USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 455 hydrogens (2 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 VAL N :NH3+ 180:sc= -0.297 (180deg=-0.297) USER MOD Single : A 5 TYR OH : rot 170:sc= 1.24 USER MOD Single : A 8 GLN : amide:sc= 1.18 K(o=1.2,f=-0.0085) USER MOD Single : A 11 ASN : amide:sc= -0.343 K(o=-0.34,f=-7.3!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.135 USER MOD Single : A 25 THR OG1 : rot 137:sc= 0.359 USER MOD Single : A 28 LYS NZ :NH3+ 139:sc= 0.0939 (180deg=-0.316) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -0.0527 (180deg=-0.373) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -15:sc= 1 USER MOD Single : A 36 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-0.25) USER MOD Single : A 40 LYS NZ :NH3+ 144:sc= 0.354 (180deg=-0.493) USER MOD Single : A 43 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-5!) USER MOD Single : A 50 ASN : amide:sc= 1.08 K(o=1.1,f=-4.6!) USER MOD Single : A 55 ASN : amide:sc= 0.0718 K(o=0.072,f=-3.2) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-1.7) USER MOD Single : A 67 SER OG : rot 6:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 7.005 12.184 5.291 1.00 0.00 N ATOM 2 CA VAL A 1 6.604 10.924 4.614 1.00 0.00 C ATOM 3 C VAL A 1 5.573 10.187 5.430 1.00 0.00 C ATOM 4 O VAL A 1 5.215 10.585 6.540 1.00 0.00 O ATOM 5 CB VAL A 1 7.810 10.029 4.307 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.676 10.709 3.228 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.626 9.683 5.573 1.00 0.00 C ATOM 0 H1 VAL A 1 7.716 12.677 4.714 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.171 12.794 5.410 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.409 11.964 6.224 1.00 0.00 H new ATOM 0 HA VAL A 1 6.157 11.194 3.657 1.00 0.00 H new ATOM 0 HB VAL A 1 7.449 9.074 3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 1 9.537 10.080 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.085 10.852 2.324 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.020 11.677 3.594 1.00 0.00 H new ATOM 0 HG21 VAL A 1 9.469 9.047 5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.997 10.601 6.029 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.989 9.156 6.284 1.00 0.00 H new ATOM 19 N ARG A 2 5.056 9.085 4.850 1.00 0.00 N ATOM 20 CA ARG A 2 3.961 8.305 5.350 1.00 0.00 C ATOM 21 C ARG A 2 4.524 6.923 5.518 1.00 0.00 C ATOM 22 O ARG A 2 5.467 6.552 4.813 1.00 0.00 O ATOM 23 CB ARG A 2 2.831 8.206 4.290 1.00 0.00 C ATOM 24 CG ARG A 2 2.455 9.555 3.644 1.00 0.00 C ATOM 25 CD ARG A 2 1.819 9.401 2.253 1.00 0.00 C ATOM 26 NE ARG A 2 0.376 8.996 2.381 1.00 0.00 N ATOM 27 CZ ARG A 2 -0.674 9.860 2.219 1.00 0.00 C ATOM 28 NH1 ARG A 2 -0.481 11.150 1.822 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.945 9.418 2.461 1.00 0.00 N ATOM 0 H ARG A 2 5.428 8.715 3.975 1.00 0.00 H new ATOM 0 HA ARG A 2 3.554 8.742 6.262 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.141 7.514 3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.944 7.780 4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.761 10.083 4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.349 10.173 3.562 1.00 0.00 H new ATOM 0 HD2 ARG A 2 1.893 10.341 1.706 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.364 8.653 1.677 1.00 0.00 H new ATOM 0 HE ARG A 2 0.168 8.022 2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 2 0.462 11.491 1.638 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -1.280 11.774 1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -2.102 8.455 2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.736 10.051 2.344 1.00 0.00 H new ATOM 43 N ASP A 3 3.942 6.105 6.421 1.00 0.00 N ATOM 44 CA ASP A 3 4.211 4.692 6.462 1.00 0.00 C ATOM 45 C ASP A 3 2.811 4.240 6.675 1.00 0.00 C ATOM 46 O ASP A 3 2.113 4.861 7.480 1.00 0.00 O ATOM 47 CB ASP A 3 5.067 4.187 7.659 1.00 0.00 C ATOM 48 CG ASP A 3 6.283 5.086 7.892 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.173 5.126 7.003 1.00 0.00 O ATOM 50 OD2 ASP A 3 6.343 5.737 8.968 1.00 0.00 O ATOM 0 H ASP A 3 3.280 6.424 7.128 1.00 0.00 H new ATOM 0 HA ASP A 3 4.777 4.346 5.597 1.00 0.00 H new ATOM 0 HB2 ASP A 3 4.455 4.159 8.560 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.398 3.166 7.467 1.00 0.00 H new ATOM 55 N GLY A 4 2.322 3.237 5.925 1.00 0.00 N ATOM 56 CA GLY A 4 1.041 2.684 6.234 1.00 0.00 C ATOM 57 C GLY A 4 1.083 1.395 5.515 1.00 0.00 C ATOM 58 O GLY A 4 2.129 1.027 4.975 1.00 0.00 O ATOM 0 H GLY A 4 2.798 2.818 5.126 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.903 2.549 7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.227 3.320 5.885 1.00 0.00 H new ATOM 62 N TYR A 5 -0.094 0.746 5.369 1.00 0.00 N ATOM 63 CA TYR A 5 -0.270 -0.289 4.384 1.00 0.00 C ATOM 64 C TYR A 5 -0.367 0.464 3.082 1.00 0.00 C ATOM 65 O TYR A 5 -0.939 1.551 3.062 1.00 0.00 O ATOM 66 CB TYR A 5 -1.570 -1.101 4.596 1.00 0.00 C ATOM 67 CG TYR A 5 -1.379 -2.242 5.553 1.00 0.00 C ATOM 68 CD1 TYR A 5 -1.357 -2.022 6.940 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.265 -3.557 5.073 1.00 0.00 C ATOM 70 CE1 TYR A 5 -1.223 -3.096 7.828 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.149 -4.635 5.956 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.143 -4.406 7.339 1.00 0.00 C ATOM 73 OH TYR A 5 -1.096 -5.491 8.240 1.00 0.00 O ATOM 0 H TYR A 5 -0.923 0.937 5.932 1.00 0.00 H new ATOM 0 HA TYR A 5 0.545 -1.012 4.428 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.351 -0.441 4.973 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.915 -1.488 3.637 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.444 -1.017 7.324 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.267 -3.738 4.008 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.181 -2.914 8.892 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.064 -5.641 5.574 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.204 -6.331 7.747 1.00 0.00 H new ATOM 83 N ILE A 6 0.203 -0.053 1.978 1.00 0.00 N ATOM 84 CA ILE A 6 0.130 0.620 0.711 1.00 0.00 C ATOM 85 C ILE A 6 -1.120 0.090 0.059 1.00 0.00 C ATOM 86 O ILE A 6 -1.439 -1.113 0.124 1.00 0.00 O ATOM 87 CB ILE A 6 1.388 0.580 -0.166 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.270 1.512 -1.402 1.00 0.00 C ATOM 89 CG2 ILE A 6 1.721 -0.863 -0.562 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.536 1.646 -2.254 1.00 0.00 C ATOM 0 H ILE A 6 0.714 -0.935 1.959 1.00 0.00 H new ATOM 0 HA ILE A 6 0.078 1.698 0.867 1.00 0.00 H new ATOM 0 HB ILE A 6 2.219 0.965 0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.464 1.144 -2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.978 2.505 -1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.616 -0.872 -1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.897 -1.455 0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.887 -1.289 -1.120 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.343 2.319 -3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.344 2.048 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.823 0.666 -2.636 1.00 0.00 H new ATOM 102 N ALA A 7 -1.851 1.070 -0.519 