USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 519 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 NoAdj-H: A 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 3 SER OG : rot 180:sc=-0.00657 USER MOD Set 1.2: A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= 0.651 (180deg=0.44) USER MOD Single : A 25 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-3.3!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 100:sc= 0.81 USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= -0.593 (180deg=-0.689) USER MOD Single : A 36 HIS : no HD1:sc= -0.189 K(o=-0.19,f=-1) USER MOD Single : A 39 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.1) USER MOD Single : A 40 MET CE :methyl -165:sc= 0 (180deg=-0.153) USER MOD Single : A 41 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.1) USER MOD Single : A 48 ASN : amide:sc= -0.0447 X(o=-0.045,f=-0.025) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.734 USER MOD Single : A 54 TYR OH : rot 30:sc= -0.128 USER MOD Single : A 57 ASN : amide:sc= -0.0761 K(o=-0.076,f=-1.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -40.949 29.861 15.640 1.00 0.00 N ATOM 2 CA GLY A 1 -40.255 28.889 14.815 1.00 0.00 C ATOM 3 C GLY A 1 -39.221 28.100 15.594 1.00 0.00 C ATOM 4 O GLY A 1 -38.274 28.670 16.135 1.00 0.00 O ATOM 0 H1 GLY A 1 -41.645 30.374 15.061 1.00 0.00 H new ATOM 0 H2 GLY A 1 -41.438 29.371 16.416 1.00 0.00 H new ATOM 0 H3 GLY A 1 -40.262 30.535 16.034 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -40.981 28.201 14.381 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.767 29.403 13.986 1.00 0.00 H new ATOM 8 N SER A 2 -39.404 26.785 15.652 1.00 0.00 N ATOM 9 CA SER A 2 -38.483 25.916 16.375 1.00 0.00 C ATOM 10 C SER A 2 -38.623 24.469 15.912 1.00 0.00 C ATOM 11 O SER A 2 -39.108 23.613 16.652 1.00 0.00 O ATOM 12 CB SER A 2 -38.737 26.009 17.881 1.00 0.00 C ATOM 13 OG SER A 2 -37.746 25.305 18.610 1.00 0.00 O ATOM 0 H SER A 2 -40.182 26.298 15.207 1.00 0.00 H new ATOM 0 HA SER A 2 -37.467 26.249 16.164 1.00 0.00 H new ATOM 0 HB2 SER A 2 -38.744 27.055 18.188 1.00 0.00 H new ATOM 0 HB3 SER A 2 -39.721 25.602 18.113 1.00 0.00 H new ATOM 0 HG SER A 2 -37.930 25.381 19.570 1.00 0.00 H new ATOM 19 N SER A 3 -38.194 24.204 14.682 1.00 0.00 N ATOM 20 CA SER A 3 -38.275 22.862 14.117 1.00 0.00 C ATOM 21 C SER A 3 -36.882 22.284 13.891 1.00 0.00 C ATOM 22 O SER A 3 -35.875 22.937 14.161 1.00 0.00 O ATOM 23 CB SER A 3 -39.050 22.887 12.798 1.00 0.00 C ATOM 24 OG SER A 3 -38.169 22.929 11.689 1.00 0.00 O ATOM 0 H SER A 3 -37.787 24.901 14.058 1.00 0.00 H new ATOM 0 HA SER A 3 -38.803 22.226 14.828 1.00 0.00 H new ATOM 0 HB2 SER A 3 -39.685 22.004 12.729 1.00 0.00 H new ATOM 0 HB3 SER A 3 -39.709 23.755 12.776 1.00 0.00 H new ATOM 0 HG SER A 3 -38.689 22.943 10.858 1.00 0.00 H new ATOM 30 N GLY A 4 -36.833 21.052 13.392 1.00 0.00 N ATOM 31 CA GLY A 4 -35.559 20.405 13.137 1.00 0.00 C ATOM 32 C GLY A 4 -35.241 20.314 11.658 1.00 0.00 C ATOM 33 O GLY A 4 -35.498 19.291 11.023 1.00 0.00 O ATOM 0 H GLY A 4 -37.653 20.491 13.160 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.767 20.957 13.642 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -35.572 19.403 13.565 1.00 0.00 H new ATOM 37 N SER A 5 -34.681 21.386 11.108 1.00 0.00 N ATOM 38 CA SER A 5 -34.333 21.425 9.692 1.00 0.00 C ATOM 39 C SER A 5 -32.825 21.571 9.508 1.00 0.00 C ATOM 40 O SER A 5 -32.336 22.630 9.115 1.00 0.00 O ATOM 41 CB SER A 5 -35.056 22.581 8.999 1.00 0.00 C ATOM 42 OG SER A 5 -36.357 22.761 9.531 1.00 0.00 O ATOM 0 H SER A 5 -34.458 22.239 11.621 1.00 0.00 H new ATOM 0 HA SER A 5 -34.649 20.485 9.239 1.00 0.00 H new ATOM 0 HB2 SER A 5 -34.480 23.499 9.120 1.00 0.00 H new ATOM 0 HB3 SER A 5 -35.121 22.384 7.929 1.00 0.00 H new ATOM 0 HG SER A 5 -36.798 23.507 9.073 1.00 0.00 H new ATOM 48 N SER A 6 -32.094 20.498 9.795 1.00 0.00 N ATOM 49 CA SER A 6 -30.642 20.506 9.665 1.00 0.00 C ATOM 50 C SER A 6 -30.106 19.091 9.473 1.00 0.00 C ATOM 51 O SER A 6 -30.842 18.113 9.602 1.00 0.00 O ATOM 52 CB SER A 6 -30.002 21.142 10.901 1.00 0.00 C ATOM 53 OG SER A 6 -30.276 20.383 12.066 1.00 0.00 O ATOM 0 H SER A 6 -32.484 19.613 10.119 1.00 0.00 H new ATOM 0 HA SER A 6 -30.384 21.096 8.786 1.00 0.00 H new ATOM 0 HB2 SER A 6 -28.924 21.218 10.758 1.00 0.00 H new ATOM 0 HB3 SER A 6 -30.379 22.157 11.028 1.00 0.00 H new ATOM 0 HG SER A 6 -29.855 20.810 12.841 1.00 0.00 H new ATOM 59 N GLY A 7 -28.817 18.990 9.162 1.00 0.00 N ATOM 60 CA GLY A 7 -28.203 17.691 8.956 1.00 0.00 C ATOM 61 C GLY A 7 -26.866 17.787 8.248 1.00 0.00 C ATOM 62 O GLY A 7 -26.809 18.052 7.047 1.00 0.00 O ATOM 0 H GLY A 7 -28.187 19.784 9.049 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.066 17.201 9.920 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -28.876 17.063 8.372 1.00 0.00 H new ATOM 66 N ARG A 8 -25.787 17.573 8.994 1.00 0.00 N ATOM 67 CA ARG A 8 -24.444 17.640 8.431 1.00 0.00 C ATOM 68 C ARG A 8 -23.462 16.829 9.271 1.00 0.00 C ATOM 69 O ARG A 8 -23.532 16.829 10.499 1.00 0.00 O ATOM 70 CB ARG A 8 -23.977 19.094 8.344 1.00 0.00 C ATOM 71 CG ARG A 8 -23.156 19.396 7.101 1.00 0.00 C ATOM 72 CD ARG A 8 -24.044 19.618 5.887 1.00 0.00 C ATOM 73 NE ARG A 8 -24.484 21.006 5.777 1.00 0.00 N ATOM 74 CZ ARG A 8 -25.318 21.441 4.839 1.00 0.00 C ATOM 75 NH1 ARG A 8 -25.800 20.600 3.934 1.00 0.00 N ATOM 76 NH2 ARG A 8 -25.673 22.719 4.805 1.00 0.00 N ATOM 0 H ARG A 8 -25.817 17.352 9.989 1.00 0.00 H new ATOM 0 HA ARG A 8 -24.476 17.215 7.428 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -24.849 19.748 8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -23.384 19.330 9.227 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -22.545 20.282 7.273 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -22.472 18.570 6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -23.501 19.337 4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -24.915 18.966 5.951 1.00 0.00 H new ATOM 0 HE ARG A 8 -24.132 21.679 6.458 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -25.531 19.617 3.957 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -26.440 20.937 3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -25.305 23.369 5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -26.313 23.051 4.084 1.00 0.00 H new ATOM 90 N ASN A 9 -22.546 16.138 8.599 1.00 0.00 N ATOM 91 CA ASN A 9 -21.550 15.321 9.283 1.00 0.00 C ATOM 92 C ASN A 9 -20.156 15.576 8.717 1.00 0.00 C ATOM 93 O ASN A 9 -19.989 16.353 7.777 1.00 0.00 O ATOM 94 CB ASN A 9 -21.902 13.838 9.156 1.00 0.00 C ATOM 95 CG ASN A 9 -22.465 13.265 10.442 1.00 0.00 C ATOM 96 OD1 ASN A 9 -21.734 12.705 11.258 1.00 0.00 O ATOM 97 ND2 ASN A 9 -23.773 13.402 10.628 1.00 0.00 N ATOM 0 H ASN A 9 -22.473 16.128 7.582 1.00 0.00 H new ATOM 0 HA ASN A 9 -21.551 15.598 10.337 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -22.629 13.707 8.354 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -21.010 13.279 8.872 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -24.209 13.036 11.474 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -24.342 13.874 9.925 1.00 0.00 H new ATOM 104 N ASP A 10 -19.160 14.915 9.296 1.00 0.00 N ATOM 105 CA ASP A 10 -17.780 15.067 8.848 1.00 0.00 C ATOM 106 C ASP A 10 -16.991 13.781 9.072 1.00 0.00 C ATOM 107 O ASP A 10 -17.188 13.084 10.068 1.00 0.00 O ATOM 108 CB ASP A 10 -17.108 16.227 9.584 1.00 0.00 C ATOM 109 CG ASP A 10 -18.011 17.439 9.702 1.00 0.00 C ATOM 110 OD1 ASP A 10 -18.023 18.263 8.763 1.00 0.00 O ATOM 111 OD2 ASP A 10 -18.705 17.565 10.732 1.00 0.00 O ATOM 0 H ASP A 10 -19.282 14.269 10.076 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.792 15.283 7.780 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.813 15.899 10.581 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -16.195 16.507 9.058 1.00 0.00 H new ATOM 116 N THR A 11 -16.097 13.471 8.138 1.00 0.00 N ATOM 117 CA THR A 11 -15.280 12.268 8.231 1.00 0.00 C ATOM 118 C THR A 11 -13.797 12.614 8.295 1.00 0.00 C ATOM 119 O THR A 11 -13.190 12.971 7.285 1.00 0.00 O ATOM 120 CB THR A 11 -15.525 11.328 7.036 1.00 0.00 C ATOM 121 OG1 THR A 11 -16.379 11.965 6.079 1.00 0.00 O ATOM 122 CG2 THR A 11 -16.156 10.022 7.496 1.00 0.00 C ATOM 0 H THR A 11 -15.921 14.037 7.308 1.00 0.00 H new ATOM 0 HA THR A 11 -15.572 11.759 9.150 1.00 0.00 