USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 555 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 26 SER OG : rot -100:sc= 0.956 USER MOD Set 1.2: A 44 LYS NZ :NH3+ 172:sc= 1.05 (180deg=-0.0697) USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0.0755 USER MOD Set 2.2: A 19 SER OG : rot 109:sc= -1.8! USER MOD Set 3.1: A 4 HIS : no HD1:sc= 0.466 K(o=1.1,f=-0.19) USER MOD Set 3.2: A 6 TYR OH : rot -71:sc= 0.663 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 166:sc= 0 (180deg=-0.31) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HE2:sc= -0.422 K(o=-0.42,f=-4.8!) USER MOD Single : A -1 GLN : amide:sc= -0.0222 X(o=-0.022,f=-0.11) USER MOD Single : A -1 GLN N :NH3+ -165:sc=-0.00919 (180deg=-0.288) USER MOD Single : A 13 LYS NZ :NH3+ 172:sc=-0.00292 (180deg=-0.0762) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00904 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00397 USER MOD Single : A 30 GLN : amide:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.0511 X(o=-0.051,f=-0.51) USER MOD Single : A 33 THR OG1 : rot -90:sc= 0.0671 USER MOD Single : A 34 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.025) USER MOD Single : A 38 ASN :FLIP amide:sc= -0.0185 F(o=-0.64,f=-0.018) USER MOD Single : A 40 MET CE :methyl 175:sc= -0.907 (180deg=-1.12) USER MOD Single : A 42 SER OG : rot 180:sc=-0.00998 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.848 K(o=-0.85,f=-3.7!) USER MOD Single : A 50 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0361 USER MOD Single : A 59 GLN :FLIP amide:sc=-0.00112 F(o=-0.87,f=-0.0011) USER MOD Single : A 65 ASN : amide:sc= 0.407 K(o=0.41,f=-5.2!) USER MOD Single : A 67 HIS : no HD1:sc= -0.0307 X(o=-0.031,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0737 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A -1 -6.196 12.927 -10.532 1.00 0.00 N ATOM 2 CA GLN A -1 -5.707 11.768 -9.748 1.00 0.00 C ATOM 3 C GLN A -1 -4.261 11.977 -9.312 1.00 0.00 C ATOM 4 O GLN A -1 -3.335 11.460 -9.935 1.00 0.00 O ATOM 5 CB GLN A -1 -5.810 10.480 -10.572 1.00 0.00 C ATOM 6 CG GLN A -1 -7.225 10.140 -11.001 1.00 0.00 C ATOM 7 CD GLN A -1 -8.121 9.802 -9.828 1.00 0.00 C ATOM 8 OE1 GLN A -1 -8.734 10.685 -9.229 1.00 0.00 O ATOM 9 NE2 GLN A -1 -8.218 8.523 -9.506 1.00 0.00 N ATOM 0 H1 GLN A -1 -7.233 12.887 -10.600 1.00 0.00 H new ATOM 0 H2 GLN A -1 -5.914 13.810 -10.060 1.00 0.00 H new ATOM 0 H3 GLN A -1 -5.785 12.899 -11.487 1.00 0.00 H new ATOM 0 HA GLN A -1 -6.334 11.679 -8.861 1.00 0.00 H new ATOM 0 HB2 GLN A -1 -5.184 10.576 -11.459 1.00 0.00 H new ATOM 0 HB3 GLN A -1 -5.409 9.652 -9.987 1.00 0.00 H new ATOM 0 HG2 GLN A -1 -7.648 10.983 -11.546 1.00 0.00 H new ATOM 0 HG3 GLN A -1 -7.199 9.296 -11.690 1.00 0.00 H new ATOM 0 HE21 GLN A -1 -7.692 7.824 -10.030 1.00 0.00 H new ATOM 0 HE22 GLN A -1 -8.819 8.236 -8.734 1.00 0.00 H new ATOM 20 N SER A 0 -4.066 12.746 -8.249 1.00 0.00 N ATOM 21 CA SER A 0 -2.741 12.924 -7.671 1.00 0.00 C ATOM 22 C SER A 0 -2.357 11.683 -6.873 1.00 0.00 C ATOM 23 O SER A 0 -1.181 11.347 -6.736 1.00 0.00 O ATOM 24 CB SER A 0 -2.717 14.163 -6.774 1.00 0.00 C ATOM 25 OG SER A 0 -3.154 15.310 -7.485 1.00 0.00 O ATOM 0 H SER A 0 -4.808 13.256 -7.770 1.00 0.00 H new ATOM 0 HA SER A 0 -2.018 13.066 -8.474 1.00 0.00 H new ATOM 0 HB2 SER A 0 -3.357 14.002 -5.907 1.00 0.00 H new ATOM 0 HB3 SER A 0 -1.707 14.326 -6.398 1.00 0.00 H new ATOM 0 HG SER A 0 -3.132 16.090 -6.892 1.00 0.00 H new ATOM 31 N MET A 1 -3.370 11.007 -6.354 1.00 0.00 N ATOM 32 CA MET A 1 -3.180 9.753 -5.647 1.00 0.00 C ATOM 33 C MET A 1 -4.172 8.730 -6.152 1.00 0.00 C ATOM 34 O MET A 1 -5.304 9.069 -6.505 1.00 0.00 O ATOM 35 CB MET A 1 -3.342 9.950 -4.141 1.00 0.00 C ATOM 36 CG MET A 1 -3.387 8.657 -3.341 1.00 0.00 C ATOM 37 SD MET A 1 -3.701 8.938 -1.586 1.00 0.00 S ATOM 38 CE MET A 1 -3.597 7.268 -0.949 1.00 0.00 C ATOM 0 H MET A 1 -4.342 11.311 -6.411 1.00 0.00 H new ATOM 0 HA MET A 1 -2.168 9.395 -5.834 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.517 10.561 -3.776 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.259 10.510 -3.956 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.165 8.010 -3.747 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.441 8.129 -3.457 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.520 7.297 0.138 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.491 6.713 -1.235 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.717 6.775 -1.362 1.00 0.00 H new ATOM 48 N ALA A 2 -3.743 7.489 -6.194 1.00 0.00 N ATOM 49 CA ALA A 2 -4.583 6.412 -6.684 1.00 0.00 C ATOM 50 C ALA A 2 -4.345 5.135 -5.900 1.00 0.00 C ATOM 51 O ALA A 2 -5.189 4.710 -5.110 1.00 0.00 O ATOM 52 CB ALA A 2 -4.341 6.189 -8.172 1.00 0.00 C ATOM 0 H ALA A 2 -2.813 7.196 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.625 6.698 -6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.977 5.378 -8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.577 7.101 -8.720 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.296 5.927 -8.335 1.00 0.00 H new ATOM 58 N LEU A 3 -3.183 4.551 -6.098 1.00 0.00 N ATOM 59 CA LEU A 3 -2.843 3.277 -5.479 1.00 0.00 C ATOM 60 C LEU A 3 -2.172 3.489 -4.138 1.00 0.00 C ATOM 61 O LEU A 3 -1.585 4.538 -3.882 1.00 0.00 O ATOM 62 CB LEU A 3 -1.934 2.433 -6.387 1.00 0.00 C ATOM 63 CG LEU A 3 -2.569 1.942 -7.685 1.00 0.00 C ATOM 64 CD1 LEU A 3 -2.602 3.061 -8.688 1.00 0.00 C ATOM 65 CD2 LEU A 3 -1.817 0.746 -8.240 1.00 0.00 C ATOM 0 H LEU A 3 -2.447 4.939 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.776 2.735 -5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.052 3.022 -6.636 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.590 1.567 -5.822 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.590 1.623 -7.476 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.056 2.707 -9.613 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.188 3.889 -8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.586 3.400 -8.889 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.290 0.416 -9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.783 1.028 -8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.837 -0.066 -7.513 1.00 0.00 H new ATOM 77 N HIS A 4 -2.276 2.493 -3.275 1.00 0.00 N ATOM 78 CA HIS A 4 -1.635 2.558 -1.974 1.00 0.00 C ATOM 79 C HIS A 4 -0.295 1.866 -2.037 1.00 0.00 C ATOM 80 O HIS A 4 -0.208 0.678 -2.346 1.00 0.00 O ATOM 81 CB HIS A 4 -2.474 1.881 -0.898 1.00 0.00 C ATOM 82 CG HIS A 4 -3.681 2.643 -0.448 1.00 0.00 C ATOM 83 ND1 HIS A 4 -3.877 3.012 0.864 1.00 0.00 N ATOM 84 CD2 HIS A 4 -4.778 3.063 -1.122 1.00 0.00 C ATOM 85 CE1 HIS A 4 -5.039 3.621 0.980 1.00 0.00 C ATOM 86 NE2 HIS A 4 -5.610 3.668 -0.210 1.00 0.00 N ATOM 0 H HIS A 4 -2.796 1.633 -3.451 1.00 0.00 H new ATOM 0 HA HIS A 4 -1.519 3.611 -1.717 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.798 0.910 -1.272 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.840 1.694 -0.031 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.965 2.945 -2.179 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.455 4.016 1.895 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.518 4.084 -0.418 1.00 0.00 H new ATOM 95 N TYR A 5 0.730 2.607 -1.702 1.00 0.00 N ATOM 96 CA TYR A 5 2.090 2.097 -1.726 1.00 0.00 C ATOM 97 C TYR A 5 2.497 1.610 -0.350 1.00 0.00 C ATOM 98 O TYR A 5 2.357 2.334 0.635 1.00 0.00 O ATOM 99 CB TYR A 5 3.073 3.179 -2.176 1.00 0.00 C ATOM 100 CG TYR A 5 3.148 3.410 -3.667 1.00 0.00 C ATOM 101 CD1 TYR A 5 2.148 2.986 -4.528 1.00 0.00 C ATOM 102 CD2 TYR A 5 4.241 4.063 -4.207 1.00 0.00 C ATOM 103 CE1 TYR A 5 2.236 3.210 -5.888 1.00 0.00 C ATOM 104 CE2 TYR A 5 4.340 4.290 -5.561 1.00 0.00 C ATOM 105 CZ TYR A 5 3.333 3.861 -6.401 1.00 0.00 C ATOM 106 OH TYR A 5 3.423 4.082 -7.756 1.00 0.00 O ATOM 0 H TYR A 5 0.653 3.580 -1.405 1.00 0.00 H new ATOM 0 HA TYR A 5 2.118 1.269 -2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.799 4.117 -1.694 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.067 2.914 -1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.286 2.472 -4.129 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.032 4.401 -3.554 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.447 2.875 -6.545 1.00 0.00 H new ATOM 0 HE2 TYR A 5 5.202 4.801 -5.964 1.00 0.00 H new ATOM 0 HH TYR A 5 4.258 4.554 -7.956 1.00 0.00 H new ATOM 116 N TYR A 6 2.988 0.389 -0.286 1.00 0.00 N ATOM 117 CA TYR A 6 3.542 -0.153 0.942 1.00 0.00 C ATOM 118 C TYR A 6 4.903 -0.759 0.635 1.00 0.00 C ATOM 119 O TYR A 6 5.069 -1.434 -0.383 1.00 0.00 O ATOM 120 CB TYR A 6 2.598 -1.196 1.544 1.00 0.00 C ATOM 121 CG TYR A 6 1.203 -0.668 1.811 1.00 0.00 C ATOM 122 CD1 TYR A 6 0.167 -0.914 0.917 1.00 0.00 C ATOM 123 CD2 TYR A 6 0.920 0.075 2.954 1.00 0.00 C ATOM 124 CE1 TYR A 6 -1.107 -0.439 1.154 1.00 0.00 C ATOM 125 CE2 TYR A 6 -0.355 0.552 3.193 1.00 0.00 C ATOM 126 CZ TYR A 6 -1.363 0.290 2.293 1.00 0.00 C ATOM 127 OH TYR A 6 -2.633 0.767 2.527 1.00 0.00 O ATOM 0 H TYR A 6 3.015 -0.254 -1.078 1.00 0.00 H new ATOM 0 HA TYR A 6 3.659 0.642 1.678 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.532 -2.048 0.867 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.024 -1.563 2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.362 -1.486 0.022 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.708 0.281 3.664 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -1.900 -0.639 0.448 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.560 1.128 4.083 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.831 1.492 1.898 1.00 0.00 H new ATOM 137 N CYS A 7 5.889 -0.497 1.482 1.00 0.00 N ATOM 138 CA CYS A 7 7.251 -0.865 1.147 1.00 0.00 C ATOM 139 C CYS A 7 7.550 -2.327 1.386 1.00 0.00 C ATOM 140 O CYS A 7 7.160 -2.914 2.395 1.00 0.00 O ATOM 141 CB CYS A 7 8.304 -0.038 1.885 1.00 0.00 C ATOM 142 SG CYS A 7 9.963 -0.387 1.209 1.00 0.00 S ATOM 0 H CYS A 7 5.773 -0.041 2.387 1.00 0.00 H new ATOM 0 HA CYS A 7 7.315 -0.654 0.080 1.00 0.00 H new ATOM 0 HB2 CYS A 7 8.079 1.024 1.786 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.280 -0.271 2.950 1.00 0.00 H new ATOM 147 N ARG A 8 8.271 -2.882 0.429 1.00 0.00 N ATOM 148 CA ARG A 8 8.913 -4.168 0.566 1.00 0.00 C ATOM 149 C ARG A 8 9.815 -4.161 1.800 1.00 0.00 C ATOM 150 O ARG A 8 10.747 -3.357 1.889 1.00 0.00 O ATOM 151 CB ARG A 8 9.747 -4.438 -0.686 1.00 0.00 C ATOM 152 CG ARG A 8 10.586 -5.699 -0.617 1.00 0.00 C ATOM 153 CD ARG A 8 11.774 -5.616 -1.565 1.00 0.00 C ATOM 154 NE ARG A 8 12.635 -4.474 -1.254 1.00 0.00 N ATOM 155 CZ ARG A 8 13.497 -4.449 -0.234 1.00 0.00 C ATOM 156 NH1 ARG A 8 13.624 -5.504 0.559 1.00 0.00 N ATOM 157 NH2 ARG A 8 14.239 -3.371 -0.005 1.00 0.00 N ATOM 0 H ARG A 8 8.427 -2.442 -0.478 1.00 0.00 H new ATOM 0 HA ARG A 8 8.162 -4.949 0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.080 -4.506 -1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.405 -3.587 -0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.940 -5.849 0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.972 -6.563 -0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.354 -6.537 -1.503 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.416 -5.533 -2.591 1.00 0.00 H new ATOM 0 HE ARG A 8 12.573 -3.649 -1.851 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.062 -6.339 0.391 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.283 -5.481 1.337 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.153 -2.554 -0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 8 14.895 -3.360 0.776 1.00 0.00 H new ATOM 171 N HIS A 9 9.471 -5.008 2.763 1.00 0.00 N ATOM 172 CA HIS A 9 10.278 -5.248 3.969 1.00 0.00 C ATOM 173 C HIS A 9 9.972 -4.220 5.055 1.00 0.00 C ATOM 174 O HIS A 9 9.731 -4.588 6.203 1.00 0.00 O ATOM 175 CB HIS A 9 11.786 -5.293 3.644 1.00 0.00 C ATOM 176 CG HIS A 9 12.688 -5.415 4.843 1.00 0.00 C ATOM 177 ND1 HIS A 9 13.968 -4.912 4.865 1.00 0.00 N ATOM 178 CD2 HIS A 9 12.489 -5.979 6.060 1.00 0.00 C ATOM 179 CE1 HIS A 9 14.514 -5.155 6.042 1.00 0.00 C ATOM 180 NE2 HIS A 9 13.638 -5.801 6.785 1.00 0.00 N ATOM 0 H HIS A 9 8.613 -5.559 2.734 1.00 0.00 H new ATOM 0 HA HIS A 9 10.001 -6.229 4.356 1.00 0.00 H new ATOM 0 HB2 HIS A 9 11.975 -6.135 2.978 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.052 -4.388 3.097 1.00 0.00 H new ATOM 0 HD1 HIS A 9 14.424 -4.427 4.092 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.591 -6.476 6.396 1.00 0.00 H new ATOM 0 HE1 HIS A 9 15.511 -4.872 6.345 1.00 0.00 H new ATOM 189 N CYS A 10 9.976 -2.944 4.707 1.00 0.00 N ATOM 190 CA CYS A 10 9.674 -1.905 5.682 1.00 0.00 C ATOM 191 C CYS A 10 8.202 -1.932 6.063 1.00 0.00 C ATOM 192 O CYS A 10 7.842 -1.768 7.226 1.00 0.00 O ATOM 193 CB CYS A 10 10.009 -0.523 5.134 1.00 0.00 C ATOM 194 SG CYS A 10 11.708 -0.308 4.600 1.00 0.00 S ATOM 0 H CYS A 10 10.182 -2.603 3.768 1.00 0.00 H new ATOM 0 HA CYS A 10 10.285 -2.104 6.562 1.00 0.00 H new ATOM 0 HB2 CYS A 10 9.350 -0.314 4.291 1.00 0.00 H new ATOM 0 HB3 CYS A 10 9.789 0.219 5.902 1.00 0.00 H new ATOM 199 N GLY A 11 7.356 -2.154 5.066 1.00 0.00 N ATOM 200 CA GLY A 11 5.925 -2.090 5.274 1.00 0.00 C ATOM 201 C GLY A 11 5.429 -0.661 5.307 1.00 0.00 C ATOM 202 O GLY A 11 4.250 -0.411 5.552 1.00 0.00 O ATOM 0 H GLY A 11 7.639 -2.378 4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.417 -2.634 4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.671 -2.585 6.211 1.00 0.00 H new ATOM 206 N VAL A 12 6.331 0.283 5.047 1.00 0.00 N ATOM 207 CA VAL A 12 5.995 1.688 5.123 1.00 0.00 C ATOM 208 C VAL A 12 5.092 2.120 3.989 1.00 0.00 C ATOM 209 O VAL A 12 5.301 1.759 2.833 1.00 0.00 O ATOM 210 CB VAL A 12 7.243 2.597 5.190 1.00 0.00 C ATOM 211 CG1 VAL A 12 8.245 2.257 4.116 1.00 0.00 C ATOM 212 CG2 VAL A 12 6.861 4.045 5.051 1.00 0.00 C ATOM 0 H VAL A 12 7.298 0.093 4.783 1.00 0.00 H new ATOM 0 HA VAL A 12 5.449 1.808 6.059 1.00 0.00 H new ATOM 0 HB VAL A 12 7.699 2.426 6.165 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.106 2.920 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.569 1.223 4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.784 2.382 3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.757 4.664 5.101 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.366 4.200 4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.183 4.322 5.858 1.00 0.00 H new ATOM 222 N LYS A 13 4.079 2.891 4.347 1.00 0.00 N ATOM 223 CA LYS A 13 3.130 3.410 3.386 1.00 0.00 C ATOM 224 C LYS A 13 3.793 4.513 2.564 1.00 0.00 C ATOM 225 O LYS A 13 3.801 5.679 2.963 1.00 0.00 O ATOM 226 CB LYS A 13 1.886 3.964 4.096 1.00 0.00 C ATOM 227 CG LYS A 13 1.172 2.979 5.018 1.00 0.00 C ATOM 228 CD LYS A 13 1.798 2.897 6.407 1.00 0.00 C ATOM 229 CE LYS A 13 1.673 4.209 7.177 1.00 0.00 C ATOM 230 NZ LYS A 13 0.260 4.544 7.499 1.00 0.00 N ATOM 0 H LYS A 13 3.895 3.172 5.310 1.00 0.00 H new ATOM 0 HA LYS A 13 2.817 2.600 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.179 4.837 4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.179 4.308 3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.127 3.273 5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.184 1.989 4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.318 2.099 6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.851 2.632 6.313 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.247 4.141 8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.110 5.016 6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 0.234 5.366 8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.252 4.768 6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.192 3.732 7.965 1.00 0.00 H new ATOM 244 N VAL A 14 4.336 4.143 1.413 1.00 0.00 N ATOM 245 CA VAL A 14 5.060 5.088 0.568 1.00 0.00 C ATOM 246 C VAL A 14 4.082 6.035 -0.111 1.00 0.00 C ATOM 247 O VAL A 14 4.445 7.133 -0.526 1.00 0.00 O ATOM 248 CB VAL A 14 5.910 4.398 -0.533 1.00 0.00 C ATOM 249 CG1 VAL A 14 7.230 5.121 -0.715 1.00 0.00 C ATOM 250 CG2 VAL A 14 6.162 2.928 -0.241 1.00 0.00 C ATOM 0 H VAL A 14 4.290 3.195 1.041 1.00 