USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 13 HIS : no HD1:sc= 0.125 X(o=-1.2,f=-1.7) USER MOD Set 1.3: A 18 THR OG1 : rot 65:sc= 0.176 USER MOD Set 1.4: A 67 MET CE :methyl -168:sc= -1.52 (180deg=-1.68) USER MOD Set 2.1: A 34 HIS : no HE2:sc= -0.354 X(o=-0.09,f=-0.16) USER MOD Set 2.2: A 36 TYR OH : rot 57:sc= 0.264 USER MOD Set 3.1: A 14 TYR OH : rot 180:sc=-0.00163 USER MOD Set 3.2: A 23 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0734) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0.253 (180deg=0.253) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -19:sc= 0.253 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.77 K(o=-0.77,f=0.0084) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.68! K(o=-2.7!,f=-0.65) USER MOD Single : A 59 TYR OH : rot 117:sc= 0.146 USER MOD Single : A 61 LYS NZ :NH3+ -126:sc= -0.564 (180deg=-1.66) USER MOD Single : A 62 CYS SG : rot 101:sc= 0.515 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 68 ASN : amide:sc= -0.0836 K(o=-0.084,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 9.661 7.385 4.388 1.00 0.00 N ATOM 2 CA LEU A 1 10.548 6.404 3.755 1.00 0.00 C ATOM 3 C LEU A 1 9.768 5.360 2.973 1.00 0.00 C ATOM 4 O LEU A 1 10.258 4.875 1.955 1.00 0.00 O ATOM 5 CB LEU A 1 11.540 5.841 4.803 1.00 0.00 C ATOM 6 CG LEU A 1 12.774 5.085 4.255 1.00 0.00 C ATOM 7 CD1 LEU A 1 13.700 6.006 3.438 1.00 0.00 C ATOM 8 CD2 LEU A 1 13.546 4.387 5.390 1.00 0.00 C ATOM 0 H1 LEU A 1 10.230 8.080 4.912 1.00 0.00 H new ATOM 0 H2 LEU A 1 9.105 7.873 3.657 1.00 0.00 H new ATOM 0 H3 LEU A 1 9.018 6.899 5.045 1.00 0.00 H new ATOM 0 HA LEU A 1 11.159 6.892 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.893 6.670 5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.993 5.167 5.462 1.00 0.00 H new ATOM 0 HG LEU A 1 12.404 4.317 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 1 14.553 5.433 3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 1 13.150 6.417 2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 1 14.054 6.820 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 1 14.408 3.864 4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 1 13.885 5.131 6.111 1.00 0.00 H new ATOM 0 HD23 LEU A 1 12.892 3.671 5.888 1.00 0.00 H new ATOM 22 N CYS A 2 8.489 5.046 3.384 1.00 0.00 N ATOM 23 CA CYS A 2 7.471 4.194 2.765 1.00 0.00 C ATOM 24 C CYS A 2 7.181 4.907 1.484 1.00 0.00 C ATOM 25 O CYS A 2 7.044 6.126 1.500 1.00 0.00 O ATOM 26 CB CYS A 2 6.188 3.998 3.642 1.00 0.00 C ATOM 27 SG CYS A 2 4.841 3.042 2.859 1.00 0.00 S ATOM 0 H CYS A 2 8.134 5.440 4.255 1.00 0.00 H new ATOM 0 HA CYS A 2 7.820 3.170 2.628 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.474 3.499 4.568 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.802 4.980 3.916 1.00 0.00 H new ATOM 32 N LEU A 3 7.100 4.182 0.348 1.00 0.00 N ATOM 33 CA LEU A 3 6.938 4.822 -0.932 1.00 0.00 C ATOM 34 C LEU A 3 5.540 4.691 -1.450 1.00 0.00 C ATOM 35 O LEU A 3 5.262 4.831 -2.641 1.00 0.00 O ATOM 36 CB LEU A 3 7.886 4.215 -1.967 1.00 0.00 C ATOM 37 CG LEU A 3 9.371 4.533 -1.696 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.293 3.686 -2.588 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.695 6.034 -1.837 1.00 0.00 C ATOM 0 H LEU A 3 7.146 3.164 0.312 1.00 0.00 H new ATOM 0 HA LEU A 3 7.167 5.877 -0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.750 3.134 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.617 4.585 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 3 9.559 4.267 -0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.333 3.932 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.122 2.628 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.079 3.896 -3.636 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.753 6.198 -1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.464 6.363 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.097 6.604 -1.125 1.00 0.00 H new ATOM 51 N VAL A 4 4.632 4.422 -0.511 1.00 0.00 N ATOM 52 CA VAL A 4 3.235 4.206 -0.748 1.00 0.00 C ATOM 53 C VAL A 4 2.466 5.249 -0.024 1.00 0.00 C ATOM 54 O VAL A 4 1.821 6.086 -0.647 1.00 0.00 O ATOM 55 CB VAL A 4 2.776 2.791 -0.313 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.315 2.492 -0.685 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.772 1.730 -0.800 1.00 0.00 C ATOM 0 H VAL A 4 4.879 4.349 0.476 1.00 0.00 H new ATOM 0 HA VAL A 4 3.051 4.274 -1.820 1.00 0.00 H new ATOM 0 HB VAL A 4 2.783 2.756 0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.054 1.487 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.660 3.216 -0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.193 2.561 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.434 0.742 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.836 1.763 -1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.755 1.930 -0.373 1.00 0.00 H new ATOM 67 N CYS A 5 2.489 5.182 1.321 1.00 0.00 N ATOM 68 CA CYS A 5 1.721 6.069 2.156 1.00 0.00 C ATOM 69 C CYS A 5 2.651 7.042 2.806 1.00 0.00 C ATOM 70 O CYS A 5 2.296 7.661 3.804 1.00 0.00 O ATOM 71 CB CYS A 5 0.807 5.337 3.181 1.00 0.00 C ATOM 72 SG CYS A 5 1.602 4.342 4.507 1.00 0.00 S ATOM 0 H CYS A 5 3.047 4.504 1.840 1.00 0.00 H new ATOM 0 HA CYS A 5 1.018 6.608 1.520 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.179 6.087 3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.144 4.676 2.622 1.00 0.00 H new ATOM 77 N SER A 6 3.867 7.198 2.217 1.00 0.00 N ATOM 78 CA SER A 6 4.862 8.231 2.524 1.00 0.00 C ATOM 79 C SER A 6 5.108 8.503 3.993 1.00 0.00 C ATOM 80 O SER A 6 5.124 9.641 4.459 1.00 0.00 O ATOM 81 CB SER A 6 4.591 9.522 1.723 1.00 0.00 C ATOM 82 OG SER A 6 4.001 9.249 0.455 1.00 0.00 O ATOM 0 H SER A 6 4.184 6.569 1.480 1.00 0.00 H new ATOM 0 HA SER A 6 5.809 7.804 2.193 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.932 10.173 2.297 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.527 10.062 1.579 1.00 0.00 H new ATOM 0 HG SER A 6 3.843 10.091 -0.021 1.00 0.00 H new ATOM 88 N ASP A 7 5.273 7.389 4.731 1.00 0.00 N ATOM 89 CA ASP A 7 5.359 7.333 6.176 1.00 0.00 C ATOM 90 C ASP A 7 6.698 6.727 6.460 1.00 0.00 C ATOM 91 O ASP A 7 7.224 6.031 5.608 1.00 0.00 O ATOM 92 CB ASP A 7 4.212 6.403 6.674 1.00 0.00 C ATOM 93 CG ASP A 7 4.072 6.269 8.200 1.00 0.00 C ATOM 94 OD1 ASP A 7 3.819 7.307 8.868 1.00 0.00 O ATOM 95 OD2 ASP A 7 4.220 5.126 8.708 1.00 0.00 O ATOM 0 H ASP A 7 5.352 6.467 4.301 1.00 0.00 H new ATOM 0 HA ASP A 7 5.259 8.301 6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.269 6.775 6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.368 5.409 6.254 1.00 0.00 H new ATOM 100 N GLU A 8 7.276 6.927 7.676 1.00 0.00 N ATOM 101 CA GLU A 8 8.568 6.377 8.074 1.00 0.00 C ATOM 102 C GLU A 8 8.569 4.861 8.053 1.00 0.00 C ATOM 103 O GLU A 8 7.924 4.208 8.873 1.00 0.00 O ATOM 104 CB GLU A 8 9.144 6.939 9.401 1.00 0.00 C ATOM 105 CG GLU A 8 8.717 8.382 9.771 1.00 0.00 C ATOM 106 CD GLU A 8 9.313 9.417 8.808 1.00 0.00 C ATOM 107 OE1 GLU A 8 10.566 9.540 8.765 1.00 0.00 O ATOM 108 OE2 GLU A 8 8.519 10.098 8.104 1.00 0.00 O ATOM 0 H GLU A 8 6.837 7.486 8.407 1.00 0.00 H new ATOM 0 HA GLU A 8 9.260 6.728 7.308 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.848 6.274 10.213 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.232 6.907 9.344 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.630 8.455 9.755 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.037 8.606 10.789 1.00 0.00 H new ATOM 115 N ALA A 9 9.295 4.300 7.051 1.00 0.00 N ATOM 116 CA ALA A 9 9.379 2.893 6.739 1.00 0.00 C ATOM 117 C ALA A 9 10.401 2.197 7.582 1.00 0.00 C ATOM 118 O ALA A 9 11.202 2.827 8.271 1.00 0.00 O ATOM 119 CB ALA A 9 9.699 2.626 5.249 1.00 0.00 C ATOM 0 H ALA A 9 9.859 4.868 6.419 1.00 0.00 H new ATOM 0 HA ALA A 9 8.389 2.492 6.958 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.750 1.551 5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.916 3.058 4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.657 3.080 4.996 1.00 0.00 H new ATOM 125 N SER A 10 10.357 0.841 7.521 1.00 0.00 N ATOM 126 CA SER A 10 11.214 -0.047 8.263 1.00 0.00 C ATOM 127 C SER A 10 11.933 -0.957 7.291 1.00 0.00 C ATOM 128 O SER A 10 12.102 -2.150 7.544 1.00 0.00 O ATOM 129 CB SER A 10 10.449 -0.821 9.368 1.00 0.00 C ATOM 130 OG SER A 10 9.250 -1.416 8.884 1.00 0.00 O ATOM 0 H SER A 10 9.693 0.345 6.927 1.00 0.00 H new ATOM 0 HA SER A 10 11.958 