H new ATOM 0 HB THR A 11 -14.563 11.106 6.573 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.529 11.362 5.321 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.320 9.374 6.635 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.491 9.526 8.202 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.110 10.230 7.981 1.00 0.00 H new ATOM 130 N GLU A 12 -13.219 12.506 9.487 1.00 0.00 N ATOM 131 CA GLU A 12 -11.805 12.809 9.680 1.00 0.00 C ATOM 132 C GLU A 12 -11.217 11.961 10.804 1.00 0.00 C ATOM 133 O GLU A 12 -11.947 11.348 11.583 1.00 0.00 O ATOM 134 CB GLU A 12 -11.617 14.294 9.994 1.00 0.00 C ATOM 135 CG GLU A 12 -10.463 14.934 9.241 1.00 0.00 C ATOM 136 CD GLU A 12 -10.882 15.487 7.892 1.00 0.00 C ATOM 137 OE1 GLU A 12 -11.136 14.679 6.974 1.00 0.00 O ATOM 138 OE2 GLU A 12 -10.955 16.726 7.755 1.00 0.00 O ATOM 0 H GLU A 12 -13.707 12.211 10.333 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.279 12.572 8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.537 14.827 9.753 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.451 14.412 11.065 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.042 15.738 9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.674 14.196 9.098 1.00 0.00 H new ATOM 145 N CYS A 13 -9.890 11.932 10.883 1.00 0.00 N ATOM 146 CA CYS A 13 -9.201 11.160 11.910 1.00 0.00 C ATOM 147 C CYS A 13 -9.197 11.908 13.240 1.00 0.00 C ATOM 148 O CYS A 13 -8.802 13.072 13.309 1.00 0.00 O ATOM 149 CB CYS A 13 -7.765 10.862 11.475 1.00 0.00 C ATOM 150 SG CYS A 13 -6.929 9.600 12.488 1.00 0.00 S ATOM 0 H CYS A 13 -9.271 12.435 10.247 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.735 10.219 12.044 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.772 10.532 10.436 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.186 11.785 11.513 1.00 0.00 H new ATOM 155 N ASP A 14 -9.638 11.230 14.294 1.00 0.00 N ATOM 156 CA ASP A 14 -9.684 11.828 15.623 1.00 0.00 C ATOM 157 C ASP A 14 -8.402 11.535 16.396 1.00 0.00 C ATOM 158 O ASP A 14 -8.012 12.295 17.283 1.00 0.00 O ATOM 159 CB ASP A 14 -10.893 11.304 16.400 1.00 0.00 C ATOM 160 CG ASP A 14 -11.454 12.333 17.361 1.00 0.00 C ATOM 161 OD1 ASP A 14 -12.080 13.307 16.889 1.00 0.00 O ATOM 162 OD2 ASP A 14 -11.270 12.166 18.584 1.00 0.00 O ATOM 0 H ASP A 14 -9.969 10.266 14.254 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.777 12.908 15.505 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.671 11.005 15.697 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.605 10.411 16.955 1.00 0.00 H new ATOM 167 N LEU A 15 -7.750 10.429 16.053 1.00 0.00 N ATOM 168 CA LEU A 15 -6.511 10.035 16.715 1.00 0.00 C ATOM 169 C LEU A 15 -5.473 11.149 16.635 1.00 0.00 C ATOM 170 O LEU A 15 -4.761 11.419 17.603 1.00 0.00 O ATOM 171 CB LEU A 15 -5.956 8.758 16.081 1.00 0.00 C ATOM 172 CG LEU A 15 -6.734 7.473 16.368 1.00 0.00 C ATOM 173 CD1 LEU A 15 -7.320 6.907 15.084 1.00 0.00 C ATOM 174 CD2 LEU A 15 -5.838 6.447 17.045 1.00 0.00 C ATOM 0 H LEU A 15 -8.059 9.790 15.321 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.733 9.846 17.765 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.915 8.901 15.001 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.930 8.622 16.424 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.555 7.711 17.044 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.870 5.993 15.307 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.996 7.638 14.639 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.515 6.684 14.384 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.408 5.539 17.242 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.996 6.213 16.393 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.466 6.853 17.986 1.00 0.00 H new ATOM 186 N CYS A 16 -5.393 11.795 15.476 1.00 0.00 N ATOM 187 CA CYS A 16 -4.444 12.882 15.270 1.00 0.00 C ATOM 188 C CYS A 16 -5.171 14.198 15.010 1.00 0.00 C ATOM 189 O CYS A 16 -4.693 15.268 15.382 1.00 0.00 O ATOM 190 CB CYS A 16 -3.515 12.559 14.098 1.00 0.00 C ATOM 191 SG CYS A 16 -4.383 12.224 12.532 1.00 0.00 S ATOM 0 H CYS A 16 -5.975 11.584 14.665 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.850 12.990 16.178 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.830 13.394 13.950 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.908 11.691 14.358 1.00 0.00 H new ATOM 196 N GLY A 17 -6.332 14.109 14.367 1.00 0.00 N ATOM 197 CA GLY A 17 -7.107 15.299 14.068 1.00 0.00 C ATOM 198 C GLY A 17 -7.164 15.596 12.583 1.00 0.00 C ATOM 199 O GLY A 17 -8.188 16.045 12.071 1.00 0.00 O ATOM 0 H GLY A 17 -6.749 13.234 14.048 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.120 15.174 14.449 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.673 16.152 14.590 1.00 0.00 H new ATOM 203 N GLY A 18 -6.058 15.346 11.888 1.00 0.00 N ATOM 204 CA GLY A 18 -6.006 15.597 10.460 1.00 0.00 C ATOM 205 C GLY A 18 -4.797 16.419 10.059 1.00 0.00 C ATOM 206 O GLY A 18 -4.923 17.413 9.343 1.00 0.00 O ATOM 0 H GLY A 18 -5.197 14.974 12.289 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.988 14.646 9.928 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.913 16.117 10.152 1.00 0.00 H new ATOM 210 N ASP A 19 -3.623 16.006 10.523 1.00 0.00 N ATOM 211 CA ASP A 19 -2.386 16.712 10.209 1.00 0.00 C ATOM 212 C ASP A 19 -1.184 15.780 10.325 1.00 0.00 C ATOM 213 O ASP A 19 -1.207 14.785 11.051 1.00 0.00 O ATOM 214 CB ASP A 19 -2.208 17.913 11.140 1.00 0.00 C ATOM 215 CG ASP A 19 -2.445 19.233 10.434 1.00 0.00 C ATOM 216 OD1 ASP A 19 -1.515 19.719 9.756 1.00 0.00 O ATOM 217 OD2 ASP A 19 -3.560 19.781 10.559 1.00 0.00 O ATOM 0 H ASP A 19 -3.502 15.186 11.118 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.450 17.066 9.180 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.898 17.824 11.979 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.200 17.902 11.554 1.00 0.00 H new ATOM 222 N PRO A 20 -0.108 16.107 9.594 1.00 0.00 N ATOM 223 CA PRO A 20 1.123 15.312 9.598 1.00 0.00 C ATOM 224 C PRO A 20 1.872 15.409 10.922 1.00 0.00 C ATOM 225 O PRO A 20 2.275 14.397 11.493 1.00 0.00 O ATOM 226 CB PRO A 20 1.950 15.932 8.468 1.00 0.00 C ATOM 227 CG PRO A 20 1.451 17.331 8.359 1.00 0.00 C ATOM 228 CD PRO A 20 -0.011 17.279 8.707 1.00 0.00 C ATOM 0 HA PRO A 20 0.922 14.249 9.463 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.015 15.908 8.698 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.813 15.389 7.533 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.990 17.991 9.038 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.599 17.720 7.352 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.338 18.190 9.208 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.632 17.163 7.819 1.00 0.00 H new ATOM 236 N GLU A 21 2.055 16.635 11.404 1.00 0.00 N ATOM 237 CA GLU A 21 2.757 16.863 12.662 1.00 0.00 C ATOM 238 C GLU A 21 2.163 16.010 13.779 1.00 0.00 C ATOM 239 O GLU A 21 2.879 15.285 14.470 1.00 0.00 O ATOM 240 CB GLU A 21 2.693 18.343 13.046 1.00 0.00 C ATOM 241 CG GLU A 21 3.960 19.113 12.714 1.00 0.00 C ATOM 242 CD GLU A 21 5.159 18.633 13.508 1.00 0.00 C ATOM 243 OE1 GLU A 21 5.857 17.713 13.032 1.00 0.00 O ATOM 244 OE2 GLU A 21 5.400 19.179 14.605 1.00 0.00 O ATOM 0 H GLU A 21 1.727 17.484 10.943 1.00 0.00 H new ATOM 0 HA GLU A 21 3.799 16.575 12.524 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.851 18.807 12.532 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.498 18.424 14.115 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.171 19.016 11.649 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.799 20.173 12.911 1.00 0.00 H new ATOM 251 N LYS A 22 0.849 16.103 13.951 1.00 0.00 N ATOM 252 CA LYS A 22 0.156 15.341 14.983 1.00 0.00 C ATOM 253 C LYS A 22 0.435 13.848 14.837 1.00 0.00 C ATOM 254 O LYS A 22 -0.116 13.186 13.957 1.00 0.00 O ATOM 255 CB LYS A 22 -1.351 15.598 14.911 1.00 0.00 C ATOM 256 CG LYS A 22 -1.721 17.069 14.988 1.00 0.00 C ATOM 257 CD LYS A 22 -2.596 17.361 16.196 1.00 0.00 C ATOM 258 CE LYS A 22 -2.251 18.704 16.822 1.00 0.00 C ATOM 259 NZ LYS A 22 -3.467 19.523 17.083 1.00 0.00 N ATOM 0 H LYS A 22 0.242 16.699 13.388 1.00 0.00 H new ATOM 0 HA LYS A 22 0.529 15.669 15.953 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.738 15.183 13.980 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.841 15.065 15.726 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.814 17.671 15.040 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.246 17.361 14.078 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.644 17.356 15.897 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.472 16.571 16.936 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.715 18.542 17.757 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.580 19.251 16.