1.00 0.00 N ATOM 103 CA ALA A 7 -3.082 0.929 -1.232 1.00 0.00 C ATOM 104 C ALA A 7 -2.768 1.194 -2.661 1.00 0.00 C ATOM 105 O ALA A 7 -1.651 0.994 -3.120 1.00 0.00 O ATOM 106 CB ALA A 7 -4.151 1.965 -0.828 1.00 0.00 C ATOM 0 H ALA A 7 -1.548 2.043 -0.480 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.479 -0.064 -1.022 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.058 1.798 -1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.376 1.861 0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.776 2.970 -1.022 1.00 0.00 H new ATOM 112 N GLN A 8 -3.770 1.724 -3.378 1.00 0.00 N ATOM 113 CA GLN A 8 -3.643 2.224 -4.707 1.00 0.00 C ATOM 114 C GLN A 8 -3.942 3.659 -4.404 1.00 0.00 C ATOM 115 O GLN A 8 -4.743 3.851 -3.482 1.00 0.00 O ATOM 116 CB GLN A 8 -4.685 1.589 -5.648 1.00 0.00 C ATOM 117 CG GLN A 8 -4.485 0.067 -5.721 1.00 0.00 C ATOM 118 CD GLN A 8 -5.666 -0.561 -6.452 1.00 0.00 C ATOM 119 OE1 GLN A 8 -5.796 -0.385 -7.667 1.00 0.00 O ATOM 120 NE2 GLN A 8 -6.537 -1.299 -5.707 1.00 0.00 N ATOM 0 H GLN A 8 -4.718 1.808 -3.011 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.700 2.033 -5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.690 1.813 -5.292 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.596 2.022 -6.644 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.556 -0.165 -6.241 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.401 -0.349 -4.717 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.382 -1.413 -4.705 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.344 -1.738 -6.151 1.00 0.00 H new ATOM 129 N PRO A 9 -3.308 4.654 -5.032 1.00 0.00 N ATOM 130 CA PRO A 9 -2.902 5.876 -4.336 1.00 0.00 C ATOM 131 C PRO A 9 -3.969 6.883 -4.009 1.00 0.00 C ATOM 132 O PRO A 9 -3.643 8.068 -3.954 1.00 0.00 O ATOM 133 CB PRO A 9 -1.906 6.555 -5.296 1.00 0.00 C ATOM 134 CG PRO A 9 -1.317 5.404 -6.110 1.00 0.00 C ATOM 135 CD PRO A 9 -2.507 4.456 -6.250 1.00 0.00 C ATOM 0 HA PRO A 9 -2.524 5.571 -3.360 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.405 7.281 -5.938 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.131 7.092 -4.750 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.949 5.739 -7.080 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.479 4.931 -5.597 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.088 4.684 -7.144 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.177 3.421 -6.339 1.00 0.00 H new ATOM 143 N GLU A 10 -5.219 6.466 -3.784 1.00 0.00 N ATOM 144 CA GLU A 10 -6.311 7.345 -3.506 1.00 0.00 C ATOM 145 C GLU A 10 -6.747 6.871 -2.161 1.00 0.00 C ATOM 146 O GLU A 10 -6.394 7.439 -1.133 1.00 0.00 O ATOM 147 CB GLU A 10 -7.432 7.288 -4.575 1.00 0.00 C ATOM 148 CG GLU A 10 -6.969 7.666 -6.001 1.00 0.00 C ATOM 149 CD GLU A 10 -6.197 6.523 -6.664 1.00 0.00 C ATOM 150 OE1 GLU A 10 -6.648 5.353 -6.546 1.00 0.00 O ATOM 151 OE2 GLU A 10 -5.138 6.804 -7.285 1.00 0.00 O ATOM 0 H GLU A 10 -5.484 5.481 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.037 8.400 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.848 6.281 -4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.237 7.959 -4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.836 7.921 -6.610 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.338 8.554 -5.956 1.00 0.00 H new ATOM 158 N ASN A 11 -7.491 5.763 -2.133 1.00 0.00 N ATOM 159 CA ASN A 11 -7.768 5.002 -0.963 1.00 0.00 C ATOM 160 C ASN A 11 -8.152 3.788 -1.720 1.00 0.00 C ATOM 161 O ASN A 11 -8.736 3.960 -2.790 1.00 0.00 O ATOM 162 CB ASN A 11 -8.989 5.468 -0.124 1.00 0.00 C ATOM 163 CG ASN A 11 -9.078 4.660 1.174 1.00 0.00 C ATOM 164 OD1 ASN A 11 -8.206 3.843 1.487 1.00 0.00 O ATOM 165 ND2 ASN A 11 -10.109 4.969 2.018 1.00 0.00 N ATOM 0 H ASN A 11 -7.924 5.375 -2.971 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.971 4.988 -0.220 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.898 6.530 0.105 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.905 5.344 -0.702 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.172 4.521 2.932 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.815 5.648 1.733 1.00 0.00 H new ATOM 172 N CYS A 12 -7.797 2.604 -1.209 1.00 0.00 N ATOM 173 CA CYS A 12 -8.170 1.283 -1.666 1.00 0.00 C ATOM 174 C CYS A 12 -7.298 0.474 -0.759 1.00 0.00 C ATOM 175 O CYS A 12 -6.862 0.983 0.273 1.00 0.00 O ATOM 176 CB CYS A 12 -7.876 0.926 -3.166 1.00 0.00 C ATOM 177 SG CYS A 12 -9.082 1.534 -4.383 1.00 0.00 S ATOM 0 H CYS A 12 -7.187 2.554 -0.393 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.249 1.131 -1.631 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.895 1.323 -3.427 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.815 -0.159 -3.255 1.00 0.00 H new ATOM 182 N VAL A 13 -6.978 -0.774 -1.148 1.00 0.00 N ATOM 183 CA VAL A 13 -5.866 -1.537 -0.680 1.00 0.00 C ATOM 184 C VAL A 13 -5.265 -1.882 -2.006 1.00 0.00 C ATOM 185 O VAL A 13 -5.918 -1.702 -3.039 1.00 0.00 O ATOM 186 CB VAL A 13 -6.224 -2.814 0.068 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.453 -2.456 1.546 1.00 0.00 C ATOM 188 CG2 VAL A 13 -7.429 -3.532 -0.581 1.00 0.00 C ATOM 0 H VAL A 13 -7.535 -1.281 -1.835 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.252 -1.001 0.044 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.405 -3.531 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.711 -3.357 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.543 -2.022 1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.267 -1.735 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.657 -4.439 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -8.296 -2.871 -0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.186 -3.793 -1.611 1.00 0.00 H new ATOM 198 N TYR A 14 -4.022 -2.405 -2.007 1.00 0.00 N ATOM 199 CA TYR A 14 -3.449 -3.089 -3.142 1.00 0.00 C ATOM 200 C TYR A 14 -3.909 -4.503 -2.955 1.00 0.00 C ATOM 201 O TYR A 14 -4.828 -4.758 -2.187 1.00 0.00 O ATOM 202 CB TYR A 14 -1.892 -3.003 -3.180 1.00 0.00 C ATOM 203 CG TYR A 14 -1.369 -2.346 -4.432 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.848 -2.689 -5.710 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.357 -1.376 -4.332 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.379 -2.024 -6.852 1.00 0.00 C ATOM 207 CE2 TYR A 14 0.107 -0.702 -5.466 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.414 -1.014 -6.727 1.00 0.00 C ATOM 209 OH TYR A 14 0.046 -0.306 -7.855 1.00 0.00 O ATOM 0 H TYR A 14 -3.396 -2.354 -1.203 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.763 -2.647 -4.088 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.543 -2.446 -2.311 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.476 -4.008 -3.102 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.584 -3.472 -5.812 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.068 -1.148 -3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.761 -2.289 -7.827 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.867 0.059 -5.369 1.00 0.00 H new ATOM 0 HH TYR A 14 0.712 0.356 -7.576 1.00 0.00 H new ATOM 219 N HIS A 15 -3.288 -5.477 -3.621 1.00 0.00 N ATOM 220 CA HIS A 15 -3.462 -6.842 -3.284 1.00 0.00 C ATOM 221 C HIS A 15 -2.057 -7.203 -3.566 1.00 0.00 C ATOM 222 O HIS A 15 -1.306 -6.381 -4.103 1.00 0.00 O ATOM 223 CB HIS A 15 -4.468 -7.625 -4.154 1.00 0.00 C ATOM 224 CG HIS A 15 -5.875 -7.310 -3.723 1.00 0.00 C ATOM 225 ND1 HIS A 15 -6.633 -6.310 -4.274 1.00 0.00 N ATOM 226 CD2 HIS A 15 -6.561 -7.792 -2.662 1.00 0.00 C ATOM 227 CE1 HIS A 15 -7.749 -6.197 -3.562 1.00 0.00 C ATOM 228 NE2 HIS A 15 -7.730 -7.086 -2.580 1.00 0.00 N ATOM 0 H HIS A 15 -2.656 -5.315 -4.405 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.880 -7.052 -2.300 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.333 -7.364 -5.204 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -4.283 -8.695 -4.065 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -6.245 -8.586 -2.002 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.545 -5.493 -3.753 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.462 -7.221 -1.882 1.00 0.00 H new ATOM 237 N CYS A 16 -1.636 -8.399 -3.173 1.00 0.00 N ATOM 238 CA CYS A 16 -0.284 -8.794 -3.339 1.00 0.00 C ATOM 239 C CYS A 16 -0.535 -10.248 -3.222 1.00 0.00 C ATOM 240 O CYS A 16 -1.632 -10.708 -3.541 1.00 0.00 O ATOM 241 CB CYS A 16 0.680 -8.241 -2.249 1.00 0.00 C ATOM 242 SG CYS A 16 2.451 -8.635 -2.497 1.00 0.00 S ATOM 0 H CYS A 16 -2.233 -9.101 -2.736 1.00 0.00 H new ATOM 0 HA CYS A 16 0.222 -8.444 -4.239 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.569 -7.158 -2.205 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.370 -8.633 -1.280 1.00 0.00 H new ATOM 247 N PHE A 17 0.463 -10.981 -2.735 1.00 0.00 N ATOM 248 CA PHE A 17 0.583 -12.385 -2.743 1.00 0.00 C ATOM 249 C PHE A 17 1.355 -12.463 -1.456 1.00 0.00 C ATOM 250 O PHE A 17 2.074 -11.490 -1.226 1.00 0.00 O ATOM 251 CB PHE A 17 1.509 -12.830 -3.904 1.00 0.00 C ATOM 252 CG PHE A 17 1.150 -12.126 -5.200 1.00 0.00 C ATOM 253 CD1 PHE A 17 -0.064 -12.406 -5.857 1.00 0.00 C ATOM 254 CD2 PHE A 17 1.979 -11.112 -5.724 1.00 0.00 C ATOM 255 CE1 PHE A 17 -0.402 -11.750 -7.046 1.00 0.00 C ATOM 256 CE2 PHE A 17 1.642 -10.456 -6.914 1.00 0.00 C ATOM 257 CZ PHE A 17 0.459 -10.788 -7.585 1.00 0.00 C ATOM 0 H PHE A 17 1.267 -10.539 -2.290 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.331 -12.971 -2.844 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.546 -12.615 -3.647 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.431 -13.909 -4.040 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.742 -13.135 -5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.884 -10.839 -5.201 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.328 -11.987 -7.548 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.294 -9.694 -7.314 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.211 -10.302 -8.517 1.00 0.00 H new ATOM 267 N PRO A 18 1.291 -13.453 -0.585 1.00 0.00 N ATOM 268 CA PRO A 18 2.098 -13.449 0.632 1.00 0.00 C ATOM 269 C PRO A 18 3.585 -13.678 0.394 1.00 0.00 C ATOM 270 O PRO A 18 4.095 -14.750 0.708 1.00 0.00 O ATOM 271 CB PRO A 18 1.494 -14.593 1.457 1.00 0.00 C ATOM 272 CG PRO A 18 0.012 -14.556 1.083 1.00 0.00 C ATOM 273 CD PRO A 18 0.066 -14.241 -0.413 1.00 0.00 C ATOM 0 HA PRO A 18 2.066 -12.476 1.122 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.948 -15.552 1.207 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.643 -14.439 2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -0.482 -15.507 1.282 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -0.530 -13.792 1.641 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.095 -15.153 -1.009 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -0.813 -13.681 -0.731 1.00 0.00 H new ATOM 281 N GLY A 19 4.308 -12.677 -0.137 1.00 0.00 N ATOM 282 CA GLY A 19 5.721 -12.731 -0.313 1.00 0.00 C ATOM 283 C GLY A 19 5.947 -11.331 -0.744 1.00 0.00 C ATOM 284 O GLY A 19 4.988 -10.662 -1.130 1.00 0.00 O ATOM 0 H GLY A 19 3.893 -11.801 -0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.252 -12.981 0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.025 -13.459 -1.065 1.00 0.00 H new ATOM 288 N SER A 20 7.198 -10.829 -0.689 1.00 0.00 N ATOM 289 CA SER A 20 7.468 -9.433 -0.940 1.00 0.00 C ATOM 290 C SER A 20 7.544 -9.135 -2.414 1.00 0.00 C ATOM 291 O SER A 20 7.621 -7.969 -2.802 1.00 0.00 O ATOM 292 CB SER A 20 8.811 -9.008 -0.305 1.00 0.00 C ATOM 293 OG SER A 20 8.811 -9.320 1.084 1.00 0.00 O ATOM 0 H SER A 20 8.025 -11.385 -0.471 1.00 0.00 H new ATOM 0 HA SER A 20 6.643 -8.877 -0.496 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.636 -9.519 -0.801 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.968 -7.939 -0.446 1.00 0.00 H new ATOM 0 HG SER A 20 9.666 -9.050 1.480 1.00 0.00 H new ATOM 299 N SER A 21 7.521 -10.191 -3.253 1.00 0.00 N ATOM 300 CA SER A 21 7.785 -10.216 -4.668 1.00 0.00 C ATOM 301 C SER A 21 6.979 -9.248 -5.493 1.00 0.00 C ATOM 302 O SER A 21 7.431 -8.781 -6.537 1.00 0.00 O ATOM 303 CB SER A 21 7.532 -11.650 -5.180 1.00 0.00 C ATOM 304 OG SER A 21 7.871 -12.578 -4.147 1.00 0.00 O ATOM 0 H SER A 21 7.294 -11.122 -2.905 1.00 0.00 H new ATOM 0 HA SER A 21 8.821 -9.900 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.487 -11.769 -5.465 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.130 -11.843 -6.071 1.00 0.00 H new ATOM 0 HG SER A 21 7.712 -13.492 -4.463 1.00 0.00 H new ATOM 310 N GLY A 22 5.762 -8.904 -5.027 1.00 0.00 N ATOM 311 CA GLY A 22 4.943 -7.924 -5.691 1.00 0.00 C ATOM 312 C GLY A 22 5.301 -6.560 -5.188 1.00 0.00 C ATOM 313 O GLY A 22 5.908 -5.746 -5.886 1.00 0.00 O ATOM 0 H GLY A 22 5.341 -9.304 -4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.093 -7.978 -6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.888 -8.128 -5.505 1.00 0.00 H new ATOM 317 N CYS A 23 4.888 -6.241 -3.942 1.00 0.00 N ATOM 318 CA CYS A 23 4.858 -4.856 -3.541 1.00 0.00 C ATOM 319 C CYS A 23 6.177 -4.282 -3.135 1.00 0.00 C ATOM 320 O CYS A 23 6.254 -3.065 -3.071 1.00 0.00 O ATOM 321 CB CYS A 23 3.835 -4.493 -2.451 1.00 0.00 C ATOM 322 SG CYS A 23 2.146 -4.898 -2.973 1.00 0.00 S ATOM 0 H CYS A 23 4.585 -6.910 -3.234 1.00 0.00 H new ATOM 0 HA CYS A 23 4.540 -4.401 -4.479 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.073 -5.030 -1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.903 -3.429 -2.225 1.00 0.00 H new ATOM 327 N ASP A 24 7.258 -5.072 -2.906 1.00 0.00 N ATOM 328 CA ASP A 24 8.574 -4.499 -2.640 1.00 0.00 C ATOM 329 C ASP A 24 9.013 -3.728 -3.861 1.00 0.00 C ATOM 330 O ASP A 24 9.462 -2.586 -3.785 1.00 0.00 O ATOM 331 CB ASP A 24 9.647 -5.576 -2.329 1.00 0.00 C ATOM 332 CG ASP A 24 10.985 -4.957 -1.907 1.00 0.00 C ATOM 333 OD1 ASP A 24 11.018 -4.307 -0.828 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.982 -5.124 -2.659 1.00 0.00 O ATOM 0 H ASP A 24 7.231 -6.092 -2.903 1.00 0.00 H new ATOM 0 HA ASP A 24 8.484 -3.860 -1.762 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.284 -6.229 -1.535 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.799 -6.200 -3.210 1.00 0.00 H new ATOM 339 N THR A 25 8.817 -4.354 -5.031 1.00 0.00 N ATOM 340 CA THR A 25 9.039 -3.824 -6.341 1.00 0.00 C ATOM 341 C THR A 25 8.221 -2.561 -6.558 1.00 0.00 C ATOM 342 O THR A 25 8.750 -1.515 -6.939 1.00 0.00 O ATOM 343 CB THR A 25 8.634 -4.911 -7.331 1.00 0.00 C ATOM 344 OG1 THR A 25 8.856 -6.207 -6.752 1.00 0.00 O ATOM 345 CG2 THR A 25 9.455 -4.767 -8.626 1.00 0.00 C ATOM 0 H THR A 25 8.474 -5.314 -5.064 1.00 0.00 H new ATOM 0 HA THR A 25 10.085 -3.549 -6.476 1.00 0.00 H new ATOM 0 HB THR A 25 7.575 -4.805 -7.566 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.089 -6.787 -6.944 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.163 -5.546 -9.331 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.268 -3.788 -9.068 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.516 -4.865 -8.397 1.00 0.00 H new ATOM 353 N LEU A 26 6.895 -2.640 -6.273 1.00 0.00 N ATOM 354 CA LEU A 26 5.954 -1.550 -6.467 1.00 0.00 C ATOM 355 C LEU A 26 6.272 -0.396 -5.568 1.00 0.00 C ATOM 356 O LEU A 26 6.194 0.767 -5.958 1.00 0.00 O ATOM 357 CB LEU A 26 4.491 -1.930 -6.155 1.00 0.00 C ATOM 358 CG LEU A 26 3.876 -2.941 -7.144 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.548 -3.486 -6.596 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.676 -2.317 -8.539 1.00 0.00 C ATOM 0 H LEU A 26 6.462 -3.484 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 26 6.053 -1.296 -7.522 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.442 -2.347 -5.149 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.884 -1.024 -6.154 1.00 0.00 H new ATOM 0 HG LEU A 26 4.575 -3.770 -7.253 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.127 -4.198 -7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.725 -3.985 -5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.849 -2.662 -6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.241 -3.058 -9.210 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.007 -1.460 -8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.639 -1.991 -8.933 1.00 0.00 H new ATOM 372 N CYS A 27 6.654 -0.709 -4.315 1.00 0.00 N ATOM 373 CA CYS A 27 7.022 0.254 -3.308 1.00 0.00 C ATOM 374 C CYS A 27 8.143 1.110 -3.809 1.00 0.00 C ATOM 375 O CYS A 27 8.097 2.330 -3.684 1.00 0.00 O ATOM 376 CB CYS A 27 7.476 -0.406 -1.982 1.00 0.00 C ATOM 377 SG CYS A 27 7.297 0.707 -0.573 1.00 0.00 S ATOM 0 H CYS A 27 6.710 -1.672 -3.985 1.00 0.00 H new ATOM 0 HA CYS A 27 6.130 0.847 -3.107 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.890 -1.308 -1.807 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.518 -0.715 -2.069 1.00 0.00 H new ATOM 382 N LYS A 28 9.159 0.492 -4.442 1.00 0.00 N ATOM 383 CA LYS A 28 10.336 1.214 -4.861 1.00 0.00 C ATOM 384 C LYS A 28 10.040 2.129 -6.022 1.00 0.00 C ATOM 385 O LYS A 28 10.591 3.226 -6.092 1.00 0.00 O ATOM 386 CB LYS A 28 11.512 0.267 -5.180 1.00 0.00 C ATOM 387 CG LYS A 28 12.091 -0.332 -3.887 1.00 0.00 C ATOM 388 CD LYS A 28 13.174 -1.398 -4.107 1.00 0.00 C ATOM 389 CE LYS A 28 13.968 -1.734 -2.833 1.00 0.00 C ATOM 390 NZ LYS A 28 13.079 -2.148 -1.724 1.00 0.00 N ATOM 0 H LYS A 28 9.171 -0.503 -4.666 1.00 0.00 H new ATOM 0 HA LYS A 28 10.642 1.836 -4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.173 -0.533 -5.838 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.290 0.812 -5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.510 0.474 -3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.278 -0.772 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.707 -2.307 -4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.864 -1.051 -4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.678 -2.533 -3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.550 -0.864 -2.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 13.507 -2.949 -1.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.949 -1.352 -1.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.156 -2.435 -2.108 1.00 0.00 H new ATOM 404 N GLU A 29 9.135 1.730 -6.948 1.00 0.00 N ATOM 405 CA GLU A 29 8.769 2.604 -8.051 1.00 0.00 C ATOM 406 C GLU A 29 7.785 3.679 -7.633 1.00 0.00 C ATOM 407 O GLU A 29 7.756 4.745 -8.244 1.00 0.00 O ATOM 408 CB GLU A 29 8.234 1.874 -9.310 1.00 0.00 C ATOM 409 CG GLU A 29 7.080 0.897 -9.049 1.00 0.00 C ATOM 410 CD GLU A 29 6.612 0.256 -10.354 1.00 0.00 C ATOM 411 OE1 GLU A 29 7.457 -0.376 -11.043 1.00 0.00 O ATOM 412 OE2 GLU A 29 5.399 0.380 -10.672 1.00 0.00 O ATOM 0 H GLU A 29 8.663 0.826 -6.942 1.00 0.00 H new ATOM 0 HA GLU A 29 9.715 3.066 -8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.902 2.621 -10.032 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.056 1.327 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.402 0.123 -8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.250 1.424 -8.578 1.00 0.00 H new ATOM 419 N LYS A 30 6.959 3.440 -6.583 1.00 0.00 N ATOM 420 CA LYS A 30 6.037 4.438 -6.062 1.00 0.00 C ATOM 421 C LYS A 30 6.772 5.391 -5.162 1.00 0.00 C ATOM 422 O LYS A 30 6.379 6.549 -5.014 1.00 0.00 O ATOM 423 CB LYS A 30 4.850 3.828 -5.278 1.00 0.00 C ATOM 424 CG LYS A 30 3.897 3.023 -6.182 1.00 0.00 C ATOM 425 CD LYS A 30 3.044 3.876 -7.138 1.00 0.00 C ATOM 426 CE LYS A 30 2.469 3.081 -8.321 1.00 0.00 C ATOM 427 NZ LYS A 30 3.551 2.597 -9.213 1.00 0.00 N ATOM 0 H LYS A 30 6.926 2.549 -6.087 1.00 0.00 H new ATOM 0 HA LYS A 30 5.624 4.955 -6.928 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.234 3.179 -4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.293 4.627 -4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.485 2.319 -6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.232 2.433 -5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.223 4.324 -6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.652 4.695 -7.522 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.894 2.233 -7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.781 3.710 -8.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.152 2.355 -10.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.267 3.343 -9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.993 1.753 -8.796 1.00 0.00 H new ATOM 441 N GLY A 31 7.882 4.920 -4.565 1.00 0.00 N ATOM 442 CA GLY A 31 8.864 5.777 -3.958 1.00 0.00 C ATOM 443 C GLY A 31 8.808 5.626 -2.481 1.00 0.00 C ATOM 444 O GLY A 31 8.983 6.603 -1.760 1.00 0.00 O ATOM 0 H GLY A 31 8.105 3.927 -4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.859 5.523 -4.323 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.678 6.815 -4.236 1.00 0.00 H new ATOM 448 N GLY A 32 8.578 4.390 -1.994 1.00 0.00 N ATOM 449 CA GLY A 32 8.737 4.046 -0.611 1.00 0.00 C ATOM 450 C GLY A 32 9.959 3.203 -0.609 1.00 0.00 C ATOM 451 O GLY A 32 10.207 2.455 -1.555 1.00 0.00 O ATOM 0 H GLY A 32 8.274 3.610 -2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.858 4.932 0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 32 7.873 3.503 -0.229 1.00 0.00 H new ATOM 455 N THR A 33 10.786 3.319 0.446 1.00 0.00 N ATOM 456 CA THR A 33 12.111 2.762 0.452 1.00 0.00 C ATOM 457 C THR A 33 12.052 1.266 0.592 1.00 0.00 C ATOM 458 O THR A 33 12.930 0.543 0.118 1.00 0.00 O ATOM 459 CB THR A 33 12.956 3.353 1.570 1.00 0.00 C ATOM 460 OG1 THR A 33 12.662 4.740 1.698 1.00 0.00 O ATOM 461 CG2 THR A 33 14.454 3.177 