0.540 8.803 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.096 -1.596 9.779 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.209 -0.140 10.185 1.00 0.00 H new ATOM 0 HG SER A 10 8.804 -1.893 9.614 1.00 0.00 H new ATOM 136 N GLY A 11 12.391 -0.382 6.147 1.00 0.00 N ATOM 137 CA GLY A 11 13.154 -1.068 5.122 1.00 0.00 C ATOM 138 C GLY A 11 12.242 -1.496 4.017 1.00 0.00 C ATOM 139 O GLY A 11 11.159 -0.944 3.850 1.00 0.00 O ATOM 0 H GLY A 11 12.224 0.600 5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.930 -0.410 4.732 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.656 -1.936 5.549 1.00 0.00 H new ATOM 143 N CYS A 12 12.676 -2.511 3.224 1.00 0.00 N ATOM 144 CA CYS A 12 11.912 -3.090 2.131 1.00 0.00 C ATOM 145 C CYS A 12 11.256 -4.295 2.737 1.00 0.00 C ATOM 146 O CYS A 12 11.818 -4.886 3.660 1.00 0.00 O ATOM 147 CB CYS A 12 12.776 -3.538 0.929 1.00 0.00 C ATOM 148 SG CYS A 12 13.620 -2.111 0.165 1.00 0.00 S ATOM 0 H CYS A 12 13.590 -2.946 3.345 1.00 0.00 H new ATOM 0 HA CYS A 12 11.222 -2.349 1.727 1.00 0.00 H new ATOM 0 HB2 CYS A 12 13.515 -4.268 1.259 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.147 -4.033 0.189 1.00 0.00 H new ATOM 0 HG CYS A 12 14.339 -2.518 -0.839 1.00 0.00 H new ATOM 154 N HIS A 13 10.046 -4.681 2.251 1.00 0.00 N ATOM 155 CA HIS A 13 9.325 -5.780 2.870 1.00 0.00 C ATOM 156 C HIS A 13 8.942 -6.803 1.857 1.00 0.00 C ATOM 157 O HIS A 13 8.723 -7.961 2.211 1.00 0.00 O ATOM 158 CB HIS A 13 8.087 -5.314 3.654 1.00 0.00 C ATOM 159 CG HIS A 13 8.467 -4.484 4.851 1.00 0.00 C ATOM 160 ND1 HIS A 13 8.644 -3.116 4.746 1.00 0.00 N ATOM 161 CD2 HIS A 13 8.759 -4.903 6.111 1.00 0.00 C ATOM 162 CE1 HIS A 13 9.033 -2.735 5.947 1.00 0.00 C ATOM 163 NE2 HIS A 13 9.120 -3.776 6.811 1.00 0.00 N ATOM 0 H HIS A 13 9.576 -4.250 1.455 1.00 0.00 H new ATOM 0 HA HIS A 13 10.008 -6.230 3.590 1.00 0.00 H new ATOM 0 HB2 HIS A 13 7.439 -4.732 2.999 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.514 -6.182 3.980 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.716 -5.915 6.486 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.256 -1.712 6.212 1.00 0.00 H new ATOM 0 HE2 HIS A 13 9.399 -3.732 7.791 1.00 0.00 H new ATOM 171 N TYR A 14 8.861 -6.401 0.571 1.00 0.00 N ATOM 172 CA TYR A 14 8.527 -7.271 -0.521 1.00 0.00 C ATOM 173 C TYR A 14 9.440 -6.767 -1.588 1.00 0.00 C ATOM 174 O TYR A 14 10.648 -6.991 -1.497 1.00 0.00 O ATOM 175 CB TYR A 14 6.999 -7.319 -0.829 1.00 0.00 C ATOM 176 CG TYR A 14 6.305 -8.256 0.162 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.767 -9.572 0.386 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.239 -7.812 0.957 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.324 -10.334 1.471 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.789 -8.566 2.045 1.00 0.00 C ATOM 181 CZ TYR A 14 5.358 -9.810 2.332 1.00 0.00 C ATOM 182 OH TYR A 14 4.949 -10.536 3.470 1.00 0.00 O ATOM 0 H TYR A 14 9.034 -5.438 0.282 1.00 0.00 H new ATOM 0 HA TYR A 14 8.685 -8.335 -0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.572 -6.319 -0.759 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.834 -7.665 -1.849 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.482 -10.001 -0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.758 -6.873 0.725 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.726 -11.322 1.642 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.995 -8.184 2.669 1.00 0.00 H new ATOM 0 HH TYR A 14 4.271 -10.024 3.958 1.00 0.00 H new ATOM 192 N GLY A 15 8.919 -6.063 -2.610 1.00 0.00 N ATOM 193 CA GLY A 15 9.726 -5.565 -3.704 1.00 0.00 C ATOM 194 C GLY A 15 10.099 -4.119 -3.558 1.00 0.00 C ATOM 195 O GLY A 15 10.904 -3.628 -4.350 1.00 0.00 O ATOM 0 H GLY A 15 7.929 -5.832 -2.687 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.635 -6.162 -3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.181 -5.700 -4.638 1.00 0.00 H new ATOM 199 N VAL A 16 9.543 -3.394 -2.548 1.00 0.00 N ATOM 200 CA VAL A 16 9.706 -1.953 -2.456 1.00 0.00 C ATOM 201 C VAL A 16 9.932 -1.611 -1.020 1.00 0.00 C ATOM 202 O VAL A 16 9.549 -2.347 -0.113 1.00 0.00 O ATOM 203 CB VAL A 16 8.457 -1.181 -2.989 1.00 0.00 C ATOM 204 CG1 VAL A 16 8.539 0.349 -3.084 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.009 -1.690 -4.362 1.00 0.00 C ATOM 0 H VAL A 16 8.984 -3.801 -1.799 1.00 0.00 H new ATOM 0 HA VAL A 16 10.552 -1.654 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 16 7.739 -1.399 -2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.598 0.741 -3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.727 0.765 -2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.351 0.629 -3.755 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.138 -1.125 -4.693 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.819 -1.562 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.751 -2.747 -4.292 1.00 0.00 H new ATOM 215 N LEU A 17 10.483 -0.387 -0.841 1.00 0.00 N ATOM 216 CA LEU A 17 10.789 0.336 0.374 1.00 0.00 C ATOM 217 C LEU A 17 9.453 0.811 0.910 1.00 0.00 C ATOM 218 O LEU A 17 8.948 1.845 0.480 1.00 0.00 O ATOM 219 CB LEU A 17 11.746 1.506 0.044 1.00 0.00 C ATOM 220 CG LEU A 17 12.310 2.332 1.221 1.00 0.00 C ATOM 221 CD1 LEU A 17 13.283 1.525 2.096 1.00 0.00 C ATOM 222 CD2 LEU A 17 12.978 3.617 0.698 1.00 0.00 C ATOM 0 H LEU A 17 10.748 0.166 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 17 11.296 -0.273 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.590 1.101 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.221 2.190 -0.623 1.00 0.00 H new ATOM 0 HG LEU A 17 11.469 2.602 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.649 2.154 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.767 0.660 2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.124 1.189 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.371 4.190 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.793 3.355 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.243 4.217 0.162 1.00 0.00 H new ATOM 234 N THR A 18 8.845 0.031 1.831 1.00 0.00 N ATOM 235 CA THR A 18 7.513 0.257 2.359 1.00 0.00 C ATOM 236 C THR A 18 7.616 0.286 3.842 1.00 0.00 C ATOM 237 O THR A 18 8.638 -0.075 4.413 1.00 0.00 O ATOM 238 CB THR A 18 6.547 -0.940 2.031 1.00 0.00 C ATOM 239 OG1 THR A 18 7.252 -2.173 1.907 1.00 0.00 O ATOM 240 CG2 THR A 18 5.707 -0.723 0.778 1.00 0.00 C ATOM 0 H THR A 18 9.295 -0.794 2.229 1.00 0.00 H new ATOM 0 HA THR A 18 7.129 1.179 1.922 1.00 0.00 H new ATOM 0 HB THR A 18 5.869 -0.987 2.883 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.648 -2.412 2.771 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.066 -1.589 0.615 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.090 0.167 0.903 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.364 -0.591 -0.082 1.00 0.00 H new ATOM 248 N CYS A 19 6.498 0.674 4.514 1.00 0.00 N ATOM 249 CA CYS A 19 6.438 0.732 5.961 1.00 0.00 C ATOM 250 C CYS A 19 6.137 -0.659 6.491 1.00 0.00 C ATOM 251 O CYS A 19 6.107 -1.636 5.743 1.00 0.00 O ATOM 252 CB CYS A 19 5.510 1.817 6.593 1.00 0.00 C ATOM 253 SG CYS A 19 3.725 1.740 6.221 1.00 0.00 S ATOM 0 H CYS A 19 5.631 0.949 4.052 1.00 0.00 H new ATOM 0 HA CYS A 19 7.422 1.074 6.281 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.628 1.768 7.675 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.875 2.794 6.277 1.00 0.00 H new ATOM 258 N GLY A 20 5.882 -0.758 7.818 1.00 0.00 N ATOM 259 CA GLY A 20 5.590 -1.995 8.513 1.00 0.00 C ATOM 260 C GLY A 20 4.227 -2.522 8.153 1.00 0.00 C ATOM 261 O GLY A 20 4.078 -3.708 7.871 1.00 0.00 O ATOM 0 H GLY A 20 5.878 0.054 8.435 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.346 -2.740 8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.645 -1.831 9.589 1.00 0.00 H new ATOM 265 N SER A 21 3.214 -1.618 8.099 1.00 0.00 N ATOM 266 CA SER A 21 1.827 -1.954 7.814 1.00 0.00 C ATOM 267 C SER A 21 1.568 -2.276 6.354 1.00 0.00 C ATOM 268 O SER A 21 0.710 -3.110 6.080 1.00 0.00 O ATOM 269 CB SER A 21 0.808 -0.916 8.349 1.00 0.00 C ATOM 270 OG SER A 21 0.988 0.380 7.790 1.00 0.00 O ATOM 0 H SER A 21 3.360 -0.621 8.258 1.00 0.00 H new ATOM 0 HA SER A 21 1.660 -2.873 8.376 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.203 -1.262 8.132 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.897 -0.853 9.434 1.00 0.00 H new ATOM 0 HG SER A 21 1.891 0.452 7.416 1.00 0.00 H new ATOM 276 N CYS A 22 2.317 -1.647 5.390 1.00 