878 -8.907 1.00 1.01 H new ATOM 0 HG2 ARG A 32 1.987 -15.006 -7.573 1.00 4.01 H new ATOM 0 HG3 ARG A 32 2.528 -13.379 -7.935 1.00 4.01 H new ATOM 0 HD2 ARG A 32 0.303 -13.351 -8.671 1.00 2.21 H new ATOM 0 HD3 ARG A 32 1.192 -13.631 -10.155 1.00 2.21 H new ATOM 0 HE ARG A 32 0.507 -16.157 -8.958 1.00 41.30 H new ATOM 0 HH11 ARG A 32 -0.887 -13.398 -10.666 1.00 32.22 H new ATOM 0 HH12 ARG A 32 -2.205 -14.347 -11.361 1.00 32.22 H new ATOM 0 HH21 ARG A 32 -1.190 -17.369 -9.855 1.00 61.41 H new ATOM 0 HH22 ARG A 32 -2.376 -16.585 -10.904 1.00 61.41 H new ATOM 437 N THR A 33 6.240 -13.633 -10.989 1.00 71.24 N ATOM 438 CA THR A 33 7.206 -14.007 -12.014 1.00 62.23 C ATOM 439 C THR A 33 8.633 -13.751 -11.544 1.00 44.20 C ATOM 440 O THR A 33 9.593 -14.212 -12.161 1.00 11.41 O ATOM 441 CB THR A 33 6.963 -13.235 -13.324 1.00 51.35 C ATOM 442 OG1 THR A 33 6.889 -11.830 -13.058 1.00 51.42 O ATOM 443 CG2 THR A 33 5.678 -13.697 -13.995 1.00 21.31 C ATOM 0 H THR A 33 6.140 -12.627 -10.851 1.00 71.24 H new ATOM 0 HA THR A 33 7.073 -15.073 -12.199 1.00 62.23 H new ATOM 0 HB THR A 33 7.797 -13.434 -13.997 1.00 51.35 H new ATOM 0 HG1 THR A 33 6.736 -11.346 -13.896 1.00 51.42 H new ATOM 0 HG21 THR A 33 5.528 -13.137 -14.918 1.00 21.31 H new ATOM 0 HG22 THR A 33 5.749 -14.761 -14.223 1.00 21.31 H new ATOM 0 HG23 THR A 33 4.835 -13.525 -13.325 1.00 21.31 H new ATOM 451 N GLY A 34 8.766 -13.012 -10.446 1.00 65.42 N ATOM 452 CA GLY A 34 10.081 -12.708 -9.912 1.00 31.24 C ATOM 453 C GLY A 34 10.071 -12.549 -8.404 1.00 41.12 C ATOM 454 O GLY A 34 9.045 -12.204 -7.817 1.00 22.53 O ATOM 0 H GLY A 34 7.987 -12.619 -9.917 1.00 65.42 H new ATOM 0 HA2 GLY A 34 10.774 -13.504 -10.186 1.00 31.24 H new ATOM 0 HA3 GLY A 34 10.452 -11.791 -10.369 1.00 31.24 H new ATOM 458 N ILE A 35 11.215 -12.801 -7.777 1.00 33.32 N ATOM 459 CA ILE A 35 11.333 -12.684 -6.329 1.00 30.43 C ATOM 460 C ILE A 35 12.183 -11.479 -5.942 1.00 64.11 C ATOM 461 O ILE A 35 13.266 -11.268 -6.489 1.00 21.41 O ATOM 462 CB ILE A 35 11.949 -13.953 -5.710 1.00 3.11 C ATOM 463 CG1 ILE A 35 11.306 -15.204 -6.311 1.00 32.31 C ATOM 464 CG2 ILE A 35 11.783 -13.939 -4.198 1.00 33.33 C ATOM 465 CD1 ILE A 35 11.843 -16.496 -5.736 1.00 5.13 C ATOM 0 H ILE A 35 12.073 -13.087 -8.249 1.00 33.32 H new ATOM 0 HA ILE A 35 10.323 -12.553 -5.940 1.00 30.43 H new ATOM 0 HB ILE A 35 13.015 -13.970 -5.938 1.00 3.11 H new ATOM 0 HG12 ILE A 35 10.229 -15.163 -6.148 1.00 32.31 H new ATOM 0 HG13 ILE A 35 11.465 -15.202 -7.389 1.00 32.31 H new ATOM 0 HG21 ILE A 35 12.223 -14.842 -3.775 1.00 33.33 H new ATOM 0 HG22 ILE A 35 12.284 -13.063 -3.785 1.00 33.33 H new ATOM 0 HG23 ILE A 35 10.723 -13.901 -3.949 1.00 33.33 H new ATOM 0 HD11 ILE A 35 11.342 -17.341 -6.209 1.00 5.13 H new ATOM 0 HD12 ILE A 35 12.915 -16.559 -5.923 1.00 5.13 H new ATOM 0 HD13 ILE A 35 11.660 -16.520 -4.662 1.00 5.13 H new ATOM 477 N VAL A 36 11.687 -10.691 -4.994 1.00 55.31 N ATOM 478 CA VAL A 36 12.402 -9.507 -4.531 1.00 73.53 C ATOM 479 C VAL A 36 12.693 -9.591 -3.037 1.00 51.22 C ATOM 480 O VAL A 36 11.884 -10.105 -2.265 1.00 40.44 O ATOM 481 