1.243 1.00 0.00 C ATOM 0 H THR A 33 10.536 3.805 1.307 1.00 0.00 H new ATOM 0 HA THR A 33 12.579 3.015 -0.499 1.00 0.00 H new ATOM 0 HB THR A 33 12.729 2.839 2.504 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.204 5.124 2.419 1.00 0.00 H new ATOM 0 HG21 THR A 33 15.054 3.602 2.047 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.682 2.116 1.142 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.685 3.688 0.309 1.00 0.00 H new ATOM 469 N SER A 34 11.021 0.724 1.269 1.00 0.00 N ATOM 470 CA SER A 34 10.918 -0.698 1.412 1.00 0.00 C ATOM 471 C SER A 34 9.485 -0.891 1.731 1.00 0.00 C ATOM 472 O SER A 34 8.815 0.065 2.129 1.00 0.00 O ATOM 473 CB SER A 34 11.791 -1.274 2.548 1.00 0.00 C ATOM 474 OG SER A 34 13.162 -1.014 2.269 1.00 0.00 O ATOM 0 H SER A 34 10.272 1.258 1.710 1.00 0.00 H new ATOM 0 HA SER A 34 11.266 -1.213 0.516 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.511 -0.824 3.501 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.625 -2.347 2.641 1.00 0.00 H new ATOM 0 HG SER A 34 13.261 -0.755 1.329 1.00 0.00 H new ATOM 480 N GLY A 35 8.994 -2.131 1.550 1.00 0.00 N ATOM 481 CA GLY A 35 7.620 -2.468 1.665 1.00 0.00 C ATOM 482 C GLY A 35 7.711 -3.942 1.585 1.00 0.00 C ATOM 483 O GLY A 35 8.811 -4.464 1.393 1.00 0.00 O ATOM 0 H GLY A 35 9.585 -2.928 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.184 -2.128 2.604 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.018 -2.043 0.862 1.00 0.00 H new ATOM 487 N HIS A 36 6.573 -4.633 1.760 1.00 0.00 N ATOM 488 CA HIS A 36 6.497 -6.060 1.828 1.00 0.00 C ATOM 489 C HIS A 36 5.016 -6.198 1.758 1.00 0.00 C ATOM 490 O HIS A 36 4.345 -5.189 1.518 1.00 0.00 O ATOM 491 CB HIS A 36 7.064 -6.712 3.120 1.00 0.00 C ATOM 492 CG HIS A 36 6.466 -6.212 4.411 1.00 0.00 C ATOM 493 ND1 HIS A 36 6.830 -5.032 5.001 1.00 0.00 N ATOM 494 CD2 HIS A 36 5.518 -6.774 5.197 1.00 0.00 C ATOM 495 CE1 HIS A 36 6.128 -4.889 6.117 1.00 0.00 C ATOM 496 NE2 HIS A 36 5.320 -5.930 6.256 1.00 0.00 N ATOM 0 H HIS A 36 5.665 -4.179 1.859 1.00 0.00 H new ATOM 0 HA HIS A 36 7.093 -6.562 1.066 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.910 -7.789 3.061 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.141 -6.545 3.149 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.013 -7.712 5.021 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.203 -4.058 6.802 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.662 -6.077 7.022 1.00 0.00 H new ATOM 505 N CYS A 37 4.456 -7.408 1.960 1.00 0.00 N ATOM 506 CA CYS A 37 3.052 -7.649 1.780 1.00 0.00 C ATOM 507 C CYS A 37 2.618 -8.279 3.054 1.00 0.00 C ATOM 508 O CYS A 37 3.441 -8.874 3.746 1.00 0.00 O ATOM 509 CB CYS A 37 2.764 -8.553 0.559 1.00 0.00 C ATOM 510 SG CYS A 37 3.362 -7.716 -0.948 1.00 0.00 S ATOM 0 H CYS A 37 4.984 -8.231 2.252 1.00 0.00 H new ATOM 0 HA CYS A 37 2.506 -6.730 1.569 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.260 -9.516 0.678 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.695 -8.752 0.481 1.00 0.00 H new ATOM 515 N GLY A 38 1.336 -8.130 3.429 1.00 0.00 N ATOM 516 CA GLY A 38 0.895 -8.588 4.703 1.00 0.00 C ATOM 517 C GLY A 38 -0.561 -8.387 4.558 1.00 0.00 C ATOM 518 O GLY A 38 -0.995 -7.736 3.604 1.00 0.00 O ATOM 0 H GLY A 38 0.613 -7.696 2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.156 -9.631 4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.316 -8.007 5.523 1.00 0.00 H new ATOM 522 N PHE A 39 -1.343 -8.963 5.486 1.00 0.00 N ATOM 523 CA PHE A 39 -2.773 -8.991 5.416 1.00 0.00 C ATOM 524 C PHE A 39 -3.220 -7.871 6.304 1.00 0.00 C ATOM 525 O PHE A 39 -2.463 -7.408 7.159 1.00 0.00 O ATOM 526 CB PHE A 39 -3.312 -10.356 5.940 1.00 0.00 C ATOM 527 CG PHE A 39 -4.732 -10.645 5.527 1.00 0.00 C ATOM 528 CD1 PHE A 39 -5.059 -10.763 4.167 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.743 -10.839 6.483 1.00 0.00 C ATOM 530 CE1 PHE A 39 -6.369 -11.048 3.764 1.00 0.00 C ATOM 531 CE2 PHE A 39 -7.056 -11.121 6.082 1.00 0.00 C ATOM 532 CZ PHE A 39 -7.372 -11.223 4.723 1.00 0.00 C ATOM 0 H PHE A 39 -0.969 -9.426 6.314 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.142 -8.878 4.397 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.667 -11.155 5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.250 -10.368 7.028 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.289 -10.632 3.421 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -5.507 -10.770 7.535 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.605 -11.133 2.713 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.827 -11.260 6.825 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.385 -11.436 4.416 1.00 0.00 H new ATOM 542 N LYS A 40 -4.472 -7.425 6.125 1.00 0.00 N ATOM 543 CA LYS A 40 -5.188 -6.622 7.064 1.00 0.00 C ATOM 544 C LYS A 40 -6.541 -7.145 6.717 1.00 0.00 C ATOM 545 O LYS A 40 -6.655 -7.912 5.758 1.00 0.00 O ATOM 546 CB LYS A 40 -5.135 -5.085 6.863 1.00 0.00 C ATOM 547 CG LYS A 40 -5.427 -4.610 5.427 1.00 0.00 C ATOM 548 CD LYS A 40 -5.542 -3.082 5.265 1.00 0.00 C ATOM 549 CE LYS A 40 -6.953 -2.503 5.487 1.00 0.00 C ATOM 550 NZ LYS A 40 -7.375 -2.538 6.907 1.00 0.00 N ATOM 0 H LYS A 40 -5.012 -7.634 5.285 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.816 -6.700 8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.854 -4.620 7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.147 -4.729 7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.636 -4.973 4.771 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.356 -5.068 5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.857 -2.606 5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.210 -2.813 4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.977 -1.473 5.132 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.669 -3.064 4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.939 -1.691 7.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.948 -3.389 7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.534 -2.558 7.519 1.00 0.00 H new ATOM 564 N VAL A 41 -7.587 -6.762 7.465 1.00 0.00 N ATOM 565 CA VAL A 41 -8.928 -7.170 7.192 1.00 0.00 C ATOM 566 C VAL A 41 -9.568 -5.829 7.300 1.00 0.00 C ATOM 567 O VAL A 41 -8.997 -4.937 7.929 1.00 0.00 O ATOM 568 CB VAL A 41 -9.534 -8.158 8.190 1.00 0.00 C ATOM 569 CG1 VAL A 41 -10.516 -9.074 7.427 1.00 0.00 C ATOM 570 CG2 VAL A 41 -8.416 -8.970 8.882 1.00 0.00 C ATOM 0 H VAL A 41 -7.500 -6.154 8.279 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.043 -7.720 6.258 1.00 0.00 H new ATOM 0 HB VAL A 41 -10.076 -7.628 8.973 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.961 -9.788 8.120 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.302 -8.469 6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.979 -9.613 6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -8.860 -9.670 9.590 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.850 -9.523 8.132 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.749 -8.291 9.413 1.00 0.00 H new ATOM 580 N GLY A 42 -10.725 -5.647 6.647 1.00 0.00 N ATOM 581 CA GLY A 42 -11.357 -4.366 6.485 1.00 0.00 C ATOM 582 C GLY A 42 -11.630 -4.352 5.025 1.00 0.00 C ATOM 583 O GLY A 42 -12.763 -4.173 4.588 1.00 0.00 O ATOM 0 H GLY A 42 -11.243 -6.412 6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.270 -4.282 7.074 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.706 -3.546 6.788 1.00 0.00 H new ATOM 587 N HIS A 43 -10.567 -4.621 4.238 1.00 0.00 N ATOM 588 CA HIS A 43 -10.680 -4.883 2.830 1.00 0.00 C ATOM 589 C HIS A 43 -10.181 -6.290 2.673 1.00 0.00 C ATOM 590 O HIS A 43 -10.973 -7.209 2.487 1.00 0.00 O ATOM 591 CB HIS A 43 -9.871 -3.912 1.949 1.00 0.00 C ATOM 592 CG HIS A 43 -10.404 -2.502 1.960 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.699 -1.451 1.435 1.00 0.00 N ATOM 594 CD2 HIS A 43 -11.585 -2.004 2.397 1.00 0.00 C ATOM 595 CE1 HIS A 43 -10.421 -0.350 1.564 1.00 0.00 C ATOM 596 NE2 HIS A 43 -11.574 -0.660 2.138 1.00 0.00 N ATOM 0 H HIS A 43 -9.609 -4.657 4.586 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.709 -4.746 2.496 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.835 -3.903 2.289 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -9.867 -4.282 0.924 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -12.384 -2.562 2.862 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -10.120 0.639 1.252 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -12.328 -0.006 2.351 1.00 0.00 H new ATOM 605 N GLY A 44 -8.862 -6.539 2.768 1.00 0.00 N ATOM 606 CA GLY A 44 -8.391 -7.878 2.648 1.00 0.00 C ATOM 607 C GLY A 44 -6.955 -7.648 2.421 1.00 0.00 C ATOM 608 O GLY A 44 -6.410 -6.673 2.945 1.00 0.00 O ATOM 0 H GLY A 44 -8.142 -5.833 2.923 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.578 -8.464 3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.860 -8.408 1.819 1.00 0.00 H new ATOM 612 N LEU A 45 -6.332 -8.524 1.596 1.00 0.00 N ATOM 613 CA LEU A 45 -4.913 -8.560 1.336 1.00 0.00 C ATOM 614 C LEU A 45 -4.545 -7.265 0.684 1.00 0.00 C ATOM 615 O LEU A 45 -5.299 -6.748 -0.134 1.00 0.00 O ATOM 616 CB LEU A 45 -4.524 -9.770 0.446 1.00 0.00 C ATOM 617 CG LEU A 45 -3.010 -10.033 0.233 1.00 0.00 C ATOM 618 CD1 LEU A 45 -2.214 -10.254 1.532 1.00 0.00 C ATOM 619 CD2 LEU A 45 -2.816 -11.249 -0.689 1.00 0.00 C ATOM 0 H LEU A 45 -6.843 -9.243 1.085 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.365 -8.685 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.965 -10.666 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.984 -9.632 -0.532 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.615 -9.124 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.166 -10.431 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.297 -9.370 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.615 -11.118 2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.751 -11.429 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.273 -12.127 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.286 -11.054 -1.653 1.00 0.00 H new ATOM 631 N ALA A 46 -3.412 -6.691 1.103 1.00 0.00 N ATOM 632 CA ALA A 46 -3.082 -5.317 0.924 1.00 0.00 C ATOM 633 C ALA A 46 -1.611 -5.471 0.906 1.00 0.00 C ATOM 634 O ALA A 46 -1.147 -6.615 0.908 1.00 0.00 O ATOM 635 CB ALA A 46 -3.486 -4.491 2.158 1.00 0.00 C ATOM 0 H ALA A 46 -2.686 -7.213 1.594 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.548 -4.822 0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.224 -3.445 1.998 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.561 -4.575 2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.959 -4.866 3.035 1.00 0.00 H new ATOM 641 N CYS A 47 -0.808 -4.386 0.932 1.00 0.00 N ATOM 642 CA CYS A 47 0.593 -4.649 1.150 1.00 0.00 C ATOM 643 C CYS A 47 1.078 -3.479 1.911 1.00 0.00 C ATOM 644 O CYS A 47 0.235 -2.688 2.314 1.00 0.00 O ATOM 645 CB CYS A 47 1.381 -4.985 -0.130 1.00 0.00 C ATOM 646 SG CYS A 47 1.050 -3.956 -1.571 1.00 0.00 S ATOM 0 H CYS A 47 -1.088 -3.412 0.815 1.00 0.00 H new ATOM 0 HA CYS A 47 0.753 -5.566 1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.445 -4.921 0.098 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.174 -6.022 -0.396 1.00 0.00 H new ATOM 651 N TRP A 48 2.397 -3.349 2.182 1.00 0.00 N ATOM 652 CA TRP A 48 2.919 -2.395 3.134 1.00 0.00 C ATOM 653 C TRP A 48 3.989 -1.610 2.425 1.00 0.00 C ATOM 654 O TRP A 48 4.564 -2.100 1.455 1.00 0.00 O ATOM 655 CB TRP A 48 3.494 -3.121 4.392 1.00 0.00 C ATOM 656 CG TRP A 48 4.169 -2.251 5.442 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.481 -1.874 5.484 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.518 -1.568 6.527 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.685 -0.965 6.486 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.487 -0.734 7.129 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.206 -1.596 6.991 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.149 0.123 8.172 1.00 0.00 C ATOM 663 CZ3 TRP A 48 1.874 -0.761 8.068 1.00 0.00 C ATOM 664 CH2 TRP A 48 2.826 0.099 8.637 1.00 0.00 C ATOM 0 H TRP A 48 3.117 -3.915 1.733 1.00 0.00 H new ATOM 0 HA TRP A 48 2.130 -1.733 3.491 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.679 -3.662 4.873 1.00 0.00 H new ATOM 0 HB3 TRP A 48 4.215 -3.865 4.054 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.249 -2.242 4.820 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.577 -0.529 6.719 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.468 -2.240 6.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.882 0.785 8.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.870 -0.780 8.466 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.535 0.753 9.446 1.00 0.00 H new ATOM 675 N CYS A 49 4.288 -0.380 2.921 1.00 0.00 N ATOM 676 CA CYS A 49 5.434 0.391 2.511 1.00 0.00 C ATOM 677 C CYS A 49 5.819 1.218 3.693 1.00 0.00 C ATOM 678 O CYS A 49 4.966 1.585 4.500 1.00 0.00 O ATOM 679 CB CYS A 49 5.166 1.397 1.377 1.00 0.00 C ATOM 680 SG CYS A 49 5.299 0.667 -0.266 1.00 0.00 S ATOM 0 H CYS A 49 3.716 0.087 3.625 1.00 0.00 H new ATOM 0 HA CYS A 49 6.183 -0.316 2.154 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.168 1.817 1.501 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.872 2.223 1.459 1.00 0.00 H new ATOM 685 N ASN A 50 7.119 1.564 3.783 1.00 0.00 N ATOM 686 CA ASN A 50 7.621 2.550 4.705 1.00 0.00 C ATOM 687 C ASN A 50 8.221 3.609 3.831 1.00 0.00 C ATOM 688 O ASN A 50 8.893 3.286 2.852 1.00 0.00 O ATOM 689 CB ASN A 50 8.773 2.053 5.626 1.00 0.00 C ATOM 690 CG ASN A 50 8.224 1.398 6.897 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.032 0.177 6.952 1.00 0.00 O ATOM 692 ND2 ASN A 50 7.966 2.224 7.953 1.00 0.00 N ATOM 0 H ASN A 50 7.845 1.148 3.199 1.00 0.00 H new ATOM 0 HA ASN A 50 6.803 2.857 5.357 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.392 1.338 5.084 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.415 2.892 5.894 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.602 1.839 8.825 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.137 3.226 7.870 1.00 0.00 H new ATOM 699 N ALA A 51 8.013 4.890 4.218 1.00 0.00 N ATOM 700 CA ALA A 51 8.687 6.072 3.738 1.00 0.00 C ATOM 701 C ALA A 51 8.170 6.488 2.397 1.00 0.00 C ATOM 702 O ALA A 51 8.939 6.801 1.492 1.00 