0.00 N ATOM 277 CA CYS A 22 2.145 -1.792 3.941 1.00 0.00 C ATOM 278 C CYS A 22 2.510 -3.167 3.462 1.00 0.00 C ATOM 279 O CYS A 22 2.007 -3.623 2.438 1.00 0.00 O ATOM 280 CB CYS A 22 2.815 -0.709 3.068 1.00 0.00 C ATOM 281 SG CYS A 22 1.818 0.824 3.091 1.00 0.00 S ATOM 0 H CYS A 22 3.076 -1.009 5.630 1.00 0.00 H new ATOM 0 HA CYS A 22 1.075 -1.636 3.801 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.820 -0.504 3.437 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.919 -1.069 2.044 1.00 0.00 H new ATOM 286 N LYS A 23 3.347 -3.869 4.265 1.00 0.00 N ATOM 287 CA LYS A 23 3.775 -5.243 4.100 1.00 0.00 C ATOM 288 C LYS A 23 2.570 -6.152 4.197 1.00 0.00 C ATOM 289 O LYS A 23 2.169 -6.805 3.240 1.00 0.00 O ATOM 290 CB LYS A 23 4.826 -5.674 5.166 1.00 0.00 C ATOM 291 CG LYS A 23 5.249 -7.167 5.184 1.00 0.00 C ATOM 292 CD LYS A 23 5.987 -7.584 6.471 1.00 0.00 C ATOM 293 CE LYS A 23 6.198 -9.104 6.618 1.00 0.00 C ATOM 294 NZ LYS A 23 4.933 -9.823 6.784 1.00 0.00 N ATOM 0 H LYS A 23 3.758 -3.443 5.096 1.00 0.00 H new ATOM 0 HA LYS A 23 4.249 -5.323 3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.722 -5.071 5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.431 -5.423 6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.361 -7.789 5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.892 -7.364 4.326 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.958 -7.090 6.495 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.424 -7.222 7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.718 -9.484 5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.840 -9.299 7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.038 -10.543 7.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.185 -9.152 7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.676 -10.285 5.888 1.00 0.00 H new ATOM 308 N VAL A 24 1.979 -6.155 5.409 1.00 0.00 N ATOM 309 CA VAL A 24 0.883 -6.965 5.902 1.00 0.00 C ATOM 310 C VAL A 24 -0.403 -6.740 5.160 1.00 0.00 C ATOM 311 O VAL A 24 -1.166 -7.671 4.912 1.00 0.00 O ATOM 312 CB VAL A 24 0.679 -6.713 7.427 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.338 -7.660 8.092 1.00 0.00 C ATOM 314 CG2 VAL A 24 2.016 -6.728 8.201 1.00 0.00 C ATOM 0 H VAL A 24 2.305 -5.515 6.133 1.00 0.00 H new ATOM 0 HA VAL A 24 1.159 -8.005 5.730 1.00 0.00 H new ATOM 0 HB VAL A 24 0.251 -5.712 7.485 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.421 -7.418 9.152 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.311 -7.542 7.615 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.002 -8.691 7.980 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.826 -6.548 9.259 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.497 -7.699 8.078 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.670 -5.948 7.812 1.00 0.00 H new ATOM 324 N PHE A 25 -0.623 -5.467 4.775 1.00 0.00 N ATOM 325 CA PHE A 25 -1.720 -4.906 4.024 1.00 0.00 C ATOM 326 C PHE A 25 -1.807 -5.579 2.681 1.00 0.00 C ATOM 327 O PHE A 25 -2.809 -6.199 2.337 1.00 0.00 O ATOM 328 CB PHE A 25 -1.437 -3.393 3.863 1.00 0.00 C ATOM 329 CG PHE A 25 -2.403 -2.637 2.999 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.789 -2.603 3.235 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.883 -2.014 1.856 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.641 -1.973 2.318 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.731 -1.402 0.941 1.00 0.00 C ATOM 334 CZ PHE A 25 -4.113 -1.387 1.160 1.00 0.00 C ATOM 0 H PHE A 25 0.050 -4.741 5.020 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.671 -5.058 4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.430 -2.937 4.853 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.436 -3.272 3.449 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.197 -3.063 4.123 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.817 -2.010 1.685 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.704 -1.939 2.504 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.322 -0.936 0.057 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.771 -0.925 0.439 1.00 0.00 H new ATOM 344 N PHE A 26 -0.674 -5.474 1.954 1.00 0.00 N ATOM 345 CA PHE A 26 -0.386 -5.998 0.639 1.00 0.00 C ATOM 346 C PHE A 26 -0.427 -7.501 0.603 1.00 0.00 C ATOM 347 O PHE A 26 -0.997 -8.093 -0.300 1.00 0.00 O ATOM 348 CB PHE A 26 0.997 -5.473 0.166 1.00 0.00 C ATOM 349 CG PHE A 26 1.469 -5.976 -1.178 1.00 0.00 C ATOM 350 CD1 PHE A 26 0.930 -5.509 -2.386 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.487 -6.942 -1.221 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.436 -5.959 -3.612 1.00 0.00 C ATOM 353 CE2 PHE A 26 2.993 -7.393 -2.440 1.00 0.00 C ATOM 354 CZ PHE A 26 2.464 -6.912 -3.641 1.00 0.00 C ATOM 0 H PHE A 26 0.129 -4.967 2.327 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.163 -5.649 -0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.958 -4.384 0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.742 -5.742 0.915 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.118 -4.797 -2.371 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.883 -7.341 -0.299 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.034 -5.571 -4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.795 -8.116 -2.456 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.845 -7.272 -4.585 1.00 0.00 H new ATOM 364 N LYS A 27 0.169 -8.148 1.617 1.00 0.00 N ATOM 365 CA LYS A 27 0.320 -9.586 1.747 1.00 0.00 C ATOM 366 C LYS A 27 -1.006 -10.287 1.934 1.00 0.00 C ATOM 367 O LYS A 27 -1.166 -11.432 1.512 1.00 0.00 O ATOM 368 CB LYS A 27 1.449 -10.001 2.728 1.00 0.00 C ATOM 369 CG LYS A 27 1.633 -11.511 3.014 1.00 0.00 C ATOM 370 CD LYS A 27 0.807 -12.069 4.194 1.00 0.00 C ATOM 371 CE LYS A 27 1.147 -11.432 5.554 1.00 0.00 C ATOM 372 NZ LYS A 27 0.378 -12.050 6.633 1.00 0.00 N ATOM 0 H LYS A 27 0.577 -7.645 2.405 1.00 0.00 H new ATOM 0 HA LYS A 27 0.685 -9.959 0.790 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.391 -9.616 2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.269 -9.499 3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.371 -12.068 2.114 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.688 -11.700 3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.252 -11.915 3.987 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.966 -13.145 4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.213 -11.542 5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.938 -10.363 5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.627 -11.602 7.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.638 -11.923 6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.597 -13.066 6.678 1.00 0.00 H new ATOM 386 N ARG A 28 -2.000 -9.582 2.531 1.00 0.00 N ATOM 387 CA ARG A 28 -3.340 -10.090 2.738 1.00 0.00 C ATOM 388 C ARG A 28 -4.201 -9.751 1.552 1.00 0.00 C ATOM 389 O ARG A 28 -5.061 -10.535 1.162 1.00 0.00 O ATOM 390 CB ARG A 28 -3.970 -9.554 4.047 1.00 0.00 C ATOM 391 CG ARG A 28 -4.779 -10.597 4.843 1.00 0.00 C ATOM 392 CD ARG A 28 -3.892 -11.709 5.446 1.00 0.00 C ATOM 393 NE ARG A 28 -4.698 -12.617 6.345 1.00 0.00 N ATOM 394 CZ ARG A 28 -5.135 -12.239 7.590 1.00 0.00 C ATOM 395 NH1 ARG A 28 -4.560 -11.207 8.274 1.00 0.00 N ATOM 396 NH2 ARG A 28 -6.166 -12.928 8.164 1.00 0.00 N ATOM 0 H ARG A 28 -1.870 -8.632 2.880 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.277 -11.173 2.839 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.176 -9.166 4.685 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.623 -8.715 3.804 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.320 -10.095 5.645 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.525 -11.048 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.440 -12.293 4.644 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.076 -11.261 6.013 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.928 -13.553 6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.782 -10.692 7.861 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.908 -10.951 9.198 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.597 -13.708 7.668 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.505 -12.662 9.089 1.00 0.00 H new ATOM 410 N ALA A 29 -3.934 -8.579 0.927 1.00 0.00 N ATOM 411 CA ALA A 29 -4.645 -8.011 -0.208 1.00 0.00 C ATOM 412 C ALA A 29 -4.424 -8.795 -1.484 1.00 0.00 C ATOM 413 O ALA A 29 -5.304 -8.868 -2.339 1.00 0.00 O ATOM 414 CB ALA A 29 -4.257 -6.539 -0.452 1.00 0.00 C ATOM 0 H ALA A 29 -3.167 -7.980 1.233 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.701 -8.066 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.811 -6.154 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.498 -5.948 0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.188 -6.473 -0.652 1.00 0.00 H new ATOM 420 N VAL A 30 -3.215 -9.400 -1.609 1.00 0.00 N ATOM 421 CA VAL A 30 -2.728 -10.155 -2.742 1.00 0.00 C ATOM 422 C VAL A 30 -3.128 -11.593 -2.562 1.00 0.00 C ATOM 423 O VAL A 30 -3.846 -12.152 -3.391 1.00 0.00 O ATOM 424 CB VAL A 30 -1.185 -10.008 -2.913 1.00 0.00 C ATOM 425 CG1 VAL A 30 -0.588 -10.909 -4.011 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.754 -8.550 -3.168 1.00 0.00 C ATOM 0 H VAL A 30 -2.525 -9.357 -0.859 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.173 -9.763 -3.656 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.783 -10.340 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.489 -10.748 -4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.787 -11.954 -3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.043 -10.663 -4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.329 -8.505 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.228 -8.184 -4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.058 -7.928 -2.326 1.00 0.00 H new ATOM 436 N GLU A 31 -2.656 -12.204 -1.450 1.00 0.00 N ATOM 437 CA GLU A 31 -2.923 -13.583 -1.068 1.00 0.00 C ATOM 438 C GLU A 31 -4.139 -13.604 -0.173 1.00 0.00 C ATOM 439 O GLU A 31 -4.129 -14.047 0.975 1.00 0.00 O ATOM 440 CB GLU A 31 -1.722 -14.329 -0.437 1.00 0.00 C ATOM 441 CG GLU A 31 -0.701 -14.810 -1.496 1.00 0.00 C ATOM 442 CD GLU A 31 0.431 -15.628 -0.863 1.00 0.00 C ATOM 443 OE1 GLU A 31 0.130 -16.692 -0.258 1.00 0.00 O ATOM 444 OE2 GLU A 31 1.613 -15.209 -0.990 1.00 0.00 O ATOM 0 H GLU A 31 -2.059 -11.720 -0.780 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.114 -14.143 -1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.221 -13.670 0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.087 -15.187 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.212 -15.415 -2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.281 -13.948 -2.014 1.00 0.00 H new ATOM 451 N GLY A 32 -5.235 -13.124 -0.785 1.00 0.00 N ATOM 452 CA GLY A 32 -6.573 -13.057 -0.282 1.00 0.00 C ATOM 453 C GLY A 32 -7.303 -12.614 -1.505 1.00 0.00 C ATOM 454 O GLY A 32 -7.206 -13.254 -2.553 1.00 0.00 O ATOM 0 H GLY A 32 -5.176 -12.744 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.926 -14.021 0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.672 -12.347 0.539 1.00 0.00 H new ATOM 458 N GLN A 33 -8.037 -11.484 -1.409 1.00 0.00 N ATOM 459 CA GLN A 33 -8.756 -10.905 -2.512 1.00 0.00 C ATOM 460 C GLN A 33 -8.980 -9.472 -2.145 1.00 0.00 C ATOM 461 O GLN A 33 -8.517 -8.559 -2.827 1.00 0.00 O ATOM 462 CB GLN A 33 -10.049 -11.657 -2.956 1.00 0.00 C ATOM 463 CG GLN A 33 -11.259 -11.800 -1.992 1.00 0.00 C ATOM 464 CD GLN A 33 -10.947 -12.643 -0.742 1.00 0.00 C ATOM 465 OE1 GLN A 33 -10.700 -13.850 -0.846 1.00 0.00 O ATOM 466 NE2 GLN A 33 -10.950 -11.976 0.452 1.00 0.00 N ATOM 0 H GLN A 33 -8.134 -10.958 -0.540 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.159 -10.996 -3.419 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.414 -11.162 -3.856 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.750 -12.664 -3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.585 -10.808 -1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.091 -12.255 -2.530 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.161 -10.978 0.478 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.741 -12.476 1.316 1.00 0.00 H new ATOM 475 N HIS A 34 -9.708 -9.280 -1.023 1.00 0.00 N ATOM 476 CA HIS A 34 -10.109 -8.040 -0.392 1.00 0.00 C ATOM 477 C HIS A 34 -11.071 -7.270 -1.263 1.00 0.00 C ATOM 478 O HIS A 34 -12.267 -7.559 -1.270 1.00 0.00 O ATOM 479 CB HIS A 34 -8.966 -7.164 0.178 1.00 0.00 C ATOM 480 CG HIS A 34 -8.347 -7.813 1.387 1.00 0.00 C ATOM 481 ND1 HIS A 34 -8.400 -7.205 2.631 1.00 0.00 N ATOM 482 CD2 HIS A 34 -7.763 -9.036 1.485 1.00 0.00 C ATOM 483 CE1 HIS A 34 -7.839 -8.073 3.451 1.00 0.00 C ATOM 484 NE2 HIS A 34 -7.439 -9.199 2.811 1.00 0.00 N ATOM 0 H HIS A 34 -10.056 -10.082 -0.497 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.637 -8.347 0.511 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -8.205 -7.009 -0.587 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -9.354 -6.181 0.446 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.787 -6.290 2.862 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.589 -9.738 0.683 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.713 -7.906 4.510 1.00 0.00 H new ATOM 492 N ASN A 35 -10.541 -6.264 -2.011 1.00 0.00 N ATOM 493 CA ASN A 35 -11.236 -5.371 -2.917 1.00 0.00 C ATOM 494 C ASN A 35 -11.848 -4.276 -2.073 1.00 0.00 C ATOM 495 O ASN A 35 -12.928 -4.438 -1.503 1.00 0.00 O ATOM 496 CB ASN A 35 -12.240 -6.041 -3.908 1.00 0.00 C ATOM 497 CG ASN A 35 -12.560 -5.151 -5.129 1.00 0.00 C ATOM 498 OD1 ASN A 35 -13.475 -4.321 -5.077 1.00 0.00 O ATOM 499 ND2 ASN A 35 -11.778 -5.340 -6.235 1.00 0.00 N ATOM 0 H ASN A 35 -9.542 -6.060 -1.978 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.510 -4.961 -3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.825 -6.988 -4.253 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.165 -6.272 -3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.936 -4.781 -7.073 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.036 -6.040 -6.222 1.00 0.00 H new ATOM 506 N TYR A 36 -11.131 -3.131 -1.986 1.00 0.00 N ATOM 507 CA TYR A 36 -11.484 -1.958 -1.213 1.00 0.00 C ATOM 508 C TYR A 36 -12.384 -1.034 -2.013 1.00 0.00 C ATOM 509 O TYR A 36 -13.558 -1.343 -2.214 1.00 0.00 O ATOM 510 CB TYR A 36 -10.253 -1.259 -0.559 1.00 0.00 C ATOM 511 CG TYR A 36 -9.231 -2.249 -0.020 1.00 0.00 C ATOM 512 CD1 TYR A 36 -9.364 -2.676 1.315 1.00 0.00 C ATOM 513 CD2 TYR A 36 -8.130 -2.727 -0.767 1.00 0.00 C ATOM 514 CE1 TYR A 36 -8.431 -3.541 1.894 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.193 -3.594 -0.187 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.341 -3.998 1.145 1.00 0.00 C ATOM 517 OH TYR A 36 -6.386 -4.848 1.744 1.00 0.00 O ATOM 0 H TYR A 36 -10.249 -3.013 -2.485 1.00 0.00 H new ATOM 0 HA TYR A 36 -12.072 -2.288 -0.357 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.774 -0.614 -1.295 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -10.594 -0.617 0.253 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -10.202 -2.329 1.902 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.009 -2.421 -1.796 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.551 -3.857 2.920 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.356 -3.951 -0.769 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.834 -5.643 2.101 1.00 0.00 H new ATOM 527 N LEU A 37 -11.854 0.120 -2.481 1.00 0.00 N ATOM 528 CA LEU A 37 -12.551 1.128 -3.252 1.00 0.00 C ATOM 529 C LEU A 37 -11.751 1.236 -4.524 1.00 0.00 C ATOM 530 O LEU A 37 -11.156 0.251 -4.961 1.00 0.00 O ATOM 531 CB LEU A 37 -12.684 2.512 -2.549 1.00 0.00 C ATOM 532 CG LEU A 37 -13.372 2.525 -1.161 1.00 0.00 C ATOM 533 CD1 LEU A 37 -12.418 2.127 -0.020 1.00 0.00 C ATOM 534 CD2 LEU A 37 -13.996 3.907 -0.877 1.00 0.00 C ATOM 0 H LEU A 37 -10.879 0.368 -2.313 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.589 0.833 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.685 2.934 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.239 3.177 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.160 1.773 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.954 2.154 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.041 1.119 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.582 2.826 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.474 3.896 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.216 4.668 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.739 4.135 -1.641 1.00 0.00 H new ATOM 546 N CYS A 38 -11.748 2.457 -5.125 1.00 0.00 N ATOM 547 CA CYS A 38 -11.087 2.985 -6.324 1.00 0.00 C ATOM 548 C CYS A 38 -10.677 1.970 -7.362 1.00 0.00 C ATOM 549 O CYS A 38 -9.538 1.901 -7.817 1.00 0.00 O ATOM 550 CB CYS A 38 -9.898 3.906 -5.976 1.00 0.00 C ATOM 551 SG CYS A 38 -10.491 5.455 -5.220 1.00 0.00 S ATOM 0 H CYS A 38 -12.302 3.200 -4.700 