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.190 20.430 17.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.965 19.700 16.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -4.096 19.012 17.735 1.00 0.00 H new ATOM 273 N LYS A 23 1.293 13.324 15.705 1.00 0.00 N ATOM 274 CA LYS A 23 1.644 11.909 15.675 1.00 0.00 C ATOM 275 C LYS A 23 0.393 11.037 15.705 1.00 0.00 C ATOM 276 O LYS A 23 -0.549 11.311 16.450 1.00 0.00 O ATOM 277 CB LYS A 23 2.549 11.561 16.859 1.00 0.00 C ATOM 278 CG LYS A 23 3.691 10.627 16.498 1.00 0.00 C ATOM 279 CD LYS A 23 4.818 10.704 17.514 1.00 0.00 C ATOM 280 CE LYS A 23 4.738 9.569 18.523 1.00 0.00 C ATOM 281 NZ LYS A 23 5.745 8.508 18.245 1.00 0.00 N ATOM 0 H LYS A 23 1.759 13.858 16.439 1.00 0.00 H new ATOM 0 HA LYS A 23 2.180 11.714 14.746 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.961 12.481 17.274 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.947 11.100 17.642 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.321 9.603 16.441 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.073 10.883 15.510 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.777 10.666 16.998 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.774 11.660 18.036 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.894 9.964 19.527 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.738 9.135 18.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.924 7.963 19.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.384 7.872 17.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.631 8.946 17.923 1.00 0.00 H new ATOM 295 N CYS A 24 0.390 9.985 14.893 1.00 0.00 N ATOM 296 CA CYS A 24 -0.745 9.072 14.828 1.00 0.00 C ATOM 297 C CYS A 24 -0.273 7.625 14.723 1.00 0.00 C ATOM 298 O CYS A 24 0.839 7.354 14.270 1.00 0.00 O ATOM 299 CB CYS A 24 -1.636 9.418 13.633 1.00 0.00 C ATOM 300 SG CYS A 24 -3.386 8.963 13.854 1.00 0.00 S ATOM 0 H CYS A 24 1.161 9.744 14.271 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.322 9.182 15.746 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.571 10.489 13.443 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.250 8.914 12.747 1.00 0.00 H new ATOM 305 N HIS A 25 -1.127 6.698 15.146 1.00 0.00 N ATOM 306 CA HIS A 25 -0.799 5.278 15.099 1.00 0.00 C ATOM 307 C HIS A 25 -1.452 4.608 13.893 1.00 0.00 C ATOM 308 O HIS A 25 -0.929 3.635 13.352 1.00 0.00 O ATOM 309 CB HIS A 25 -1.248 4.586 16.386 1.00 0.00 C ATOM 310 CG HIS A 25 -0.113 4.182 17.276 1.00 0.00 C ATOM 311 ND1 HIS A 25 1.052 3.617 16.801 1.00 0.00 N ATOM 312 CD2 HIS A 25 0.032 4.265 18.620 1.00 0.00 C ATOM 313 CE1 HIS A 25 1.863 3.369 17.814 1.00 0.00 C ATOM 314 NE2 HIS A 25 1.268 3.753 18.928 1.00 0.00 N ATOM 0 H HIS A 25 -2.051 6.905 15.525 1.00 0.00 H new ATOM 0 HA HIS A 25 0.283 5.184 15.003 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.910 5.254 16.936 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -1.830 3.701 16.129 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.690 4.660 19.319 1.00 0.00 H new ATOM 0 HE1 HIS A 25 2.846 2.927 17.743 1.00 0.00 H new ATOM 0 HE2 HIS A 25 1.663 3.681 19.866 1.00 0.00 H new ATOM 322 N SER A 26 -2.599 5.137 13.479 1.00 0.00 N ATOM 323 CA SER A 26 -3.327 4.587 12.340 1.00 0.00 C ATOM 324 C SER A 26 -2.793 5.156 11.029 1.00 0.00 C ATOM 325 O SER A 26 -2.356 4.413 10.149 1.00 0.00 O ATOM 326 CB SER A 26 -4.821 4.890 12.469 1.00 0.00 C ATOM 327 OG SER A 26 -5.544 4.365 11.369 1.00 0.00 O ATOM 0 H SER A 26 -3.044 5.945 13.914 1.00 0.00 H new ATOM 0 HA SER A 26 -3.181 3.507 12.334 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.203 4.463 13.396 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.973 5.968 12.527 1.00 0.00 H new ATOM 0 HG SER A 26 -6.496 4.570 11.476 1.00 0.00 H new ATOM 333 N CYS A 27 -2.831 6.478 10.906 1.00 0.00 N ATOM 334 CA CYS A 27 -2.352 7.148 9.703 1.00 0.00 C ATOM 335 C CYS A 27 -0.910 6.752 9.397 1.00 0.00 C ATOM 336 O CYS A 27 -0.477 6.788 8.245 1.00 0.00 O ATOM 337 CB CYS A 27 -2.451 8.666 9.866 1.00 0.00 C ATOM 338 SG CYS A 27 -4.150 9.279 10.105 1.00 0.00 S ATOM 0 H CYS A 27 -3.189 7.107 11.625 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.981 6.836 8.869 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.843 8.970 10.719 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.024 9.144 8.984 1.00 0.00 H new ATOM 343 N SER A 28 -0.173 6.373 10.436 1.00 0.00 N ATOM 344 CA SER A 28 1.220 5.973 10.279 1.00 0.00 C ATOM 345 C SER A 28 1.453 4.579 10.854 1.00 0.00 C ATOM 346 O SER A 28 0.507 3.870 11.197 1.00 0.00 O ATOM 347 CB SER A 28 2.143 6.981 10.967 1.00 0.00 C ATOM 348 OG SER A 28 2.386 6.613 12.314 1.00 0.00 O ATOM 0 H SER A 28 -0.517 6.335 11.395 1.00 0.00 H new ATOM 0 HA SER A 28 1.448 5.951 9.213 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.088 7.041 10.427 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.693 7.973 10.933 1.00 0.00 H new ATOM 0 HG SER A 28 3.261 6.177 12.381 1.00 0.00 H new ATOM 354 N CYS A 29 2.720 4.192 10.956 1.00 0.00 N ATOM 355 CA CYS A 29 3.080 2.883 11.487 1.00 0.00 C ATOM 356 C CYS A 29 2.449 2.661 12.859 1.00 0.00 C ATOM 357 O CYS A 29 2.596 3.484 13.762 1.00 0.00 O ATOM 358 CB CYS A 29 4.601 2.750 11.586 1.00 0.00 C ATOM 359 SG CYS A 29 5.182 1.046 11.864 1.00 0.00 S ATOM 0 H CYS A 29 3.515 4.767 10.678 1.00 0.00 H new ATOM 0 HA CYS A 29 2.699 2.124 10.804 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.049 3.130 10.668 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.958 3.381 12.400 1.00 0.00 H new ATOM 364 N ARG A 30 1.746 1.543 13.006 1.00 0.00 N ATOM 365 CA ARG A 30 1.091 1.212 14.266 1.00 0.00 C ATOM 366 C ARG A 30 1.986 0.327 15.128 1.00 0.00 C ATOM 367 O ARG A 30 1.783 0.209 16.336 1.00 0.00 O ATOM 368 CB ARG A 30 -0.241 0.508 14.004 1.00 0.00 C ATOM 369 CG ARG A 30 -1.281 0.750 15.086 1.00 0.00 C ATOM 370 CD ARG A 30 -2.603 1.213 14.494 1.00 0.00 C ATOM 371 NE ARG A 30 -3.744 0.539 15.109 1.00 0.00 N ATOM 372 CZ ARG A 30 -4.121 0.731 16.368 1.00 0.00 C ATOM 373 NH1 ARG A 30 -3.452 1.574 17.142 1.00 0.00 N ATOM 374 NH2 ARG A 30 -5.170 0.081 16.855 1.00 0.00 N ATOM 0 H ARG A 30 1.615 0.851 12.268 1.00 0.00 H new ATOM 0 HA ARG A 30 0.903 2.141 14.803 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.639 0.846 13.047 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.064 -0.564 13.915 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.437 -0.167 15.654 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.912 1.500 15.786 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.703 2.290 14.628 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.606 1.024 13.421 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.281 -0.115 14.540 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.646 2.077 16.771 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.743 1.720 18.109 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.688 -0.567 16.262 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.458 0.230 17.822 1.00 0.00 H new ATOM 388 N VAL A 31 2.977 -0.296 14.497 1.00 0.00 N ATOM 389 CA VAL A 31 3.904 -1.170 15.206 1.00 0.00 C ATOM 390 C VAL A 31 4.845 -0.368 16.098 1.00 0.00 C ATOM 391 O VAL A 31 4.707 -0.366 17.322 1.00 0.00 O ATOM 392 CB VAL A 31 4.740 -2.015 14.225 1.00 0.00 C ATOM 393 CG1 VAL A 31 5.735 -2.882 14.981 1.00 0.00 C ATOM 394 CG2 VAL A 31 3.833 -2.867 13.350 1.00 0.00 C ATOM 0 H VAL A 31 3.158 -0.211 13.497 1.00 0.00 H new ATOM 0 HA VAL A 31 3.301 -1.834 15.825 1.00 0.00 H new ATOM 0 HB VAL A 31 5.301 -1.341 13.578 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.316 -3.471 14.272 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.405 -2.246 15.560 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.198 -3.550 15.654 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.440 -3.457 12.663 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.243 -3.534 13.979 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.165 -2.221 12.780 1.00 0.00 H new ATOM 404 N CYS A 32 5.801 0.314 15.477 1.00 0.00 N ATOM 405 CA CYS A 32 6.766 1.122 16.214 1.00 0.00 C ATOM 406 C CYS A 32 6.156 2.460 16.623 1.00 0.00 C ATOM 407 O CYS A 32 6.581 3.075 17.600 1.00 0.00 O ATOM 408 CB CYS A 32 8.017 1.358 15.366 1.00 0.00 C ATOM 409 SG CYS A 32 7.769 2.510 13.977 1.00 0.00 S ATOM 0 H CYS A 32 5.929 0.324 14.465 1.00 0.00 H new ATOM 0 HA CYS A 32 7.044 0.578 17.117 1.00 0.00 H new ATOM 0 HB2 CYS A 32 8.810 1.744 16.007 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.362 0.402 14.973 1.00 0.00 H new ATOM 414 N GLY A 33 5.155 2.903 15.868 1.00 0.00 N ATOM 415 CA GLY A 33 4.503 4.164 16.168 1.00 0.00 C ATOM 416 C GLY A 33 5.243 5.353 15.586 1.00 0.00 C ATOM 417 O GLY A 33 5.321 6.410 16.211 1.00 0.00 O ATOM 0 H GLY A 33 4.784 2.411 15.055 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.486 4.146 15.776 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.426 4.282 17.249 1.00 0.00 H new ATOM 421 N GLY A 34 5.788 5.179 14.386 1.00 0.00 N ATOM 422 CA GLY A 34 6.520 6.254 13.742 1.00 0.00 C ATOM 423 C GLY A 34 5.726 6.911 12.631 1.00 0.00 C ATOM 424 O GLY A 34 4.935 6.257 11.951 1.00 0.00 O ATOM 0 H GLY A 34 5.736 4.314 13.849 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.787 7.004 14.486 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.452 5.862 13.335 1.00 0.00 H new ATOM 428 N LYS A 35 5.935 8.210 12.445 1.00 0.00 N ATOM 429 CA LYS A 35 5.233 8.958 11.409 1.00 0.00 C ATOM 430 C LYS A 35 6.215 9.542 10.399 1.00 0.00 C ATOM 431 O LYS A 35 6.113 10.710 10.023 1.00 0.00 O ATOM 432 CB LYS A 35 4.402 10.080 12.036 1.00 0.00 C ATOM 433 CG LYS A 35 3.366 10.669 11.094 1.00 0.00 C ATOM 434 CD LYS A 35 2.136 11.149 11.846 1.00 0.00 C ATOM 435 CE LYS A 35 0.979 11.431 10.900 1.00 0.00 C ATOM 436 NZ LYS A 35 0.543 10.205 10.176 1.00 0.00 N ATOM 0 H LYS A 35 6.586 8.767 12.999 1.00 0.00 H new ATOM 0 HA LYS A 35 4.568 8.270 10.887 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.898 9.695 12.922 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.071 10.874 12.369 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.805 11.501 10.544 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.074 9.919 10.358 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.836 10.395 12.574 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.379 12.053 12.404 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.140 11.837 11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.277 12.192 10.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.300 10.420 9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.309 9.879 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.315 9.459 10.863 1.00 0.00 H new ATOM 450 N HIS A 36 7.166 8.722 9.962 1.00 0.00 N ATOM 451 CA HIS A 36 8.165 9.157 8.994 1.00 0.00 C ATOM 452 C HIS A 36 8.272 8.165 7.840 1.00 0.00 C ATOM 453 O HIS A 36 7.674 7.090 7.877 1.00 0.00 O ATOM 454 CB HIS A 36 9.527 9.318 9.671 1.00 0.00 C ATOM 455 CG HIS A 36 9.991 8.084 10.382 1.00 0.00 C ATOM 456 ND1 HIS A 36 9.410 7.620 11.543 1.00 0.00 N ATOM 457 CD2 HIS A 36 10.987 7.215 10.088 1.00 0.00 C ATOM 458 CE1 HIS A 36 10.029 6.521 11.934 1.00 0.00 C ATOM 459 NE2 HIS A 36 10.989 6.253 11.068 1.00 0.00 N ATOM 0 H HIS A 36 7.265 7.753 10.263 1.00 0.00 H new ATOM 0 HA HIS A 36 7.851 10.121 8.594 1.00 0.00 H new ATOM 0 HB2 HIS A 36 10.267 9.595 8.920 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.474 10.140 10.384 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.655 7.268 9.241 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.791 5.940 12.813 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.628 5.460 11.119 1.00 0.00 H new ATOM 467 N GLU A 37 9.036 8.534 6.817 1.00 0.00 N ATOM 468 CA GLU A 37 9.219 7.677 5.652 1.00 0.00 C ATOM 469 C GLU A 37 7.874 7.293 5.042 1.00 0.00 C ATOM 470 O GLU A 37 7.464 6.132 5.061 1.00 0.00 O ATOM 471 CB GLU A 37 9.995 6.415 6.036 1.00 0.00 C ATOM 472 CG GLU A 37 11.437 6.685 6.432 1.00 0.00 C ATOM 473 CD GLU A 37 12.126 5.459 6.999 1.00 0.00 C ATOM 474 OE1 GLU A 37 11.916 4.355 6.454 1.00 0.00 O ATOM 475 OE2 GLU A 37 12.875 5.604 7.987 1.00 0.00 O ATOM 0 H GLU A 37 9.538 9.421 6.771 1.00 0.00 H new ATOM 0 HA GLU A 37 9.790 8.235 4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.485 5.923 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.982 5.720 5.196 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.989 7.037 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.463 7.486 7.171 1.00 0.00 H new ATOM 482 N PRO A 38 7.169 8.291 4.489 1.00 0.00 N ATOM 483 CA PRO A 38 5.859 8.084 3.864 1.00 0.00 C ATOM 484 C PRO A 38 5.957 7.300 2.560 1.00 0.00 C ATOM 485 O PRO A 38 4.967 6.753 2.078 1.00 0.00 O ATOM 486 CB PRO A 38 5.365 9.507 3.596 1.00 0.00 C ATOM 487 CG PRO A 38 6.605 10.326 3.490 1.00 0.00 C ATOM 488 CD PRO A 38 7.596 9.699 4.432 1.00 0.00 C ATOM 0 HA PRO A 38 5.193 7.499 4.498 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.779 9.556 2.678 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.724 9.862 4.403 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.985 10.329 2.468 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.412 11.364 3.761 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.617 9.795 4.063 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.567 10.168 5.416 1.00 0.00 H new ATOM 496 N ASN A 39 7.159 7.249 1.994 1.00 0.00 N ATOM 497 CA ASN A 39 7.386 6.531 0.745 1.00 0.00 C ATOM 498 C ASN A 39 7.544 5.035 0.998 1.00 0.00 C ATOM 499 O ASN A 39 7.227 4.213 0.140 1.00 0.00 O ATOM 500 CB ASN A 39 8.630 7.074 0.039 1.00 0.00 C ATOM 501 CG ASN A 39 9.916 6.532 0.634 1.00 0.00 C ATOM 502 OD1 ASN A 39 10.504 5.586 0.112 1.00 0.00 O ATOM 503 ND2 ASN A 39 10.358 7.132 1.733 1.00 0.00 N ATOM 0 H ASN A 39 7.990 7.696 2.380 1.00 0.00 H new ATOM 0 HA ASN A 39 6.517 6.683 0.105 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.586 6.816 -1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.634 8.162 0.102 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.218 6.811 2.178 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.838 7.914 2.132 1.00 0.00 H new ATOM 510 N MET A 40 8.037 4.690 2.184 1.00 0.00 N ATOM 511 CA MET A 40 8.235 3.293 2.551 1.00 0.00 C ATOM 512 C MET A 40 7.084 2.789 3.417 1.00 0.00 C ATOM 513 O MET A 40 7.251 1.861 4.207 1.00 0.00 O ATOM 514 CB MET A 40 9.561 3.122 3.295 1.00 0.00 C ATOM 515 CG MET A 40 10.765 3.627 2.515 1.00 0.00 C ATOM 516 SD MET A 40 12.302 3.490 3.447 1.00 0.00 S ATOM 517 CE MET A 40 12.773 1.802 3.077 1.00 0.00 C ATOM 0 H MET A 40 8.306 5.358 2.906 1.00 0.00 H new ATOM 0 HA MET A 40 8.262 2.703 1.635 1.00 0.00 H new ATOM 0 HB2 MET A 40 9.506 3.652 4.246 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.705 2.067 3.527 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.855 3.062 1.587 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.603 4.669 2.239 1.00 0.00 H new ATOM 0 HE1 MET A 40 13.544 1.478 3.776 1.00 0.00 H new ATOM 0 HE2 MET A 40 11.902 1.153 3.170 1.00 0.00 H new ATOM 0 HE3 MET A 40 13.160 1.747 2.059 1.00 0.00 H new ATOM 527 N GLN A 41 5.919 3.409 3.263 1.00 0.00 N ATOM 528 CA GLN A 41 4.742 3.024 4.032 1.00 0.00 C ATOM 529 C GLN A 41 3.751 2.257 3.163 1.00 0.00 C ATOM 530 O GLN A 41 3.378 2.710 2.080 1.00 0.00 O ATOM 531 CB GLN A 41 4.066 4.261 4.625 1.00 0.00 C ATOM 532 CG GLN A 41 4.538 4.597 6.031 1.00 0.00 C ATOM 533 CD GLN A 41 4.290 6.046 6.400 1.00 0.00 C ATOM 534 OE1 GLN A 41 5.211 6.769 6.780 1.00 0.00 O ATOM 535 NE2 GLN A 41 3.039 6.479 6.290 1.00 0.00 N ATOM 0 H GLN A 41 5.765 4.180 2.613 1.00 0.00 H new ATOM 0 HA GLN A 41 5.067 2.372 4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.254 5.115 3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.988 4.103 4.641 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.027 3.952 6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.604 4.383 6.113 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.306 5.845 5.971 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.811 7.445 6.525 1.00 0.00 H new ATOM 544 N LEU A 42 3.327 1.093 3.643 1.00 0.00 N ATOM 545 CA LEU A 42 2.379 0.262 2.910 1.00 0.00 C ATOM 546 C LEU A 42 0.965 0.442 3.452 