0.00 H new ATOM 0 HA VAL A 14 5.739 5.626 1.230 1.00 0.00 H new ATOM 0 HB VAL A 14 5.332 4.452 -1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.813 4.624 -1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.042 6.154 -1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.786 5.106 0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.761 2.495 -1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.697 2.831 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.210 2.402 -0.175 1.00 0.00 H new ATOM 260 N GLY A 15 2.833 5.599 -0.209 1.00 0.00 N ATOM 261 CA GLY A 15 1.827 6.373 -0.904 1.00 0.00 C ATOM 262 C GLY A 15 0.750 6.898 0.020 1.00 0.00 C ATOM 263 O GLY A 15 -0.360 7.192 -0.418 1.00 0.00 O ATOM 0 H GLY A 15 2.499 4.719 0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.306 7.211 -1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.368 5.755 -1.675 1.00 0.00 H new ATOM 267 N SER A 16 1.068 7.003 1.299 1.00 0.00 N ATOM 268 CA SER A 16 0.135 7.560 2.260 1.00 0.00 C ATOM 269 C SER A 16 0.893 8.248 3.378 1.00 0.00 C ATOM 270 O SER A 16 1.053 7.718 4.477 1.00 0.00 O ATOM 271 CB SER A 16 -0.790 6.477 2.808 1.00 0.00 C ATOM 272 OG SER A 16 -1.873 7.041 3.532 1.00 0.00 O ATOM 0 H SER A 16 1.962 6.711 1.694 1.00 0.00 H new ATOM 0 HA SER A 16 -0.487 8.301 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.175 5.874 1.985 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.225 5.808 3.457 1.00 0.00 H new ATOM 0 HG SER A 16 -2.449 6.324 3.870 1.00 0.00 H new ATOM 278 N LEU A 17 1.376 9.430 3.060 1.00 0.00 N ATOM 279 CA LEU A 17 2.101 10.261 4.011 1.00 0.00 C ATOM 280 C LEU A 17 1.635 11.701 3.884 1.00 0.00 C ATOM 281 O LEU A 17 1.676 12.483 4.831 1.00 0.00 O ATOM 282 CB LEU A 17 3.623 10.167 3.792 1.00 0.00 C ATOM 283 CG LEU A 17 4.155 10.704 2.454 1.00 0.00 C ATOM 284 CD1 LEU A 17 5.656 10.934 2.538 1.00 0.00 C ATOM 285 CD2 LEU A 17 3.852 9.741 1.313 1.00 0.00 C ATOM 0 H LEU A 17 1.279 9.847 2.134 1.00 0.00 H new ATOM 0 HA LEU A 17 1.891 9.899 5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.118 10.708 4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.917 9.121 3.882 1.00 0.00 H new ATOM 0 HG LEU A 17 3.652 11.650 2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.020 11.314 1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.870 11.660 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.156 9.993 2.768 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.241 10.149 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.324 8.779 1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.774 9.605 1.228 1.00 0.00 H new ATOM 297 N GLU A 18 1.164 12.018 2.699 1.00 0.00 N ATOM 298 CA GLU A 18 0.627 13.330 2.380 1.00 0.00 C ATOM 299 C GLU A 18 -0.895 13.297 2.438 1.00 0.00 C ATOM 300 O GLU A 18 -1.551 14.316 2.645 1.00 0.00 O ATOM 301 CB GLU A 18 1.099 13.769 0.983 1.00 0.00 C ATOM 302 CG GLU A 18 1.533 12.619 0.066 1.00 0.00 C ATOM 303 CD GLU A 18 0.449 11.579 -0.168 1.00 0.00 C ATOM 304 OE1 GLU A 18 0.366 10.609 0.624 1.00 0.00 O ATOM 305 OE2 GLU A 18 -0.320 11.720 -1.141 1.00 0.00 O ATOM 0 H GLU A 18 1.141 11.365 1.916 1.00 0.00 H new ATOM 0 HA GLU A 18 0.991 14.050 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.293 14.319 0.498 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.934 14.461 1.096 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.843 13.030 -0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.405 12.130 0.500 1.00 0.00 H new ATOM 312 N SER A 19 -1.435 12.102 2.259 1.00 0.00 N ATOM 313 CA SER A 19 -2.870 11.871 2.253 1.00 0.00 C ATOM 314 C SER A 19 -3.439 11.845 3.662 1.00 0.00 C ATOM 315 O SER A 19 -4.637 12.037 3.869 1.00 0.00 O ATOM 316 CB SER A 19 -3.136 10.547 1.558 1.00 0.00 C ATOM 317 OG SER A 19 -2.092 9.622 1.828 1.00 0.00 O ATOM 0 H SER A 19 -0.883 11.257 2.112 1.00 0.00 H new ATOM 0 HA SER A 19 -3.360 12.688 1.723 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.088 10.138 1.896 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.220 10.705 0.483 1.00 0.00 H new ATOM 0 HG SER A 19 -2.422 8.922 2.429 1.00 0.00 H new ATOM 323 N SER A 20 -2.560 11.607 4.617 1.00 0.00 N ATOM 324 CA SER A 20 -2.929 11.511 6.025 1.00 0.00 C ATOM 325 C SER A 20 -3.729 12.734 6.494 1.00 0.00 C ATOM 326 O SER A 20 -4.663 12.607 7.287 1.00 0.00 O ATOM 327 CB SER A 20 -1.665 11.353 6.872 1.00 0.00 C ATOM 328 OG SER A 20 -0.810 10.355 6.331 1.00 0.00 O ATOM 0 H SER A 20 -1.564 11.474 4.442 1.00 0.00 H new ATOM 0 HA SER A 20 -3.570 10.638 6.147 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.134 12.304 6.921 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.938 11.088 7.893 1.00 0.00 H new ATOM 0 HG SER A 20 -0.008 10.274 6.889 1.00 0.00 H new ATOM 334 N MET A 21 -3.391 13.910 5.972 1.00 0.00 N ATOM 335 CA MET A 21 -4.034 15.143 6.409 1.00 0.00 C ATOM 336 C MET A 21 -4.972 15.658 5.335 1.00 0.00 C ATOM 337 O MET A 21 -5.378 16.822 5.335 1.00 0.00 O ATOM 338 CB MET A 21 -2.993 16.209 6.745 1.00 0.00 C ATOM 339 CG MET A 21 -2.148 15.879 7.961 1.00 0.00 C ATOM 340 SD MET A 21 -0.978 17.191 8.363 1.00 0.00 S ATOM 341 CE MET A 21 -0.129 16.476 9.766 1.00 0.00 C ATOM 0 H MET A 21 -2.680 14.034 5.251 1.00 0.00 H new ATOM 0 HA MET A 21 -4.609 14.924 7.309 1.00 0.00 H new ATOM 0 HB2 MET A 21 -2.337 16.347 5.885 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.501 17.159 6.914 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.800 15.703 8.816 1.00 0.00 H new ATOM 0 HG3 MET A 21 -1.603 14.953 7.780 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.628 17.173 10.127 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.846 16.275 10.562 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.350 15.544 9.465 1.00 0.00 H new ATOM 351 N VAL A 22 -5.302 14.777 4.415 1.00 0.00 N ATOM 352 CA VAL A 22 -6.175 15.104 3.308 1.00 0.00 C ATOM 353 C VAL A 22 -7.466 14.303 3.408 1.00 0.00 C ATOM 354 O VAL A 22 -7.434 13.085 3.574 1.00 0.00 O ATOM 355 CB VAL A 22 -5.479 14.810 1.965 1.00 0.00 C ATOM 356 CG1 VAL A 22 -6.426 15.011 0.807 1.00 0.00 C ATOM 357 CG2 VAL A 22 -4.258 15.691 1.797 1.00 0.00 C ATOM 0 H VAL A 22 -4.972 13.812 4.414 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.409 16.168 3.354 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.164 13.766 1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.908 14.797 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.278 14.339 0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.777 16.043 0.799 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.779 15.470 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.559 16.738 1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.556 15.499 2.609 1.00 0.00 H new ATOM 367 N SER A 23 -8.593 14.993 3.330 1.00 0.00 N ATOM 368 CA SER A 23 -9.888 14.342 3.427 1.00 0.00 C ATOM 369 C SER A 23 -10.134 13.453 2.210 1.00 0.00 C ATOM 370 O SER A 23 -10.253 13.944 1.086 1.00 0.00 O ATOM 371 CB SER A 23 -10.985 15.396 3.550 1.00 0.00 C ATOM 372 OG SER A 23 -10.732 16.250 4.655 1.00 0.00 O ATOM 0 H SER A 23 -8.636 16.004 3.200 1.00 0.00 H new ATOM 0 HA SER A 23 -9.901 13.711 4.315 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.037 15.983 2.633 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.953 14.910 3.673 1.00 0.00 H new ATOM 0 HG SER A 23 -11.443 16.921 4.719 1.00 0.00 H new ATOM 378 N THR A 24 -10.188 12.145 2.443 1.00 0.00 N ATOM 379 CA THR A 24 -10.392 11.174 1.377 1.00 0.00 C ATOM 380 C THR A 24 -11.703 11.441 0.637 1.00 0.00 C ATOM 381 O THR A 24 -12.785 11.363 1.221 1.00 0.00 O ATOM 382 CB THR A 24 -10.403 9.743 1.944 1.00 0.00 C ATOM 383 OG1 THR A 24 -9.304 9.577 2.854 1.00 0.00 O ATOM 384 CG2 THR A 24 -10.296 8.712 0.829 1.00 0.00 C ATOM 0 H THR A 24 -10.092 11.732 3.371 1.00 0.00 H new ATOM 0 HA THR A 24 -9.565 11.275 0.674 1.00 0.00 H new ATOM 0 HB THR A 24 -11.347 9.590 2.467 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.313 8.666 3.215 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.306 7.710 1.258 