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.877 3.568 -6.798 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.223 3.395 -5.290 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.327 4.129 -6.877 1.00 0.00 H new ATOM 556 N ALA A 39 -11.686 1.179 -7.768 1.00 0.00 N ATOM 557 CA ALA A 39 -11.623 0.091 -8.707 1.00 0.00 C ATOM 558 C ALA A 39 -11.848 0.576 -10.110 1.00 0.00 C ATOM 559 O ALA A 39 -11.535 -0.123 -11.073 1.00 0.00 O ATOM 560 CB ALA A 39 -12.676 -0.983 -8.389 1.00 0.00 C ATOM 0 H ALA A 39 -12.632 1.310 -7.409 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.626 -0.341 -8.622 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.602 -1.791 -9.117 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.502 -1.378 -7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.672 -0.542 -8.436 1.00 0.00 H new ATOM 566 N GLY A 40 -12.400 1.801 -10.235 1.00 0.00 N ATOM 567 CA GLY A 40 -12.687 2.402 -11.510 1.00 0.00 C ATOM 568 C GLY A 40 -12.727 3.892 -11.387 1.00 0.00 C ATOM 569 O GLY A 40 -13.411 4.540 -12.180 1.00 0.00 O ATOM 0 H GLY A 40 -12.652 2.386 -9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.927 2.111 -12.236 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.643 2.036 -11.885 1.00 0.00 H new ATOM 573 N ARG A 41 -11.982 4.486 -10.413 1.00 0.00 N ATOM 574 CA ARG A 41 -11.905 5.914 -10.243 1.00 0.00 C ATOM 575 C ARG A 41 -10.442 6.195 -10.360 1.00 0.00 C ATOM 576 O ARG A 41 -9.940 6.503 -11.441 1.00 0.00 O ATOM 577 CB ARG A 41 -12.502 6.461 -8.923 1.00 0.00 C ATOM 578 CG ARG A 41 -14.022 6.243 -8.773 1.00 0.00 C ATOM 579 CD ARG A 41 -14.823 7.511 -8.412 1.00 0.00 C ATOM 580 NE ARG A 41 -14.423 8.004 -7.042 1.00 0.00 N ATOM 581 CZ ARG A 41 -15.112 9.002 -6.401 1.00 0.00 C ATOM 582 NH1 ARG A 41 -16.407 9.302 -6.712 1.00 0.00 N ATOM 583 NH2 ARG A 41 -14.485 9.714 -5.417 1.00 0.00 N ATOM 0 H ARG A 41 -11.427 3.962 -9.737 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.517 6.424 -10.987 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.994 5.985 -8.084 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.292 7.529 -8.858 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.411 5.838 -9.707 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.193 5.490 -8.003 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.642 8.289 -9.154 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.891 7.294 -8.432 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.617 7.583 -6.580 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.891 8.778 -7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.890 10.051 -6.216 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.519 9.500 -5.169 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -14.983 10.459 -4.931 1.00 0.00 H new ATOM 597 N ASN A 42 -9.739 6.078 -9.208 1.00 0.00 N ATOM 598 CA ASN A 42 -8.322 6.289 -8.984 1.00 0.00 C ATOM 599 C ASN A 42 -8.106 7.785 -9.064 1.00 0.00 C ATOM 600 O ASN A 42 -7.521 8.307 -10.012 1.00 0.00 O ATOM 601 CB ASN A 42 -7.377 5.422 -9.879 1.00 0.00 C ATOM 602 CG ASN A 42 -5.871 5.571 -9.577 1.00 0.00 C ATOM 603 OD1 ASN A 42 -5.104 6.096 -10.392 1.00 0.00 O ATOM 604 ND2 ASN A 42 -5.475 5.084 -8.368 1.00 0.00 N ATOM 0 H ASN A 42 -10.209 5.808 -8.344 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.031 5.924 -7.999 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.653 4.374 -9.763 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.550 5.684 -10.923 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.495 5.142 -8.091 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.159 4.662 -7.740 1.00 0.00 H new ATOM 611 N ASP A 43 -8.644 8.487 -8.043 1.00 0.00 N ATOM 612 CA ASP A 43 -8.551 9.929 -7.905 1.00 0.00 C ATOM 613 C ASP A 43 -7.577 10.291 -6.836 1.00 0.00 C ATOM 614 O ASP A 43 -6.590 10.976 -7.105 1.00 0.00 O ATOM 615 CB ASP A 43 -9.886 10.665 -7.543 1.00 0.00 C ATOM 616 CG ASP A 43 -10.887 9.927 -6.627 1.00 0.00 C ATOM 617 OD1 ASP A 43 -11.345 8.815 -6.993 1.00 0.00 O ATOM 618 OD2 ASP A 43 -11.214 10.494 -5.549 1.00 0.00 O ATOM 0 H ASP A 43 -9.162 8.044 -7.284 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.245 10.256 -8.899 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.629 11.611 -7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.399 10.907 -8.474 1.00 0.00 H new ATOM 623 N CYS A 44 -7.856 9.849 -5.587 1.00 0.00 N ATOM 624 CA CYS A 44 -7.160 10.208 -4.394 1.00 0.00 C ATOM 625 C CYS A 44 -5.693 9.821 -4.392 1.00 0.00 C ATOM 626 O CYS A 44 -5.304 8.788 -4.934 1.00 0.00 O ATOM 627 CB CYS A 44 -7.868 9.677 -3.098 1.00 0.00 C ATOM 628 SG CYS A 44 -9.267 8.494 -3.299 1.00 0.00 S ATOM 0 H CYS A 44 -8.620 9.198 -5.408 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.196 11.297 -4.383 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.112 9.197 -2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.237 10.539 -2.542 1.00 0.00 H new ATOM 633 N ILE A 45 -4.848 10.679 -3.765 1.00 0.00 N ATOM 634 CA ILE A 45 -3.421 10.474 -3.601 1.00 0.00 C ATOM 635 C ILE A 45 -3.334 9.914 -2.217 1.00 0.00 C ATOM 636 O ILE A 45 -4.066 10.346 -1.332 1.00 0.00 O ATOM 637 CB ILE A 45 -2.572 11.779 -3.720 1.00 0.00 C ATOM 638 CG1 ILE A 45 -2.750 12.446 -5.108 1.00 0.00 C ATOM 639 CG2 ILE A 45 -1.070 11.603 -3.371 1.00 0.00 C ATOM 640 CD1 ILE A 45 -2.304 11.591 -6.306 1.00 0.00 C ATOM 0 H ILE A 45 -5.171 11.555 -3.353 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.015 9.833 -4.384 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.970 12.446 -2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.801 12.704 -5.237 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.188 13.380 -5.119 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.557 12.558 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.974 11.255 -2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.623 10.872 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.469 12.145 -7.230 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.245 11.354 -6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.882 10.667 -6.329 1.00 0.00 H new ATOM 652 N ILE A 46 -2.437 8.925 -2.023 1.00 0.00 N ATOM 653 CA ILE A 46 -2.232 8.256 -0.766 1.00 0.00 C ATOM 654 C ILE A 46 -0.859 8.658 -0.341 1.00 0.00 C ATOM 655 O ILE A 46 0.129 8.464 -1.049 1.00 0.00 O ATOM 656 CB ILE A 46 -2.496 6.721 -0.880 1.00 0.00 C ATOM 657 CG1 ILE A 46 -3.902 6.332 -0.361 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.444 5.764 -0.277 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.054 7.260 -0.740 1.00 0.00 C ATOM 0 H ILE A 46 -1.832 8.577 -2.767 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.943 8.546 0.008 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.418 6.570 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.136 5.332 -0.728 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.858 6.270 0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.760 4.732 -0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.483 5.925 -0.765 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.345 5.958 0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.983 6.878 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.860 8.259 -0.349 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.142 7.306 -1.825 1.00 0.00 H new ATOM 671 N ASP A 47 -0.822 9.255 0.864 1.00 0.00 N ATOM 672 CA ASP A 47 0.360 9.709 1.529 1.00 0.00 C ATOM 673 C ASP A 47 0.024 9.552 2.987 1.00 0.00 C ATOM 674 O ASP A 47 -0.955 8.897 3.330 1.00 0.00 O ATOM 675 CB ASP A 47 0.907 11.086 1.058 1.00 0.00 C ATOM 676 CG ASP A 47 -0.076 12.260 1.191 1.00 0.00 C ATOM 677 OD1 ASP A 47 -0.351 12.693 2.342 1.00 0.00 O ATOM 678 OD2 ASP A 47 -0.558 12.741 0.131 1.00 0.00 O ATOM 0 H ASP A 47 -1.668 9.431 1.406 1.00 0.00 H new ATOM 0 HA ASP A 47 1.243 9.122 1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.805 11.318 1.631 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.208 11.002 0.014 1.00 0.00 H new ATOM 683 N LYS A 48 0.841 10.154 3.880 1.00 0.00 N ATOM 684 CA LYS A 48 0.802 10.013 5.329 1.00 0.00 C ATOM 685 C LYS A 48 -0.436 10.556 6.008 1.00 0.00 C ATOM 686 O LYS A 48 -0.748 10.193 7.140 1.00 0.00 O ATOM 687 CB LYS A 48 2.080 10.651 5.927 1.00 0.00 C ATOM 688 CG LYS A 48 2.676 9.991 7.191 1.00 0.00 C ATOM 689 CD LYS A 48 2.054 10.372 8.550 1.00 0.00 C ATOM 690 CE LYS A 48 1.934 11.886 8.793 1.00 0.00 C ATOM 691 NZ LYS A 48 1.398 12.166 10.123 1.00 0.00 N ATOM 0 H LYS A 48 1.583 10.785 3.578 1.00 0.00 H new ATOM 0 HA LYS A 48 0.760 8.942 5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.849 10.655 5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.859 11.692 6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.597 8.910 7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.739 10.231 7.227 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.062 9.926 8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.656 9.935 9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.913 12.353 8.687 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.286 12.328 8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.328 13.195 10.