1.00 0.00 C ATOM 547 O LEU A 42 0.725 0.303 4.652 1.00 0.00 O ATOM 548 CB LEU A 42 2.787 -1.210 2.997 1.00 0.00 C ATOM 549 CG LEU A 42 4.288 -1.495 2.939 1.00 0.00 C ATOM 550 CD1 LEU A 42 4.558 -2.979 3.139 1.00 0.00 C ATOM 551 CD2 LEU A 42 4.870 -1.019 1.616 1.00 0.00 C ATOM 0 H LEU A 42 3.625 0.703 4.537 1.00 0.00 H new ATOM 0 HA LEU A 42 2.391 0.575 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.395 -1.620 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.303 -1.749 2.182 1.00 0.00 H new ATOM 0 HG LEU A 42 4.774 -0.946 3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.631 -3.163 3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.177 -3.290 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.060 -3.548 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.939 -1.230 1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.379 -1.540 0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.709 0.054 1.513 1.00 0.00 H new ATOM 563 N LEU A 43 0.030 0.750 2.559 1.00 0.00 N ATOM 564 CA LEU A 43 -1.363 0.947 2.947 1.00 0.00 C ATOM 565 C LEU A 43 -2.177 -0.321 2.714 1.00 0.00 C ATOM 566 O LEU A 43 -2.022 -0.993 1.694 1.00 0.00 O ATOM 567 CB LEU A 43 -1.971 2.110 2.161 1.00 0.00 C ATOM 568 CG LEU A 43 -2.508 3.275 2.994 1.00 0.00 C ATOM 569 CD1 LEU A 43 -3.751 2.853 3.762 1.00 0.00 C ATOM 570 CD2 LEU A 43 -1.438 3.787 3.947 1.00 0.00 C ATOM 0 H LEU A 43 0.211 0.869 1.562 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.389 1.182 4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.214 2.496 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.785 1.722 1.548 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.781 4.085 2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.119 3.694 4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.522 2.535 3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.504 2.026 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.838 4.616 4.532 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.133 2.984 4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.575 4.129 3.375 1.00 0.00 H new ATOM 582 N CYS A 44 -3.049 -0.641 3.664 1.00 0.00 N ATOM 583 CA CYS A 44 -3.890 -1.827 3.563 1.00 0.00 C ATOM 584 C CYS A 44 -5.132 -1.543 2.723 1.00 0.00 C ATOM 585 O CYS A 44 -5.698 -0.451 2.782 1.00 0.00 O ATOM 586 CB CYS A 44 -4.302 -2.307 4.956 1.00 0.00 C ATOM 587 SG CYS A 44 -5.405 -3.757 4.948 1.00 0.00 S ATOM 0 H CYS A 44 -3.192 -0.095 4.513 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.312 -2.610 3.073 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -3.405 -2.550 5.525 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.799 -1.489 5.478 1.00 0.00 H new ATOM 592 N ASP A 45 -5.550 -2.533 1.942 1.00 0.00 N ATOM 593 CA ASP A 45 -6.726 -2.391 1.090 1.00 0.00 C ATOM 594 C ASP A 45 -7.973 -2.913 1.795 1.00 0.00 C ATOM 595 O ASP A 45 -8.815 -3.569 1.182 1.00 0.00 O ATOM 596 CB ASP A 45 -6.520 -3.137 -0.229 1.00 0.00 C ATOM 597 CG ASP A 45 -7.041 -2.359 -1.421 1.00 0.00 C ATOM 598 OD1 ASP A 45 -6.493 -1.273 -1.707 1.00 0.00 O ATOM 599 OD2 ASP A 45 -7.995 -2.836 -2.069 1.00 0.00 O ATOM 0 H ASP A 45 -5.092 -3.443 1.881 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.866 -1.331 0.880 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.458 -3.339 -0.367 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.024 -4.102 -0.180 1.00 0.00 H new ATOM 604 N GLU A 46 -8.085 -2.618 3.087 1.00 0.00 N ATOM 605 CA GLU A 46 -9.229 -3.061 3.874 1.00 0.00 C ATOM 606 C GLU A 46 -9.498 -2.101 5.030 1.00 0.00 C ATOM 607 O GLU A 46 -10.576 -1.514 5.127 1.00 0.00 O ATOM 608 CB GLU A 46 -8.990 -4.472 4.414 1.00 0.00 C ATOM 609 CG GLU A 46 -10.234 -5.119 4.999 1.00 0.00 C ATOM 610 CD GLU A 46 -11.351 -5.260 3.983 1.00 0.00 C ATOM 611 OE1 GLU A 46 -11.046 -5.414 2.783 1.00 0.00 O ATOM 612 OE2 GLU A 46 -12.531 -5.217 4.390 1.00 0.00 O ATOM 0 H GLU A 46 -7.398 -2.075 3.610 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.103 -3.073 3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.608 -5.100 3.609 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.217 -4.432 5.181 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.977 -6.103 5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.587 -4.524 5.841 1.00 0.00 H new ATOM 619 N CYS A 47 -8.510 -1.947 5.906 1.00 0.00 N ATOM 620 CA CYS A 47 -8.638 -1.061 7.056 1.00 0.00 C ATOM 621 C CYS A 47 -7.961 0.280 6.787 1.00 0.00 C ATOM 622 O CYS A 47 -8.179 1.253 7.508 1.00 0.00 O ATOM 623 CB CYS A 47 -8.029 -1.713 8.299 1.00 0.00 C ATOM 624 SG CYS A 47 -6.265 -2.133 8.129 1.00 0.00 S ATOM 0 H CYS A 47 -7.611 -2.425 5.841 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.699 -0.884 7.231 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.151 -1.039 9.147 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.587 -2.620 8.531 1.00 0.00 H new ATOM 629 N ASN A 48 -7.138 0.322 5.744 1.00 0.00 N ATOM 630 CA ASN A 48 -6.428 1.543 5.380 1.00 0.00 C ATOM 631 C ASN A 48 -5.461 1.960 6.484 1.00 0.00 C ATOM 632 O ASN A 48 -5.623 3.013 7.101 1.00 0.00 O ATOM 633 CB ASN A 48 -7.423 2.673 5.104 1.00 0.00 C ATOM 634 CG ASN A 48 -8.561 2.234 4.203 1.00 0.00 C ATOM 635 OD1 ASN A 48 -8.382 2.063 2.997 1.00 0.00 O ATOM 636 ND2 ASN A 48 -9.740 2.050 4.786 1.00 0.00 N ATOM 0 H ASN A 48 -6.946 -0.475 5.137 1.00 0.00 H new ATOM 0 HA ASN A 48 -5.854 1.344 4.475 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.830 3.034 6.049 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.899 3.510 4.642 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.543 1.755 4.231 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -9.842 2.204 5.789 1.00 0.00 H new ATOM 643 N VAL A 49 -4.455 1.127 6.727 1.00 0.00 N ATOM 644 CA VAL A 49 -3.460 1.410 7.755 1.00 0.00 C ATOM 645 C VAL A 49 -2.054 1.442 7.165 1.00 0.00 C ATOM 646 O VAL A 49 -1.684 0.580 6.369 1.00 0.00 O ATOM 647 CB VAL A 49 -3.507 0.363 8.884 1.00 0.00 C ATOM 648 CG1 VAL A 49 -3.069 -1.000 8.368 1.00 0.00 C ATOM 649 CG2 VAL A 49 -2.639 0.802 10.054 1.00 0.00 C ATOM 0 H VAL A 49 -4.307 0.251 6.226 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.700 2.390 8.167 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.536 0.279 9.235 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.109 -1.726 9.180 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.735 -1.316 7.565 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.049 -0.935 7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.684 0.051 10.842 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.608 0.916 9.719 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.003 1.755 10.439 1.00 0.00 H new ATOM 659 N ALA A 50 -1.275 2.444 7.562 1.00 0.00 N ATOM 660 CA ALA A 50 0.091 2.588 7.075 1.00 0.00 C ATOM 661 C ALA A 50 1.067 1.795 7.937 1.00 0.00 C ATOM 662 O ALA A 50 1.124 1.975 9.154 1.00 0.00 O ATOM 663 CB ALA A 50 0.487 4.056 7.041 1.00 0.00 C ATOM 0 H ALA A 50 -1.567 3.167 8.219 1.00 0.00 H new ATOM 0 HA ALA A 50 0.133 2.188 6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.510 4.149 6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.186 4.599 6.378 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.422 4.474 8.046 1.00 0.00 H new ATOM 669 N TYR A 51 1.834 0.917 7.299 1.00 0.00 N ATOM 670 CA TYR A 51 2.806 0.094 8.009 1.00 0.00 C ATOM 671 C TYR A 51 4.159 0.120 7.304 1.00 0.00 C ATOM 672 O TYR A 51 4.236 0.043 6.078 1.00 0.00 O ATOM 673 CB TYR A 51 2.303 -1.347 8.117 1.00 0.00 C ATOM 674 CG TYR A 51 1.447 -1.599 9.338 1.00 0.00 C ATOM 675 CD1 TYR A 51 1.974 -1.475 10.618 1.00 0.00 C ATOM 676 CD2 TYR A 51 0.112 -1.962 9.211 1.00 0.00 C ATOM 677 CE1 TYR A 51 1.196 -1.705 11.736 1.00 0.00 C ATOM 678 CE2 TYR A 51 -0.674 -2.193 10.324 1.00 0.00 C ATOM 679 CZ TYR A 51 -0.128 -2.063 11.584 1.00 0.00 C ATOM 680 OH TYR A 51 -0.907 -2.293 12.694 1.00 0.00 O ATOM 0 H TYR A 51 1.801 0.757 6.292 1.00 0.00 H new ATOM 0 HA TYR A 51 2.930 0.505 9.011 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.728 -1.590 7.224 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.159 -2.021 8.138 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.010 -1.194 10.741 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.319 -2.065 8.226 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.622 -1.605 12.724 