USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=17 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 61 LYS NZ :NH3+ -132:sc= -0.0846 (180deg=0) USER MOD Set 1.2: A 64 GLN : amide:sc= -0.0814 X(o=-0.17,f=0) USER MOD Set 2.1: A 33 GLN :FLIP amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 13 HIS :FLIP no HE2:sc= -0.365 F(o=-1.2,f=-0.41) USER MOD Set 3.2: A 14 TYR OH : rot 180:sc= -0.0438 USER MOD Single : A 1 LEU N :NH3+ -127:sc= -0.177 (180deg=-2.3!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -52:sc= 0.00577 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.101 F(o=-1.1,f=-0.1) USER MOD Single : A 36 TYR OH : rot 64:sc= 0.954 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 48 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.671) USER MOD Single : A 52 LYS NZ :NH3+ -147:sc= 0.191 (180deg=-0.00382) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot -30:sc= 0.545 USER MOD Single : A 67 MET CE :methyl -163:sc= -1.63 (180deg=-2.02) USER MOD Single : A 68 ASN : amide:sc= -0.153 X(o=-0.15,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.437 5.393 4.828 1.00 0.00 N ATOM 2 CA LEU A 1 10.157 5.938 4.374 1.00 0.00 C ATOM 3 C LEU A 1 9.459 4.960 3.473 1.00 0.00 C ATOM 4 O LEU A 1 10.032 4.454 2.511 1.00 0.00 O ATOM 5 CB LEU A 1 10.345 7.272 3.595 1.00 0.00 C ATOM 6 CG LEU A 1 10.531 8.554 4.451 1.00 0.00 C ATOM 7 CD1 LEU A 1 9.242 8.960 5.192 1.00 0.00 C ATOM 8 CD2 LEU A 1 11.745 8.503 5.395 1.00 0.00 C ATOM 0 H1 LEU A 1 11.485 5.438 5.866 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.522 4.403 4.520 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.215 5.950 4.421 1.00 0.00 H new ATOM 0 HA LEU A 1 9.558 6.126 5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.213 7.168 2.944 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.478 7.415 2.950 1.00 0.00 H new ATOM 0 HG LEU A 1 10.752 9.343 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 1 9.427 9.862 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 1 8.451 9.152 4.467 1.00 0.00 H new ATOM 0 HD13 LEU A 1 8.936 8.153 5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.807 9.434 5.958 1.00 0.00 H new ATOM 0 HD22 LEU A 1 11.634 7.667 6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 1 12.655 8.371 4.810 1.00 0.00 H new ATOM 22 N CYS A 2 8.136 4.750 3.746 1.00 0.00 N ATOM 23 CA CYS A 2 7.138 3.964 3.052 1.00 0.00 C ATOM 24 C CYS A 2 6.979 4.704 1.763 1.00 0.00 C ATOM 25 O CYS A 2 6.938 5.930 1.775 1.00 0.00 O ATOM 26 CB CYS A 2 5.806 3.840 3.852 1.00 0.00 C ATOM 27 SG CYS A 2 4.506 2.895 2.988 1.00 0.00 S ATOM 0 H CYS A 2 7.721 5.195 4.565 1.00 0.00 H new ATOM 0 HA CYS A 2 7.433 2.924 2.911 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.013 3.362 4.810 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.430 4.840 4.069 1.00 0.00 H new ATOM 32 N LEU A 3 6.908 3.980 0.629 1.00 0.00 N ATOM 33 CA LEU A 3 6.868 4.609 -0.663 1.00 0.00 C ATOM 34 C LEU A 3 5.518 4.473 -1.293 1.00 0.00 C ATOM 35 O LEU A 3 5.342 4.600 -2.505 1.00 0.00 O ATOM 36 CB LEU A 3 7.919 3.974 -1.575 1.00 0.00 C ATOM 37 CG LEU A 3 9.363 4.303 -1.131 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.402 3.399 -1.812 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.712 5.792 -1.322 1.00 0.00 C ATOM 0 H LEU A 3 6.878 2.961 0.604 1.00 0.00 H new ATOM 0 HA LEU A 3 7.079 5.670 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.782 2.893 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.768 4.323 -2.597 1.00 0.00 H new ATOM 0 HG LEU A 3 9.402 4.097 -0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.400 3.669 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.200 2.358 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.344 3.528 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.736 5.970 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.616 6.056 -2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.031 6.404 -0.731 1.00 0.00 H new ATOM 51 N VAL A 4 4.532 4.222 -0.425 1.00 0.00 N ATOM 52 CA VAL A 4 3.156 4.000 -0.766 1.00 0.00 C ATOM 53 C VAL A 4 2.311 5.026 -0.100 1.00 0.00 C ATOM 54 O VAL A 4 1.618 5.782 -0.776 1.00 0.00 O ATOM 55 CB VAL A 4 2.679 2.580 -0.373 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.253 2.279 -0.856 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.722 1.530 -0.783 1.00 0.00 C ATOM 0 H VAL A 4 4.699 4.169 0.580 1.00 0.00 H new ATOM 0 HA VAL A 4 3.061 4.083 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 4 2.603 2.532 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.971 1.271 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.561 2.997 -0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.213 2.355 -1.943 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.371 0.538 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.871 1.567 -1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.666 1.738 -0.279 1.00 0.00 H new ATOM 67 N CYS A 5 2.319 5.022 1.251 1.00 0.00 N ATOM 68 CA CYS A 5 1.510 5.919 2.043 1.00 0.00 C ATOM 69 C CYS A 5 2.411 6.927 2.685 1.00 0.00 C ATOM 70 O CYS A 5 2.009 7.610 3.621 1.00 0.00 O ATOM 71 CB CYS A 5 0.527 5.231 3.040 1.00 0.00 C ATOM 72 SG CYS A 5 1.240 4.273 4.436 1.00 0.00 S ATOM 0 H CYS A 5 2.894 4.388 1.806 1.00 0.00 H new ATOM 0 HA CYS A 5 0.819 6.424 1.368 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.117 6.004 3.460 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.113 4.560 2.467 1.00 0.00 H new ATOM 77 N SER A 6 3.650 7.055 2.135 1.00 0.00 N ATOM 78 CA SER A 6 4.626 8.114 2.382 1.00 0.00 C ATOM 79 C SER A 6 4.826 8.510 3.827 1.00 0.00 C ATOM 80 O SER A 6 4.855 9.684 4.192 1.00 0.00 O ATOM 81 CB SER A 6 4.359 9.330 1.468 1.00 0.00 C ATOM 82 OG SER A 6 3.778 8.953 0.223 1.00 0.00 O ATOM 0 H SER A 6 4.001 6.369 1.467 1.00 0.00 H new ATOM 0 HA SER A 6 5.587 7.674 2.117 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.696 10.028 1.980 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.296 9.857 1.285 1.00 0.00 H new ATOM 0 HG SER A 6 3.625 9.753 -0.322 1.00 0.00 H new ATOM 88 N ASP A 7 4.934 7.463 4.664 1.00 0.00 N ATOM 89 CA ASP A 7 4.973 7.520 6.107 1.00 0.00 C ATOM 90 C ASP A 7 6.309 6.923 6.442 1.00 0.00 C ATOM 91 O ASP A 7 6.972 6.412 5.553 1.00 0.00 O ATOM 92 CB ASP A 7 3.790 6.642 6.616 1.00 0.00 C ATOM 93 CG ASP A 7 3.556 6.638 8.134 1.00 0.00 C ATOM 94 OD1 ASP A 7 3.196 7.715 8.681 1.00 0.00 O ATOM 95 OD2 ASP A 7 3.733 5.557 8.757 1.00 0.00 O ATOM 0 H ASP A 7 4.999 6.507 4.315 1.00 0.00 H new ATOM 0 HA ASP A 7 4.870 8.510 6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.876 6.982 6.129 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.961 5.615 6.292 1.00 0.00 H new ATOM 100 N GLU A 8 6.740 6.926 7.730 1.00 0.00 N ATOM 101 CA GLU A 8 8.004 6.363 8.183 1.00 0.00 C ATOM 102 C GLU A 8 7.951 4.852 8.037 1.00 0.00 C ATOM 103 O GLU A 8 7.079 4.213 8.626 1.00 0.00 O ATOM 104 CB GLU A 8 8.391 6.758 9.637 1.00 0.00 C ATOM 105 CG GLU A 8 7.288 7.508 10.421 1.00 0.00 C ATOM 106 CD GLU A 8 7.762 7.856 11.836 1.00 0.00 C ATOM 107 OE1 GLU A 8 7.975 6.910 12.642 1.00 0.00 O ATOM 108 OE2 GLU A 8 7.909 9.074 12.129 1.00 0.00 O ATOM 0 H GLU A 8 6.192 7.334 8.488 1.00 0.00 H new ATOM 0 HA GLU A 8 8.786 6.786 7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.656 5.854 10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.283 7.384 9.603 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.015 8.420 9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.391 6.891 10.475 1.00 0.00 H new ATOM 115 N ALA A 9 8.881 4.257 7.236 1.00 0.00 N ATOM 116 CA ALA A 9 8.922 2.825 6.987 1.00 0.00 C ATOM 117 C ALA A 9 9.649 2.134 8.106 1.00 0.00 C ATOM 118 O ALA A 9 10.425 2.750 8.836 1.00 0.00 O ATOM 119 CB ALA A 9 9.549 2.405 5.641 1.00 0.00 C ATOM 0 H ALA A 9 9.615 4.776 6.754 1.00 0.00 H new ATOM 0 HA ALA A 9 7.877 2.519 6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.531 1.319 5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.980 2.844 4.822 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.580 2.755 5.595 1.00 0.00 H new ATOM 125 N SER A 10 9.376 0.814 8.252 1.00 0.00 N ATOM 126 CA SER A 10 9.922 -0.018 9.294 1.00 0.00 C ATOM 127 C SER A 10 10.485 -1.248 8.624 1.00 0.00 C ATOM 128 O SER A 10 10.258 -2.377 9.060 1.00 0.00 O ATOM 129 CB SER A 10 8.841 -0.353 10.353 1.00 0.00 C ATOM 130 OG SER A 10 9.393 -0.924 11.535 1.00 0.00 O ATOM 0 H SER A 10 8.753 0.309 7.622 1.00 0.00 H new