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.140 8.824 0.148 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.366 8.863 0.282 1.00 0.00 H new ATOM 392 N ASP A 25 -11.592 11.763 -0.644 1.00 0.00 N ATOM 393 CA ASP A 25 -12.755 12.096 -1.459 1.00 0.00 C ATOM 394 C ASP A 25 -13.226 10.878 -2.234 1.00 0.00 C ATOM 395 O ASP A 25 -14.374 10.809 -2.672 1.00 0.00 O ATOM 396 CB ASP A 25 -12.416 13.219 -2.440 1.00 0.00 C ATOM 397 CG ASP A 25 -11.414 12.787 -3.493 1.00 0.00 C ATOM 398 OD1 ASP A 25 -11.835 12.414 -4.608 1.00 0.00 O ATOM 399 OD2 ASP A 25 -10.198 12.802 -3.207 1.00 0.00 O ATOM 0 H ASP A 25 -10.704 11.801 -1.145 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.551 12.428 -0.793 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.329 13.558 -2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.015 14.070 -1.889 1.00 0.00 H new ATOM 404 N SER A 26 -12.321 9.929 -2.409 1.00 0.00 N ATOM 405 CA SER A 26 -12.593 8.729 -3.179 1.00 0.00 C ATOM 406 C SER A 26 -13.628 7.857 -2.469 1.00 0.00 C ATOM 407 O SER A 26 -14.831 8.015 -2.697 1.00 0.00 O ATOM 408 CB SER A 26 -11.283 7.965 -3.413 1.00 0.00 C ATOM 409 OG SER A 26 -11.480 6.781 -4.172 1.00 0.00 O ATOM 0 H SER A 26 -11.378 9.970 -2.021 1.00 0.00 H new ATOM 0 HA SER A 26 -13.011 9.007 -4.147 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.575 8.612 -3.930 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.838 7.708 -2.452 1.00 0.00 H new ATOM 0 HG SER A 26 -11.503 6.007 -3.571 1.00 0.00 H new ATOM 415 N LEU A 27 -13.156 6.963 -1.596 1.00 0.00 N ATOM 416 CA LEU A 27 -14.024 6.091 -0.807 1.00 0.00 C ATOM 417 C LEU A 27 -14.831 5.137 -1.691 1.00 0.00 C ATOM 418 O LEU A 27 -15.030 5.369 -2.883 1.00 0.00 O ATOM 419 CB LEU A 27 -14.969 6.933 0.059 1.00 0.00 C ATOM 420 CG LEU A 27 -14.290 7.940 0.983 1.00 0.00 C ATOM 421 CD1 LEU A 27 -15.315 8.868 1.616 1.00 0.00 C ATOM 422 CD2 LEU A 27 -13.508 7.214 2.052 1.00 0.00 C ATOM 0 H LEU A 27 -12.161 6.825 -1.418 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.386 5.484 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.652 7.472 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.574 6.260 0.666 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.604 8.545 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.808 9.577 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -15.846 9.411 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.026 8.282 2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.027 7.940 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -14.184 6.590 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.748 6.587 1.585 1.00 0.00 H new ATOM 434 N GLY A 28 -15.271 4.042 -1.097 1.00 0.00 N ATOM 435 CA GLY A 28 -16.152 3.123 -1.790 1.00 0.00 C ATOM 436 C GLY A 28 -17.610 3.506 -1.628 1.00 0.00 C ATOM 437 O GLY A 28 -18.498 2.659 -1.723 1.00 0.00 O ATOM 0 H GLY A 28 -15.034 3.770 -0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.897 3.105 -2.850 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.997 2.114 -1.408 1.00 0.00 H new ATOM 441 N PHE A 29 -17.852 4.785 -1.380 1.00 0.00 N ATOM 442 CA PHE A 29 -19.189 5.303 -1.207 1.00 0.00 C ATOM 443 C PHE A 29 -19.179 6.798 -1.475 1.00 0.00 C ATOM 444 O PHE A 29 -18.115 7.412 -1.557 1.00 0.00 O ATOM 445 CB PHE A 29 -19.723 4.997 0.201 1.00 0.00 C ATOM 446 CG PHE A 29 -18.893 5.549 1.328 1.00 0.00 C ATOM 447 CD1 PHE A 29 -19.162 6.800 1.855 1.00 0.00 C ATOM 448 CD2 PHE A 29 -17.855 4.808 1.869 1.00 0.00 C ATOM 449 CE1 PHE A 29 -18.412 7.302 2.900 1.00 0.00 C ATOM 450 CE2 PHE A 29 -17.101 5.305 2.912 1.00 0.00 C ATOM 451 CZ PHE A 29 -17.379 6.554 3.428 1.00 0.00 C ATOM 0 H PHE A 29 -17.120 5.490 -1.294 1.00 0.00 H new ATOM 0 HA PHE A 29 -19.858 4.815 -1.916 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.734 5.396 0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -19.796 3.916 0.319 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -19.968 7.390 1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -17.633 3.829 1.469 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -18.633 8.279 3.304 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -16.294 4.717 3.324 1.00 0.00 H new ATOM 0 HZ PHE A 29 -16.789 6.946 4.244 1.00 0.00 H new ATOM 461 N GLN A 30 -20.357 7.374 -1.610 1.00 0.00 N ATOM 462 CA GLN A 30 -20.478 8.783 -1.975 1.00 0.00 C ATOM 463 C GLN A 30 -20.651 9.659 -0.738 1.00 0.00 C ATOM 464 O GLN A 30 -19.984 10.681 -0.592 1.00 0.00 O ATOM 465 CB GLN A 30 -21.641 8.994 -2.957 1.00 0.00 C ATOM 466 CG GLN A 30 -22.999 8.551 -2.427 1.00 0.00 C ATOM 467 CD GLN A 30 -24.159 8.939 -3.331 1.00 0.00 C ATOM 468 OE1 GLN A 30 -25.267 9.183 -2.852 1.00 0.00 O ATOM 469 NE2 GLN A 30 -23.922 9.010 -4.633 1.00 0.00 N ATOM 0 H GLN A 30 -21.247 6.894 -1.474 1.00 0.00 H new ATOM 0 HA GLN A 30 -19.554 9.080 -2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -21.693 10.051 -3.218 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -21.428 8.449 -3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -22.995 7.469 -2.299 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -23.155 8.988 -1.441 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -22.991 8.801 -4.994 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -24.670 9.274 -5.274 1.00 0.00 H new ATOM 478 N HIS A 31 -21.545 9.245 0.147 1.00 0.00 N ATOM 479 CA HIS A 31 -21.794 9.952 1.395 1.00 0.00 C ATOM 480 C HIS A 31 -22.781 9.145 2.218 1.00 0.00 C ATOM 481 O HIS A 31 -23.851 9.620 2.595 1.00 0.00 O ATOM 482 CB HIS A 31 -22.336 11.364 1.140 1.00 0.00 C ATOM 483 CG HIS A 31 -22.316 12.237 2.360 1.00 0.00 C ATOM 484 ND1 HIS A 31 -23.405 12.408 3.185 1.00 0.00 N ATOM 485 CD2 HIS A 31 -21.322 12.981 2.896 1.00 0.00 C ATOM 486 CE1 HIS A 31 -23.083 13.218 4.174 1.00 0.00 C ATOM 487 NE2 HIS A 31 -21.824 13.581 4.023 1.00 0.00 N ATOM 0 H HIS A 31 -22.118 8.411 0.021 1.00 0.00 H new ATOM 0 HA HIS A 31 -20.855 10.061 1.938 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -21.746 11.836 0.354 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -23.359 11.292 0.770 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -20.319 13.084 2.509 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -23.739 13.531 4.973 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -21.308 14.206 4.643 1.00 0.00 H new ATOM 496 N LEU A 32 -22.415 7.904 2.466 1.00 0.00 N ATOM 497 CA LEU A 32 -23.266 6.984 3.192 1.00 0.00 C ATOM 498 C LEU A 32 -23.137 7.225 4.691 1.00 0.00 C ATOM 499 O LEU A 32 -22.443 8.151 5.113 1.00 0.00 O ATOM 500 CB LEU A 32 -22.912 5.540 2.817 1.00 0.00 C ATOM 501 CG LEU A 32 -23.622 4.981 1.570 1.00 0.00 C ATOM 502 CD1 LEU A 32 -23.556 5.952 0.401 1.00 0.00 C ATOM 503 CD2 LEU A 32 -23.012 3.647 1.175 1.00 0.00 C ATOM 0 H LEU A 32 -21.523 7.506 2.171 1.00 0.00 H new ATOM 0 HA LEU A 32 -24.307 7.155 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -21.835 5.479 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -23.146 4.896 3.665 1.00 0.00 H new ATOM 0 HG LEU A 32 -24.672 4.838 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -24.068 5.521 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -24.039 6.889 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -22.514 6.143 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -23.522 3.261 0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -21.954 3.782 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -23.122 2.939 1.996 1.00 0.00 H new ATOM 515 N THR A 33 -23.796 6.406 5.492 1.00 0.00 N ATOM 516 CA THR A 33 -23.841 6.623 6.921 1.00 0.00 C ATOM 517 C THR A 33 -22.493 6.397 7.591 1.00 0.00 C ATOM 518 O THR A 33 -21.545 5.902 6.973 1.00 0.00 O ATOM 519 CB THR A 33 -24.899 5.726 7.578 1.00 0.00 C ATOM 520 OG1 THR A 33 -24.946 4.458 6.914 1.00 0.00 O ATOM 521 CG2 THR A 33 -26.265 6.385 7.540 1.00 0.00 C ATOM 0 H THR A 33 -24.308 5.583 5.173 1.00 0.00 H new ATOM 0 HA THR A 33 -24.110 7.670 7.063 1.00 0.00 H new ATOM 0 HB THR A 33 -24.622 5.574 8.621 1.00 0.00 H new ATOM 0 HG1 THR A 33 -25.597 4.496 6.182 