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.454 11.740 10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.030 11.763 10.844 1.00 0.00 H new ATOM 705 N ILE A 49 -1.171 11.439 5.306 1.00 0.00 N ATOM 706 CA ILE A 49 -2.330 12.140 5.806 1.00 0.00 C ATOM 707 C ILE A 49 -3.556 11.637 5.095 1.00 0.00 C ATOM 708 O ILE A 49 -4.571 11.322 5.716 1.00 0.00 O ATOM 709 CB ILE A 49 -2.128 13.675 5.628 1.00 0.00 C ATOM 710 CG1 ILE A 49 -0.946 14.219 6.473 1.00 0.00 C ATOM 711 CG2 ILE A 49 -3.407 14.507 5.828 1.00 0.00 C ATOM 712 CD1 ILE A 49 -1.104 14.073 7.995 1.00 0.00 C ATOM 0 H ILE A 49 -0.951 11.681 4.340 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.464 11.952 6.871 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.863 13.800 4.578 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.035 13.704 6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.809 15.275 6.238 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.180 15.564 5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.159 14.198 5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.789 14.350 6.837 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.225 14.483 8.493 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.992 14.614 8.322 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.207 13.018 8.251 1.00 0.00 H new ATOM 724 N ARG A 50 -3.455 11.563 3.753 1.00 0.00 N ATOM 725 CA ARG A 50 -4.495 11.181 2.812 1.00 0.00 C ATOM 726 C ARG A 50 -4.784 9.686 2.815 1.00 0.00 C ATOM 727 O ARG A 50 -5.680 9.214 2.117 1.00 0.00 O ATOM 728 CB ARG A 50 -4.113 11.577 1.372 1.00 0.00 C ATOM 729 CG ARG A 50 -3.804 13.071 1.120 1.00 0.00 C ATOM 730 CD ARG A 50 -5.020 13.935 0.719 1.00 0.00 C ATOM 731 NE ARG A 50 -5.859 14.344 1.904 1.00 0.00 N ATOM 732 CZ ARG A 50 -5.495 15.324 2.792 1.00 0.00 C ATOM 733 NH1 ARG A 50 -4.500 16.217 2.516 1.00 0.00 N ATOM 734 NH2 ARG A 50 -6.175 15.427 3.973 1.00 0.00 N ATOM 0 H ARG A 50 -2.580 11.786 3.278 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.387 11.714 3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.239 10.995 1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.928 11.282 0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.362 13.491 2.023 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.052 13.143 0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.671 14.828 0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.639 13.379 0.015 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.747 13.865 2.053 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.002 16.167 1.627 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.254 16.934 3.199 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.937 14.782 4.180 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.920 16.149 4.647 1.00 0.00 H new ATOM 748 N ARG A 51 -4.038 8.927 3.654 1.00 0.00 N ATOM 749 CA ARG A 51 -4.087 7.491 3.884 1.00 0.00 C ATOM 750 C ARG A 51 -5.410 7.053 4.477 1.00 0.00 C ATOM 751 O ARG A 51 -5.919 5.980 4.151 1.00 0.00 O ATOM 752 CB ARG A 51 -2.900 7.056 4.796 1.00 0.00 C ATOM 753 CG ARG A 51 -3.026 5.789 5.675 1.00 0.00 C ATOM 754 CD ARG A 51 -1.752 5.503 6.490 1.00 0.00 C ATOM 755 NE ARG A 51 -1.976 4.332 7.418 1.00 0.00 N ATOM 756 CZ ARG A 51 -2.756 4.422 8.545 1.00 0.00 C ATOM 757 NH1 ARG A 51 -3.032 5.622 9.136 1.00 0.00 N ATOM 758 NH2 ARG A 51 -3.264 3.278 9.092 1.00 0.00 N ATOM 0 H ARG A 51 -3.322 9.362 4.236 1.00 0.00 H new ATOM 0 HA ARG A 51 -3.994 6.996 2.917 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.030 6.920 4.154 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.678 7.891 5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.869 5.906 6.356 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.246 4.931 5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.922 5.289 5.817 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.475 6.385 7.067 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.531 3.441 7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.655 6.484 8.741 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.615 5.656 9.972 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.062 2.375 8.664 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.845 3.327 9.929 1.00 0.00 H new ATOM 772 N LYS A 52 -5.976 7.896 5.380 1.00 0.00 N ATOM 773 CA LYS A 52 -7.177 7.652 6.141 1.00 0.00 C ATOM 774 C LYS A 52 -8.404 8.158 5.410 1.00 0.00 C ATOM 775 O LYS A 52 -9.468 8.333 6.002 1.00 0.00 O ATOM 776 CB LYS A 52 -7.057 8.293 7.547 1.00 0.00 C ATOM 777 CG LYS A 52 -7.458 7.397 8.740 1.00 0.00 C ATOM 778 CD LYS A 52 -8.957 7.061 8.871 1.00 0.00 C ATOM 779 CE LYS A 52 -9.412 5.822 8.080 1.00 0.00 C ATOM 780 NZ LYS A 52 -10.854 5.621 8.202 1.00 0.00 N ATOM 0 H LYS A 52 -5.566 8.806 5.590 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.295 6.575 6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.025 8.614 7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.676 9.190 7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.903 6.462 8.666 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.136 7.887 9.659 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.190 6.908 9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.538 7.921 8.538 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.146 5.939 7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.886 4.940 8.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.134 4.779 7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.102 5.486 9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.353 6.454 7.831 1.00 0.00 H new ATOM 794 N ASN A 53 -8.273 8.384 4.080 1.00 0.00 N ATOM 795 CA ASN A 53 -9.324 8.829 3.199 1.00 0.00 C ATOM 796 C ASN A 53 -9.771 7.641 2.398 1.00 0.00 C ATOM 797 O ASN A 53 -10.953 7.513 2.081 1.00 0.00 O ATOM 798 CB ASN A 53 -8.907 9.915 2.163 1.00 0.00 C ATOM 799 CG ASN A 53 -8.474 11.240 2.817 1.00 0.00 C ATOM 800 OD1 ASN A 53 -8.416 11.394 4.041 1.00 0.00 O ATOM 801 ND2 ASN A 53 -8.163 12.233 1.928 1.00 0.00 N ATOM 0 H ASN A 53 -7.386 8.249 3.594 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.087 9.269 3.841 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.088 9.532 1.555 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.742 10.105 1.489 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.868 13.148 2.268 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.226 12.058 0.925 1.00 0.00 H new ATOM 808 N CYS A 54 -8.809 6.754 2.035 1.00 0.00 N ATOM 809 CA CYS A 54 -9.066 5.650 1.148 1.00 0.00 C ATOM 810 C CYS A 54 -7.966 4.616 1.375 1.00 0.00 C ATOM 811 O CYS A 54 -6.798 4.949 1.189 1.00 0.00 O ATOM 812 CB CYS A 54 -9.052 6.204 -0.306 1.00 0.00 C ATOM 813 SG CYS A 54 -9.217 5.063 -1.696 1.00 0.00 S ATOM 0 H CYS A 54 -7.844 6.806 2.362 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.031 5.176 1.328 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.858 6.933 -0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.117 6.747 -0.439 1.00 0.00 H new ATOM 818 N PRO A 55 -8.312 3.344 1.713 1.00 0.00 N ATOM 819 CA PRO A 55 -7.366 2.229 1.781 1.00 0.00 C ATOM 820 C PRO A 55 -7.398 1.401 0.498 1.00 0.00 C ATOM 821 O PRO A 55 -7.117 0.203 0.553 1.00 0.00 O ATOM 822 CB PRO A 55 -7.868 1.435 2.980 1.00 0.00 C ATOM 823 CG PRO A 55 -9.390 1.596 2.913 1.00 0.00 C ATOM 824 CD PRO A 55 -9.572 3.025 2.391 1.00 0.00 C ATOM 0 HA PRO A 55 -6.327 2.543 1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.573 0.387 2.918 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.465 1.825 3.915 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.843 0.863 2.245 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.852 1.464 3.891 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.417 3.090 1.705 