ATOM 0 HA SER A 10 10.715 0.493 9.839 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.297 0.555 10.612 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.118 -1.046 9.922 1.00 0.00 H new ATOM 0 HG SER A 10 9.966 -1.682 11.295 1.00 0.00 H new ATOM 136 N GLY A 11 11.259 -1.025 7.533 1.00 0.00 N ATOM 137 CA GLY A 11 11.934 -2.059 6.780 1.00 0.00 C ATOM 138 C GLY A 11 11.518 -1.974 5.348 1.00 0.00 C ATOM 139 O GLY A 11 10.920 -0.992 4.915 1.00 0.00 O ATOM 0 H GLY A 11 11.422 -0.090 7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.014 -1.941 6.865 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.688 -3.040 7.185 1.00 0.00 H new ATOM 143 N CYS A 12 11.841 -3.040 4.581 1.00 0.00 N ATOM 144 CA CYS A 12 11.525 -3.187 3.180 1.00 0.00 C ATOM 145 C CYS A 12 11.177 -4.641 3.029 1.00 0.00 C ATOM 146 O CYS A 12 11.886 -5.500 3.556 1.00 0.00 O ATOM 147 CB CYS A 12 12.684 -2.783 2.219 1.00 0.00 C ATOM 148 SG CYS A 12 14.348 -3.433 2.638 1.00 0.00 S ATOM 0 H CYS A 12 12.349 -3.842 4.955 1.00 0.00 H new ATOM 0 HA CYS A 12 10.715 -2.514 2.899 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.428 -3.118 1.214 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.739 -1.695 2.187 1.00 0.00 H new ATOM 0 HG CYS A 12 15.210 -3.021 1.756 1.00 0.00 H new ATOM 154 N HIS A 13 10.066 -4.964 2.316 1.00 0.00 N ATOM 155 CA HIS A 13 9.681 -6.344 2.127 1.00 0.00 C ATOM 156 C HIS A 13 8.700 -6.373 0.996 1.00 0.00 C ATOM 157 O HIS A 13 7.812 -5.528 0.904 1.00 0.00 O ATOM 158 CB HIS A 13 9.094 -7.026 3.391 1.00 0.00 C ATOM 159 CG HIS A 13 9.091 -8.537 3.370 1.00 0.00 C ATOM 160 ND1 HIS A 13 8.124 -9.391 3.797 1.00 0.00 N flip ATOM 161 CD2 HIS A 13 10.222 -9.246 2.991 1.00 0.00 C flip ATOM 162 CE1 HIS A 13 8.648 -10.657 3.672 1.00 0.00 C flip ATOM 163 NE2 HIS A 13 9.905 -10.511 3.184 1.00 0.00 N flip ATOM 0 H HIS A 13 9.445 -4.283 1.878 1.00 0.00 H new ATOM 0 HA HIS A 13 10.577 -6.923 1.905 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.662 -6.693 4.260 1.00 0.00 H new ATOM 0 HB3 HIS A 13 8.070 -6.679 3.528 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.196 -9.143 4.141 1.00 0.00 H new ATOM 0 HD2 HIS A 13 11.155 -8.849 2.620 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.154 -11.586 3.915 1.00 0.00 H new ATOM 171 N TYR A 14 8.889 -7.374 0.092 1.00 0.00 N ATOM 172 CA TYR A 14 8.167 -7.640 -1.149 1.00 0.00 C ATOM 173 C TYR A 14 8.759 -6.777 -2.233 1.00 0.00 C ATOM 174 O TYR A 14 8.159 -6.453 -3.248 1.00 0.00 O ATOM 175 CB TYR A 14 6.629 -7.621 -1.119 1.00 0.00 C ATOM 176 CG TYR A 14 6.132 -8.436 0.052 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.463 -9.781 0.315 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.320 -7.780 0.958 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.032 -10.416 1.487 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.862 -8.402 2.118 1.00 0.00 C ATOM 181 CZ TYR A 14 5.226 -9.722 2.393 1.00 0.00 C ATOM 182 OH TYR A 14 4.813 -10.329 3.597 1.00 0.00 O ATOM 0 H TYR A 14 9.621 -8.069 0.243 1.00 0.00 H new ATOM 0 HA TYR A 14 8.322 -8.699 -1.356 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.270 -6.595 -1.039 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.233 -8.026 -2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.059 -10.331 -0.399 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.033 -6.758 0.762 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.321 -11.437 1.689 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.226 -7.863 2.804 1.00 0.00 H new ATOM 0 HH TYR A 14 4.259 -9.701 4.106 1.00 0.00 H new ATOM 192 N GLY A 15 10.024 -6.428 -1.992 1.00 0.00 N ATOM 193 CA GLY A 15 10.943 -5.757 -2.879 1.00 0.00 C ATOM 194 C GLY A 15 11.113 -4.285 -2.663 1.00 0.00 C ATOM 195 O GLY A 15 12.073 -3.721 -3.191 1.00 0.00 O ATOM 0 H GLY A 15 10.457 -6.630 -1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.919 -6.232 -2.785 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.608 -5.917 -3.904 1.00 0.00 H new ATOM 199 N VAL A 16 10.210 -3.613 -1.901 1.00 0.00 N ATOM 200 CA VAL A 16 10.229 -2.167 -1.787 1.00 0.00 C ATOM 201 C VAL A 16 10.180 -1.775 -0.342 1.00 0.00 C ATOM 202 O VAL A 16 9.633 -2.484 0.500 1.00 0.00 O ATOM 203 CB VAL A 16 9.018 -1.509 -2.511 1.00 0.00 C ATOM 204 CG1 VAL A 16 9.139 0.000 -2.762 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.663 -2.185 -3.843 1.00 0.00 C ATOM 0 H VAL A 16 9.470 -4.066 -1.366 1.00 0.00 H new ATOM 0 HA VAL A 16 11.149 -1.818 -2.257 1.00 0.00 H new ATOM 0 HB VAL A 16 8.218 -1.663 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.244 0.357 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.247 0.520 -1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.012 0.197 -3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.811 -1.676 -4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.517 -2.130 -4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.409 -3.230 -3.664 1.00 0.00 H new ATOM 215 N LEU A 17 10.689 -0.542 -0.093 1.00 0.00 N ATOM 216 CA LEU A 17 10.767 0.179 1.162 1.00 0.00 C ATOM 217 C LEU A 17 9.364 0.645 1.482 1.00 0.00 C ATOM 218 O LEU A 17 8.902 1.654 0.952 1.00 0.00 O ATOM 219 CB LEU A 17 11.778 1.351 1.075 1.00 0.00 C ATOM 220 CG LEU A 17 12.224 1.987 2.415 1.00 0.00 C ATOM 221 CD1 LEU A 17 13.099 1.043 3.259 1.00 0.00 C ATOM 222 CD2 LEU A 17 12.959 3.320 2.180 1.00 0.00 C ATOM 0 H LEU A 17 11.089 0.009 -0.853 1.00 0.00 H new ATOM 0 HA LEU A 17 11.138 -0.460 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.667 0.995 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.339 2.134 0.457 1.00 0.00 H new ATOM 0 HG LEU A 17 11.312 2.178 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.382 1.541 4.186 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.539 0.137 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.997 0.781 2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.260 3.743 3.138 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.843 3.145 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.295 4.017 1.668 1.00 0.00 H new ATOM 234 N THR A 18 8.658 -0.124 2.338 1.00 0.00 N ATOM 235 CA THR A 18 7.278 0.096 2.710 1.00 0.00 C ATOM 236 C THR A 18 7.252 0.129 4.193 1.00 0.00 C ATOM 237 O THR A 18 8.236 -0.202 4.850 1.00 0.00 O ATOM 238 CB THR A 18 6.337 -1.077 2.266 1.00 0.00 C ATOM 239 OG1 THR A 18 7.022 -2.328 2.240 1.00 0.00 O ATOM 240 CG2 THR A 18 5.682 -0.827 0.911 1.00 0.00 C ATOM 0 H THR A 18 9.064 -0.940 2.796 1.00 0.00 H new ATOM 0 HA THR A 18 6.927 1.011 2.232 1.00 0.00 H new ATOM 0 HB THR A 18 5.550 -1.119 3.019 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.403 -3.034 1.960 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.042 -1.671 0.655 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.082 0.082 0.959 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.453 -0.712 0.150 1.00 0.00 H new ATOM 248 N CYS A 19 6.074 0.499 4.762 1.00 0.00 N ATOM 249 CA CYS A 19 5.898 0.592 6.198 1.00 0.00 C ATOM 250 C CYS A 19 5.643 -0.798 6.756 1.00 0.00 C ATOM 251 O CYS A 19 5.836 -1.807 6.076 1.00 0.00 O ATOM 252 CB CYS A 19 4.899 1.665 6.734 1.00 0.00 C ATOM 253 SG CYS A 19 3.144 1.546 6.242 1.00 0.00 S ATOM 0 H CYS A 19 5.239 0.735 4.226 1.00 0.00 H new ATOM 0 HA CYS A 19 6.837 0.991 6.581 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.940 1.641 7.823 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.265 2.643 6.422 1.00 0.00 H new ATOM 258 N GLY A 20 5.186 -0.869 8.027 1.00 0.00 N ATOM 259 CA GLY A 20 4.881 -2.106 8.712 1.00 0.00 C ATOM 260 C GLY A 20 3.567 -2.641 8.218 1.00 0.00 C ATOM 261 O GLY A 20 3.443 -3.829 7.940 1.00 0.00 O ATOM 0 H GLY A 20 5.022 -0.041 8.600 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.672 -2.836 8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 20 4.836 -1.937 9.788 1.00 0.00 H new ATOM 265 N SER A 21 2.584 -1.726 8.033 1.00 0.00 N ATOM 266 CA SER A 21 1.225 -2.015 7.621 1.00 0.00 C ATOM 267 C SER A 21 1.089 -2.369 6.152 1.00 0.00 C ATOM 268 O SER A 21 0.304 -3.256 5.840 1.00 0.00 O ATOM 269 CB SER A 21 0.277 -0.846 7.975 1.00 0.00 C ATOM 270 OG SER A 21 -1.098 -1.213 7.926 1.00 0.00 O ATOM 0 H SER A 21 2.743 -0.729 8.178 1.00 0.00 H new ATOM 0 HA SER A 21 0.936 -2.904 8.181 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.515 -0.482 8.974 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.452 -0.021 7.285 1.00 0.00 H new ATOM 0 HG SER A 21 -1.652 -0.439 8.159 1.00 0.00 H new