1.00 0.00 H new ATOM 0 HG21 THR A 33 -26.998 5.730 8.011 1.00 0.00 H new ATOM 0 HG22 THR A 33 -26.227 7.333 8.077 1.00 0.00 H new ATOM 0 HG23 THR A 33 -26.553 6.566 6.504 1.00 0.00 H new ATOM 529 N ASN A 34 -22.421 6.759 8.859 1.00 0.00 N ATOM 530 CA ASN A 34 -21.196 6.600 9.636 1.00 0.00 C ATOM 531 C ASN A 34 -20.801 5.135 9.673 1.00 0.00 C ATOM 532 O ASN A 34 -19.631 4.784 9.530 1.00 0.00 O ATOM 533 CB ASN A 34 -21.380 7.112 11.071 1.00 0.00 C ATOM 534 CG ASN A 34 -21.904 8.533 11.134 1.00 0.00 C ATOM 535 OD1 ASN A 34 -21.136 9.494 11.107 1.00 0.00 O ATOM 536 ND2 ASN A 34 -23.217 8.676 11.240 1.00 0.00 N ATOM 0 H ASN A 34 -23.198 7.167 9.378 1.00 0.00 H new ATOM 0 HA ASN A 34 -20.412 7.186 9.157 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -22.069 6.453 11.600 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -20.425 7.060 11.594 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -23.625 9.609 11.303 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -23.820 7.853 11.259 1.00 0.00 H new ATOM 543 N GLU A 35 -21.805 4.280 9.814 1.00 0.00 N ATOM 544 CA GLU A 35 -21.588 2.846 9.931 1.00 0.00 C ATOM 545 C GLU A 35 -20.908 2.275 8.686 1.00 0.00 C ATOM 546 O GLU A 35 -20.216 1.263 8.766 1.00 0.00 O ATOM 547 CB GLU A 35 -22.913 2.134 10.195 1.00 0.00 C ATOM 548 CG GLU A 35 -23.971 2.449 9.162 1.00 0.00 C ATOM 549 CD GLU A 35 -25.267 1.711 9.408 1.00 0.00 C ATOM 550 OE1 GLU A 35 -26.175 2.288 10.042 1.00 0.00 O ATOM 551 OE2 GLU A 35 -25.386 0.553 8.971 1.00 0.00 O ATOM 0 H GLU A 35 -22.785 4.559 9.850 1.00 0.00 H new ATOM 0 HA GLU A 35 -20.919 2.675 10.775 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -22.743 1.058 10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -23.281 2.417 11.181 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -24.164 3.522 9.161 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -23.594 2.192 8.172 1.00 0.00 H new ATOM 558 N GLU A 36 -21.087 2.933 7.543 1.00 0.00 N ATOM 559 CA GLU A 36 -20.470 2.479 6.308 1.00 0.00 C ATOM 560 C GLU A 36 -18.964 2.720 6.346 1.00 0.00 C ATOM 561 O GLU A 36 -18.174 1.837 6.013 1.00 0.00 O ATOM 562 CB GLU A 36 -21.087 3.195 5.105 1.00 0.00 C ATOM 563 CG GLU A 36 -20.623 2.650 3.763 1.00 0.00 C ATOM 564 CD GLU A 36 -20.968 1.185 3.580 1.00 0.00 C ATOM 565 OE1 GLU A 36 -22.171 0.859 3.493 1.00 0.00 O ATOM 566 OE2 GLU A 36 -20.041 0.353 3.517 1.00 0.00 O ATOM 0 H GLU A 36 -21.652 3.777 7.450 1.00 0.00 H new ATOM 0 HA GLU A 36 -20.652 1.409 6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -22.172 3.115 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -20.842 4.256 5.160 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -21.080 3.230 2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -19.544 2.780 3.675 1.00 0.00 H new ATOM 573 N ARG A 37 -18.563 3.910 6.782 1.00 0.00 N ATOM 574 CA ARG A 37 -17.148 4.255 6.825 1.00 0.00 C ATOM 575 C ARG A 37 -16.456 3.583 8.002 1.00 0.00 C ATOM 576 O ARG A 37 -15.255 3.352 7.976 1.00 0.00 O ATOM 577 CB ARG A 37 -16.938 5.768 6.900 1.00 0.00 C ATOM 578 CG ARG A 37 -17.479 6.423 8.158 1.00 0.00 C ATOM 579 CD ARG A 37 -17.036 7.872 8.255 1.00 0.00 C ATOM 580 NE ARG A 37 -15.578 7.998 8.246 1.00 0.00 N ATOM 581 CZ ARG A 37 -14.930 9.161 8.270 1.00 0.00 C ATOM 582 NH1 ARG A 37 -15.606 10.303 8.297 1.00 0.00 N ATOM 583 NH2 ARG A 37 -13.604 9.180 8.262 1.00 0.00 N ATOM 0 H ARG A 37 -19.191 4.645 7.107 1.00 0.00 H new ATOM 0 HA ARG A 37 -16.705 3.891 5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.871 5.977 6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.412 6.230 6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -18.568 6.372 8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -17.134 5.875 9.034 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -17.454 8.436 7.422 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -17.433 8.313 9.169 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.024 7.142 8.220 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.626 10.292 8.299 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.106 11.192 8.315 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.082 8.304 8.237 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.107 10.070 8.280 1.00 0.00 H new ATOM 597 N ASN A 38 -17.212 3.290 9.041 1.00 0.00 N ATOM 598 CA ASN A 38 -16.671 2.565 10.183 1.00 0.00 C ATOM 599 C ASN A 38 -16.435 1.102 9.815 1.00 0.00 C ATOM 600 O ASN A 38 -15.431 0.510 10.211 1.00 0.00 O ATOM 601 CB ASN A 38 -17.603 2.654 11.401 1.00 0.00 C ATOM 602 CG ASN A 38 -17.842 4.074 11.912 1.00 0.00 C ATOM 603 OD1 ASN A 38 -16.876 4.967 11.743 1.00 0.00 O flip ATOM 604 ND2 ASN A 38 -18.902 4.364 12.468 1.00 0.00 N flip ATOM 0 H ASN A 38 -18.198 3.539 9.122 1.00 0.00 H new ATOM 0 HA ASN A 38 -15.722 3.029 10.451 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -18.563 2.208 11.142 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -17.182 2.056 12.209 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -19.627 3.656 12.584 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -19.055 5.312 12.812 1.00 0.00 H new ATOM 611 N ASP A 39 -17.352 0.529 9.043 1.00 0.00 N ATOM 612 CA ASP A 39 -17.242 -0.868 8.635 1.00 0.00 C ATOM 613 C ASP A 39 -16.245 -1.046 7.498 1.00 0.00 C ATOM 614 O ASP A 39 -15.269 -1.783 7.627 1.00 0.00 O ATOM 615 CB ASP A 39 -18.604 -1.414 8.203 1.00 0.00 C ATOM 616 CG ASP A 39 -18.510 -2.814 7.628 1.00 0.00 C ATOM 617 OD1 ASP A 39 -18.551 -2.959 6.389 1.00 0.00 O ATOM 618 OD2 ASP A 39 -18.392 -3.777 8.412 1.00 0.00 O ATOM 0 H ASP A 39 -18.179 1.009 8.687 1.00 0.00 H new ATOM 0 HA ASP A 39 -16.883 -1.426 9.500 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -19.278 -1.421 9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -19.040 -0.747 7.459 1.00 0.00 H new ATOM 623 N MET A 40 -16.487 -0.361 6.391 1.00 0.00 N ATOM 624 CA MET A 40 -15.679 -0.548 5.192 1.00 0.00 C ATOM 625 C MET A 40 -14.414 0.309 5.247 1.00 0.00 C ATOM 626 O MET A 40 -13.538 0.195 4.386 1.00 0.00 O ATOM 627 CB MET A 40 -16.512 -0.222 3.947 1.00 0.00 C ATOM 628 CG MET A 40 -15.843 -0.603 2.635 1.00 0.00 C ATOM 629 SD MET A 40 -16.910 -0.355 1.202 1.00 0.00 S ATOM 630 CE MET A 40 -17.278 1.392 1.351 1.00 0.00 C ATOM 0 H MET A 40 -17.233 0.328 6.296 1.00 0.00 H new ATOM 0 HA MET A 40 -15.366 -1.591 5.138 1.00 0.00 H new ATOM 0 HB2 MET A 40 -17.469 -0.739 4.018 1.00 0.00 H new ATOM 0 HB3 MET A 40 -16.727 0.847 3.936 1.00 0.00 H new ATOM 0 HG2 MET A 40 -14.935 -0.013 2.512 1.00 0.00 H new ATOM 0 HG3 MET A 40 -15.540 -1.649 2.679 1.00 0.00 H new ATOM 0 HE1 MET A 40 -17.857 1.717 0.487 1.00 0.00 H new ATOM 0 HE2 MET A 40 -17.854 1.566 2.260 1.00 0.00 H new ATOM 0 HE3 MET A 40 -16.347 1.957 1.397 1.00 0.00 H new ATOM 640 N ILE A 41 -14.327 1.147 6.280 1.00 0.00 N ATOM 641 CA ILE A 41 -13.174 2.024 6.509 1.00 0.00 C ATOM 642 C ILE A 41 -13.106 3.136 5.462 1.00 0.00 C ATOM 643 O ILE A 41 -13.415 4.294 5.748 1.00 0.00 O ATOM 644 CB ILE A 41 -11.836 1.245 6.539 1.00 0.00 C ATOM 645 CG1 ILE A 41 -11.877 0.139 7.602 1.00 0.00 C ATOM 646 CG2 ILE A 41 -10.669 2.190 6.804 1.00 0.00 C ATOM 647 CD1 ILE A 41 -12.134 0.643 9.005 1.00 0.00 C ATOM 0 H ILE A 41 -15.057 1.239 6.986 1.00 0.00 H new ATOM 0 HA ILE A 41 -13.320 2.471 7.492 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.691 0.782 5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.654 -0.577 7.336 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.929 -0.399 7.588 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.738 1.623 6.821 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.622 2.940 6.015 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.811 2.683 7.766 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.148 -0.199 9.697 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.344 1.336 9.293 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.096 1.155 9.037 1.00 0.00 H new ATOM 659 N SER A 42 -12.701 2.783 4.257 1.00 0.00 N ATOM 660 CA SER A 42 -12.628 3.727 3.158 1.00 0.00 C ATOM 661 C SER