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.710 -2.474 10.208 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.814 -2.534 12.413 1.00 0.00 H new ATOM 690 N HIS A 52 5.226 0.230 8.090 1.00 0.00 N ATOM 691 CA HIS A 52 6.577 0.266 7.544 1.00 0.00 C ATOM 692 C HIS A 52 6.971 -1.095 6.977 1.00 0.00 C ATOM 693 O HIS A 52 6.348 -2.111 7.288 1.00 0.00 O ATOM 694 CB HIS A 52 7.575 0.690 8.622 1.00 0.00 C ATOM 695 CG HIS A 52 7.386 2.100 9.091 1.00 0.00 C ATOM 696 ND1 HIS A 52 7.899 2.572 10.281 1.00 0.00 N ATOM 697 CD2 HIS A 52 6.738 3.143 8.523 1.00 0.00 C ATOM 698 CE1 HIS A 52 7.573 3.844 10.425 1.00 0.00 C ATOM 699 NE2 HIS A 52 6.868 4.215 9.371 1.00 0.00 N ATOM 0 H HIS A 52 5.180 0.296 9.107 1.00 0.00 H new ATOM 0 HA HIS A 52 6.595 0.996 6.735 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.484 0.017 9.475 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.587 0.578 8.233 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.215 3.134 7.578 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.838 4.473 11.262 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.483 5.146 9.213 1.00 0.00 H new ATOM 707 N ILE A 53 8.006 -1.107 6.145 1.00 0.00 N ATOM 708 CA ILE A 53 8.482 -2.343 5.536 1.00 0.00 C ATOM 709 C ILE A 53 9.393 -3.110 6.488 1.00 0.00 C ATOM 710 O ILE A 53 9.684 -4.287 6.274 1.00 0.00 O ATOM 711 CB ILE A 53 9.242 -2.069 4.225 1.00 0.00 C ATOM 712 CG1 ILE A 53 10.454 -1.173 4.490 1.00 0.00 C ATOM 713 CG2 ILE A 53 8.317 -1.429 3.201 1.00 0.00 C ATOM 714 CD1 ILE A 53 11.712 -1.637 3.791 1.00 0.00 C ATOM 0 H ILE A 53 8.531 -0.275 5.877 1.00 0.00 H new ATOM 0 HA ILE A 53 7.601 -2.946 5.316 1.00 0.00 H new ATOM 0 HB ILE A 53 9.597 -3.018 3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.222 -0.158 4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.638 -1.133 5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.868 -1.241 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.483 -2.100 2.995 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.936 -0.487 3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.530 -0.955 4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.968 -2.640 4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 53 11.546 -1.650 2.714 1.00 0.00 H new ATOM 726 N TYR A 54 9.840 -2.435 7.542 1.00 0.00 N ATOM 727 CA TYR A 54 10.720 -3.053 8.528 1.00 0.00 C ATOM 728 C TYR A 54 10.041 -3.127 9.892 1.00 0.00 C ATOM 729 O TYR A 54 10.705 -3.146 10.929 1.00 0.00 O ATOM 730 CB TYR A 54 12.027 -2.267 8.638 1.00 0.00 C ATOM 731 CG TYR A 54 11.829 -0.770 8.721 1.00 0.00 C ATOM 732 CD1 TYR A 54 11.534 -0.154 9.931 1.00 0.00 C ATOM 733 CD2 TYR A 54 11.938 0.029 7.589 1.00 0.00 C ATOM 734 CE1 TYR A 54 11.352 1.213 10.011 1.00 0.00 C ATOM 735 CE2 TYR A 54 11.758 1.397 7.660 1.00 0.00 C ATOM 736 CZ TYR A 54 11.465 1.984 8.873 1.00 0.00 C ATOM 737 OH TYR A 54 11.285 3.346 8.949 1.00 0.00 O ATOM 0 H TYR A 54 9.608 -1.461 7.735 1.00 0.00 H new ATOM 0 HA TYR A 54 10.941 -4.068 8.197 1.00 0.00 H new ATOM 0 HB2 TYR A 54 12.570 -2.603 9.522 1.00 0.00 H new ATOM 0 HB3 TYR A 54 12.652 -2.495 7.775 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.445 -0.754 10.824 1.00 0.00 H new ATOM 0 HD2 TYR A 54 12.167 -0.427 6.637 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.122 1.676 10.960 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.846 2.003 6.771 1.00 0.00 H new ATOM 0 HH TYR A 54 11.557 3.663 9.836 1.00 0.00 H new ATOM 747 N CYS A 55 8.713 -3.170 9.883 1.00 0.00 N ATOM 748 CA CYS A 55 7.942 -3.243 11.118 1.00 0.00 C ATOM 749 C CYS A 55 6.808 -4.257 10.992 1.00 0.00 C ATOM 750 O CYS A 55 5.836 -4.215 11.747 1.00 0.00 O ATOM 751 CB CYS A 55 7.373 -1.868 11.471 1.00 0.00 C ATOM 752 SG CYS A 55 8.635 -0.642 11.945 1.00 0.00 S ATOM 0 H CYS A 55 8.148 -3.156 9.034 1.00 0.00 H new ATOM 0 HA CYS A 55 8.610 -3.568 11.915 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.814 -1.487 10.616 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.664 -1.979 12.291 1.00 0.00 H new ATOM 757 N LEU A 56 6.940 -5.168 10.034 1.00 0.00 N ATOM 758 CA LEU A 56 5.927 -6.193 9.808 1.00 0.00 C ATOM 759 C LEU A 56 6.241 -7.453 10.609 1.00 0.00 C ATOM 760 O LEU A 56 7.217 -7.499 11.355 1.00 0.00 O ATOM 761 CB LEU A 56 5.837 -6.530 8.319 1.00 0.00 C ATOM 762 CG LEU A 56 5.046 -5.547 7.455 1.00 0.00 C ATOM 763 CD1 LEU A 56 5.136 -5.935 5.987 1.00 0.00 C ATOM 764 CD2 LEU A 56 3.594 -5.490 7.906 1.00 0.00 C ATOM 0 H LEU A 56 7.739 -5.218 9.401 1.00 0.00 H new ATOM 0 HA LEU A 56 4.967 -5.801 10.143 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.849 -6.600 7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.386 -7.517 8.217 1.00 0.00 H new ATOM 0 HG LEU A 56 5.482 -4.555 7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.567 -5.224 5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.179 -5.923 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.726 -6.936 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.046 -4.786 7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.146 -6.480 7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.548 -5.164 8.945 1.00 0.00 H new ATOM 776 N ASN A 57 5.406 -8.475 10.445 1.00 0.00 N ATOM 777 CA ASN A 57 5.596 -9.737 11.151 1.00 0.00 C ATOM 778 C ASN A 57 5.095 -10.909 10.313 1.00 0.00 C ATOM 779 O ASN A 57 3.909 -11.241 10.310 1.00 0.00 O ATOM 780 CB ASN A 57 4.865 -9.708 12.495 1.00 0.00 C ATOM 781 CG ASN A 57 5.463 -10.675 13.499 1.00 0.00 C ATOM 782 OD1 ASN A 57 6.650 -10.994 13.439 1.00 0.00 O ATOM 783 ND2 ASN A 57 4.640 -11.146 14.429 1.00 0.00 N ATOM 0 H ASN A 57 4.592 -8.454 9.830 1.00 0.00 H new ATOM 0 HA ASN A 57 6.663 -9.869 11.328 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.900 -8.698 12.903 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.814 -9.953 12.340 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.985 -11.800 15.132 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.663 -10.854 14.441 1.00 0.00 H new ATOM 790 N PRO A 58 6.019 -11.553 9.585 1.00 0.00 N ATOM 791 CA PRO A 58 7.433 -11.168 9.581 1.00 0.00 C ATOM 792 C PRO A 58 7.668 -9.834 8.879 1.00 0.00 C ATOM 793 O PRO A 58 6.786 -9.291 8.214 1.00 0.00 O ATOM 794 CB PRO A 58 8.109 -12.304 8.809 1.00 0.00 C ATOM 795 CG PRO A 58 7.036 -12.860 7.938 1.00 0.00 C ATOM 796 CD PRO A 58 5.755 -12.708 8.710 1.00 0.00 C ATOM 0 HA PRO A 58 7.821 -11.031 10.591 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.948 -11.937 8.218 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.503 -13.063 9.485 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.986 -12.324 6.990 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.228 -13.907 7.703 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.907 -12.526 8.050 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.524 -13.604 9.286 1.00 0.00 H new ATOM 804 N PRO A 59 8.886 -9.292 9.028 1.00 0.00 N ATOM 805 CA PRO A 59 9.265 -8.016 8.415 1.00 0.00 C ATOM 806 C PRO A 59 9.388 -8.115 6.898 1.00 0.00 C ATOM 807 O PRO A 59 9.102 -9.159 6.309 1.00 0.00 O ATOM 808 CB PRO A 59 10.628 -7.712 9.043 1.00 0.00 C ATOM 809 CG PRO A 59 11.174 -9.044 9.426 1.00 0.00 C ATOM 810 CD PRO A 59 9.987 -9.884 9.807 1.00 0.00 C ATOM 0 HA PRO A 59 8.517 -7.242 8.589 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.284 -7.203 8.337 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.527 -7.061 9.911 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.721 -9.494 8.598 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.872 -8.955 10.258 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.139 -10.933 9.554 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.791 -9.840 10.878 1.00 0.00 H new ATOM 818 N LEU A 60 9.815 -7.025 6.271 1.00 0.00 N ATOM 819 CA LEU A 60 9.976 -6.989 4.822 1.00 0.00 C ATOM 820 C LEU A 60 11.314 -6.365 4.438 1.00 0.00 C ATOM 821 O LEU A 60 11.588 -5.211 4.765 1.00 0.00 O ATOM 822 CB LEU A 60 8.831 -6.203 4.181 1.00 0.00 C ATOM 823 CG LEU A 60 7.746 -7.035 3.496 1.00 0.00 C ATOM 824 CD1 LEU A 60 6.610 -6.143 3.020 1.00 0.00 C ATOM 825 CD2 LEU A 60 8.332 -7.822 2.334 1.00 0.00 C ATOM 0 H LEU A 60 10.056 -6.154 6.744 1.00 0.00 H new ATOM 0 HA LEU A 60 9.955 -8.015 4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.360 -5.592 4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.254 -5.518 3.446 1.00 0.00 