ATOM 276 N CYS A 22 1.847 -1.699 5.224 1.00 0.00 N ATOM 277 CA CYS A 22 1.775 -1.860 3.764 1.00 0.00 C ATOM 278 C CYS A 22 2.248 -3.214 3.322 1.00 0.00 C ATOM 279 O CYS A 22 1.838 -3.717 2.279 1.00 0.00 O ATOM 280 CB CYS A 22 2.457 -0.751 2.937 1.00 0.00 C ATOM 281 SG CYS A 22 1.430 0.758 2.970 1.00 0.00 S ATOM 0 H CYS A 22 2.546 -1.010 5.502 1.00 0.00 H new ATOM 0 HA CYS A 22 0.711 -1.763 3.550 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.447 -0.538 3.342 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.598 -1.085 1.909 1.00 0.00 H new ATOM 286 N LYS A 23 3.069 -3.849 4.185 1.00 0.00 N ATOM 287 CA LYS A 23 3.601 -5.183 4.066 1.00 0.00 C ATOM 288 C LYS A 23 2.468 -6.187 4.193 1.00 0.00 C ATOM 289 O LYS A 23 2.163 -6.942 3.273 1.00 0.00 O ATOM 290 CB LYS A 23 4.711 -5.429 5.115 1.00 0.00 C ATOM 291 CG LYS A 23 5.504 -6.746 4.987 1.00 0.00 C ATOM 292 CD LYS A 23 6.597 -6.904 6.064 1.00 0.00 C ATOM 293 CE LYS A 23 6.043 -6.983 7.497 1.00 0.00 C ATOM 294 NZ LYS A 23 7.111 -7.240 8.460 1.00 0.00 N ATOM 0 H LYS A 23 3.388 -3.391 5.039 1.00 0.00 H new ATOM 0 HA LYS A 23 4.062 -5.306 3.086 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.417 -4.600 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.256 -5.400 6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.813 -7.587 5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.966 -6.790 4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.173 -7.806 5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.287 -6.063 5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.540 -6.049 7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.296 -7.774 7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.710 -7.289 9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.574 -8.143 8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.810 -6.472 8.416 1.00 0.00 H new ATOM 308 N VAL A 24 1.789 -6.145 5.362 1.00 0.00 N ATOM 309 CA VAL A 24 0.703 -7.013 5.801 1.00 0.00 C ATOM 310 C VAL A 24 -0.532 -6.860 4.958 1.00 0.00 C ATOM 311 O VAL A 24 -1.236 -7.828 4.672 1.00 0.00 O ATOM 312 CB VAL A 24 0.345 -6.774 7.300 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.690 -7.767 7.868 1.00 0.00 C ATOM 314 CG2 VAL A 24 1.598 -6.733 8.196 1.00 0.00 C ATOM 0 H VAL A 24 2.013 -5.444 6.069 1.00 0.00 H new ATOM 0 HA VAL A 24 1.070 -8.032 5.682 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.129 -5.792 7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.883 -7.532 8.915 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.618 -7.689 7.301 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.301 -8.782 7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.300 -6.564 9.231 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.130 -7.682 8.121 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.252 -5.924 7.870 1.00 0.00 H new ATOM 324 N PHE A 25 -0.771 -5.600 4.539 1.00 0.00 N ATOM 325 CA PHE A 25 -1.814 -5.093 3.684 1.00 0.00 C ATOM 326 C PHE A 25 -1.775 -5.807 2.372 1.00 0.00 C ATOM 327 O PHE A 25 -2.747 -6.431 1.975 1.00 0.00 O ATOM 328 CB PHE A 25 -1.573 -3.581 3.441 1.00 0.00 C ATOM 329 CG PHE A 25 -2.473 -2.932 2.418 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.847 -2.718 2.616 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.903 -2.631 1.171 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.635 -2.213 1.571 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.685 -2.134 0.134 1.00 0.00 C ATOM 334 CZ PHE A 25 -4.055 -1.926 0.326 1.00 0.00 C ATOM 0 H PHE A 25 -0.156 -4.843 4.838 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.784 -5.249 4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.692 -3.056 4.389 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.538 -3.442 3.128 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.297 -2.942 3.572 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.846 -2.787 1.015 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.691 -2.045 1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.234 -1.908 -0.821 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.664 -1.546 -0.481 1.00 0.00 H new ATOM 344 N PHE A 26 -0.591 -5.706 1.728 1.00 0.00 N ATOM 345 CA PHE A 26 -0.237 -6.206 0.423 1.00 0.00 C ATOM 346 C PHE A 26 -0.298 -7.709 0.355 1.00 0.00 C ATOM 347 O PHE A 26 -0.801 -8.273 -0.604 1.00 0.00 O ATOM 348 CB PHE A 26 1.143 -5.657 -0.014 1.00 0.00 C ATOM 349 CG PHE A 26 1.568 -6.083 -1.397 1.00 0.00 C ATOM 350 CD1 PHE A 26 0.893 -5.630 -2.544 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.661 -6.946 -1.552 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.329 -6.004 -3.822 1.00 0.00 C ATOM 353 CE2 PHE A 26 3.102 -7.310 -2.823 1.00 0.00 C ATOM 354 CZ PHE A 26 2.436 -6.851 -3.963 1.00 0.00 C ATOM 0 H PHE A 26 0.196 -5.227 2.165 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.980 -5.842 -0.286 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.118 -4.568 0.027 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.896 -5.986 0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.031 -4.988 -2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.166 -7.332 -0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.812 -5.640 -4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.965 -7.951 -2.928 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.772 -7.147 -4.946 1.00 0.00 H new ATOM 364 N LYS A 27 0.174 -8.394 1.412 1.00 0.00 N ATOM 365 CA LYS A 27 0.224 -9.848 1.520 1.00 0.00 C ATOM 366 C LYS A 27 -1.180 -10.439 1.560 1.00 0.00 C ATOM 367 O LYS A 27 -1.409 -11.533 1.044 1.00 0.00 O ATOM 368 CB LYS A 27 1.150 -10.327 2.669 1.00 0.00 C ATOM 369 CG LYS A 27 1.232 -11.856 2.894 1.00 0.00 C ATOM 370 CD LYS A 27 1.952 -12.290 4.187 1.00 0.00 C ATOM 371 CE LYS A 27 1.288 -11.771 5.476 1.00 0.00 C ATOM 372 NZ LYS A 27 1.914 -12.346 6.665 1.00 0.00 N ATOM 0 H LYS A 27 0.542 -7.926 2.240 1.00 0.00 H new ATOM 0 HA LYS A 27 0.692 -10.239 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.156 -9.956 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.813 -9.863 3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.220 -12.260 2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.744 -12.306 2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.989 -13.379 4.222 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.983 -11.937 4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.362 -10.684 5.513 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.226 -12.018 5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.445 -11.977 7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.822 -13.382 6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.921 -12.089 6.686 1.00 0.00 H new ATOM 386 N ARG A 28 -2.154 -9.681 2.133 1.00 0.00 N ATOM 387 CA ARG A 28 -3.557 -10.045 2.195 1.00 0.00 C ATOM 388 C ARG A 28 -4.265 -9.630 0.935 1.00 0.00 C ATOM 389 O ARG A 28 -5.084 -10.368 0.405 1.00 0.00 O ATOM 390 CB ARG A 28 -4.285 -9.405 3.403 1.00 0.00 C ATOM 391 CG ARG A 28 -4.542 -10.393 4.553 1.00 0.00 C ATOM 392 CD ARG A 28 -3.260 -10.951 5.204 1.00 0.00 C ATOM 393 NE ARG A 28 -3.612 -11.864 6.355 1.00 0.00 N ATOM 394 CZ ARG A 28 -4.084 -11.397 7.557 1.00 0.00 C ATOM 395 NH1 ARG A 28 -3.843 -10.121 7.978 1.00 0.00 N ATOM 396 NH2 ARG A 28 -4.804 -12.240 8.356 1.00 0.00 N ATOM 0 H ARG A 28 -1.958 -8.780 2.570 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.587 -11.128 2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.691 -8.571 3.776 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.237 -8.993 3.068 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.138 -9.896 5.318 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.137 -11.225 4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.676 -11.497 4.463 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.637 -10.130 5.559 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.494 -12.870 6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.299 -9.486 7.394 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.207 -9.803 8.876 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.983 -13.198 8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.163 -11.911 9.252 1.00 0.00 H new ATOM 410 N ALA A 29 -3.924 -8.431 0.425 1.00 0.00 N ATOM 411 CA ALA A 29 -4.502 -7.734 -0.710 1.00 0.00 C ATOM 412 C ALA A 29 -4.222 -8.383 -2.041 1.00 0.00 C ATOM 413 O ALA A 29 -4.862 -8.067 -3.043 1.00 0.00 O ATOM 414 CB ALA