A 42 -12.860 2.996 1.847 1.00 0.00 C ATOM 662 O SER A 42 -13.859 3.232 1.166 1.00 0.00 O ATOM 663 CB SER A 42 -11.262 4.423 3.143 1.00 0.00 C ATOM 664 OG SER A 42 -11.021 5.102 4.365 1.00 0.00 O ATOM 0 H SER A 42 -12.414 1.835 4.012 1.00 0.00 H new ATOM 0 HA SER A 42 -13.399 4.487 3.287 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.477 3.686 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.220 5.131 2.316 1.00 0.00 H new ATOM 0 HG SER A 42 -10.143 5.536 4.330 1.00 0.00 H new ATOM 670 N TYR A 43 -11.937 2.086 1.532 1.00 0.00 N ATOM 671 CA TYR A 43 -11.990 1.267 0.324 1.00 0.00 C ATOM 672 C TYR A 43 -11.800 2.109 -0.934 1.00 0.00 C ATOM 673 O TYR A 43 -12.444 3.140 -1.124 1.00 0.00 O ATOM 674 CB TYR A 43 -13.303 0.478 0.251 1.00 0.00 C ATOM 675 CG TYR A 43 -13.352 -0.527 -0.880 1.00 0.00 C ATOM 676 CD1 TYR A 43 -14.027 -0.246 -2.060 1.00 0.00 C ATOM 677 CD2 TYR A 43 -12.719 -1.758 -0.763 1.00 0.00 C ATOM 678 CE1 TYR A 43 -14.069 -1.163 -3.093 1.00 0.00 C ATOM 679 CE2 TYR A 43 -12.755 -2.680 -1.791 1.00 0.00 C ATOM 680 CZ TYR A 43 -13.431 -2.378 -2.953 1.00 0.00 C ATOM 681 OH TYR A 43 -13.469 -3.291 -3.981 1.00 0.00 O ATOM 0 H TYR A 43 -11.123 1.896 2.116 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.165 0.557 0.377 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -13.454 -0.045 1.195 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -14.131 1.178 0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -14.527 0.704 -2.173 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -12.190 -1.998 0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.598 -0.930 -4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.256 -3.632 -1.685 1.00 0.00 H new ATOM 0 HH TYR A 43 -12.970 -4.094 -3.724 1.00 0.00 H new ATOM 691 N LYS A 44 -10.882 1.684 -1.780 1.00 0.00 N ATOM 692 CA LYS A 44 -10.685 2.332 -3.061 1.00 0.00 C ATOM 693 C LYS A 44 -11.556 1.688 -4.128 1.00 0.00 C ATOM 694 O LYS A 44 -11.459 0.485 -4.382 1.00 0.00 O ATOM 695 CB LYS A 44 -9.215 2.268 -3.472 1.00 0.00 C ATOM 696 CG LYS A 44 -8.327 3.231 -2.702 1.00 0.00 C ATOM 697 CD LYS A 44 -8.658 4.679 -3.026 1.00 0.00 C ATOM 698 CE LYS A 44 -8.354 5.016 -4.479 1.00 0.00 C ATOM 699 NZ LYS A 44 -8.779 6.394 -4.833 1.00 0.00 N ATOM 0 H LYS A 44 -10.262 0.894 -1.603 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.975 3.378 -2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.849 1.252 -3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.134 2.485 -4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.447 3.061 -1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.282 3.034 -2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.713 4.865 -2.822 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.086 5.338 -2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.284 4.909 -4.659 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.860 4.303 -5.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.434 6.630 -5.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.817 6.452 -4.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.384 7.067 -4.145 1.00 0.00 H new ATOM 713 N GLU A 45 -12.390 2.508 -4.757 1.00 0.00 N ATOM 714 CA GLU A 45 -13.304 2.058 -5.802 1.00 0.00 C ATOM 715 C GLU A 45 -12.535 1.527 -7.016 1.00 0.00 C ATOM 716 O GLU A 45 -13.103 0.890 -7.899 1.00 0.00 O ATOM 717 CB GLU A 45 -14.220 3.217 -6.208 1.00 0.00 C ATOM 718 CG GLU A 45 -15.273 2.854 -7.229 1.00 0.00 C ATOM 719 CD GLU A 45 -16.126 4.037 -7.625 1.00 0.00 C ATOM 720 OE1 GLU A 45 -15.594 4.972 -8.262 1.00 0.00 O ATOM 721 OE2 GLU A 45 -17.332 4.042 -7.308 1.00 0.00 O ATOM 0 H GLU A 45 -12.452 3.506 -4.557 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.909 1.239 -5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.714 3.603 -5.316 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.607 4.025 -6.608 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.789 2.446 -8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.912 2.069 -6.824 1.00 0.00 H new ATOM 728 N ASN A 46 -11.229 1.770 -7.035 1.00 0.00 N ATOM 729 CA ASN A 46 -10.363 1.324 -8.128 1.00 0.00 C ATOM 730 C ASN A 46 -10.091 -0.181 -8.053 1.00 0.00 C ATOM 731 O ASN A 46 -9.129 -0.677 -8.644 1.00 0.00 O ATOM 732 CB ASN A 46 -9.035 2.089 -8.101 1.00 0.00 C ATOM 733 CG ASN A 46 -9.214 3.582 -8.290 1.00 0.00 C ATOM 734 OD1 ASN A 46 -9.412 4.320 -7.323 1.00 0.00 O ATOM 735 ND2 ASN A 46 -9.132 4.039 -9.530 1.00 0.00 N ATOM 0 H ASN A 46 -10.740 2.279 -6.299 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.883 1.530 -9.063 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -8.534 1.905 -7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.383 1.704 -8.885 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.234 5.037 -9.713 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.967 3.393 -10.302 1.00 0.00 H new ATOM 742 N GLY A 47 -10.932 -0.901 -7.318 1.00 0.00 N ATOM 743 CA GLY A 47 -10.775 -2.336 -7.193 1.00 0.00 C ATOM 744 C GLY A 47 -9.806 -2.712 -6.097 1.00 0.00 C ATOM 745 O GLY A 47 -9.223 -3.797 -6.131 1.00 0.00 O ATOM 0 H GLY A 47 -11.723 -0.513 -6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.745 -2.789 -6.989 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.425 -2.745 -8.141 1.00 0.00 H new ATOM 749 N ASP A 48 -9.669 -1.819 -5.115 1.00 0.00 N ATOM 750 CA ASP A 48 -8.680 -1.949 -4.044 1.00 0.00 C ATOM 751 C ASP A 48 -7.265 -1.958 -4.610 1.00 0.00 C ATOM 752 O ASP A 48 -6.863 -2.878 -5.322 1.00 0.00 O ATOM 753 CB ASP A 48 -8.927 -3.200 -3.203 1.00 0.00 C ATOM 754 CG ASP A 48 -7.898 -3.359 -2.102 1.00 0.00 C ATOM 755 OD1 ASP A 48 -7.018 -4.239 -2.218 1.00 0.00 O ATOM 756 OD2 ASP A 48 -7.961 -2.598 -1.113 1.00 0.00 O ATOM 0 H ASP A 48 -10.245 -0.980 -5.040 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.787 -1.082 -3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.923 -3.150 -2.763 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.907 -4.079 -3.847 1.00 0.00 H new ATOM 761 N VAL A 49 -6.510 -0.928 -4.291 1.00 0.00 N ATOM 762 CA VAL A 49 -5.205 -0.739 -4.885 1.00 0.00 C ATOM 763 C VAL A 49 -4.099 -0.861 -3.842 1.00 0.00 C ATOM 764 O VAL A 49 -3.740 0.103 -3.167 1.00 0.00 O ATOM 765 CB VAL A 49 -5.126 0.619 -5.607 1.00 0.00 C ATOM 766 CG1 VAL A 49 -5.734 0.514 -6.995 1.00 0.00 C ATOM 767 CG2 VAL A 49 -5.848 1.698 -4.811 1.00 0.00 C ATOM 0 H VAL A 49 -6.779 -0.207 -3.621 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.057 -1.529 -5.621 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.075 0.894 -5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.671 1.481 -7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.189 -0.230 -7.576 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.779 0.215 -6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.779 2.648 -5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.896 1.423 -4.694 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.386 1.796 -3.828 1.00 0.00 H new ATOM 777 N HIS A 50 -3.564 -2.063 -3.732 1.00 0.00 N ATOM 778 CA HIS A 50 -2.530 -2.379 -2.761 1.00 0.00 C ATOM 779 C HIS A 50 -1.277 -2.846 -3.489 1.00 0.00 C ATOM 780 O HIS A 50 -1.215 -3.978 -3.968 1.00 0.00 O ATOM 781 CB HIS A 50 -3.039 -3.479 -1.821 1.00 0.00 C ATOM 782 CG HIS A 50 -2.140 -3.787 -0.661 1.00 0.00 C ATOM 783 ND1 HIS A 50 -2.502 -3.548 0.647 1.00 0.00 N ATOM 784 CD2 HIS A 50 -0.912 -4.356 -0.608 1.00 0.00 C ATOM 785 CE1 HIS A 50 -1.540 -3.957 1.448 1.00 0.00 C ATOM 786 NE2 HIS A 50 -0.562 -4.452 0.715 1.00 0.00 N ATOM 0 H HIS A 50 -3.836 -2.853 -4.317 1.00 0.00 H new ATOM 0 HA HIS A 50 -2.288 -1.493 -2.175 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -4.015 -3.184 -1.436 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.186 -4.391 -2.399 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.318 -4.675 -1.452 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.550 -3.897 2.526 1.00 0.00 H new ATOM 0 HE2 HIS A 50 0.310 -4.842 1.072 1.00 0.00 H new ATOM 795 N VAL A 51 -0.286 -1.975 -3.581 1.00 0.00 N ATOM 796 