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.769 3.721 3.206 1.00 0.00 H new ATOM 832 N ALA A 56 -7.719 1.990 -0.687 1.00 0.00 N ATOM 833 CA ALA A 56 -7.824 1.326 -1.964 1.00 0.00 C ATOM 834 C ALA A 56 -6.647 1.697 -2.792 1.00 0.00 C ATOM 835 O ALA A 56 -5.921 0.829 -3.265 1.00 0.00 O ATOM 836 CB ALA A 56 -9.073 1.720 -2.746 1.00 0.00 C ATOM 0 H ALA A 56 -7.916 2.989 -0.753 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.875 0.257 -1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.091 1.186 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.960 1.463 -2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.061 2.794 -2.934 1.00 0.00 H new ATOM 842 N CYS A 57 -6.430 3.030 -2.941 1.00 0.00 N ATOM 843 CA CYS A 57 -5.335 3.684 -3.606 1.00 0.00 C ATOM 844 C CYS A 57 -3.975 3.279 -3.132 1.00 0.00 C ATOM 845 O CYS A 57 -3.057 3.232 -3.934 1.00 0.00 O ATOM 846 CB CYS A 57 -5.462 5.211 -3.500 1.00 0.00 C ATOM 847 SG CYS A 57 -6.807 5.876 -4.540 1.00 0.00 S ATOM 0 H CYS A 57 -7.088 3.708 -2.557 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.415 3.356 -4.642 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.641 5.486 -2.461 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.519 5.672 -3.793 1.00 0.00 H new ATOM 852 N ARG A 58 -3.848 2.909 -1.840 1.00 0.00 N ATOM 853 CA ARG A 58 -2.661 2.383 -1.196 1.00 0.00 C ATOM 854 C ARG A 58 -2.203 1.086 -1.804 1.00 0.00 C ATOM 855 O ARG A 58 -1.005 0.832 -1.904 1.00 0.00 O ATOM 856 CB ARG A 58 -2.833 2.036 0.306 1.00 0.00 C ATOM 857 CG ARG A 58 -3.427 3.151 1.176 1.00 0.00 C ATOM 858 CD ARG A 58 -2.651 3.461 2.470 1.00 0.00 C ATOM 859 NE ARG A 58 -2.596 2.267 3.397 1.00 0.00 N ATOM 860 CZ ARG A 58 -3.677 1.832 4.120 1.00 0.00 C ATOM 861 NH1 ARG A 58 -4.741 2.642 4.390 1.00 0.00 N ATOM 862 NH2 ARG A 58 -3.672 0.553 4.601 1.00 0.00 N ATOM 0 H ARG A 58 -4.632 2.981 -1.191 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.954 3.201 -1.331 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.471 1.156 0.387 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.859 1.762 0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.486 4.062 0.580 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.448 2.877 1.441 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.637 3.772 2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.123 4.298 2.984 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.714 1.762 3.489 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.749 3.604 4.051 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.529 2.286 4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.875 -0.057 4.420 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.465 0.208 5.141 1.00 0.00 H new ATOM 876 N TYR A 59 -3.179 0.225 -2.214 1.00 0.00 N ATOM 877 CA TYR A 59 -2.922 -1.090 -2.780 1.00 0.00 C ATOM 878 C TYR A 59 -2.444 -0.893 -4.202 1.00 0.00 C ATOM 879 O TYR A 59 -1.516 -1.556 -4.656 1.00 0.00 O ATOM 880 CB TYR A 59 -4.187 -1.991 -2.707 1.00 0.00 C ATOM 881 CG TYR A 59 -4.040 -3.432 -3.187 1.00 0.00 C ATOM 882 CD1 TYR A 59 -2.816 -4.139 -3.186 1.00 0.00 C ATOM 883 CD2 TYR A 59 -5.193 -4.106 -3.634 1.00 0.00 C ATOM 884 CE1 TYR A 59 -2.741 -5.452 -3.672 1.00 0.00 C ATOM 885 CE2 TYR A 59 -5.125 -5.422 -4.105 1.00 0.00 C ATOM 886 CZ TYR A 59 -3.895 -6.087 -4.144 1.00 0.00 C ATOM 887 OH TYR A 59 -3.818 -7.396 -4.668 1.00 0.00 O ATOM 0 H TYR A 59 -4.172 0.448 -2.151 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.154 -1.608 -2.206 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.529 -2.012 -1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.974 -1.517 -3.293 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.926 -3.661 -2.805 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.146 -3.598 -3.613 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.795 -5.972 -3.682 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.021 -5.924 -4.438 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.343 -8.004 -4.107 1.00 0.00 H new ATOM 897 N ARG A 60 -3.034 0.115 -4.890 1.00 0.00 N ATOM 898 CA ARG A 60 -2.743 0.515 -6.249 1.00 0.00 C ATOM 899 C ARG A 60 -1.393 1.181 -6.362 1.00 0.00 C ATOM 900 O ARG A 60 -0.681 0.991 -7.344 1.00 0.00 O ATOM 901 CB ARG A 60 -3.844 1.424 -6.838 1.00 0.00 C ATOM 902 CG ARG A 60 -5.244 0.783 -6.749 1.00 0.00 C ATOM 903 CD ARG A 60 -6.401 1.692 -7.207 1.00 0.00 C ATOM 904 NE ARG A 60 -6.403 1.872 -8.709 1.00 0.00 N ATOM 905 CZ ARG A 60 -6.772 0.877 -9.581 1.00 0.00 C ATOM 906 NH1 ARG A 60 -7.525 -0.189 -9.183 1.00 0.00 N ATOM 907 NH2 ARG A 60 -6.383 0.966 -10.888 1.00 0.00 N ATOM 0 H ARG A 60 -3.764 0.690 -4.469 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.719 -0.402 -6.838 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.849 2.376 -6.307 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.613 1.642 -7.881 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.252 -0.124 -7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.425 0.480 -5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -7.351 1.262 -6.890 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -6.314 2.665 -6.723 1.00 0.00 H new ATOM 0 HE ARG A 60 -6.117 2.773 -9.092 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.831 -0.264 -8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.782 -0.911 -9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.828 1.762 -11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.648 0.236 -11.550 1.00 0.00 H new ATOM 921 N LYS A 61 -1.018 1.947 -5.304 1.00 0.00 N ATOM 922 CA LYS A 61 0.164 2.760 -5.177 1.00 0.00 C ATOM 923 C LYS A 61 1.393 1.924 -4.993 1.00 0.00 C ATOM 924 O LYS A 61 2.391 2.115 -5.684 1.00 0.00 O ATOM 925 CB LYS A 61 -0.042 3.794 -4.049 1.00 0.00 C ATOM 926 CG LYS A 61 1.102 4.779 -3.766 1.00 0.00 C ATOM 927 CD LYS A 61 1.069 6.115 -4.538 1.00 0.00 C ATOM 928 CE LYS A 61 1.130 6.021 -6.074 1.00 0.00 C ATOM 929 NZ LYS A 61 -0.180 5.741 -6.663 1.00 0.00 N ATOM 0 H LYS A 61 -1.597 1.998 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 61 0.326 3.309 -6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.934 4.375 -4.285 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.251 3.249 -3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.104 5.002 -2.699 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.045 4.280 -3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.157 6.645 -4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.906 6.726 -4.200 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.516 6.957 -6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.831 5.237 -6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.113 4.903 -7.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.870 5.562 -5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.489 6.558 -7.227 1.00 0.00 H new ATOM 943 N CYS A 62 1.305 0.937 -4.074 1.00 0.00 N ATOM 944 CA CYS A 62 2.348 -0.005 -3.732 1.00 0.00 C ATOM 945 C CYS A 62 2.667 -0.932 -4.894 1.00 0.00 C ATOM 946 O CYS A 62 3.828 -1.255 -5.136 1.00 0.00 O ATOM 947 CB CYS A 62 2.094 -0.707 -2.370 1.00 0.00 C ATOM 948 SG CYS A 62 0.809 -1.998 -2.309 1.00 0.00 S ATOM 0 H CYS A 62 0.454 0.784 -3.534 1.00 0.00 H new ATOM 0 HA CYS A 62 3.268 0.555 -3.563 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.033 -1.153 -2.042 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.834 0.060 -1.641 1.00 0.00 H new ATOM 0 HG CYS A 62 1.369 -3.170 -2.350 1.00 0.00 H new ATOM 954 N LEU A 63 1.619 -1.297 -5.689 1.00 0.00 N ATOM 955 CA LEU A 63 1.681 -2.117 -6.887 1.00 0.00 C ATOM 956 C LEU A 63 2.403 -1.381 -7.989 1.00 0.00 C ATOM 957 O LEU A 63 3.236 -1.963 -8.682 1.00 0.00 O ATOM 958 CB LEU A 63 0.286 -2.548 -7.411 1.00 0.00 C ATOM 959 CG LEU A 63 -0.338 -3.763 -6.686 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.846 -3.875 -6.981 1.00 0.00 C ATOM 961 CD2 LEU A 63 0.387 -5.074 -7.047 1.00 0.00 C ATOM 0 H LEU A 63 0.666 -0.999 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 63 2.222 -3.020 -6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.396 -1.702 -7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.369 -2.781 -8.473 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.213 -3.598 -5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.256 -4.739 -6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.351 -2.971 -6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.999 -3.995 -8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.080 -5.905 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.319 -5.243 -8.122 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.435 -5.002 -6.757 1.00 0.00 H new ATOM 973 N GLN A 64 2.117 -0.052 -8.124 1.00 0.00 N ATOM 974 CA GLN A 64 2.680 0.873 -9.082 1.00 0.00 C ATOM 975 C GLN A 64 4.157 1.059 -8.836 1.00 0.00 C ATOM 976 O GLN A 64 4.949 1.191 -9.768 1.00 0.00 O ATOM 977 CB GLN A 64 1.903 2.211 -9.046 1.00 0.00 C ATOM 978 CG GLN A 64 2.180 3.215 -10.185 1.00 0.00 C ATOM 979 CD GLN A 64 3.315 4.196 -9.845 1.00 0.00 C ATOM 980 OE1 GLN A 64 3.259 4.887 -8.820 1.00 0.00 O ATOM 981 NE2 GLN A 64 4.355 4.253 -10.731 1.00 0.00 N ATOM 0 H GLN A 64 1.439 0.404 -7.513 1.00 0.00 H new ATOM 0 HA GLN A 64 2.577 0.461 -10.086 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.837 1.983 -9.047 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.122 2.704 -8.099 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.437 2.668 -11.092 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.271 3.777 -10.398 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.351 3.660 -11.561 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.135 4.888 -10.562 1.00 0.00 H new ATOM 990 N ALA A 65 4.530 1.001 -7.534 1.00 0.00 N ATOM 991 CA ALA A 65 5.867 1.145 -7.001 1.00 0.00 C ATOM 992 C ALA A 65 6.762 0.002 -7.404 1.00 0.00 C ATOM 993 O ALA A 65 7.935 0.204 -7.715 1.00 0.00 O ATOM 994 CB ALA A 65 5.899 1.397 -5.488 1.00 0.00 C ATOM 0 H ALA A 65 3.844 0.841 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 65 6.270 2.049 -7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.933 1.495 -5.157 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.357 2.315 -5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.430 0.561 -4.970 1.00 0.00 H new ATOM 1000 N GLY A 66 6.187 -1.222 -7.417 1.00 0.00 N ATOM 1001 CA GLY A 66 6.844 -2.423 -7.889 1.00 0.00 C ATOM 1002 C GLY A 66 6.901 -3.489 -6.843 1.00 0.00 C ATOM 1003 O GLY A 66 7.791 -4.337 -6.891 1.00 0.00 O ATOM 0 H GLY A 66 5.235 -1.386 -7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.316 -2.803 -8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.856 -2.178 -8.210 1.00 0.00 H new ATOM 1007 N MET A 67 5.923 -3.505 -5.891 1.00 0.00 N ATOM 1008 CA MET A 67 5.842 -4.471 -4.789 1.00 0.00 C ATOM 1009 C MET A 67 5.592 -5.866 -5.323 1.00 0.00 C ATOM 1010 O MET A 67 4.960 -6.013 -6.370 1.00 0.00 O ATOM 1011 CB MET A 67 4.717 -4.157 -3.780 1.00 0.00 C ATOM 1012 CG MET A 67 5.035 -3.021 -2.790 1.00 0.00 C ATOM 1013 SD MET A 67 6.155 -3.544 -1.447 1.00 0.00 S ATOM 1014 CE MET A 67 4.977 -4.397 -0.360 1.00 0.00 C ATOM 0 H MET A 67 5.161 -2.827 -5.881 1.00 0.00 H new ATOM 0 HA MET A 67 6.801 -4.403 -4.275 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.815 -3.896 -4.333 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.493 -5.061 -3.214 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.488 -2.190 -3.331 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.105 -2.651 -2.358 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.447 -4.592 0.604 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.097 -3.771 -0.214 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.679 -5.341 -0.816 1.00 0.00 H new ATOM 1024 N ASN A 68 6.087 -6.923 -4.624 1.00 0.00 N ATOM 1025 CA ASN A 68 5.882 -8.275 -5.114 1.00 0.00 C ATOM 1026 C ASN A 68 6.079 -9.195 -3.956 1.00 0.00 C ATOM 1027 O ASN A 68 7.117 -9.206 -3.306 1.00 0.00 O ATOM 1028 CB ASN A 68 6.818 -8.681 -6.296 1.00 0.00 C ATOM 1029 CG ASN A 68 6.187 -9.734 -7.226 1.00 0.00 C ATOM 1030 OD1 ASN A 68 6.644 -10.878 -7.308 1.00 0.00 O ATOM 1031 ND2 ASN A 68 5.107 -9.298 -7.936 1.00 0.00 N ATOM 0 H ASN A 68 6.610 -6.851 -3.752 1.00 0.00 H new ATOM 0 HA ASN A 68 4.875 -8.337 -5.526 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.067 -7.793 -6.877 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.753 -9.072 -5.895 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.630 -9.930 -8.578 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.776 -8.340 -7.824 1.00 0.00 H new ATOM 1038 N LEU A 69 5.075 -10.054 -3.694 1.00 0.00 N ATOM 1039 CA LEU A 69 5.022 -10.970 -2.570 1.00 0.00 C ATOM 1040 C LEU A 69 5.678 -12.297 -2.933 1.00 0.00 C ATOM 1041 O LEU A 69 5.418 -13.354 -2.363 1.00 0.00 O ATOM 1042 CB LEU A 69 3.562 -10.974 -2.040 1.00 0.00 C ATOM 1043 CG LEU A 69 3.025 -12.114 -1.145 1.00 0.00 C ATOM 1044 CD1 LEU A 69 3.711 -12.164 0.229 1.00 0.00 C ATOM 1045 CD2 LEU A 69 1.495 -11.997 -1.026 1.00 0.00 C ATOM 0 H LEU A 69 4.252 -10.121 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 69 5.624 -10.662 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.425 -10.046 -1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.910 -10.923 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 69 3.268 -13.063 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.294 -12.984 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.781 -12.321 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.545 -11.223 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.117 -12.801 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.237 -11.035 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.046 -12.072 -2.017 1.00 0.00 H new ATOM 1057 N GLU A 70 6.619 -12.202 -3.897 1.00 0.00 N ATOM 1058 CA GLU A 70 7.494 -13.210 -4.426 1.00 0.00 C ATOM 1059 C GLU A 70 8.581 -12.404 -5.098 1.00 0.00 C ATOM 1060 O GLU A 70 8.987 -12.667 -6.230 1.00 0.00 O ATOM 1061 CB GLU A 70 6.866 -14.194 -5.444 1.00 0.00 C ATOM 1062 CG GLU A 70 5.711 -15.059 -4.892 1.00 0.00 C ATOM 1063 CD GLU A 70 5.280 -16.119 -5.912 1.00 0.00 C ATOM 1064 OE1 GLU A 70 4.787 -15.729 -7.005 1.00 0.00 O ATOM 1065 OE2 GLU A 70 5.433 -17.332 -5.606 1.00 0.00 O ATOM 0 H GLU A 70 6.783 -11.307 -4.359 1.00 0.00 H new ATOM 0 HA GLU A 70 7.818 -13.869 -3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.497 -13.624 -6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.648 -14.855 -5.817 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.026 -15.545 -3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.862 -14.422 -4.644 1.00 0.00 H new ATOM 1072 N ALA A 71 9.074 -11.379 -4.362 1.00 0.00 N ATOM 1073 CA ALA A 71 10.094 -10.431 -4.769 1.00 0.00 C ATOM 1074 C ALA A 71 11.439 -10.953 -4.309 1.00 0.00 C ATOM 1075 O ALA A 71 11.556 -12.085 -3.840 1.00 0.00 O ATOM 1076 CB ALA A 71 9.869 -9.038 -4.142 1.00 0.00 C ATOM 0 H ALA A 71 8.739 -11.197 -3.416 1.00 0.00 H new ATOM 0 HA ALA A 71 10.051 -10.326 -5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.655 -8.359 -4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.899 -8.651 -4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.894 -9.120 -3.055 1.00 0.00 H new ATOM 1082 N ARG A 72 12.488 -10.109 -4.443 1.00 0.00 N ATOM 1083 CA ARG A 72 13.851 -10.397 -4.058 1.00 0.00 C ATOM 1084 C ARG A 72 14.481 -9.098 -3.507 1.00 0.00 C ATOM 1085 O ARG A 72 15.633 -9.179 -3.002 1.00 0.00 O ATOM 1086 CB ARG A 72 14.698 -11.002 -5.212 1.00 0.00 C ATOM 1087 CG ARG A 72 14.452 -10.436 -6.631 1.00 0.00 C ATOM 1088 CD ARG A 72 14.716 -8.930 -6.799 1.00 0.00 C ATOM 1089 NE ARG A 72 14.526 -8.570 -8.249 1.00 0.00 N ATOM 1090 CZ ARG A 72 14.876 -7.341 -8.748 1.00 0.00 C ATOM 1091 NH1 ARG A 72 15.779 -6.535 -8.116 1.00 0.00 N ATOM 1092 NH2 ARG A 72 14.310 -6.919 -9.917 1.00 0.00 N ATOM 1093 OXT ARG A 72 13.827 -8.022 -3.571 1.00 0.00 O ATOM 0 H ARG A 72 12.382 -9.176 -4.841 1.00 0.00 H new ATOM 0 HA ARG A 72 13.840 -11.167 -3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.751 -10.863 -4.969 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.517 -12.076 -5.239 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.084 -10.978 -7.334 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.418 -10.639 -6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.034 -8.354 -6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.728 -8.685 -6.477 1.00 0.00 H new ATOM 0 HE ARG A 72 14.124 -9.263 -8.881 1.00 0.00 H new ATOM 0 HH11 ARG A 72 16.215 -6.841 -7.246 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.018 -5.626 -8.514 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.640 -7.515 -10.403 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.558 -6.008 -10.304 1.00 0.00 H new TER 1107 ARG A 72 HETATM 1108 ZN ZN A 73 2.989 2.514 4.147 1.00 0.00 ZN HETATM 1109 ZN ZN A 74 -8.935 6.219 -3.682 1.00 0.00 ZN