A 29 -3.987 -6.292 -0.787 1.00 0.00 C ATOM 0 H ALA A 29 -3.169 -7.888 0.844 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.577 -7.769 -0.533 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.435 -5.791 -1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.257 -5.760 0.125 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.902 -6.298 -0.896 1.00 0.00 H new ATOM 420 N VAL A 30 -3.240 -9.308 -2.052 1.00 0.00 N ATOM 421 CA VAL A 30 -2.779 -10.033 -3.206 1.00 0.00 C ATOM 422 C VAL A 30 -3.338 -11.430 -3.114 1.00 0.00 C ATOM 423 O VAL A 30 -4.292 -11.776 -3.810 1.00 0.00 O ATOM 424 CB VAL A 30 -1.222 -10.030 -3.302 1.00 0.00 C ATOM 425 CG1 VAL A 30 -0.675 -10.911 -4.436 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.626 -8.617 -3.440 1.00 0.00 C ATOM 0 H VAL A 30 -2.736 -9.567 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.129 -9.553 -4.120 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.905 -10.456 -2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.414 -10.861 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.990 -11.943 -4.279 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.061 -10.555 -5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.460 -8.685 -3.502 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.012 -8.146 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.903 -8.019 -2.572 1.00 0.00 H new ATOM 436 N GLU A 31 -2.710 -12.260 -2.248 1.00 0.00 N ATOM 437 CA GLU A 31 -2.995 -13.669 -2.063 1.00 0.00 C ATOM 438 C GLU A 31 -3.821 -13.839 -0.820 1.00 0.00 C ATOM 439 O GLU A 31 -3.448 -14.545 0.119 1.00 0.00 O ATOM 440 CB GLU A 31 -1.721 -14.549 -1.984 1.00 0.00 C ATOM 441 CG GLU A 31 -0.832 -14.455 -3.244 1.00 0.00 C ATOM 442 CD GLU A 31 0.291 -15.497 -3.226 1.00 0.00 C ATOM 443 OE1 GLU A 31 -0.025 -16.714 -3.309 1.00 0.00 O ATOM 444 OE2 GLU A 31 1.480 -15.087 -3.139 1.00 0.00 O ATOM 0 H GLU A 31 -1.959 -11.933 -1.640 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.543 -14.010 -2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.137 -14.252 -1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.015 -15.588 -1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.446 -14.597 -4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.400 -13.456 -3.311 1.00 0.00 H new ATOM 451 N GLY A 32 -5.002 -13.192 -0.824 1.00 0.00 N ATOM 452 CA GLY A 32 -5.921 -13.296 0.291 1.00 0.00 C ATOM 453 C GLY A 32 -7.238 -12.664 -0.032 1.00 0.00 C ATOM 454 O GLY A 32 -7.783 -12.850 -1.119 1.00 0.00 O ATOM 0 H GLY A 32 -5.327 -12.599 -1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.071 -14.345 0.545 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.489 -12.814 1.168 1.00 0.00 H new ATOM 458 N GLN A 33 -7.776 -11.896 0.952 1.00 0.00 N ATOM 459 CA GLN A 33 -9.035 -11.203 0.917 1.00 0.00 C ATOM 460 C GLN A 33 -8.683 -9.742 0.832 1.00 0.00 C ATOM 461 O GLN A 33 -7.835 -9.255 1.581 1.00 0.00 O ATOM 462 CB GLN A 33 -9.819 -11.522 2.214 1.00 0.00 C ATOM 463 CG GLN A 33 -11.134 -10.754 2.458 1.00 0.00 C ATOM 464 CD GLN A 33 -12.198 -11.089 1.402 1.00 0.00 C ATOM 465 OE1 GLN A 33 -12.620 -10.053 0.616 1.00 0.00 O flip ATOM 466 NE2 GLN A 33 -12.628 -12.244 1.292 1.00 0.00 N flip ATOM 0 H GLN A 33 -7.288 -11.753 1.836 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.664 -11.498 0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.047 -12.588 2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.158 -11.336 3.061 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.517 -10.997 3.449 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.936 -9.682 2.446 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.277 -12.979 1.906 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.333 -12.461 0.587 1.00 0.00 H new ATOM 475 N HIS A 34 -9.339 -9.021 -0.113 1.00 0.00 N ATOM 476 CA HIS A 34 -9.099 -7.621 -0.387 1.00 0.00 C ATOM 477 C HIS A 34 -10.446 -6.963 -0.461 1.00 0.00 C ATOM 478 O HIS A 34 -11.362 -7.481 -1.099 1.00 0.00 O ATOM 479 CB HIS A 34 -8.322 -7.348 -1.704 1.00 0.00 C ATOM 480 CG HIS A 34 -7.973 -8.584 -2.486 1.00 0.00 C ATOM 481 ND1 HIS A 34 -7.238 -9.650 -2.076 1.00 0.00 N flip ATOM 482 CD2 HIS A 34 -8.357 -8.740 -3.807 1.00 0.00 C flip ATOM 483 CE1 HIS A 34 -7.161 -10.498 -3.155 1.00 0.00 C flip ATOM 484 NE2 HIS A 34 -7.847 -9.904 -4.165 1.00 0.00 N flip ATOM 0 H HIS A 34 -10.062 -9.426 -0.708 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.467 -7.224 0.407 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -8.920 -6.690 -2.335 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.403 -6.812 -1.465 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.943 -8.062 -4.410 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.654 -11.451 -3.192 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -7.956 -10.311 -5.094 1.00 0.00 H new ATOM 492 N ASN A 35 -10.581 -5.784 0.192 1.00 0.00 N ATOM 493 CA ASN A 35 -11.796 -4.999 0.185 1.00 0.00 C ATOM 494 C ASN A 35 -11.386 -3.621 0.636 1.00 0.00 C ATOM 495 O ASN A 35 -11.069 -3.398 1.804 1.00 0.00 O ATOM 496 CB ASN A 35 -13.010 -5.561 1.001 1.00 0.00 C ATOM 497 CG ASN A 35 -12.709 -5.993 2.455 1.00 0.00 C ATOM 498 OD1 ASN A 35 -12.936 -5.221 3.394 1.00 0.00 O ATOM 499 ND2 ASN A 35 -12.205 -7.252 2.624 1.00 0.00 N ATOM 0 H ASN A 35 -9.829 -5.364 0.739 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.209 -5.015 -0.824 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.790 -4.800 1.023 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.416 -6.419 0.465 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.997 -7.597 3.561 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.037 -7.847 1.813 1.00 0.00 H new ATOM 506 N TYR A 36 -11.384 -2.654 -0.313 1.00 0.00 N ATOM 507 CA TYR A 36 -11.031 -1.281 -0.057 1.00 0.00 C ATOM 508 C TYR A 36 -11.939 -0.484 -0.967 1.00 0.00 C ATOM 509 O TYR A 36 -12.670 0.386 -0.496 1.00 0.00 O ATOM 510 CB TYR A 36 -9.526 -0.952 -0.260 1.00 0.00 C ATOM 511 CG TYR A 36 -8.744 -2.024 -0.998 1.00 0.00 C ATOM 512 CD1 TYR A 36 -8.775 -2.102 -2.403 1.00 0.00 C ATOM 513 CD2 TYR A 36 -7.952 -2.952 -0.292 1.00 0.00 C ATOM 514 CE1 TYR A 36 -8.033 -3.071 -3.086 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.215 -3.929 -0.972 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.254 -3.987 -2.372 1.00 0.00 C ATOM 517 OH TYR A 36 -6.513 -4.967 -3.068 1.00 0.00 O ATOM 0 H TYR A 36 -11.635 -2.833 -1.285 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.173 -1.033 0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.442 -0.015 -0.810 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.067 -0.791 0.715 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.380 -1.404 -2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.913 -2.909 0.786 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.062 -3.112 -4.165 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.617 -4.638 -0.418 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.829 -4.531 -3.618 1.00 0.00 H new ATOM 527 N LEU A 37 -11.917 -0.790 -2.294 1.00 0.00 N ATOM 528 CA LEU A 37 -12.745 -0.238 -3.363 1.00 0.00 C ATOM 529 C LEU A 37 -12.491 1.221 -3.699 1.00 0.00 C ATOM 530 O LEU A 37 -12.756 2.109 -2.889 1.00 0.00 O ATOM 531 CB LEU A 37 -14.283 -0.419 -3.201 1.00 0.00 C ATOM 532 CG LEU A 37 -14.824 -1.867 -3.060 1.00 0.00 C ATOM 533 CD1 LEU A 37 -14.220 -2.855 -4.074 1.00 0.00 C ATOM 534 CD2 LEU A 37 -14.777 -2.409 -1.620 1.00 0.00 C ATOM 0 H LEU A 37 -11.263 -1.485 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.405 -0.864 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.597 0.144 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.768 0.039 -4.063 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.881 -1.783 -3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.645 -3.846 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.447 -2.521 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.139 -2.898 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.171 -3.425 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.746 -2.413 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.381 -1.773 -0.972 1.00 0.00 H new ATOM 546 N CYS A 38 -12.004 1.489 -4.940 1.00 0.00 N ATOM 547 CA CYS A 38 -11.798 2.822 -5.478 1.00 0.00 C ATOM 548 C CYS A 38 -11.463 2.608 -6.924 1.00 0.00 C ATOM 549 O CYS A 38 -10.510 3.149 -7.483 1.00 0.00 O ATOM 550 CB CYS A 38 -10.708 3.645 -4.763 1.00 0.00 C ATOM 551 SG CYS A 38 -10.809 5.454 -4.904 1.00 0.00 S ATOM 0 H CYS A 38 -11.743 0.752 -5.595 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.696 3.422 -5.330 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -10.729 3.387 -3.704 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.739 3.329 -5.149 1.00 0.00 H new ATOM 556 N ALA A 39 -12.325 1.791 -7.545 1.00 0.00 N ATOM 557 CA ALA A 39 -12.314 1.388 -8.925 1.00 0.00 C ATOM 558 C ALA A 39 -13.279 2.243 -9.702 1.00 0.00 C ATOM 559 O ALA A 39 -13.248 2.275 -10.932 1.00 0.00 O ATOM 560 CB ALA A 39 -12.724 -0.082 -9.075 1.00 0.00 C ATOM 0 H ALA A 39 -13.104 1.371 -7.038 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.301 1.510 -9.308 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.707 -0.359 -10.129 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.027 -0.712 -8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.730 -0.221 -8.680 1.00 0.00 H new ATOM 566 N GLY A 40 -14.154 2.964 -8.962 1.00 0.00 N ATOM 567 CA GLY A 40 -15.191 3.821 -9.490 1.00 0.00 C ATOM 568 C GLY A 40 -14.764 5.259 -9.539 1.00 0.00 C ATOM 569 O GLY A 40 -15.385 6.046 -10.254 1.00 0.00 O ATOM 0 H GLY A 40 -14.139 2.950 -7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.460 3.489 -10.493 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.085 3.730 -8.873 1.00 0.00 H new ATOM 573 N ARG A 41 -13.696 5.642 -8.783 1.00 0.00 N ATOM 574 CA ARG A 41 -13.192 6.993 -8.742 1.00 0.00 C ATOM 575 C ARG A 41 -11.772 6.939 -9.209 1.00 0.00 C ATOM 576 O ARG A 41 -11.485 7.228 -10.369 1.00 0.00 O ATOM 577 CB ARG A 41 -13.303 7.666 -7.351 1.00 0.00 C ATOM 578 CG ARG A 41 -14.748 7.910 -6.860 1.00 0.00 C ATOM 579 CD ARG A 41 -15.632 8.783 -7.775 1.00 0.00 C ATOM 580 NE ARG A 41 -15.037 10.165 -7.884 1.00 0.00 N ATOM 581 CZ ARG A 41 -15.703 11.213 -8.466 1.00 0.00 C ATOM 582 NH1 ARG A 41 -17.053 11.195 -8.665 1.00 0.00 N ATOM 583 NH2 ARG A 41 -14.991 12.314 -8.854 1.00 0.00 N ATOM 0 H ARG A 41 -13.176 4.996 -8.190 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.806 7.619 -9.390 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.787 7.044 -6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.779 8.621 -7.383 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -15.235 6.944 -6.731 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.703 8.378 -5.877 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -15.709 8.330 -8.763 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -16.643 8.842 -7.372 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.102 10.326 -7.510 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.600 10.384 -8.377 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.515 11.993 -9.101 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.982 12.346 -8.709 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.469 13.103 -9.289 1.00 0.00 H new ATOM 597 N ASN A 42 -10.850 6.589 -8.277 1.00 0.00 N ATOM 598 CA ASN A 42 -9.405 6.507 -8.428 1.00 0.00 C ATOM 599 C ASN A 42 -8.902 7.935 -8.591 1.00 0.00 C ATOM 600 O ASN A 42 -8.312 8.291 -9.612 1.00 0.00 O ATOM 601 CB ASN A 42 -8.926 5.522 -9.547 1.00 0.00 C ATOM 602 CG ASN A 42 -7.393 5.320 -9.611 1.00 0.00 C ATOM 603 OD1 ASN A 42 -6.728 5.245 -8.572 1.00 0.00 O ATOM 604 ND2 ASN A 42 -6.845 5.221 -10.861 1.00 0.00 N ATOM 0 H ASN A 42 -11.138 6.340 -7.331 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.964 6.055 -7.540 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.401 4.554 -9.389 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.272 5.893 -10.512 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.841 5.078 -10.968 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.441 5.290 -11.686 1.00 0.00 H new ATOM 611 N ASP A 43 -9.173 8.786 -7.570 1.00 0.00 N ATOM 612 CA ASP A 43 -8.769 10.178 -7.555 1.00 0.00 C ATOM 613 C ASP A 43 -7.725 10.444 -6.522 1.00 0.00 C ATOM 614 O ASP A 43 -6.729 11.107 -6.807 1.00 0.00 O ATOM 615 CB ASP A 43 -9.909 11.212 -7.271 1.00 0.00 C ATOM 616 CG ASP A 43 -11.145 10.748 -6.475 1.00 0.00 C ATOM 617 OD1 ASP A 43 -10.992 10.145 -5.384 1.00 0.00 O ATOM 618 OD2 ASP A 43 -12.272 11.041 -6.956 1.00 0.00 O ATOM 0 H ASP A 43 -9.685 8.503 -6.734 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.406 10.321 -8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.467 12.053 -6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.257 11.593 -8.231 1.00 0.00 H new ATOM 623 N CYS A 44 -7.968 9.963 -5.284 1.00 0.00 N ATOM 624 CA CYS A 44 -7.231 10.240 -4.092 1.00 0.00 C ATOM 625 C CYS A 44 -5.754 9.911 -4.135 1.00 0.00 C ATOM 626 O CYS A 44 -5.327 8.931 -4.746 1.00 0.00 O ATOM 627 CB CYS A 44 -7.851 9.537 -2.831 1.00 0.00 C ATOM 628 SG CYS A 44 -9.280 8.422 -3.107 1.00 0.00 S ATOM 0 H CYS A 44 -8.747 9.328 -5.109 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.313 11.324 -4.016 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.063 8.962 -2.344 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.159 10.313 -2.130 1.00 0.00 H new ATOM 633 N ILE A 45 -4.957 10.759 -3.432 1.00 0.00 N ATOM 634 CA ILE A 45 -3.526 10.619 -3.240 1.00 0.00 C ATOM 635 C ILE A 45 -3.438 9.832 -1.959 1.00 0.00 C ATOM 636 O ILE A 45 -4.329 9.898 -1.115 1.00 0.00 O ATOM 637 CB ILE A 45 -2.758 11.975 -3.144 1.00 0.00 C ATOM 638 CG1 ILE A 45 -3.019 12.864 -4.387 1.00 0.00 C ATOM 639 CG2 ILE A 45 -1.238 11.835 -2.873 1.00 0.00 C ATOM 640 CD1 ILE A 45 -2.548 12.272 -5.726 1.00 0.00 C ATOM 0 H ILE A 45 -5.331 11.589 -2.972 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.049 10.135 -4.092 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.168 12.468 -2.263 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.088 13.064 -4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.524 13.824 -4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.785 12.825 -2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.083 11.316 -1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.776 11.266 -3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.776 12.969 -6.532 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.472 12.099 -5.689 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.061 11.328 -5.907 1.00 0.00 H new ATOM 652 N ILE A 46 -2.359 9.037 -1.822 1.00 0.00 N ATOM 653 CA ILE A 46 -2.156 8.135 -0.722 1.00 0.00 C ATOM 654 C ILE A 46 -0.862 8.557 -0.135 1.00 0.00 C ATOM 655 O ILE A 46 0.210 8.370 -0.712 1.00 0.00 O ATOM 656 CB ILE A 46 -2.177 6.679 -1.251 1.00 0.00 C ATOM 657 CG1 ILE A 46 -3.601 6.330 -1.743 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.619 5.558 -0.350 1.00 0.00 C ATOM 659 CD1 ILE A 46 -4.671 6.213 -0.641 1.00 0.00 C ATOM 0 H ILE A 46 -1.598 9.020 -2.501 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.930 8.165 0.045 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.449 6.696 -2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.918 7.093 -2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.558 5.386 -2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.706 4.601 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.570 5.757 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.186 5.523 0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.632 5.966 -1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.387 5.429 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.752 7.162 -0.111 1.00 0.00 H new ATOM 671 N ASP A 47 -0.978 9.173 1.057 1.00 0.00 N ATOM 672 CA ASP A 47 0.137 9.626 1.828 1.00 0.00 C ATOM 673 C ASP A 47 -0.318 9.529 3.262 1.00 0.00 C ATOM 674 O ASP A 47 -1.398 9.013 3.537 1.00 0.00 O ATOM 675 CB ASP A 47 0.759 10.981 1.399 1.00 0.00 C ATOM 676 CG ASP A 47 -0.185 12.187 1.479 1.00 0.00 C ATOM 677 OD1 ASP A 47 -0.874 12.464 0.462 1.00 0.00 O ATOM 678 OD2 ASP A 47 -0.222 12.844 2.554 1.00 0.00 O ATOM 0 H ASP A 47 -1.879 9.361 1.497 1.00 0.00 H new ATOM 0 HA ASP A 47 1.009 8.996 1.655 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.628 11.178 2.026 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.119 10.889 0.374 1.00 0.00 H new ATOM 683 N LYS A 48 0.512 10.050 4.202 1.00 0.00 N ATOM 684 CA LYS A 48 0.390 9.964 5.646 1.00 0.00 C ATOM 685 C LYS A 48 -0.691 10.800 6.304 1.00 0.00 C ATOM 686 O LYS A 48 -0.659 11.056 7.508 1.00 0.00 O ATOM 687 CB LYS A 48 1.762 10.154 6.321 1.00 0.00 C ATOM 688 CG LYS A 48 2.644 11.315 5.806 1.00 0.00 C ATOM 689 CD LYS A 48 2.127 12.736 6.090 1.00 0.00 C ATOM 690 CE LYS A 48 2.098 13.098 7.583 1.00 0.00 C ATOM 691 NZ LYS A 48 1.627 14.466 7.781 1.00 0.00 N ATOM 0 H LYS A 48 1.341 10.578 3.929 1.00 0.00 H new ATOM 0 HA LYS A 48 0.028 8.950 5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.597 10.302 7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.325 9.227 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.635 11.216 6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.764 11.203 4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.756 13.454 5.564 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.121 12.835 5.682 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.447 12.405 8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.096 12.988 8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.389 15.038 8.