H new ATOM 0 HG LEU A 60 7.345 -7.742 4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.847 -6.753 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.172 -5.625 3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.995 -5.411 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.546 -8.408 1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.761 -7.132 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.110 -8.490 2.703 1.00 0.00 H new ATOM 837 N ASP A 61 12.142 -7.136 3.741 1.00 0.00 N ATOM 838 CA ASP A 61 13.450 -6.658 3.310 1.00 0.00 C ATOM 839 C ASP A 61 13.323 -5.349 2.538 1.00 0.00 C ATOM 840 O ASP A 61 14.241 -4.529 2.528 1.00 0.00 O ATOM 841 CB ASP A 61 14.140 -7.712 2.441 1.00 0.00 C ATOM 842 CG ASP A 61 15.650 -7.675 2.577 1.00 0.00 C ATOM 843 OD1 ASP A 61 16.141 -7.598 3.722 1.00 0.00 O ATOM 844 OD2 ASP A 61 16.341 -7.722 1.537 1.00 0.00 O ATOM 0 H ASP A 61 11.930 -8.094 3.463 1.00 0.00 H new ATOM 0 HA ASP A 61 14.055 -6.477 4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.777 -8.702 2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.868 -7.553 1.397 1.00 0.00 H new ATOM 849 N LYS A 62 12.178 -5.159 1.890 1.00 0.00 N ATOM 850 CA LYS A 62 11.929 -3.949 1.114 1.00 0.00 C ATOM 851 C LYS A 62 10.446 -3.810 0.785 1.00 0.00 C ATOM 852 O LYS A 62 9.615 -4.567 1.286 1.00 0.00 O ATOM 853 CB LYS A 62 12.749 -3.969 -0.178 1.00 0.00 C ATOM 854 CG LYS A 62 12.381 -5.107 -1.115 1.00 0.00 C ATOM 855 CD LYS A 62 11.981 -4.591 -2.487 1.00 0.00 C ATOM 856 CE LYS A 62 13.148 -4.638 -3.462 1.00 0.00 C ATOM 857 NZ LYS A 62 12.951 -5.674 -4.513 1.00 0.00 N ATOM 0 H LYS A 62 11.408 -5.828 1.887 1.00 0.00 H new ATOM 0 HA LYS A 62 12.232 -3.092 1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.613 -3.022 -0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.807 -4.045 0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.227 -5.787 -1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.559 -5.681 -0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.157 -5.189 -2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.619 -3.567 -2.400 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.268 -3.662 -3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.069 -4.844 -2.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.767 -5.674 -5.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.862 -6.609 -4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.086 -5.463 -5.050 1.00 0.00 H new ATOM 871 N VAL A 63 10.121 -2.837 -0.060 1.00 0.00 N ATOM 872 CA VAL A 63 8.739 -2.600 -0.458 1.00 0.00 C ATOM 873 C VAL A 63 8.308 -3.569 -1.554 1.00 0.00 C ATOM 874 O VAL A 63 9.024 -3.800 -2.529 1.00 0.00 O ATOM 875 CB VAL A 63 8.537 -1.156 -0.956 1.00 0.00 C ATOM 876 CG1 VAL A 63 7.086 -0.924 -1.346 1.00 0.00 C ATOM 877 CG2 VAL A 63 8.979 -0.161 0.106 1.00 0.00 C ATOM 0 H VAL A 63 10.796 -2.200 -0.482 1.00 0.00 H new ATOM 0 HA VAL A 63 8.124 -2.760 0.427 1.00 0.00 H new ATOM 0 HB VAL A 63 9.154 -1.005 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.963 0.101 -1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.808 -1.615 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.445 -1.092 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.830 0.854 -0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.390 -0.309 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.035 -0.314 0.331 1.00 0.00 H new ATOM 887 N PRO A 64 7.110 -4.150 -1.393 1.00 0.00 N ATOM 888 CA PRO A 64 6.556 -5.102 -2.360 1.00 0.00 C ATOM 889 C PRO A 64 6.165 -4.434 -3.673 1.00 0.00 C ATOM 890 O PRO A 64 6.376 -3.236 -3.857 1.00 0.00 O ATOM 891 CB PRO A 64 5.316 -5.649 -1.648 1.00 0.00 C ATOM 892 CG PRO A 64 4.923 -4.575 -0.694 1.00 0.00 C ATOM 893 CD PRO A 64 6.204 -3.921 -0.256 1.00 0.00 C ATOM 0 HA PRO A 64 7.279 -5.869 -2.637 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.515 -5.863 -2.356 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.537 -6.580 -1.127 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.260 -3.853 -1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.384 -4.988 0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.066 -2.858 -0.060 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.590 -4.367 0.661 1.00 0.00 H new ATOM 901 N GLU A 65 5.595 -5.217 -4.584 1.00 0.00 N ATOM 902 CA GLU A 65 5.175 -4.699 -5.881 1.00 0.00 C ATOM 903 C GLU A 65 4.165 -5.635 -6.539 1.00 0.00 C ATOM 904 O GLU A 65 4.042 -5.668 -7.763 1.00 0.00 O ATOM 905 CB GLU A 65 6.386 -4.512 -6.796 1.00 0.00 C ATOM 906 CG GLU A 65 6.113 -3.615 -7.992 1.00 0.00 C ATOM 907 CD GLU A 65 6.131 -4.371 -9.306 1.00 0.00 C ATOM 908 OE1 GLU A 65 7.146 -5.041 -9.591 1.00 0.00 O ATOM 909 OE2 GLU A 65 5.130 -4.294 -10.048 1.00 0.00 O ATOM 0 H GLU A 65 5.414 -6.211 -4.448 1.00 0.00 H new ATOM 0 HA GLU A 65 4.697 -3.732 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.207 -4.090 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.716 -5.488 -7.152 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.142 -3.135 -7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.859 -2.821 -8.024 1.00 0.00 H new ATOM 916 N GLU A 66 3.447 -6.394 -5.718 1.00 0.00 N ATOM 917 CA GLU A 66 2.450 -7.332 -6.220 1.00 0.00 C ATOM 918 C GLU A 66 1.132 -6.620 -6.511 1.00 0.00 C ATOM 919 O GLU A 66 1.062 -5.392 -6.496 1.00 0.00 O ATOM 920 CB GLU A 66 2.222 -8.459 -5.211 1.00 0.00 C ATOM 921 CG GLU A 66 3.508 -9.073 -4.684 1.00 0.00 C ATOM 922 CD GLU A 66 3.433 -10.584 -4.580 1.00 0.00 C ATOM 923 OE1 GLU A 66 2.372 -11.099 -4.169 1.00 0.00 O ATOM 924 OE2 GLU A 66 4.435 -11.252 -4.911 1.00 0.00 O ATOM 0 H GLU A 66 3.537 -6.378 -4.702 1.00 0.00 H new ATOM 0 HA GLU A 66 2.826 -7.759 -7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.643 -8.073 -4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.622 -9.239 -5.680 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.333 -8.798 -5.341 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.730 -8.655 -3.702 1.00 0.00 H new ATOM 931 N GLU A 67 0.090 -7.402 -6.775 1.00 0.00 N ATOM 932 CA GLU A 67 -1.226 -6.846 -7.070 1.00 0.00 C ATOM 933 C GLU A 67 -1.652 -5.854 -5.992 1.00 0.00 C ATOM 934 O GLU A 67 -1.999 -4.710 -6.288 1.00 0.00 O ATOM 935 CB GLU A 67 -2.262 -7.966 -7.187 1.00 0.00 C ATOM 936 CG GLU A 67 -2.246 -8.673 -8.532 1.00 0.00 C ATOM 937 CD GLU A 67 -3.622 -9.147 -8.958 1.00 0.00 C ATOM 938 OE1 GLU A 67 -4.334 -9.733 -8.116 1.00 0.00 O ATOM 939 OE2 GLU A 67 -3.986 -8.934 -10.133 1.00 0.00 O ATOM 0 H GLU A 67 0.131 -8.421 -6.791 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.164 -6.317 -8.021 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.084 -8.698 -6.399 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.255 -7.550 -7.017 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.848 -7.997 -9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.571 -9.527 -8.481 1.00 0.00 H new ATOM 946 N TYR A 68 -1.624 -6.301 -4.741 1.00 0.00 N ATOM 947 CA TYR A 68 -2.010 -5.455 -3.619 1.00 0.00 C ATOM 948 C TYR A 68 -1.293 -5.883 -2.342 1.00 0.00 C ATOM 949 O TYR A 68 -0.707 -6.964 -2.279 1.00 0.00 O ATOM 950 CB TYR A 68 -3.524 -5.508 -3.409 1.00 0.00 C ATOM 951 CG TYR A 68 -4.262 -4.341 -4.024 1.00 0.00 C ATOM 952 CD1 TYR A 68 -4.184 -3.071 -3.465 1.00 0.00 C ATOM 953 CD2 TYR A 68 -5.037 -4.507 -5.166 1.00 0.00 C ATOM 954 CE1 TYR A 68 -4.857 -2.002 -4.023 1.00 0.00 C ATOM 955 CE2 TYR A 68 -5.713 -3.443 -5.732 1.00 0.00 C ATOM 956 CZ TYR A 68 -5.620 -2.193 -5.157 1.00 0.00 C ATOM 957 OH TYR A 68 -6.291 -1.130 -5.717 1.00 0.00 O ATOM 0 H TYR A 68 -1.338 -7.244 -4.479 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.718 -4.431 -3.853 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.909 -6.435 -3.834 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.733 -5.536 -2.340 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.587 -2.917 -2.579 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.112 -5.485 -5.619 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -4.787 -1.022 -3.575 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.311 -3.589 -6.620 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.780 -1.433 -6.510 1.00 0.00 H new ATOM 967 N TRP A 69 -1.345 -5.028 -1.327 1.00 0.00 N ATOM 968 CA TRP A 69 -0.701 -5.317 -0.050 1.00 0.00 C ATOM 969 C TRP A 69 -1.698 -5.209 1.098 1.00 0.00 C ATOM 970 O TRP A 69 -2.318 -4.164 1.298 1.00 0.00 O ATOM 971 CB TRP A 69 0.470 -4.361 0.182 1.00 0.00 C ATOM 972 CG TRP A 69 1.186 -4.603 1.476 1.00 0.00 C ATOM 973 CD1 TRP A 69 2.294 -5.379 1.666 1.00 0.00 C ATOM 974 CD2 TRP A 69 0.844 -4.067 2.758 1.00 0.00 C ATOM 975 NE1 TRP A 69 2.660 -5.358 2.991 1.00 0.00 N ATOM 976 CE2 TRP A 69 1.787 -4.559 3.681 1.00 0.00 C ATOM 977 CE3 TRP A 69 -0.166 -3.217 3.217 1.00 0.00 C ATOM 978 CZ2 TRP A 69 1.748 -4.230 5.033 1.00 0.00 C ATOM 979 CZ3 TRP A 69 -0.205 -2.892 4.559 1.00 0.00 C ATOM 980 CH2 TRP A 69 0.748 -3.397 5.455 1.00 0.00 C ATOM 0 H TRP A 69 -1.826 -4.129 -1.363 1.00 0.00 H new ATOM 0 HA TRP A 69 -0.324 -6.339 -0.084 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.178 -4.459 -0.641 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.101 -3.335 0.165 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.807 -5.928 0.890 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.453 -5.857 3.395 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -0.903 -2.821 2.