CB VAL A 36 11.603 -8.222 -4.817 1.00 2.44 C ATOM 482 CG1 VAL A 36 11.170 -8.174 -6.274 1.00 34.41 C ATOM 483 CG2 VAL A 36 10.400 -8.125 -3.891 1.00 22.55 C ATOM 0 H VAL A 36 10.792 -10.851 -4.531 1.00 55.31 H new ATOM 0 HA VAL A 36 13.343 -9.470 -5.080 1.00 73.53 H new ATOM 0 HB VAL A 36 12.249 -7.365 -4.627 1.00 2.44 H new ATOM 0 HG11 VAL A 36 10.607 -7.259 -6.456 1.00 34.41 H new ATOM 0 HG12 VAL A 36 12.051 -8.192 -6.916 1.00 34.41 H new ATOM 0 HG13 VAL A 36 10.542 -9.037 -6.495 1.00 34.41 H new ATOM 0 HG21 VAL A 36 9.847 -7.211 -4.107 1.00 22.55 H new ATOM 0 HG22 VAL A 36 9.751 -8.987 -4.046 1.00 22.55 H new ATOM 0 HG23 VAL A 36 10.739 -8.108 -2.855 1.00 22.55 H new ATOM 493 N GLU A 37 13.854 -9.081 -2.637 1.00 34.23 N ATOM 494 CA GLU A 37 14.251 -9.099 -1.234 1.00 4.41 C ATOM 495 C GLU A 37 14.513 -7.684 -0.725 1.00 13.02 C ATOM 496 O GLU A 37 14.916 -6.803 -1.485 1.00 12.12 O ATOM 497 CB GLU A 37 15.503 -9.959 -1.046 1.00 74.22 C ATOM 498 CG GLU A 37 16.035 -9.957 0.377 1.00 41.12 C ATOM 499 CD GLU A 37 17.272 -10.818 0.538 1.00 25.41 C ATOM 500 OE1 GLU A 37 17.398 -11.486 1.587 1.00 55.55 O ATOM 501 OE2 GLU A 37 18.115 -10.825 -0.383 1.00 64.50 O ATOM 0 H GLU A 37 14.535 -8.651 -3.263 1.00 34.23 H new ATOM 0 HA GLU A 37 13.433 -9.530 -0.657 1.00 4.41 H new ATOM 0 HB2 GLU A 37 15.277 -10.984 -1.339 1.00 74.22 H new ATOM 0 HB3 GLU A 37 16.284 -9.601 -1.717 1.00 74.22 H new ATOM 0 HG2 GLU A 37 16.268 -8.934 0.672 1.00 41.12 H new ATOM 0 HG3 GLU A 37 15.258 -10.315 1.052 1.00 41.12 H new ATOM 508 N CYS A 38 14.280 -7.474 0.566 1.00 14.24 N ATOM 509 CA CYS A 38 14.488 -6.167 1.179 1.00 70.32 C ATOM 510 C CYS A 38 15.972 -5.813 1.213 1.00 51.01 C ATOM 511 O CYS A 38 16.716 -6.287 2.072 1.00 35.00 O ATOM 512 CB CYS A 38 13.915 -6.148 2.597 1.00 22.53 C ATOM 513 SG CYS A 38 14.296 -4.632 3.533 1.00 71.51 S ATOM 0 H CYS A 38 13.947 -8.193 1.209 1.00 14.24 H new ATOM 0 HA CYS A 38 13.968 -5.423 0.575 1.00 70.32 H new ATOM 0 HB2 CYS A 38 12.833 -6.266 2.542 1.00 22.53 H new ATOM 0 HB3 CYS A 38 14.301 -7.007 3.145 1.00 22.53 H new ATOM 518 N LYS A 39 16.396 -4.976 0.272 1.00 3.13 N ATOM 519 CA LYS A 39 17.790 -4.555 0.194 1.00 62.41 C ATOM 520 C LYS A 39 17.898 -3.034 0.156 1.00 64.43 C ATOM 521 O LYS A 39 17.108 -2.363 -0.506 1.00 43.31 O ATOM 522 CB LYS A 39 18.457 -5.156 -1.046 1.00 34.11 C ATOM 523 CG LYS A 39 19.387 -6.316 -0.735 1.00 34.01 C ATOM 524 CD LYS A 39 20.128 -6.784 -1.976 1.00 24.14 C ATOM 525 CE LYS A 39 19.175 -7.365 -3.009 1.00 3.20 C ATOM 526 NZ LYS A 39 19.905 -7.997 -4.143 1.00 33.22 N ATOM 0 H LYS A 39 15.794 -4.576 -0.448 1.00 3.13 H new ATOM 0 HA LYS A 39 18.303 -4.915 1.086 1.00 62.41 H new ATOM 0 HB2 LYS A 39 17.684 -5.496 -1.735 1.00 34.11 H new ATOM 0 HB3 LYS A 39 19.021 -4.377 -1.559 1.00 34.11 H new ATOM 0 HG2 LYS A 39 20.106 -6.013 0.027 1.00 34.01 H new ATOM 0 HG3 LYS A 39 18.812 -7.144 -0.320 1.00 34.01 H new ATOM 0 HD2 LYS A 39 20.673 -5.947 -2.413 1.00 24.14 H new ATOM 0 HD3 LYS A 39 20.867 -7.536 -1.698 1.00 24.14 H new ATOM 0 HE2 LYS A 39 18.531 -8.105 -2.534 1.00 3.20 H new ATOM 0 HE3 LYS