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.349 14.873 6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.807 14.462 8.421 1.00 0.00 H new ATOM 705 N ILE A 49 -1.694 11.207 5.511 1.00 0.00 N ATOM 706 CA ILE A 49 -2.846 11.970 5.931 1.00 0.00 C ATOM 707 C ILE A 49 -4.049 11.361 5.266 1.00 0.00 C ATOM 708 O ILE A 49 -5.061 11.085 5.910 1.00 0.00 O ATOM 709 CB ILE A 49 -2.709 13.495 5.600 1.00 0.00 C ATOM 710 CG1 ILE A 49 -1.696 14.207 6.533 1.00 0.00 C ATOM 711 CG2 ILE A 49 -4.043 14.276 5.522 1.00 0.00 C ATOM 712 CD1 ILE A 49 -2.106 14.285 8.013 1.00 0.00 C ATOM 0 H ILE A 49 -1.710 10.995 4.513 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.944 11.924 7.016 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.315 13.508 4.584 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.739 13.689 6.465 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.537 15.220 6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.840 15.321 5.288 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.672 13.845 4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.558 14.212 6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.330 14.801 8.579 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.045 14.832 8.102 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.234 13.277 8.409 1.00 0.00 H new ATOM 724 N ARG A 50 -3.948 11.170 3.934 1.00 0.00 N ATOM 725 CA ARG A 50 -5.019 10.736 3.054 1.00 0.00 C ATOM 726 C ARG A 50 -5.250 9.244 3.060 1.00 0.00 C ATOM 727 O ARG A 50 -6.148 8.749 2.380 1.00 0.00 O ATOM 728 CB ARG A 50 -4.800 11.222 1.602 1.00 0.00 C ATOM 729 CG ARG A 50 -5.054 12.730 1.395 1.00 0.00 C ATOM 730 CD ARG A 50 -3.852 13.642 1.709 1.00 0.00 C ATOM 731 NE ARG A 50 -4.278 15.090 1.723 1.00 0.00 N ATOM 732 CZ ARG A 50 -4.605 15.780 0.582 1.00 0.00 C ATOM 733 NH1 ARG A 50 -4.165 15.389 -0.649 1.00 0.00 N ATOM 734 NH2 ARG A 50 -5.389 16.895 0.686 1.00 0.00 N ATOM 0 H ARG A 50 -3.073 11.325 3.434 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.917 11.200 3.461 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.777 10.993 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.458 10.660 0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.355 12.894 0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -5.893 13.031 2.022 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.426 13.373 2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.071 13.494 0.964 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.325 15.577 2.618 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.575 14.562 -0.741 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.426 15.924 -1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.721 17.202 1.600 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.642 17.420 -0.151 1.00 0.00 H new ATOM 748 N ARG A 51 -4.486 8.504 3.899 1.00 0.00 N ATOM 749 CA ARG A 51 -4.557 7.058 4.032 1.00 0.00 C ATOM 750 C ARG A 51 -5.803 6.573 4.746 1.00 0.00 C ATOM 751 O ARG A 51 -6.201 5.419 4.590 1.00 0.00 O ATOM 752 CB ARG A 51 -3.289 6.396 4.612 1.00 0.00 C ATOM 753 CG ARG A 51 -2.970 6.526 6.117 1.00 0.00 C ATOM 754 CD ARG A 51 -2.778 7.963 6.629 1.00 0.00 C ATOM 755 NE ARG A 51 -1.839 7.973 7.815 1.00 0.00 N ATOM 756 CZ ARG A 51 -2.183 7.498 9.055 1.00 0.00 C ATOM 757 NH1 ARG A 51 -3.481 7.396 9.456 1.00 0.00 N ATOM 758 NH2 ARG A 51 -1.189 7.119 9.914 1.00 0.00 N ATOM 0 H ARG A 51 -3.788 8.924 4.513 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.623 6.721 2.997 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.345 5.332 4.383 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.435 6.795 4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.777 6.061 6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.064 5.959 6.329 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.377 8.590 5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.741 8.387 6.914 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.901 8.353 7.686 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.233 7.677 8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.701 7.038 10.386 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.213 7.192 9.628 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.424 6.763 10.841 1.00 0.00 H new ATOM 772 N LYS A 52 -6.447 7.468 5.544 1.00 0.00 N ATOM 773 CA LYS A 52 -7.636 7.206 6.329 1.00 0.00 C ATOM 774 C LYS A 52 -8.887 7.421 5.515 1.00 0.00 C ATOM 775 O LYS A 52 -9.984 7.073 5.950 1.00 0.00 O ATOM 776 CB LYS A 52 -7.738 8.116 7.576 1.00 0.00 C ATOM 777 CG LYS A 52 -6.543 7.982 8.536 1.00 0.00 C ATOM 778 CD LYS A 52 -6.669 8.824 9.825 1.00 0.00 C ATOM 779 CE LYS A 52 -6.649 10.351 9.618 1.00 0.00 C ATOM 780 NZ LYS A 52 -5.374 10.818 9.070 1.00 0.00 N ATOM 0 H LYS A 52 -6.119 8.428 5.646 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.551 6.166 6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.819 9.154 7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.655 7.878 8.115 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.427 6.933 8.810 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.634 8.276 8.011 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.598 8.554 10.326 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.854 8.554 10.497 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.458 10.635 8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.837 10.848 10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.163 11.766 9.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.616 10.161 9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.436 10.859 8.033 1.00 0.00 H new ATOM 794 N ASN A 53 -8.729 8.004 4.303 1.00 0.00 N ATOM 795 CA ASN A 53 -9.789 8.334 3.383 1.00 0.00 C ATOM 796 C ASN A 53 -9.966 7.199 2.413 1.00 0.00 C ATOM 797 O ASN A 53 -11.070 6.969 1.921 1.00 0.00 O ATOM 798 CB ASN A 53 -9.519 9.630 2.561 1.00 0.00 C ATOM 799 CG ASN A 53 -9.332 10.850 3.487 1.00 0.00 C ATOM 800 OD1 ASN A 53 -9.840 10.888 4.614 1.00 0.00 O ATOM 801 ND2 ASN A 53 -8.584 11.874 2.975 1.00 0.00 N ATOM 0 H ASN A 53 -7.809 8.260 3.945 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.681 8.506 3.986 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.628 9.496 1.948 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.350 9.811 1.880 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.425 12.716 3.529 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.185 11.796 2.039 1.00 0.00 H new ATOM 808 N CYS A 54 -8.862 6.467 2.113 1.00 0.00 N ATOM 809 CA CYS A 54 -8.873 5.421 1.124 1.00 0.00 C ATOM 810 C CYS A 54 -7.630 4.586 1.362 1.00 0.00 C ATOM 811 O CYS A 54 -6.544 5.159 1.421 1.00 0.00 O ATOM 812 CB CYS A 54 -8.835 6.060 -0.294 1.00 0.00 C ATOM 813 SG CYS A 54 -8.829 4.956 -1.733 1.00 0.00 S ATOM 0 H CYS A 54 -7.956 6.604 2.562 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.769 4.804 1.195 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.698 6.720 -0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.946 6.688 -0.352 1.00 0.00 H new ATOM 818 N PRO A 55 -7.746 3.238 1.428 1.00 0.00 N ATOM 819 CA PRO A 55 -6.611 2.335 1.309 1.00 0.00 C ATOM 820 C PRO A 55 -6.787 1.437 0.081 1.00 0.00 C ATOM 821 O PRO A 55 -6.434 0.261 0.138 1.00 0.00 O ATOM 822 CB PRO A 55 -6.713 1.556 2.612 1.00 0.00 C ATOM 823 CG PRO A 55 -8.231 1.389 2.831 1.00 0.00 C ATOM 824 CD PRO A 55 -8.874 2.580 2.091 1.00 0.00 C ATOM 0 HA PRO A 55 -5.643 2.816 1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.212 0.591 2.540 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.248 2.096 3.437 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.585 0.439 2.432 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.481 