CA VAL A 51 0.940 -2.298 -4.295 1.00 0.00 C ATOM 797 C VAL A 51 2.151 -2.243 -3.377 1.00 0.00 C ATOM 798 O VAL A 51 2.239 -1.392 -2.487 1.00 0.00 O ATOM 799 CB VAL A 51 1.167 -1.354 -5.492 1.00 0.00 C ATOM 800 CG1 VAL A 51 0.235 -1.694 -6.637 1.00 0.00 C ATOM 801 CG2 VAL A 51 0.967 0.084 -5.084 1.00 0.00 C ATOM 0 H VAL A 51 -0.305 -1.041 -3.172 1.00 0.00 H new ATOM 0 HA VAL A 51 0.822 -3.316 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 51 2.196 -1.488 -5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.416 -1.013 -7.468 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.416 -2.719 -6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.799 -1.596 -6.306 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.132 0.733 -5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.050 0.220 -4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.674 0.340 -4.295 1.00 0.00 H new ATOM 811 N LEU A 52 3.073 -3.165 -3.592 1.00 0.00 N ATOM 812 CA LEU A 52 4.305 -3.210 -2.828 1.00 0.00 C ATOM 813 C LEU A 52 5.447 -2.659 -3.666 1.00 0.00 C ATOM 814 O LEU A 52 5.588 -3.009 -4.839 1.00 0.00 O ATOM 815 CB LEU A 52 4.609 -4.645 -2.396 1.00 0.00 C ATOM 816 CG LEU A 52 3.518 -5.307 -1.554 1.00 0.00 C ATOM 817 CD1 LEU A 52 3.879 -6.748 -1.255 1.00 0.00 C ATOM 818 CD2 LEU A 52 3.301 -4.537 -0.261 1.00 0.00 C ATOM 0 H LEU A 52 2.989 -3.898 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 52 4.192 -2.597 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.777 -5.250 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.539 -4.649 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 52 2.589 -5.294 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.091 -7.203 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.987 -7.298 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.819 -6.781 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.521 -5.023 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.228 -4.520 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.998 -3.516 -0.492 1.00 0.00 H new ATOM 830 N THR A 53 6.246 -1.791 -3.074 1.00 0.00 N ATOM 831 CA THR A 53 7.334 -1.155 -3.793 1.00 0.00 C ATOM 832 C THR A 53 8.453 -0.778 -2.827 1.00 0.00 C ATOM 833 O THR A 53 8.355 -1.024 -1.625 1.00 0.00 O ATOM 834 CB THR A 53 6.831 0.099 -4.549 1.00 0.00 C ATOM 835 OG1 THR A 53 7.852 0.602 -5.425 1.00 0.00 O ATOM 836 CG2 THR A 53 6.407 1.194 -3.577 1.00 0.00 C ATOM 0 H THR A 53 6.162 -1.510 -2.097 1.00 0.00 H new ATOM 0 HA THR A 53 7.724 -1.862 -4.525 1.00 0.00 H new ATOM 0 HB THR A 53 5.964 -0.197 -5.140 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.518 1.393 -5.897 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.058 2.062 -4.136 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.602 0.825 -2.942 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.257 1.479 -2.957 1.00 0.00 H new ATOM 844 N ILE A 54 9.513 -0.194 -3.358 1.00 0.00 N ATOM 845 CA ILE A 54 10.640 0.234 -2.552 1.00 0.00 C ATOM 846 C ILE A 54 10.452 1.683 -2.111 1.00 0.00 C ATOM 847 O ILE A 54 10.135 2.555 -2.923 1.00 0.00 O ATOM 848 CB ILE A 54 11.970 0.039 -3.332 1.00 0.00 C ATOM 849 CG1 ILE A 54 12.710 -1.182 -2.781 1.00 0.00 C ATOM 850 CG2 ILE A 54 12.862 1.278 -3.293 1.00 0.00 C ATOM 851 CD1 ILE A 54 13.965 -1.535 -3.545 1.00 0.00 C ATOM 0 H ILE A 54 9.616 -0.004 -4.355 1.00 0.00 H new ATOM 0 HA ILE A 54 10.692 -0.383 -1.655 1.00 0.00 H new ATOM 0 HB ILE A 54 11.720 -0.125 -4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.971 -0.996 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 54 12.036 -2.039 -2.793 1.00 0.00 H new ATOM 0 HG21 ILE A 54 13.777 1.085 -3.853 1.00 0.00 H new ATOM 0 HG22 ILE A 54 12.334 2.121 -3.739 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.113 1.513 -2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 54 14.432 -2.410 -3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 54 13.710 -1.754 -4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 54 14.660 -0.696 -3.512 1.00 0.00 H new ATOM 863 N CYS A 55 10.597 1.923 -0.810 1.00 0.00 N ATOM 864 CA CYS A 55 10.478 3.269 -0.271 1.00 0.00 C ATOM 865 C CYS A 55 11.705 4.089 -0.648 1.00 0.00 C ATOM 866 O CYS A 55 12.726 3.518 -1.035 1.00 0.00 O ATOM 867 CB CYS A 55 10.287 3.247 1.257 1.00 0.00 C ATOM 868 SG CYS A 55 11.734 2.720 2.219 1.00 0.00 S ATOM 0 H CYS A 55 10.796 1.204 -0.115 1.00 0.00 H new ATOM 0 HA CYS A 55 9.593 3.734 -0.705 1.00 0.00 H new ATOM 0 HB2 CYS A 55 10.000 4.246 1.584 1.00 0.00 H new ATOM 0 HB3 CYS A 55 9.455 2.583 1.492 1.00 0.00 H new ATOM 873 N GLU A 56 11.610 5.407 -0.543 1.00 0.00 N ATOM 874 CA GLU A 56 12.712 6.288 -0.910 1.00 0.00 C ATOM 875 C GLU A 56 13.987 5.879 -0.174 1.00 0.00 C ATOM 876 O GLU A 56 15.072 5.866 -0.749 1.00 0.00 O ATOM 877 CB GLU A 56 12.340 7.731 -0.561 1.00 0.00 C ATOM 878 CG GLU A 56 13.285 8.774 -1.123 1.00 0.00 C ATOM 879 CD GLU A 56 13.178 8.898 -2.627 1.00 0.00 C ATOM 880 OE1 GLU A 56 14.028 8.332 -3.337 1.00 0.00 O ATOM 881 OE2 GLU A 56 12.239 9.565 -3.109 1.00 0.00 O ATOM 0 H GLU A 56 10.779 5.892 -0.206 1.00 0.00 H new ATOM 0 HA GLU A 56 12.895 6.209 -1.982 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.334 7.933 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.309 7.833 0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.070 9.740 -0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 56 14.309 8.515 -0.854 1.00 0.00 H new ATOM 888 N ASP A 57 13.836 5.509 1.093 1.00 0.00 N ATOM 889 CA ASP A 57 14.967 5.091 1.913 1.00 0.00 C ATOM 890 C ASP A 57 15.612 3.824 1.359 1.00 0.00 C ATOM 891 O ASP A 57 16.834 3.748 1.232 1.00 0.00 O ATOM 892 CB ASP A 57 14.527 4.872 3.356 1.00 0.00 C ATOM 893 CG ASP A 57 15.667 4.416 4.239 1.00 0.00 C ATOM 894 OD1 ASP A 57 16.635 5.186 4.415 1.00 0.00 O ATOM 895 OD2 ASP A 57 15.595 3.291 4.777 1.00 0.00 O ATOM 0 H ASP A 57 12.938 5.490 1.576 1.00 0.00 H new ATOM 0 HA ASP A 57 15.711 5.888 1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.112 5.799 3.752 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.730 4.129 3.382 1.00 0.00 H new ATOM 900 N CYS A 58 14.787 2.834 1.021 1.00 0.00 N ATOM 901 CA CYS A 58 15.282 1.624 0.370 1.00 0.00 C ATOM 902 C CYS A 58 15.998 1.983 -0.923 1.00 0.00 C ATOM 903 O CYS A 58 17.121 1.558 -1.154 1.00 0.00 O ATOM 904 CB CYS A 58 14.144 0.653 0.058 1.00 0.00 C ATOM 905 SG CYS A 58 13.654 -0.405 1.431 1.00 0.00 S ATOM 0 H CYS A 58 13.780 2.846 1.186 1.00 0.00 H new ATOM 0 HA CYS A 58 15.975 1.139 1.058 1.00 0.00 H new ATOM 0 HB2 CYS A 58 13.276 1.226 -0.268 1.00 0.00 H new ATOM 0 HB3 CYS A 58 14.443 0.022 -0.779 1.00 0.00 H new ATOM 910 N GLN A 59 15.327 2.780 -1.744 1.00 0.00 N ATOM 911 CA GLN A 59 15.887 3.293 -2.990 1.00 0.00 C ATOM 912 C GLN A 59 17.243 3.950 -2.757 1.00 0.00 C ATOM 913 O GLN A 59 18.191 3.734 -3.513 1.00 0.00 O ATOM 914 CB GLN A 59 14.904 4.304 -3.598 1.00 0.00 C ATOM 915 CG GLN A 59 15.518 5.250 -4.620 1.00 0.00 C ATOM 916 CD GLN A 59 16.114 4.535 -5.811 1.00 0.00 C ATOM 917 OE1 GLN A 59 15.542 3.402 -6.164 1.00 0.00 O flip ATOM 918 NE2 GLN A 59 17.082 5.006 -6.411 1.00 0.00 N flip ATOM 0 H GLN A 59 14.373 3.091 -1.564 1.00 0.00 H new ATOM 0 HA GLN A 59 16.039 2.462 -3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.089 3.758 -4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 59 14.466 4.894 -2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.754 5.945 -4.967 1.00 0.00 H new ATOM 0 HG3 GLN A 59 16.293 5.844 -4.136 1.00 0.00 H new ATOM 0 HE21 GLN A 59 17.494 5.887 -6.103 1.00 0.00 H new ATOM 0 HE22 GLN A 59 17.471 4.515 -7.216 1.00 0.00 H new ATOM 927 N GLU A 60 17.331 4.740 -1.707 1.00 0.00 N ATOM 928 CA GLU A 60 18.535 5.462 -1.406 1.00 0.00 C ATOM 929 C GLU A 60 19.663 4.534 -0.998 1.00 0.00 C ATOM 930 O GLU A 60 20.791 4.659 -1.483 1.00 0.00 O ATOM 931 CB GLU A 60 18.266 6.445 -0.283 1.00 0.00 C ATOM 932 CG GLU A 60 18.025 7.860 -0.733 1.00 0.00 C ATOM 933 CD GLU A 60 17.919 8.819 0.431 1.00 0.00 C ATOM 934 OE1 GLU A 60 18.955 9.396 0.818 1.00 0.00 O ATOM 