A 39 18.526 -6.576 -3.389 1.00 3.20 H new ATOM 0 HZ1 LYS A 39 19.349 -7.892 -5.016 1.00 33.22 H new ATOM 0 HZ2 LYS A 39 20.828 -7.534 -4.263 1.00 33.22 H new ATOM 0 HZ3 LYS A 39 20.048 -9.008 -3.944 1.00 33.22 H new ATOM 540 N GLY A 40 18.884 -2.497 0.869 1.00 34.32 N ATOM 541 CA GLY A 40 19.078 -1.060 0.902 1.00 55.54 C ATOM 542 C GLY A 40 17.844 -0.319 1.377 1.00 14.42 C ATOM 543 O GLY A 40 17.695 0.877 1.129 1.00 11.14 O ATOM 0 H GLY A 40 19.552 -3.032 1.424 1.00 34.32 H new ATOM 0 HA2 GLY A 40 19.915 -0.825 1.559 1.00 55.54 H new ATOM 0 HA3 GLY A 40 19.347 -0.710 -0.095 1.00 55.54 H new ATOM 547 N GLY A 41 16.954 -1.031 2.062 1.00 22.50 N ATOM 548 CA GLY A 41 15.737 -0.418 2.561 1.00 44.21 C ATOM 549 C GLY A 41 14.625 -0.415 1.531 1.00 21.21 C ATOM 550 O GLY A 41 13.550 0.135 1.769 1.00 54.12 O ATOM 0 H GLY A 41 17.054 -2.022 2.280 1.00 22.50 H new ATOM 0 HA2 GLY A 41 15.403 -0.952 3.450 1.00 44.21 H new ATOM 0 HA3 GLY A 41 15.949 0.607 2.866 1.00 44.21 H new ATOM 554 N LYS A 42 14.883 -1.030 0.382 1.00 23.31 N ATOM 555 CA LYS A 42 13.896 -1.097 -0.689 1.00 65.32 C ATOM 556 C LYS A 42 13.847 -2.496 -1.296 1.00 54.44 C ATOM 557 O LYS A 42 14.862 -3.187 -1.369 1.00 63.23 O ATOM 558 CB LYS A 42 14.222 -0.069 -1.775 1.00 71.43 C ATOM 559 CG LYS A 42 15.467 -0.406 -2.578 1.00 11.13 C ATOM 560 CD LYS A 42 15.131 -0.701 -4.030 1.00 44.00 C ATOM 561 CE LYS A 42 14.602 0.534 -4.742 1.00 13.42 C ATOM 562 NZ LYS A 42 15.686 1.511 -5.039 1.00 61.35 N ATOM 0 H LYS A 42 15.768 -1.490 0.168 1.00 23.31 H new ATOM 0 HA LYS A 42 12.918 -0.870 -0.264 1.00 65.32 H new ATOM 0 HB2 LYS A 42 13.373 0.012 -2.454 1.00 71.43 H new ATOM 0 HB3 LYS A 42 14.353 0.908 -1.311 1.00 71.43 H new ATOM 0 HG2 LYS A 42 16.170 0.426 -2.528 1.00 11.13 H new ATOM 0 HG3 LYS A 42 15.964 -1.270 -2.136 1.00 11.13 H new ATOM 0 HD2 LYS A 42 16.021 -1.065 -4.544 1.00 44.00 H new ATOM 0 HD3 LYS A 42 14.387 -1.496 -4.078 1.00 44.00 H new ATOM 0 HE2 LYS A 42 14.116 0.237 -5.672 1.00 13.42 H new ATOM 0 HE3 LYS A 42 13.842 1.012 -4.124 1.00 13.42 H new ATOM 0 HZ1 LYS A 42 15.293 2.315 -5.569 1.00 61.35 H new ATOM 0 HZ2 LYS A 42 16.099 1.853 -4.148 1.00 61.35 H new ATOM 0 HZ3 LYS A 42 16.424 1.049 -5.608 1.00 61.35 H new ATOM 576 N TRP A 43 12.660 -2.904 -1.732 1.00 23.45 N ATOM 577 CA TRP A 43 12.479 -4.220 -2.334 1.00 64.31 C ATOM 578 C TRP A 43 13.159 -4.293 -3.697 1.00 31.10 C ATOM 579 O TRP A 43 12.795 -3.568 -4.624 1.00 34.34 O ATOM 580 CB TRP A 43 10.990 -4.539 -2.475 1.00 40.23 C ATOM 581 CG TRP A 43 10.322 -4.847 -1.170 1.00 22.45 C ATOM 582 CD1 TRP A 43 9.388 -4.087 -0.527 1.00 13.51 C ATOM 583 CD2 TRP A 43 10.539 -5.999 -0.347 1.00 5.11 C ATOM 584 NE1 TRP A 43 9.011 -4.696 0.646 1.00 50.33 N ATOM 585 CE2 TRP A 43 9.702 -5.871 0.779 1.00 44.32 C ATOM 586 CE3 TRP A 43 11.358 -7.127 -0.453 1.00 11.35 C ATOM 587 CZ2 TRP A 43 9.663 -6.827 1.790 1.00 62.33 C ATOM 588 CZ3 TRP A 43 11.318 -8.075 0.552 1.00 70.02 C ATOM 589 CH2 TRP A 43 10.475 -7.921 1.660 1.00 21.25 C ATOM 0 H TRP A 43 11.810 -2.343 -1.680 1.00 23.45 H new ATOM 0 HA TRP A 43 12.941 -4.959 -1.679 1.00 64.31 