1.402 3.892 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.620 2.246 1.370 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.378 3.254 2.783 1.00 0.00 H new ATOM 832 N ALA A 56 -7.325 1.948 -1.059 1.00 0.00 N ATOM 833 CA ALA A 56 -7.613 1.225 -2.279 1.00 0.00 C ATOM 834 C ALA A 56 -6.591 1.618 -3.286 1.00 0.00 C ATOM 835 O ALA A 56 -5.968 0.759 -3.901 1.00 0.00 O ATOM 836 CB ALA A 56 -8.988 1.547 -2.881 1.00 0.00 C ATOM 0 H ALA A 56 -7.575 2.934 -1.131 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.602 0.163 -2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.131 0.967 -3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.768 1.293 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.043 2.610 -3.115 1.00 0.00 H new ATOM 842 N CYS A 57 -6.384 2.955 -3.437 1.00 0.00 N ATOM 843 CA CYS A 57 -5.415 3.621 -4.272 1.00 0.00 C ATOM 844 C CYS A 57 -4.004 3.215 -3.942 1.00 0.00 C ATOM 845 O CYS A 57 -3.158 3.108 -4.822 1.00 0.00 O ATOM 846 CB CYS A 57 -5.548 5.156 -4.180 1.00 0.00 C ATOM 847 SG CYS A 57 -7.046 5.863 -4.958 1.00 0.00 S ATOM 0 H CYS A 57 -6.952 3.628 -2.923 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.629 3.308 -5.294 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.536 5.442 -3.128 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.671 5.608 -4.643 1.00 0.00 H new ATOM 852 N ARG A 58 -3.780 2.913 -2.644 1.00 0.00 N ATOM 853 CA ARG A 58 -2.562 2.465 -2.022 1.00 0.00 C ATOM 854 C ARG A 58 -2.133 1.092 -2.472 1.00 0.00 C ATOM 855 O ARG A 58 -0.955 0.757 -2.397 1.00 0.00 O ATOM 856 CB ARG A 58 -2.614 2.615 -0.487 1.00 0.00 C ATOM 857 CG ARG A 58 -3.088 1.455 0.406 1.00 0.00 C ATOM 858 CD ARG A 58 -1.995 1.042 1.421 1.00 0.00 C ATOM 859 NE ARG A 58 -2.243 1.487 2.840 1.00 0.00 N ATOM 860 CZ ARG A 58 -2.531 2.755 3.264 1.00 0.00 C ATOM 861 NH1 ARG A 58 -3.104 3.691 2.461 1.00 0.00 N ATOM 862 NH2 ARG A 58 -2.247 3.071 4.566 1.00 0.00 N ATOM 0 H ARG A 58 -4.533 2.992 -1.960 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.773 3.131 -2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.610 2.882 -0.158 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.257 3.468 -0.271 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.991 1.751 0.941 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.352 0.599 -0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.900 -0.044 1.408 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.040 1.450 1.090 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.190 0.766 3.560 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.338 3.460 1.496 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.299 4.624 2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.835 2.371 5.183 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.448 4.007 4.919 1.00 0.00 H new ATOM 876 N TYR A 59 -3.099 0.276 -2.986 1.00 0.00 N ATOM 877 CA TYR A 59 -2.854 -1.043 -3.549 1.00 0.00 C ATOM 878 C TYR A 59 -2.232 -0.831 -4.913 1.00 0.00 C ATOM 879 O TYR A 59 -1.276 -1.512 -5.278 1.00 0.00 O ATOM 880 CB TYR A 59 -4.140 -1.903 -3.661 1.00 0.00 C ATOM 881 CG TYR A 59 -3.879 -3.309 -4.186 1.00 0.00 C ATOM 882 CD1 TYR A 59 -2.988 -4.183 -3.532 1.00 0.00 C ATOM 883 CD2 TYR A 59 -4.501 -3.750 -5.371 1.00 0.00 C ATOM 884 CE1 TYR A 59 -2.719 -5.456 -4.053 1.00 0.00 C ATOM 885 CE2 TYR A 59 -4.241 -5.028 -5.887 1.00 0.00 C ATOM 886 CZ TYR A 59 -3.348 -5.882 -5.228 1.00 0.00 C ATOM 887 OH TYR A 59 -3.079 -7.170 -5.743 1.00 0.00 O ATOM 0 H TYR A 59 -4.083 0.543 -3.011 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.191 -1.599 -2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.611 -1.970 -2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.848 -1.402 -4.321 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.506 -3.868 -2.618 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.187 -3.096 -5.889 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.025 -6.110 -3.546 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.730 -5.354 -6.793 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.597 -7.309 -6.563 1.00 0.00 H new ATOM 897 N ARG A 60 -2.733 0.194 -5.654 1.00 0.00 N ATOM 898 CA ARG A 60 -2.237 0.584 -6.964 1.00 0.00 C ATOM 899 C ARG A 60 -0.870 1.232 -6.863 1.00 0.00 C ATOM 900 O ARG A 60 -0.018 1.029 -7.727 1.00 0.00 O ATOM 901 CB ARG A 60 -3.181 1.488 -7.798 1.00 0.00 C ATOM 902 CG ARG A 60 -4.534 0.847 -8.189 1.00 0.00 C ATOM 903 CD ARG A 60 -5.594 0.865 -7.069 1.00 0.00 C ATOM 904 NE ARG A 60 -6.872 0.173 -7.480 1.00 0.00 N ATOM 905 CZ ARG A 60 -7.777 0.713 -8.360 1.00 0.00 C ATOM 906 NH1 ARG A 60 -7.756 2.035 -8.695 1.00 0.00 N ATOM 907 NH2 ARG A 60 -8.738 -0.094 -8.900 1.00 0.00 N ATOM 0 H ARG A 60 -3.509 0.773 -5.333 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.176 -0.358 -7.509 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.379 2.398 -7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.662 1.785 -8.709 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.932 1.370 -9.058 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.359 -0.186 -8.491 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.190 0.379 -6.181 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.814 1.897 -6.796 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.074 -0.745 -7.083 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.054 2.653 -8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.442 2.406 -9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.775 -1.082 -8.648 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.418 0.291 -9.555 1.00 0.00 H new ATOM 921 N LYS A 61 -0.643 1.996 -5.761 1.00 0.00 N ATOM 922 CA LYS A 61 0.518 2.795 -5.464 1.00 0.00 C ATOM 923 C LYS A 61 1.728 1.975 -5.126 1.00 0.00 C ATOM 924 O LYS A 61 2.819 2.229 -5.632 1.00 0.00 O ATOM 925 CB LYS A 61 0.174 3.808 -4.360 1.00 0.00 C ATOM 926 CG LYS A 61 1.201 4.912 -4.060 1.00 0.00 C ATOM 927 CD LYS A 61 1.365 6.008 -5.134 1.00 0.00 C ATOM 928 CE LYS A 61 2.332 5.671 -6.283 1.00 0.00 C ATOM 929 NZ LYS A 61 2.490 6.812 -7.183 1.00 0.00 N ATOM 0 H LYS A 61 -1.337 2.055 -5.016 1.00 0.00 H new ATOM 0 HA LYS A 61 0.792 3.338 -6.369 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.767 4.289 -4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.001 3.253 -3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.922 5.392 -3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.171 4.442 -3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.385 6.225 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.711 6.920 -4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.302 5.387 -5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.956 4.813 -6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.382 6.495 -8.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.766 7.527 -6.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.435 7.227 -7.055 1.00 0.00 H new ATOM 943 N CYS A 62 1.527 0.932 -4.287 1.00 0.00 N ATOM 944 CA CYS A 62 2.529 -0.012 -3.831 1.00 0.00 C ATOM 945 C CYS A 62 3.070 -0.848 -4.973 1.00 0.00 C ATOM 946 O CYS A 62 4.272 -1.088 -5.057 1.00 0.00 O ATOM 947 CB CYS A 62 2.080 -0.828 -2.584 1.00 0.00 C ATOM 948 SG CYS A 62 0.822 -2.127 -2.835 1.00 0.00 S ATOM 0 H CYS A 62 0.605 0.731 -3.899 1.00 0.00 H new ATOM 0 HA CYS A 62 3.377 0.567 -3.467 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.965 -1.296 -2.152 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.696 -0.126 -1.843 1.00 0.00 H new ATOM 0 HG CYS A 62 0.042 -1.791 -3.819 1.00 0.00 H new ATOM 954 N LEU A 63 2.177 -1.228 -5.927 1.00 0.00 N ATOM 955 CA LEU A 63 2.476 -1.981 -7.133 1.00 0.00 C ATOM 956 C LEU A 63 3.312 -1.150 -8.080 1.00 0.00 C ATOM 957 O LEU A 63 4.220 -1.673 -8.725 1.00 0.00 O ATOM 958 CB LEU A 63 1.208 -2.486 -7.863 1.00 0.00 C ATOM 959 CG LEU A 63 0.520 -3.696 -7.186 1.00 0.00 C ATOM 960 CD1 LEU A 63 -0.910 -3.899 -7.722 1.00 0.00 C ATOM 961 CD2 LEU A 63 1.353 -4.985 -7.332 1.00 0.00 C ATOM 0 H LEU A 63 1.186 -0.996 -5.853 1.00 0.00 H new ATOM 0 HA LEU A 63 3.036 -2.861 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.492 -1.667 -7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.476 -2.760 -8.883 1.00 0.00 H new ATOM 0 HG LEU A 63 0.452 -3.471 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.366 -4.756 -7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.503 -3.007 -7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.874 -4.078 -8.797 