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.481 -4.619 5.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.983 -2.238 4.924 1.00 0.00 H new ATOM 0 HH2 TRP A 69 0.692 -3.123 6.498 1.00 0.00 H new ATOM 991 N TYR A 70 -1.847 -6.293 1.850 1.00 0.00 N ATOM 992 CA TYR A 70 -2.771 -6.320 2.978 1.00 0.00 C ATOM 993 C TYR A 70 -2.020 -6.503 4.293 1.00 0.00 C ATOM 994 O TYR A 70 -1.240 -7.443 4.451 1.00 0.00 O ATOM 995 CB TYR A 70 -3.793 -7.444 2.801 1.00 0.00 C ATOM 996 CG TYR A 70 -4.816 -7.168 1.723 1.00 0.00 C ATOM 997 CD1 TYR A 70 -4.535 -7.429 0.388 1.00 0.00 C ATOM 998 CD2 TYR A 70 -6.064 -6.645 2.039 1.00 0.00 C ATOM 999 CE1 TYR A 70 -5.467 -7.177 -0.601 1.00 0.00 C ATOM 1000 CE2 TYR A 70 -7.002 -6.392 1.058 1.00 0.00 C ATOM 1001 CZ TYR A 70 -6.699 -6.659 -0.261 1.00 0.00 C ATOM 1002 OH TYR A 70 -7.630 -6.407 -1.242 1.00 0.00 O ATOM 0 H TYR A 70 -1.340 -7.165 1.699 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.294 -5.364 3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.266 -8.368 2.562 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -4.309 -7.606 3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.572 -7.836 0.118 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.304 -6.433 3.070 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -5.232 -7.385 -1.634 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.968 -5.987 1.322 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.445 -6.045 -0.835 1.00 0.00 H new ATOM 1012 N CYS A 71 -2.260 -5.598 5.236 1.00 0.00 N ATOM 1013 CA CYS A 71 -1.608 -5.657 6.538 1.00 0.00 C ATOM 1014 C CYS A 71 -1.768 -7.039 7.164 1.00 0.00 C ATOM 1015 O CYS A 71 -2.702 -7.781 6.861 1.00 0.00 O ATOM 1016 CB CYS A 71 -2.188 -4.592 7.471 1.00 0.00 C ATOM 1017 SG CYS A 71 -3.836 -5.002 8.133 1.00 0.00 S ATOM 0 H CYS A 71 -2.902 -4.814 5.122 1.00 0.00 H new ATOM 0 HA CYS A 71 -0.545 -5.464 6.393 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -1.501 -4.440 8.304 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.249 -3.646 6.932 1.00 0.00 H new ATOM 1022 N PRO A 72 -0.834 -7.395 8.059 1.00 0.00 N ATOM 1023 CA PRO A 72 -0.849 -8.689 8.747 1.00 0.00 C ATOM 1024 C PRO A 72 -1.993 -8.799 9.750 1.00 0.00 C ATOM 1025 O PRO A 72 -2.258 -9.874 10.289 1.00 0.00 O ATOM 1026 CB PRO A 72 0.500 -8.723 9.469 1.00 0.00 C ATOM 1027 CG PRO A 72 0.864 -7.291 9.659 1.00 0.00 C ATOM 1028 CD PRO A 72 0.308 -6.561 8.468 1.00 0.00 C ATOM 0 HA PRO A 72 -0.998 -9.517 8.054 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.425 -9.242 10.424 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.252 -9.248 8.879 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.444 -6.901 10.586 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.945 -7.168 9.722 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.005 -5.550 8.727 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.046 -6.472 7.671 1.00 0.00 H new ATOM 1036 N SER A 73 -2.668 -7.681 9.996 1.00 0.00 N ATOM 1037 CA SER A 73 -3.781 -7.651 10.937 1.00 0.00 C ATOM 1038 C SER A 73 -5.090 -8.011 10.242 1.00 0.00 C ATOM 1039 O SER A 73 -6.085 -8.333 10.892 1.00 0.00 O ATOM 1040 CB SER A 73 -3.896 -6.268 11.580 1.00 0.00 C ATOM 1041 OG SER A 73 -4.451 -6.354 12.881 1.00 0.00 O ATOM 0 H SER A 73 -2.463 -6.784 9.556 1.00 0.00 H new ATOM 0 HA SER A 73 -3.587 -8.390 11.714 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.911 -5.805 11.632 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.518 -5.625 10.958 1.00 0.00 H new ATOM 0 HG SER A 73 -4.512 -5.457 13.270 1.00 0.00 H new ATOM 1047 N CYS A 74 -5.082 -7.955 8.914 1.00 0.00 N ATOM 1048 CA CYS A 74 -6.268 -8.274 8.128 1.00 0.00 C ATOM 1049 C CYS A 74 -6.143 -9.656 7.492 1.00 0.00 C ATOM 1050 O CYS A 74 -7.041 -10.490 7.610 1.00 0.00 O ATOM 1051 CB CYS A 74 -6.484 -7.219 7.041 1.00 0.00 C ATOM 1052 SG CYS A 74 -7.363 -5.731 7.614 1.00 0.00 S ATOM 0 H CYS A 74 -4.267 -7.692 8.360 1.00 0.00 H new ATOM 0 HA CYS A 74 -7.128 -8.277 8.798 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -5.515 -6.923 6.639 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.046 -7.667 6.221 1.00 0.00 H new ATOM 1057 N LYS A 75 -5.022 -9.893 6.819 1.00 0.00 N ATOM 1058 CA LYS A 75 -4.777 -11.173 6.166 1.00 0.00 C ATOM 1059 C LYS A 75 -4.995 -12.329 7.136 1.00 0.00 C ATOM 1060 O LYS A 75 -4.219 -12.523 8.072 1.00 0.00 O ATOM 1061 CB LYS A 75 -3.352 -11.221 5.610 1.00 0.00 C ATOM 1062 CG LYS A 75 -2.941 -12.594 5.107 1.00 0.00 C ATOM 1063 CD LYS A 75 -1.569 -12.561 4.455 1.00 0.00 C ATOM 1064 CE LYS A 75 -1.553 -13.343 3.151 1.00 0.00 C ATOM 1065 NZ LYS A 75 -0.213 -13.929 2.872 1.00 0.00 N ATOM 0 H LYS A 75 -4.268 -9.214 6.712 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.485 -11.274 5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.265 -10.503 4.794 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.657 -10.905 6.388 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.933 -13.300 5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.677 -12.955 4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.280 -11.527 4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.830 -12.977 5.139 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.295 -14.140 3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.840 -12.686 2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.244 -14.454 1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.492 -13.167 2.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.050 -14.576 3.643 1.00 0.00 H new ATOM 1079 N THR A 76 -6.056 -13.097 6.906 1.00 0.00 N ATOM 1080 CA THR A 76 -6.376 -14.234 7.760 1.00 0.00 C ATOM 1081 C THR A 76 -5.638 -15.488 7.304 1.00 0.00 C ATOM 1082 O THR A 76 -5.390 -16.396 8.097 1.00 0.00 O ATOM 1083 CB THR A 76 -7.890 -14.520 7.772 1.00 0.00 C ATOM 1084 OG1 THR A 76 -8.164 -15.675 8.572 1.00 0.00 O ATOM 1085 CG2 THR A 76 -8.410 -14.739 6.359 1.00 0.00 C ATOM 0 H THR A 76 -6.708 -12.952 6.135 1.00 0.00 H new ATOM 0 HA THR A 76 -6.055 -13.972 8.768 1.00 0.00 H new ATOM 0 HB THR A 76 -8.398 -13.655 8.199 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.128 -15.849 8.576 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.481 -14.939 6.392 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.226 -13.846 5.761 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.896 -15.589 5.910 1.00 0.00 H new ATOM 1093 N ASP A 77 -5.289 -15.531 6.023 1.00 0.00 N ATOM 1094 CA ASP A 77 -4.577 -16.673 5.463 1.00 0.00 C ATOM 1095 C ASP A 77 -5.383 -17.956 5.640 1.00 0.00 C ATOM 1096 O ASP A 77 -5.250 -18.868 4.825 1.00 0.00 O ATOM 1097 CB ASP A 77 -3.206 -16.822 6.124 1.00 0.00 C ATOM 1098 CG ASP A 77 -2.195 -17.497 5.218 1.00 0.00 C ATOM 1099 OD1 ASP A 77 -2.594 -18.400 4.453 1.00 0.00 O ATOM 1100 OD2 ASP A 77 -1.006 -17.121 5.273 1.00 0.00 O ATOM 0 H ASP A 77 -5.488 -14.788 5.353 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.439 -16.496 4.396 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.834 -15.838 6.408 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.310 -17.401 7.042 1.00 0.00 H new TER 1105 ASP A 77 HETATM 1106 ZN ZN A 201 7.506 1.422 11.939 1.00 0.00 ZN HETATM 1107 ZN ZN A 401 -5.683 -4.113 7.233 1.00 0.00 ZN HETATM 1108 ZN ZN A 601 -4.716 9.920 12.221 1.00 0.00 ZN