0.00 O ATOM 703 CB ALA A 51 10.227 5.986 3.731 1.00 0.00 C ATOM 0 H ALA A 51 7.315 5.117 4.926 1.00 0.00 H new ATOM 0 HA ALA A 51 8.447 6.842 4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.642 6.921 3.354 1.00 0.00 H new ATOM 0 HB2 ALA A 51 10.586 5.812 4.745 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.543 5.164 3.088 1.00 0.00 H new ATOM 709 N LEU A 52 6.830 6.542 2.252 1.00 0.00 N ATOM 710 CA LEU A 52 6.208 6.955 1.013 1.00 0.00 C ATOM 711 C LEU A 52 6.004 8.439 1.131 1.00 0.00 C ATOM 712 O LEU A 52 5.593 8.873 2.205 1.00 0.00 O ATOM 713 CB LEU A 52 4.806 6.346 0.754 1.00 0.00 C ATOM 714 CG LEU A 52 4.822 4.875 0.286 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.423 4.261 0.435 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.303 4.699 -1.167 1.00 0.00 C ATOM 0 H LEU A 52 6.170 6.300 2.991 1.00 0.00 H new ATOM 0 HA LEU A 52 6.855 6.627 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.219 6.416 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.296 6.948 0.002 1.00 0.00 H new ATOM 0 HG LEU A 52 5.539 4.359 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.444 3.223 0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.118 4.301 1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.713 4.822 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.289 3.641 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.642 5.248 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.318 5.083 -1.263 1.00 0.00 H new ATOM 728 N PRO A 53 6.261 9.265 0.131 1.00 0.00 N ATOM 729 CA PRO A 53 6.086 10.697 0.247 1.00 0.00 C ATOM 730 C PRO A 53 4.638 11.086 0.134 1.00 0.00 C ATOM 731 O PRO A 53 3.771 10.257 -0.130 1.00 0.00 O ATOM 732 CB PRO A 53 6.927 11.277 -0.905 1.00 0.00 C ATOM 733 CG PRO A 53 6.997 10.152 -1.946 1.00 0.00 C ATOM 734 CD PRO A 53 6.963 8.889 -1.093 1.00 0.00 C ATOM 0 HA PRO A 53 6.404 11.077 1.218 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.464 12.172 -1.321 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.922 11.562 -0.563 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.158 10.192 -2.640 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.907 10.211 -2.543 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.446 8.080 -1.609 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.971 8.535 -0.875 1.00 0.00 H new ATOM 742 N ASP A 54 4.377 12.382 0.341 1.00 0.00 N ATOM 743 CA ASP A 54 3.061 12.957 0.458 1.00 0.00 C ATOM 744 C ASP A 54 2.275 12.966 -0.826 1.00 0.00 C ATOM 745 O ASP A 54 1.089 13.286 -0.818 1.00 0.00 O ATOM 746 CB ASP A 54 3.180 14.425 0.907 1.00 0.00 C ATOM 747 CG ASP A 54 3.816 14.482 2.297 1.00 0.00 C ATOM 748 OD1 ASP A 54 3.158 14.025 3.269 1.00 0.00 O ATOM 749 OD2 ASP A 54 4.975 14.965 2.400 1.00 0.00 O ATOM 0 H ASP A 54 5.119 13.076 0.433 1.00 0.00 H new ATOM 0 HA ASP A 54 2.536 12.329 1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.785 14.987 0.195 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.195 14.892 0.926 1.00 0.00 H new ATOM 754 N ASN A 55 2.910 12.628 -1.968 1.00 0.00 N ATOM 755 CA ASN A 55 2.257 12.615 -3.259 1.00 0.00 C ATOM 756 C ASN A 55 1.720 11.244 -3.549 1.00 0.00 C ATOM 757 O ASN A 55 1.138 11.029 -4.610 1.00 0.00 O ATOM 758 CB ASN A 55 3.185 13.035 -4.437 1.00 0.00 C ATOM 759 CG ASN A 55 4.441 12.152 -4.510 1.00 0.00 C ATOM 760 OD1 ASN A 55 5.292 12.264 -3.621 1.00 0.00 O ATOM 761 ND2 ASN A 55 4.539 11.271 -5.547 1.00 0.00 N ATOM 0 H ASN A 55 3.893 12.358 -2.002 1.00 0.00 H new ATOM 0 HA ASN A 55 1.457 13.352 -3.192 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.636 12.966 -5.376 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.479 14.078 -4.316 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.350 10.656 -5.619 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.801 11.227 -6.250 1.00 0.00 H new ATOM 768 N VAL A 56 1.913 10.279 -2.625 1.00 0.00 N ATOM 769 CA VAL A 56 1.343 8.961 -2.752 1.00 0.00 C ATOM 770 C VAL A 56 0.124 9.046 -1.867 1.00 0.00 C ATOM 771 O VAL A 56 -0.140 10.083 -1.261 1.00 0.00 O ATOM 772 CB VAL A 56 2.309 7.829 -2.374 1.00 0.00 C ATOM 773 CG1 VAL A 56 1.942 6.534 -3.137 1.00 0.00 C ATOM 774 CG2 VAL A 56 3.747 8.277 -2.725 1.00 0.00 C ATOM 0 H VAL A 56 2.469 10.411 -1.780 1.00 0.00 H new ATOM 0 HA VAL A 56 1.101 8.700 -3.782 1.00 0.00 H new ATOM 0 HB VAL A 56 2.239 7.619 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.635 5.740 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.926 6.236 -2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.006 6.713 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.449 7.485 -2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.813 8.483 -3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.994 9.180 -2.166 1.00 0.00 H new ATOM 784 N GLY A 57 -0.665 7.969 -1.768 1.00 0.00 N ATOM 785 CA GLY A 57 -1.858 7.933 -0.991 1.00 0.00 C ATOM 786 C GLY A 57 -1.849 6.483 -0.702 1.00 0.00 C ATOM 787 O GLY A 57 -1.150 5.739 -1.396 1.00 0.00 O ATOM 0 H GLY A 57 -0.466 7.090 -2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.804 8.549 -0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.740 8.254 -1.545 1.00 0.00 H new ATOM 791 N ILE A 58 -2.562 6.054 0.350 1.00 0.00 N ATOM 792 CA ILE A 58 -2.398 4.742 0.904 1.00 0.00 C ATOM 793 C ILE A 58 -3.776 4.393 1.377 1.00 0.00 C ATOM 794 O ILE A 58 -4.750 4.949 0.868 1.00 0.00 O ATOM 795 CB ILE A 58 -1.364 4.697 2.031 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.583 5.797 3.094 1.00 0.00 C ATOM 797 CG2 ILE A 58 0.051 4.778 1.414 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.721 5.586 4.341 1.00 0.00 C ATOM 0 H ILE A 58 -3.263 6.622 0.826 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.007 4.030 0.178 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.480 3.753 2.564 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.354 6.770 2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.634 5.816 3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.797 4.747 2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.203 3.935 0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.153 5.710 0.858 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.913 6.386 5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.967 4.626 4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.332 5.595 4.061 1.00 0.00 H new ATOM 810 N ILE A 59 -3.910 3.464 2.361 1.00 0.00 N ATOM 811 CA ILE A 59 -5.197 3.131 2.922 1.00 0.00 C ATOM 812 C ILE A 59 -5.563 4.310 3.768 1.00 0.00 C ATOM 813 O ILE A 59 -4.765 4.758 4.588 1.00 0.00 O ATOM 814 CB ILE A 59 -5.302 1.910 3.844 1.00 0.00 C ATOM 815 CG1 ILE A 59 -4.244 0.808 3.651 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.741 1.361 3.736 1.00 0.00 C ATOM 817 CD1 ILE A 59 -4.180 0.131 2.289 1.00 0.00 C ATOM 0 H ILE A 59 -3.129 2.947 2.765 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.831 2.887 2.070 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.079 2.258 4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.265 1.240 3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.418 0.038 4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.847 