H new ATOM 0 HB2 TRP A 43 10.487 -3.692 -2.941 1.00 40.23 H new ATOM 0 HB3 TRP A 43 10.870 -5.390 -3.146 1.00 40.23 H new ATOM 0 HD1 TRP A 43 9.002 -3.145 -0.887 1.00 13.51 H new ATOM 0 HE1 TRP A 43 8.327 -4.332 1.310 1.00 50.33 H new ATOM 0 HE3 TRP A 43 12.010 -7.255 -1.304 1.00 11.35 H new ATOM 0 HZ2 TRP A 43 9.015 -6.710 2.646 1.00 62.33 H new ATOM 0 HZ3 TRP A 43 11.948 -8.950 0.482 1.00 70.02 H new ATOM 0 HH2 TRP A 43 10.466 -8.681 2.427 1.00 21.25 H new ATOM 600 N THR A 44 14.149 -5.173 -3.814 1.00 10.31 N ATOM 601 CA THR A 44 14.880 -5.339 -5.064 1.00 31.13 C ATOM 602 C THR A 44 14.838 -6.788 -5.537 1.00 11.44 C ATOM 603 O THR A 44 14.983 -7.714 -4.740 1.00 31.02 O ATOM 604 CB THR A 44 16.349 -4.901 -4.918 1.00 24.03 C ATOM 605 OG1 THR A 44 16.415 -3.514 -4.570 1.00 12.51 O ATOM 606 CG2 THR A 44 17.117 -5.142 -6.209 1.00 32.22 C ATOM 0 H THR A 44 14.463 -5.782 -3.058 1.00 10.31 H new ATOM 0 HA THR A 44 14.391 -4.704 -5.803 1.00 31.13 H new ATOM 0 HB THR A 44 16.805 -5.496 -4.126 1.00 24.03 H new ATOM 0 HG1 THR A 44 17.353 -3.244 -4.477 1.00 12.51 H new ATOM 0 HG21 THR A 44 18.152 -4.825 -6.081 1.00 32.22 H new ATOM 0 HG22 THR A 44 17.091 -6.203 -6.455 1.00 32.22 H new ATOM 0 HG23 THR A 44 16.659 -4.571 -7.017 1.00 32.22 H new ATOM 614 N GLU A 45 14.639 -6.975 -6.838 1.00 23.24 N ATOM 615 CA GLU A 45 14.578 -8.313 -7.415 1.00 44.43 C ATOM 616 C GLU A 45 15.910 -9.039 -7.247 1.00 34.32 C ATOM 617 O GLU A 45 16.965 -8.511 -7.597 1.00 64.55 O ATOM 618 CB GLU A 45 14.211 -8.235 -8.899 1.00 23.33 C ATOM 619 CG GLU A 45 13.536 -9.490 -9.425 1.00 33.52 C ATOM 620 CD GLU A 45 13.019 -9.325 -10.841 1.00 31.12 C ATOM 621 OE1 GLU A 45 13.249 -8.250 -11.434 1.00 35.04 O ATOM 622 OE2 GLU A 45 12.385 -10.270 -11.356 1.00 2.42 O ATOM 0 H GLU A 45 14.517 -6.218 -7.511 1.00 23.24 H new ATOM 0 HA GLU A 45 13.808 -8.875 -6.886 1.00 44.43 H new ATOM 0 HB2 GLU A 45 13.549 -7.383 -9.057 1.00 23.33 H new ATOM 0 HB3 GLU A 45 15.115 -8.048 -9.479 1.00 23.33 H new ATOM 0 HG2 GLU A 45 14.244 -10.318 -9.395 1.00 33.52 H new ATOM 0 HG3 GLU A 45 12.707 -9.755 -8.768 1.00 33.52 H new ATOM 629 N ILE A 46 15.851 -10.252 -6.707 1.00 73.13 N ATOM 630 CA ILE A 46 17.051 -11.051 -6.493 1.00 34.24 C ATOM 631 C ILE A 46 16.966 -12.381 -7.235 1.00 12.34 C ATOM 632 O ILE A 46 17.969 -13.072 -7.405 1.00 24.22 O ATOM 633 CB ILE A 46 17.284 -11.326 -4.995 1.00 54.12 C ATOM 634 CG1 ILE A 46 16.116 -12.126 -4.413 1.00 64.25 C ATOM 635 CG2 ILE A 46 17.466 -10.018 -4.239 1.00 35.41 C ATOM 636 CD1 ILE A 46 16.365 -12.620 -3.005 1.00 55.23 C ATOM 0 H ILE A 46 14.985 -10.702 -6.410 1.00 73.13 H new ATOM 0 HA ILE A 46 17.889 -10.473 -6.883 1.00 34.24 H new ATOM 0 HB ILE A 46 18.194 -11.916 -4.886 1.00 54.12 H new ATOM 0 HG12 ILE A 46 15.221 -11.503 -4.418 1.00 64.25 H new ATOM 0 HG13 ILE A 46 15.914 -12.980 -5.059 1.00 64.25 H new ATOM 0 HG21 ILE A 46 17.630 -10.228 -3.182 1.00 35.41 H new ATOM 0 HG22 ILE A 46 18.327 -9.483 -4.640 1.00 35.41 H new ATOM 0 HG23 ILE A 46 16.572 -9.405 -4.353 1.00 35.41 H new ATOM 0 HD11 ILE A 46 15.496 -13.178 -2.656 1.00 55.23 H new