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.835 -5.810 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.485 -5.215 -8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.328 -4.843 -6.867 1.00 0.00 H new ATOM 973 N GLN A 64 3.047 0.190 -8.118 1.00 0.00 N ATOM 974 CA GLN A 64 3.731 1.194 -8.911 1.00 0.00 C ATOM 975 C GLN A 64 5.163 1.349 -8.453 1.00 0.00 C ATOM 976 O GLN A 64 6.070 1.585 -9.250 1.00 0.00 O ATOM 977 CB GLN A 64 2.983 2.551 -8.869 1.00 0.00 C ATOM 978 CG GLN A 64 3.148 3.475 -10.100 1.00 0.00 C ATOM 979 CD GLN A 64 4.482 4.241 -10.139 1.00 0.00 C ATOM 980 OE1 GLN A 64 5.306 4.013 -11.034 1.00 0.00 O ATOM 981 NE2 GLN A 64 4.684 5.165 -9.151 1.00 0.00 N ATOM 0 H GLN A 64 2.301 0.596 -7.553 1.00 0.00 H new ATOM 0 HA GLN A 64 3.739 0.856 -9.947 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.920 2.350 -8.735 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.318 3.097 -7.987 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.060 2.875 -11.005 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.329 4.194 -10.113 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.970 5.313 -8.437 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.548 5.706 -9.128 1.00 0.00 H new ATOM 990 N ALA A 65 5.366 1.157 -7.124 1.00 0.00 N ATOM 991 CA ALA A 65 6.610 1.263 -6.394 1.00 0.00 C ATOM 992 C ALA A 65 7.579 0.181 -6.796 1.00 0.00 C ATOM 993 O ALA A 65 8.787 0.406 -6.871 1.00 0.00 O ATOM 994 CB ALA A 65 6.399 1.278 -4.871 1.00 0.00 C ATOM 0 H ALA A 65 4.592 0.906 -6.509 1.00 0.00 H new ATOM 0 HA ALA A 65 7.046 2.225 -6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.364 1.359 -4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.776 2.130 -4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.907 0.356 -4.563 1.00 0.00 H new ATOM 1000 N GLY A 66 7.021 -1.021 -7.067 1.00 0.00 N ATOM 1001 CA GLY A 66 7.741 -2.177 -7.553 1.00 0.00 C ATOM 1002 C GLY A 66 7.518 -3.361 -6.668 1.00 0.00 C ATOM 1003 O GLY A 66 8.301 -4.309 -6.716 1.00 0.00 O ATOM 0 H GLY A 66 6.024 -1.199 -6.943 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.417 -2.411 -8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.806 -1.952 -7.602 1.00 0.00 H new ATOM 1007 N MET A 67 6.418 -3.357 -5.857 1.00 0.00 N ATOM 1008 CA MET A 67 6.092 -4.406 -4.897 1.00 0.00 C ATOM 1009 C MET A 67 5.704 -5.678 -5.622 1.00 0.00 C ATOM 1010 O MET A 67 5.146 -5.630 -6.719 1.00 0.00 O ATOM 1011 CB MET A 67 4.961 -4.039 -3.913 1.00 0.00 C ATOM 1012 CG MET A 67 5.343 -2.964 -2.873 1.00 0.00 C ATOM 1013 SD MET A 67 6.263 -3.629 -1.443 1.00 0.00 S ATOM 1014 CE MET A 67 4.907 -4.373 -0.488 1.00 0.00 C ATOM 0 H MET A 67 5.733 -2.601 -5.869 1.00 0.00 H new ATOM 0 HA MET A 67 6.998 -4.544 -4.306 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.101 -3.687 -4.482 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.647 -4.941 -3.387 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.947 -2.198 -3.359 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.436 -2.476 -2.516 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.238 -4.551 0.535 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.053 -3.696 -0.481 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.616 -5.319 -0.945 1.00 0.00 H new ATOM 1024 N ASN A 68 6.018 -6.844 -5.014 1.00 0.00 N ATOM 1025 CA ASN A 68 5.762 -8.136 -5.597 1.00 0.00 C ATOM 1026 C ASN A 68 6.006 -9.046 -4.447 1.00 0.00 C ATOM 1027 O ASN A 68 7.054 -9.005 -3.818 1.00 0.00 O ATOM 1028 CB ASN A 68 6.702 -8.509 -6.782 1.00 0.00 C ATOM 1029 CG ASN A 68 6.049 -9.507 -7.752 1.00 0.00 C ATOM 1030 OD1 ASN A 68 6.481 -10.658 -7.884 1.00 0.00 O ATOM 1031 ND2 ASN A 68 4.978 -9.017 -8.436 1.00 0.00 N ATOM 0 H ASN A 68 6.460 -6.891 -4.096 1.00 0.00 H new ATOM 0 HA ASN A 68 4.766 -8.184 -6.037 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.976 -7.604 -7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.625 -8.937 -6.390 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.484 -9.610 -9.102 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.670 -8.057 -8.282 1.00 0.00 H new ATOM 1038 N LEU A 69 5.039 -9.928 -4.138 1.00 0.00 N ATOM 1039 CA LEU A 69 5.059 -10.791 -2.970 1.00 0.00 C ATOM 1040 C LEU A 69 5.703 -12.121 -3.324 1.00 0.00 C ATOM 1041 O LEU A 69 5.553 -13.143 -2.658 1.00 0.00 O ATOM 1042 CB LEU A 69 3.643 -10.742 -2.327 1.00 0.00 C ATOM 1043 CG LEU A 69 3.076 -11.926 -1.512 1.00 0.00 C ATOM 1044 CD1 LEU A 69 3.700 -12.004 -0.112 1.00 0.00 C ATOM 1045 CD2 LEU A 69 1.538 -11.850 -1.454 1.00 0.00 C ATOM 0 H LEU A 69 4.207 -10.054 -4.715 1.00 0.00 H new ATOM 0 HA LEU A 69 5.710 -10.466 -2.158 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.624 -9.871 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.937 -10.549 -3.134 1.00 0.00 H new ATOM 0 HG LEU A 69 3.347 -12.850 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.275 -12.849 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.778 -12.135 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.490 -11.083 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.154 -12.691 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.238 -10.916 -0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.133 -11.889 -2.465 1.00 0.00 H new ATOM 1057 N GLU A 70 6.505 -12.056 -4.407 1.00 0.00 N ATOM 1058 CA GLU A 70 7.335 -13.062 -4.996 1.00 0.00 C ATOM 1059 C GLU A 70 8.434 -12.259 -5.658 1.00 0.00 C ATOM 1060 O GLU A 70 8.824 -12.505 -6.799 1.00 0.00 O ATOM 1061 CB GLU A 70 6.641 -13.957 -6.055 1.00 0.00 C ATOM 1062 CG GLU A 70 5.429 -14.790 -5.565 1.00 0.00 C ATOM 1063 CD GLU A 70 4.073 -14.211 -6.002 1.00 0.00 C ATOM 1064 OE1 GLU A 70 3.728 -13.078 -5.576 1.00 0.00 O ATOM 1065 OE2 GLU A 70 3.360 -14.910 -6.773 1.00 0.00 O ATOM 0 H GLU A 70 6.575 -11.184 -4.931 1.00 0.00 H new ATOM 0 HA GLU A 70 7.660 -13.769 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.309 -13.321 -6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.384 -14.642 -6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.520 -15.808 -5.944 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.456 -14.851 -4.477 1.00 0.00 H new ATOM 1072 N ALA A 71 8.958 -11.258 -4.910 1.00 0.00 N ATOM 1073 CA ALA A 71 9.983 -10.319 -5.330 1.00 0.00 C ATOM 1074 C ALA A 71 11.344 -10.854 -4.957 1.00 0.00 C ATOM 1075 O ALA A 71 11.465 -11.889 -4.302 1.00 0.00 O ATOM 1076 CB ALA A 71 9.817 -8.939 -4.661 1.00 0.00 C ATOM 0 H ALA A 71 8.650 -11.090 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 71 9.885 -10.201 -6.409 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.606 -8.270 -5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.846 -8.521 -4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.882 -9.049 -3.579 1.00 0.00 H new ATOM 1082 N ARG A 72 12.403 -10.117 -5.379 1.00 0.00 N ATOM 1083 CA ARG A 72 13.794 -10.414 -5.128 1.00 0.00 C ATOM 1084 C ARG A 72 14.245 -9.482 -3.984 1.00 0.00 C ATOM 1085 O ARG A 72 14.140 -8.237 -4.146 1.00 0.00 O ATOM 1086 CB ARG A 72 14.658 -10.189 -6.395 1.00 0.00 C ATOM 1087 CG ARG A 72 16.149 -10.572 -6.281 1.00 0.00 C ATOM 1088 CD ARG A 72 16.386 -12.067 -5.985 1.00 0.00 C ATOM 1089 NE ARG A 72 17.865 -12.376 -5.952 1.00 0.00 N ATOM 1090 CZ ARG A 72 18.643 -12.423 -7.083 1.00 0.00 C ATOM 1091 NH1 ARG A 72 18.103 -12.608 -8.322 1.00 0.00 N ATOM 1092 NH2 ARG A 72 19.997 -12.292 -6.958 1.00 0.00 N ATOM 1093 OXT ARG A 72 14.694 -10.016 -2.935 1.00 0.00 O ATOM 0 H ARG A 72 12.280 -9.265 -5.927 1.00 0.00 H new ATOM 0 HA ARG A 72 13.918 -11.462 -4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.220 -10.759 -7.214 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.595 -9.136 -6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.654 -10.311 -7.211 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.608 -9.977 -5.491 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.933 -12.330 -5.029 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.899 -12.676 -6.747 1.00 0.00 H new ATOM 0 HE ARG A 72 18.305 -12.558 -5.050 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.094 -12.716 -8.428 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.708 -12.638 -9.143 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.414 -12.162 -6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 72 20.591 -12.324 -7.786 1.00 0.00 H new TER 1107 ARG A 72 HETATM 1108 ZN ZN A 73 2.566 2.394 4.147 1.00 0.00 ZN HETATM 1109 ZN ZN A 74 -8.966 6.197 -3.697 1.00 0.00 ZN