0.490 4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.448 2.131 4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.945 1.075 2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.392 -0.622 2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.137 -0.346 2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.965 0.875 1.522 1.00 0.00 H new ATOM 829 N VAL A 60 -6.774 4.834 3.589 1.00 0.00 N ATOM 830 CA VAL A 60 -7.306 5.861 4.423 1.00 0.00 C ATOM 831 C VAL A 60 -8.317 5.081 5.215 1.00 0.00 C ATOM 832 O VAL A 60 -9.316 4.603 4.665 1.00 0.00 O ATOM 833 CB VAL A 60 -7.844 7.004 3.578 1.00 0.00 C ATOM 834 CG1 VAL A 60 -8.893 7.836 4.327 1.00 0.00 C ATOM 835 CG2 VAL A 60 -6.642 7.835 3.074 1.00 0.00 C ATOM 0 H VAL A 60 -7.407 4.540 2.845 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.608 6.381 5.079 1.00 0.00 H new ATOM 0 HB VAL A 60 -8.382 6.610 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.247 8.640 3.682 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.732 7.198 4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.446 8.261 5.226 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.002 8.663 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.088 8.227 3.927 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.987 7.202 2.476 1.00 0.00 H new ATOM 845 N GLU A 61 -8.011 4.870 6.522 1.00 0.00 N ATOM 846 CA GLU A 61 -8.741 4.010 7.423 1.00 0.00 C ATOM 847 C GLU A 61 -8.620 2.591 6.912 1.00 0.00 C ATOM 848 O GLU A 61 -7.543 2.000 6.932 1.00 0.00 O ATOM 849 CB GLU A 61 -10.184 4.531 7.705 1.00 0.00 C ATOM 850 CG GLU A 61 -11.041 3.699 8.679 1.00 0.00 C ATOM 851 CD GLU A 61 -12.212 4.539 9.186 1.00 0.00 C ATOM 852 OE1 GLU A 61 -13.015 5.005 8.335 1.00 0.00 O ATOM 853 OE2 GLU A 61 -12.313 4.728 10.427 1.00 0.00 O ATOM 0 H GLU A 61 -7.215 5.323 6.971 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.307 4.020 8.423 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.109 5.545 8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.714 4.596 6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.413 2.805 8.178 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.432 3.364 9.518 1.00 0.00 H new ATOM 860 N GLY A 62 -9.723 2.023 6.413 1.00 0.00 N ATOM 861 CA GLY A 62 -9.760 0.749 5.763 1.00 0.00 C ATOM 862 C GLY A 62 -11.132 0.770 5.209 1.00 0.00 C ATOM 863 O GLY A 62 -11.853 -0.220 5.259 1.00 0.00 O ATOM 0 H GLY A 62 -10.638 2.471 6.463 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.001 0.657 4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -9.606 -0.076 6.458 1.00 0.00 H new ATOM 867 N GLU A 63 -11.539 1.964 4.722 1.00 0.00 N ATOM 868 CA GLU A 63 -12.925 2.254 4.483 1.00 0.00 C ATOM 869 C GLU A 63 -13.198 2.115 3.020 1.00 0.00 C ATOM 870 O GLU A 63 -13.889 1.198 2.590 1.00 0.00 O ATOM 871 CB GLU A 63 -13.306 3.675 4.971 1.00 0.00 C ATOM 872 CG GLU A 63 -14.790 4.031 4.769 1.00 0.00 C ATOM 873 CD GLU A 63 -15.038 5.472 5.212 1.00 0.00 C ATOM 874 OE1 GLU A 63 -14.370 6.382 4.650 1.00 0.00 O ATOM 875 OE2 GLU A 63 -15.895 5.682 6.110 1.00 0.00 O ATOM 0 H GLU A 63 -10.905 2.730 4.494 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.534 1.548 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.064 3.761 6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.693 4.406 4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.064 3.910 3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.419 3.350 5.343 1.00 0.00 H new ATOM 882 N LYS A 64 -12.690 3.058 2.212 1.00 0.00 N ATOM 883 CA LYS A 64 -13.177 3.253 0.866 1.00 0.00 C ATOM 884 C LYS A 64 -12.153 2.693 -0.080 1.00 0.00 C ATOM 885 O LYS A 64 -11.036 2.361 0.314 1.00 0.00 O ATOM 886 CB LYS A 64 -13.435 4.758 0.569 1.00 0.00 C ATOM 887 CG LYS A 64 -14.591 5.077 -0.405 1.00 0.00 C ATOM 888 CD LYS A 64 -15.998 4.659 0.068 1.00 0.00 C ATOM 889 CE LYS A 64 -16.487 5.416 1.314 1.00 0.00 C ATOM 890 NZ LYS A 64 -17.878 5.039 1.667 1.00 0.00 N ATOM 0 H LYS A 64 -11.939 3.693 2.483 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.130 2.739 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -13.635 5.263 1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.519 5.189 0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.596 6.150 -0.595 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.386 4.585 -1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.707 4.820 -0.744 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.996 3.590 0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.826 5.202 2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.434 6.490 1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.177 5.567 2.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.511 5.266 0.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.922 4.019 1.863 1.00 0.00 H new ATOM 904 N CYS A 65 -12.510 2.583 -1.369 1.00 0.00 N ATOM 905 CA CYS A 65 -11.614 2.252 -2.422 1.00 0.00 C ATOM 906 C CYS A 65 -12.271 3.118 -3.428 1.00 0.00 C ATOM 907 O CYS A 65 -13.502 3.187 -3.419 1.00 0.00 O ATOM 908 CB CYS A 65 -11.650 0.750 -2.818 1.00 0.00 C ATOM 909 SG CYS A 65 -10.659 0.256 -4.275 1.00 0.00 S ATOM 0 H CYS A 65 -13.467 2.732 -1.689 1.00 0.00 H new ATOM 0 HA CYS A 65 -10.550 2.397 -2.234 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -11.311 0.165 -1.963 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.688 0.472 -3.003 1.00 0.00 H new ATOM 914 N HIS A 66 -11.497 3.848 -4.246 1.00 0.00 N ATOM 915 CA HIS A 66 -12.071 4.692 -5.248 1.00 0.00 C ATOM 916 C HIS A 66 -10.874 4.972 -6.081 1.00 0.00 C ATOM 917 O HIS A 66 -9.767 4.576 -5.712 1.00 0.00 O ATOM 918 CB HIS A 66 -12.713 6.006 -4.713 1.00 0.00 C ATOM 919 CG HIS A 66 -11.918 6.720 -3.646 1.00 0.00 C ATOM 920 ND1 HIS A 66 -10.659 7.206 -3.857 1.00 0.00 N ATOM 921 CD2 HIS A 66 -12.235 6.991 -2.358 1.00 0.00 C ATOM 922 CE1 HIS A 66 -10.219 7.745 -2.729 1.00 0.00 C ATOM 923 NE2 HIS A 66 -11.158 7.632 -1.803 1.00 0.00 N ATOM 0 H HIS A 66 -10.477 3.856 -4.216 1.00 0.00 H new ATOM 0 HA HIS A 66 -12.912 4.224 -5.759 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -12.861 6.687 -5.551 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -13.700 5.773 -4.314 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -13.162 6.748 -1.861 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -9.251 8.202 -2.588 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.092 7.965 -0.841 1.00 0.00 H new ATOM 932 N SER A 67 -11.052 5.639 -7.229 1.00 0.00 N ATOM 933 CA SER A 67 -10.001 6.013 -8.109 1.00 0.00 C ATOM 934 C SER A 67 -10.834 6.968 -8.968 1.00 0.00 C ATOM 935 O SER A 67 -12.053 7.020 -8.734 1.00 0.00 O ATOM 936 CB SER A 67 -9.462 4.831 -8.942 1.00 0.00 C ATOM 937 OG SER A 67 -8.715 3.953 -8.109 1.00 0.00 O ATOM 0 H SER A 67 -11.973 5.930 -7.558 1.00 0.00 H new ATOM 0 HA SER A 67 -9.097 6.405 -7.643 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.290 4.292 -9.403 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.833 5.202 -9.751 1.00 0.00 H new ATOM 0 HG SER A 67 -8.786 4.247 -7.177 1.00 0.00 H new HETATM 943 N NH2 A 68 -10.210 7.704 -9.923 1.00 0.00 N TER 946 NH2 A 68