ATOM 0 HD12 ILE A 46 17.241 -13.269 -2.997 1.00 55.23 H new ATOM 0 HD13 ILE A 46 16.538 -11.769 -2.346 1.00 55.23 H new ATOM 648 N GLN A 47 15.762 -12.730 -7.675 1.00 74.42 N ATOM 649 CA GLN A 47 15.546 -13.977 -8.400 1.00 43.15 C ATOM 650 C GLN A 47 14.424 -13.826 -9.422 1.00 14.34 C ATOM 651 O GLN A 47 13.515 -13.015 -9.244 1.00 15.33 O ATOM 652 CB GLN A 47 15.216 -15.108 -7.425 1.00 60.35 C ATOM 653 CG GLN A 47 15.452 -16.495 -8.001 1.00 34.50 C ATOM 654 CD GLN A 47 14.357 -17.476 -7.628 1.00 53.43 C ATOM 655 OE1 GLN A 47 14.441 -18.159 -6.608 1.00 33.52 O ATOM 656 NE2 GLN A 47 13.321 -17.549 -8.456 1.00 13.23 N ATOM 0 H GLN A 47 14.921 -12.168 -7.543 1.00 74.42 H new ATOM 0 HA GLN A 47 16.465 -14.222 -8.932 1.00 43.15 H new ATOM 0 HB2 GLN A 47 15.820 -14.989 -6.526 1.00 60.35 H new ATOM 0 HB3 GLN A 47 14.173 -15.022 -7.122 1.00 60.35 H new ATOM 0 HG2 GLN A 47 15.519 -16.427 -9.087 1.00 34.50 H new ATOM 0 HG3 GLN A 47 16.410 -16.874 -7.646 1.00 34.50 H new ATOM 0 HE21 GLN A 47 13.293 -16.964 -9.291 1.00 13.23 H new ATOM 0 HE22 GLN A 47 12.553 -18.190 -8.257 1.00 13.23 H new ATOM 665 N ASP A 48 14.494 -14.611 -10.491 1.00 15.22 N ATOM 666 CA ASP A 48 13.482 -14.565 -11.541 1.00 4.13 C ATOM 667 C ASP A 48 12.816 -15.926 -11.714 1.00 24.33 C ATOM 668 O ASP A 48 13.456 -16.894 -12.128 1.00 14.02 O ATOM 669 CB ASP A 48 14.109 -14.118 -12.862 1.00 71.04 C ATOM 670 CG ASP A 48 13.087 -13.537 -13.820 1.00 4.40 C ATOM 671 OD1 ASP A 48 12.946 -12.296 -13.855 1.00 75.24 O ATOM 672 OD2 ASP A 48 12.431 -14.322 -14.535 1.00 15.14 O ATOM 0 H ASP A 48 15.240 -15.287 -10.654 1.00 15.22 H new ATOM 0 HA ASP A 48 12.720 -13.843 -11.247 1.00 4.13 H new ATOM 0 HB2 ASP A 48 14.879 -13.373 -12.662 1.00 71.04 H new ATOM 0 HB3 ASP A 48 14.602 -14.968 -13.333 1.00 71.04 H new ATOM 677 N CYS A 49 11.529 -15.994 -11.393 1.00 33.41 N ATOM 678 CA CYS A 49 10.775 -17.237 -11.511 1.00 4.01 C ATOM 679 C CYS A 49 10.449 -17.538 -12.971 1.00 35.43 C ATOM 680 O CYS A 49 10.238 -18.691 -13.345 1.00 73.04 O ATOM 681 CB CYS A 49 9.484 -17.155 -10.694 1.00 42.42 C ATOM 682 SG CYS A 49 9.576 -17.979 -9.072 1.00 43.04 S ATOM 0 H CYS A 49 10.985 -15.203 -11.049 1.00 33.41 H new ATOM 0 HA CYS A 49 11.392 -18.046 -11.121 1.00 4.01 H new ATOM 0 HB2 CYS A 49 9.229 -16.106 -10.543 1.00 42.42 H new ATOM 0 HB3 CYS A 49 8.673 -17.601 -11.270 1.00 42.42 H new ATOM 687 N GLY A 50 10.409 -16.492 -13.791 1.00 34.43 N ATOM 688 CA GLY A 50 10.107 -16.666 -15.200 1.00 2.43 C ATOM 689 C GLY A 50 8.617 -16.681 -15.476 1.00 51.12 C ATOM 690 O GLY A 50 8.136 -15.980 -16.365 1.00 42.34 O ATOM 0 H GLY A 50 10.580 -15.528 -13.505 1.00 34.43 H new ATOM 0 HA2 GLY A 50 10.571 -15.861 -15.770 1.00 2.43 H new ATOM 0 HA3 GLY A 50 10.548 -17.599 -15.550 1.00 2.43 H new ATOM 694 N GLY A 51 7.883 -17.485 -14.713 1.00 11.24 N ATOM 695 CA GLY A 51 6.446 -17.575 -14.897 1.00 23.02 C ATOM 696 C GLY A 51 5.675 -17.085 -13.687 1.00 72.34 C ATOM 697 O GLY A 51 6.157 -17.172 -12.558 1.00 72.25 O ATOM 0 H GLY A 51 8.258 -18.076 -13.971 1.00 11.24 H new ATOM 0 HA2 GLY A 51 6.157 -16.989 -15.770 1.00 23.02 H new ATOM 0 HA3 GLY A 51 6.173 -18.610 -15.103 1.00 23.02 H new ATOM 701 N ALA A 52 4.474 -16.567 -13.923 1.00 71.45 N ATOM 702 CA ALA A 52 3.634 -16.062 -12.844 1.00 63.14 C ATOM 703 C ALA A 52 3.038 -17.206 -12.031 1.00 74.04 C ATOM 704 O ALA A 52 1.850 -17.509 -12.147 1.00 1.21 O ATOM 705 CB ALA A 52 2.530 -15.178 -13.405 1.00 31.13 C ATOM 0 H ALA A 52 4.061 -16.486 -14.852 1.00 71.45 H new ATOM 0 HA ALA A 52 4.258 -15.466 -12.179 1.00 63.14 H new ATOM 0 HB1 ALA A 52 1.910 -14.808 -12.588 1.00 31.13 H new ATOM 0 HB2 ALA A 52 2.973 -14.335 -13.935 1.00 31.13 H new ATOM 0 HB3 ALA A 52 1.915 -15.757 -14.094 1.00 31.13 H new ATOM 711 N SER A 53 3.869 -17.839 -11.210 1.00 3.31 N ATOM 712 CA SER A 53 3.424 -18.953 -10.381 1.00 4.22 C ATOM 713 C SER A 53 4.138 -18.945 -9.032 1.00 53.02 C ATOM 714 O SER A 53 4.026 -19.891 -8.252 1.00 31.01 O ATOM 715 CB SER A 53 3.677 -20.281 -11.096 1.00 70.24 C ATOM 716 OG SER A 53 2.478 -20.801 -11.646 1.00 3.45 O ATOM 0 H SER A 53 4.854 -17.600 -11.101 1.00 3.31 H new ATOM 0 HA SER A 53 2.354 -18.840 -10.207 1.00 4.22 H new ATOM 0 HB2 SER A 53 4.412 -20.137 -11.888 1.00 70.24 H new ATOM 0 HB3 SER A 53 4.101 -21.000 -10.395 1.00 70.24 H new ATOM 0 HG SER A 53 2.667 -21.649 -12.099 1.00 3.45 H new ATOM 722 N CYS A 54 4.872 -17.870 -8.764 1.00 74.14 N ATOM 723 CA CYS A 54 5.605 -17.737 -7.511 1.00 54.23 C ATOM 724 C CYS A 54 4.661 -17.390 -6.363 1.00 72.43 C ATOM 725 O CYS A 54 3.932 -16.400 -6.423 1.00 34.31 O ATOM 726 CB CYS A 54 6.685 -16.661 -7.640 1.00 70.11 C ATOM 727 SG CYS A 54 8.032 -16.811 -6.423 1.00 0.31 S ATOM 0 H CYS A 54 4.975 -17.078 -9.398 1.00 74.14 H new ATOM 0 HA CYS A 54 6.079 -18.694 -7.292 1.00 54.23 H new ATOM 0 HB2 CYS A 54 7.109 -16.705 -8.643 1.00 70.11 H new ATOM 0 HB3 CYS A 54 6.221 -15.681 -7.533 1.00 70.11 H new ATOM 732 N ARG A 55 4.681 -18.213 -5.319 1.00 40.35 N ATOM 733 CA ARG A 55 3.827 -17.994 -4.158 1.00 60.42 C ATOM 734 C ARG A 55 4.587 -18.274 -2.865 1.00 15.24 C ATOM 735 O ARG A 55 5.350 -19.234 -2.776 1.00 71.40 O ATOM 736 CB ARG A 55 2.586 -18.886 -4.236 1.00 41.33 C ATOM 737 CG ARG A 55 1.279 -18.125 -4.084 1.00 42.24 C ATOM 738 CD ARG A 55 1.250 -17.320 -2.794 1.00 72.05 C ATOM 739 NE ARG A 55 -0.076 -17.316 -2.182 1.00 21.33 N ATOM 740 CZ ARG A 55 -0.565 -18.334 -1.482 1.00 2.03 C ATOM 741 NH1 ARG A 55 0.159 -19.431 -1.306 1.00 41.24 N ATOM 742 NH2 ARG A 55 -1.780 -18.255 -0.955 1.00 31.41 N ATOM 0 H ARG A 55 5.279 -19.037 -5.254 1.00 40.35 H new ATOM 0 HA ARG A 55 3.516 -16.949 -4.158 1.00 60.42 H new ATOM 0 HB2 ARG A 55 2.584 -19.408 -5.193 1.00 41.33 H new ATOM 0 HB3 ARG A 55 2.646 -19.647 -3.458 1.00 41.33 H new ATOM 0 HG2 ARG A 55 1.145 -17.457 -4.934 1.00 42.24 H new ATOM 0 HG3 ARG A 55 0.445 -18.826 -4.095 1.00 42.24 H new ATOM 0 HD2 ARG A 55 1.972 -17.735 -2.091 1.00 72.05 H new ATOM 0 HD3 ARG A 55 1.558 -16.295 -2.999 1.00 72.05 H new ATOM 0 HE ARG A 55 -0.658 -16.487 -2.298 1.00 21.33 H new ATOM 0 HH11 ARG A 55 1.094 -19.495 -1.708 1.00 41.24 H new ATOM 0 HH12 ARG A 55 -0.219 -20.211 -0.768 1.00 41.24 H new ATOM 0 HH21 ARG A 55 -2.339 -17.412 -1.087 1.00 31.41 H new ATOM 0 HH22 ARG A 55 -2.155 -19.037 -0.418 1.00 31.41 H new ATOM 756 N GLY A 56 4.371 -17.426 -1.863 1.00 23.10 N ATOM 757 CA GLY A 56 5.043 -17.598 -0.588 1.00 70.41 C ATOM 758 C GLY A 56 4.098 -17.455 0.589 1.00 64.52 C ATOM 759 O GLY A 56 2.879 -17.496 0.424 1.00 21.12 O ATOM 0 H GLY A 56 3.743 -16.624 -1.912 1.00 23.10 H new ATOM 0 HA2 GLY A 56 5.511 -18.582 -0.557 1.00 70.41 H new ATOM 0 HA3 GLY A 56 5.842 -16.862 -0.500 1.00 70.41 H new ATOM 763 N VAL A 57 4.662 -17.289 1.781 1.00 20.22 N ATOM 764 CA VAL A 57 3.862 -17.141 2.991 1.00 51.41 C ATOM 765 C VAL A 57 4.017 -15.745 3.585 1.00 63.04 C ATOM 766 O VAL A 57 4.912 -14.992 3.200 1.00 14.30 O ATOM 767 CB VAL A 57 4.252 -18.185 4.054 1.00 51.03 C ATOM 768 CG1 VAL A 57 3.915 -19.588 3.573 1.00 62.15 C ATOM 769 CG2 VAL A 57 5.730 -18.070 4.396 1.00 73.13 C ATOM 0 H VAL A 57 5.670 -17.254 1.935 1.00 20.22 H new ATOM 0 HA VAL A 57 2.822 -17.298 2.704 1.00 51.41 H new ATOM 0 HB VAL A 57 3.677 -17.989 4.959 1.00 51.03 H new ATOM 0 HG11 VAL A 57 4.198 -20.312 4.337 1.00 62.15 H new ATOM 0 HG12 VAL A 57 2.844 -19.660 3.383 1.00 62.15 H new ATOM 0 HG13 VAL A 57 4.462 -19.799 2.654 1.00 62.15 H new ATOM 0 HG21 VAL A 57 5.988 -18.815 5.149 1.00 73.13 H new ATOM 0 HG22 VAL A 57 6.325 -18.239 3.499 1.00 73.13 H new ATOM 0 HG23 VAL A 57 5.937 -17.073 4.786 1.00 73.13 H new ATOM 779 N SER A 58 3.141 -15.407 4.525 1.00 55.24 N ATOM 780 CA SER A 58 3.178 -14.100 5.170 1.00 11.30 C ATOM 781 C SER A 58 4.495 -13.898 5.913 1.00 20.43 C ATOM 782 O SER A 58 4.862 -12.774 6.253 1.00 41.24 O ATOM 783 CB SER A 58 2.004 -13.953 6.140 1.00 1.32 C ATOM 784 OG SER A 58 1.910 -12.626 6.629 1.00 13.01 O ATOM 0 H SER A 58 2.397 -16.020 4.857 1.00 55.24 H new ATOM 0 HA SER A 58 3.097 -13.337 4.395 1.00 11.30 H new ATOM 0 HB2 SER A 58 1.076 -14.225 5.637 1.00 1.32 H new ATOM 0 HB3 SER A 58 2.129 -14.643 6.974 1.00 1.32 H new ATOM 0 HG SER A 58 2.791 -12.198 6.585 1.00 13.01 H new ATOM 790 N GLN A 59 5.201 -14.997 6.162 1.00 14.12 N ATOM 791 CA GLN A 59 6.477 -14.942 6.866 1.00 55.52 C ATOM 792 C GLN A 59 7.641 -14.941 5.881 1.00 24.05 C ATOM 793 O GLN A 59 8.798 -15.095 6.273 1.00 53.55 O ATOM 794 CB GLN A 59 6.605 -16.125 7.826 1.00 22.30 C ATOM 795 CG GLN A 59 5.588 -16.106 8.955 1.00 32.04 C ATOM 796 CD GLN A 59 4.820 -17.408 9.072 1.00 64.21 C ATOM 797 OE1 GLN A 59 5.206 -18.304 9.824 1.00 73.14 O ATOM 798 NE2 GLN A 59 3.727 -17.520 8.327 1.00 61.04 N ATOM 0 H GLN A 59 4.911 -15.935 5.887 1.00 14.12 H new ATOM 0 HA GLN A 59 6.509 -14.015 7.439 1.00 55.52 H new ATOM 0 HB2 GLN A 59 6.494 -17.052 7.264 1.00 22.30 H new ATOM 0 HB3 GLN A 59 7.608 -16.129 8.252 1.00 22.30 H new ATOM 0 HG2 GLN A 59 6.100 -15.905 9.896 1.00 32.04 H new ATOM 0 HG3 GLN A 59 4.886 -15.288 8.793 1.00 32.04 H new ATOM 0 HE21 GLN A 59 3.444 -16.752 7.718 1.00 61.04 H new ATOM 0 HE22 GLN A 59 3.170 -18.374 8.364 1.00 61.04 H new ATOM 807 N GLY A 60 7.328 -14.768 4.601 1.00 51.41 N ATOM 808 CA GLY A 60 8.360 -14.751 3.580 1.00 35.04 C ATOM 809 C GLY A 60 8.545 -16.104 2.922 1.00 42.54 C ATOM 810 O GLY A 60 7.581 -16.718 2.467 1.00 42.23 O ATOM 0 H GLY A 60 6.378 -14.639 4.252 1.00 51.41 H new ATOM 0 HA2 GLY A 60 8.103 -14.013 2.820 1.00 35.04 H new ATOM 0 HA3 GLY A 60 9.303 -14.435 4.026 1.00 35.04 H new ATOM 814 N GLY A 61 9.790 -16.569 2.869 1.00 53.45 N ATOM 815 CA GLY A 61 10.076 -17.853 2.257 1.00 62.11 C ATOM 816 C GLY A 61 9.505 -17.969 0.858 1.00 74.42 C ATOM 817 O GLY A 61 9.064 -19.043 0.448 1.00 54.45 O ATOM 0 H GLY A 61 10.605 -16.079 3.239 1.00 53.45 H new ATOM 0 HA2 GLY A 61 11.155 -18.001 2.219 1.00 62.11 H new ATOM 0 HA3 GLY A 61 9.667 -18.648 2.880 1.00 62.11 H new ATOM 821 N ALA A 62 9.510 -16.861 0.124 1.00 64.51 N ATOM 822 CA ALA A 62 8.989 -16.844 -1.237 1.00 51.11 C ATOM 823 C ALA A 62 9.601 -17.962 -2.074 1.00 42.11 C ATOM 824 O ALA A 62 10.823 -18.095 -2.150 1.00 73.22 O ATOM 825 CB ALA A 62 9.251 -15.493 -1.885 1.00 52.43 C ATOM 0 H ALA A 62 9.869 -15.963 0.449 1.00 64.51 H new ATOM 0 HA ALA A 62 7.913 -17.010 -1.190 1.00 51.11 H new ATOM 0 HB1 ALA A 62 8.857 -15.494 -2.901 1.00 52.43 H new ATOM 0 HB2 ALA A 62 8.760 -14.711 -1.306 1.00 52.43 H new ATOM 0 HB3 ALA A 62 10.324 -15.305 -1.913 1.00 52.43 H new ATOM 831 N ARG A 63 8.745 -18.763 -2.700 1.00 22.23 N ATOM 832 CA ARG A 63 9.203 -19.871 -3.530 1.00 32.14 C ATOM 833 C ARG A 63 8.417 -19.933 -4.836 1.00 15.41 C ATOM 834 O ARG A 63 7.252 -19.537 -4.891 1.00 51.44 O ATOM 835 CB ARG A 63 9.062 -21.194 -2.774 1.00 40.04 C ATOM 836 CG ARG A 63 7.649 -21.470 -2.287 1.00 51.13 C ATOM 837 CD ARG A 63 7.488 -21.119 -0.817 1.00 2.35 C ATOM 838 NE ARG A 63 6.650 -22.084 -0.112 1.00 35.53 N ATOM 839 CZ ARG A 63 5.322 -22.062 -0.139 1.00 34.43 C ATOM 840 NH1 ARG A 63 4.685 -21.129 -0.832 1.00 52.12 N ATOM 841 NH2 ARG A 63 4.628 -22.976 0.529 1.00 51.24 N ATOM 0 H ARG A 63 7.731 -18.666 -2.648 1.00 22.23 H new ATOM 0 HA ARG A 63 10.254 -19.705 -3.766 1.00 32.14 H new ATOM 0 HB2 ARG A 63 9.379 -22.010 -3.424 1.00 40.04 H new ATOM 0 HB3 ARG A 63 9.737 -21.187 -1.918 1.00 40.04 H new ATOM 0 HG2 ARG A 63 6.939 -20.893 -2.880 1.00 51.13 H new ATOM 0 HG3 ARG A 63 7.410 -22.522 -2.439 1.00 51.13 H new ATOM 0 HD2 ARG A 63 8.469 -21.078 -0.345 1.00 2.35 H new ATOM 0 HD3 ARG A 63 7.050 -20.125 -0.728 1.00 2.35 H new ATOM 0 HE ARG A 63 7.109 -22.815 0.431 1.00 35.53 H new ATOM 0 HH11 ARG A 63 5.214 -20.425 -1.347 1.00 52.12 H new ATOM 0 HH12 ARG A 63 3.665 -21.115 -0.851 1.00 52.12 H new ATOM 0 HH21 ARG A 63 5.115 -23.696 1.063 1.00 51.24 H new ATOM 0 HH22 ARG A 63 3.608 -22.958 0.508 1.00 51.24 H new ATOM 855 N CYS A 64 9.061 -20.431 -5.885 1.00 61.25 N ATOM 856 CA CYS A 64 8.424 -20.544 -7.192 1.00 21.21 C ATOM 857 C CYS A 64 7.352 -21.630 -7.182 1.00 52.01 C ATOM 858 O CYS A 64 6.979 -22.138 -6.124 1.00 54.54 O ATOM 859 CB CYS A 64 9.468 -20.853 -8.267 1.00 2.22 C ATOM 860 SG CYS A 64 9.211 -19.958 -9.832 1.00 54.43 S ATOM 0 H CYS A 64 10.025 -20.763 -5.856 1.00 61.25 H new ATOM 0 HA CYS A 64 7.949 -19.590 -7.420 1.00 21.21 H new ATOM 0 HB2 CYS A 64 10.457 -20.608 -7.879 1.00 2.22 H new ATOM 0 HB3 CYS A 64 9.461 -21.924 -8.468 1.00 2.22 H new TER 865 CYS A 64