935 OE2 GLU A 60 16.806 8.996 0.967 1.00 0.00 O ATOM 0 H GLU A 60 16.570 4.895 -1.045 1.00 0.00 H new ATOM 0 HA GLU A 60 18.842 5.989 -2.309 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.397 6.104 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 60 19.114 6.435 0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 60 18.838 8.175 -1.388 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.108 7.901 -1.320 1.00 0.00 H new ATOM 942 N ALA A 61 19.348 3.599 -0.114 1.00 0.00 N ATOM 943 CA ALA A 61 20.334 2.663 0.390 1.00 0.00 C ATOM 944 C ALA A 61 20.752 1.758 -0.736 1.00 0.00 C ATOM 945 O ALA A 61 21.890 1.324 -0.822 1.00 0.00 O ATOM 946 CB ALA A 61 19.762 1.856 1.542 1.00 0.00 C ATOM 0 H ALA A 61 18.411 3.471 0.269 1.00 0.00 H new ATOM 0 HA ALA A 61 21.201 3.206 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 61 20.516 1.159 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 61 19.469 2.529 2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 61 18.890 1.300 1.199 1.00 0.00 H new ATOM 952 N LEU A 62 19.795 1.510 -1.601 1.00 0.00 N ATOM 953 CA LEU A 62 19.967 0.692 -2.763 1.00 0.00 C ATOM 954 C LEU A 62 21.027 1.258 -3.697 1.00 0.00 C ATOM 955 O LEU A 62 21.992 0.581 -4.053 1.00 0.00 O ATOM 956 CB LEU A 62 18.634 0.624 -3.484 1.00 0.00 C ATOM 957 CG LEU A 62 18.203 -0.776 -3.828 1.00 0.00 C ATOM 958 CD1 LEU A 62 17.588 -1.466 -2.618 1.00 0.00 C ATOM 959 CD2 LEU A 62 17.255 -0.783 -5.015 1.00 0.00 C ATOM 0 H LEU A 62 18.852 1.886 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 62 20.301 -0.300 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 62 17.870 1.087 -2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 62 18.696 1.211 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 62 19.089 -1.341 -4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 62 17.284 -2.477 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 62 18.322 -1.513 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 62 16.717 -0.903 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 62 16.961 -1.808 -5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.369 -0.195 -4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.754 -0.350 -5.882 1.00 0.00 H new ATOM 971 N ASP A 63 20.825 2.497 -4.110 1.00 0.00 N ATOM 972 CA ASP A 63 21.753 3.163 -5.015 1.00 0.00 C ATOM 973 C ASP A 63 23.093 3.423 -4.331 1.00 0.00 C ATOM 974 O ASP A 63 24.140 3.418 -4.975 1.00 0.00 O ATOM 975 CB ASP A 63 21.159 4.472 -5.529 1.00 0.00 C ATOM 976 CG ASP A 63 22.030 5.119 -6.587 1.00 0.00 C ATOM 977 OD1 ASP A 63 22.055 4.608 -7.730 1.00 0.00 O ATOM 978 OD2 ASP A 63 22.688 6.137 -6.282 1.00 0.00 O ATOM 0 H ASP A 63 20.025 3.066 -3.834 1.00 0.00 H new ATOM 0 HA ASP A 63 21.925 2.501 -5.864 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.169 4.282 -5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 63 21.029 5.162 -4.695 1.00 0.00 H new ATOM 983 N ARG A 64 23.054 3.637 -3.025 1.00 0.00 N ATOM 984 CA ARG A 64 24.265 3.875 -2.248 1.00 0.00 C ATOM 985 C ARG A 64 25.062 2.582 -2.079 1.00 0.00 C ATOM 986 O ARG A 64 26.272 2.549 -2.311 1.00 0.00 O ATOM 987 CB ARG A 64 23.896 4.460 -0.882 1.00 0.00 C ATOM 988 CG ARG A 64 25.080 4.737 0.028 1.00 0.00 C ATOM 989 CD ARG A 64 24.625 5.395 1.320 1.00 0.00 C ATOM 990 NE ARG A 64 25.711 5.528 2.287 1.00 0.00 N ATOM 991 CZ ARG A 64 25.534 5.897 3.557 1.00 0.00 C ATOM 992 NH1 ARG A 64 24.326 6.227 3.996 1.00 0.00 N ATOM 993 NH2 ARG A 64 26.569 5.945 4.383 1.00 0.00 N ATOM 0 H ARG A 64 22.194 3.651 -2.477 1.00 0.00 H new ATOM 0 HA ARG A 64 24.891 4.589 -2.783 1.00 0.00 H new ATOM 0 HB2 ARG A 64 23.347 5.389 -1.036 1.00 0.00 H new ATOM 0 HB3 ARG A 64 23.220 3.770 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.598 3.805 0.252 1.00 0.00 H new ATOM 0 HG3 ARG A 64 25.794 5.383 -0.483 1.00 0.00 H new ATOM 0 HD2 ARG A 64 24.216 6.381 1.099 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.819 4.807 1.760 1.00 0.00 H new ATOM 0 HE ARG A 64 26.661 5.327 1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 64 23.528 6.199 3.362 1.00 0.00 H new ATOM 0 HH12 ARG A 64 24.196 6.508 4.968 1.00 0.00 H new ATOM 0 HH21 ARG A 64 27.501 5.700 4.048 1.00 0.00 H new ATOM 0 HH22 ARG A 64 26.434 6.227 5.354 1.00 0.00 H new ATOM 1007 N ASN A 65 24.375 1.518 -1.695 1.00 0.00 N ATOM 1008 CA ASN A 65 25.010 0.232 -1.450 1.00 0.00 C ATOM 1009 C ASN A 65 24.156 -0.906 -2.003 1.00 0.00 C ATOM 1010 O ASN A 65 23.072 -1.187 -1.493 1.00 0.00 O ATOM 1011 CB ASN A 65 25.234 0.032 0.049 1.00 0.00 C ATOM 1012 CG ASN A 65 25.810 -1.331 0.390 1.00 0.00 C ATOM 1013 OD1 ASN A 65 26.529 -1.943 -0.405 1.00 0.00 O ATOM 1014 ND2 ASN A 65 25.495 -1.816 1.580 1.00 0.00 N ATOM 0 H ASN A 65 23.366 1.520 -1.545 1.00 0.00 H new ATOM 0 HA ASN A 65 25.973 0.223 -1.960 1.00 0.00 H new ATOM 0 HB2 ASN A 65 25.908 0.806 0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 65 24.286 0.160 0.572 1.00 0.00 H new ATOM 0 HD21 ASN A 65 25.850 -2.728 1.869 1.00 0.00 H new ATOM 0 HD22 ASN A 65 24.898 -1.278 2.208 1.00 0.00 H new ATOM 1021 N PRO A 66 24.645 -1.573 -3.059 1.00 0.00 N ATOM 1022 CA PRO A 66 23.960 -2.720 -3.668 1.00 0.00 C ATOM 1023 C PRO A 66 23.803 -3.881 -2.688 1.00 0.00 C ATOM 1024 O PRO A 66 22.943 -4.747 -2.855 1.00 0.00 O ATOM 1025 CB PRO A 66 24.879 -3.130 -4.823 1.00 0.00 C ATOM 1026 CG PRO A 66 25.774 -1.961 -5.059 1.00 0.00 C ATOM 1027 CD PRO A 66 25.899 -1.247 -3.749 1.00 0.00 C ATOM 0 HA PRO A 66 22.950 -2.462 -3.985 1.00 0.00 H new ATOM 0 HB2 PRO A 66 25.455 -4.019 -4.568 1.00 0.00 H new ATOM 0 HB3 PRO A 66 24.302 -3.369 -5.717 1.00 0.00 H new ATOM 0 HG2 PRO A 66 26.750 -2.287 -5.417 1.00 0.00 H new ATOM 0 HG3 PRO A 66 25.358 -1.302 -5.821 1.00 0.00 H new ATOM 0 HD2 PRO A 66 26.767 -1.590 -3.186 1.00 0.00 H new ATOM 0 HD3 PRO A 66 26.013 -0.172 -3.887 1.00 0.00 H new ATOM 1035 N HIS A 67 24.638 -3.887 -1.657 1.00 0.00 N ATOM 1036 CA HIS A 67 24.599 -4.925 -0.636 1.00 0.00 C ATOM 1037 C HIS A 67 23.766 -4.444 0.547 1.00 0.00 C ATOM 1038 O HIS A 67 24.219 -4.473 1.693 1.00 0.00 O ATOM 1039 CB HIS A 67 26.018 -5.278 -0.169 1.00 0.00 C ATOM 1040 CG HIS A 67 26.907 -5.812 -1.254 1.00 0.00 C ATOM 1041 ND1 HIS A 67 27.322 -7.124 -1.311 1.00 0.00 N ATOM 1042 CD2 HIS A 67 27.474 -5.196 -2.319 1.00 0.00 C ATOM 1043 CE1 HIS A 67 28.104 -7.292 -2.361 1.00 0.00 C ATOM 1044 NE2 HIS A 67 28.211 -6.137 -2.991 1.00 0.00 N ATOM 0 H HIS A 67 25.356 -3.178 -1.506 1.00 0.00 H new ATOM 0 HA HIS A 67 24.145 -5.820 -1.061 1.00 0.00 H new ATOM 0 HB2 HIS A 67 26.480 -4.388 0.259 1.00 0.00 H new ATOM 0 HB3 HIS A 67 25.953 -6.018 0.629 1.00 0.00 H new ATOM 0 HD2 HIS A 67 27.366 -4.156 -2.589 1.00 0.00 H new ATOM 0 HE1 HIS A 67 28.576 -8.218 -2.655 1.00 0.00 H new ATOM 0 HE2 HIS A 67 28.753 -5.972 -3.839 1.00 0.00 H new ATOM 1053 N TYR A 68 22.551 -3.994 0.243 1.00 0.00 N ATOM 1054 CA TYR A 68 21.657 -3.387 1.227 1.00 0.00 C ATOM 1055 C TYR A 68 21.445 -4.304 2.430 1.00 0.00 C ATOM 1056 O TYR A 68 20.883 -5.391 2.309 1.00 0.00 O ATOM 1057 CB TYR A 68 20.314 -3.048 0.560 1.00 0.00 C ATOM 1058 CG TYR A 68 19.327 -2.292 1.435 1.00 0.00 C ATOM 1059 CD1 TYR A 68 19.715 -1.696 2.631 1.00 0.00 C ATOM 1060 CD2 TYR A 68 17.997 -2.169 1.049 1.00 0.00 C ATOM 1061 CE1 TYR A 68 18.809 -1.005 3.413 1.00 0.00 C ATOM 1062 CE2 TYR A 68 17.086 -1.480 1.828 1.00 0.00 C ATOM 1063 CZ TYR A 68 17.496 -0.902 3.007 1.00 0.00 C ATOM 1064 OH TYR A 68 16.593 -0.208 3.782 1.00 0.00 O ATOM 0 H TYR A 68 22.157 -4.040 -0.697 1.00 0.00 H new ATOM 0 HA TYR A 68 22.119 -2.471 1.595 1.00 0.00 H new ATOM 0 HB2 TYR A 68 20.510 -2.455 -0.334 1.00 0.00 H new ATOM 0 HB3 TYR A 68 19.846 -3.976 0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 68 20.743 -1.775 2.954 1.00 0.00 H new ATOM 0 HD2 TYR A 68 17.670 -2.620 0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 68 19.128 -0.548 4.338 1.00 0.00 H new ATOM 0 HE2 TYR A 68 16.057 -1.396 1.512 1.00 0.00 H new ATOM 0 HH TYR A 68 15.711 -0.229 3.355 1.00 0.00 H new ATOM 1074 N HIS A 69 21.917 -3.852 3.583 1.00 0.00 N ATOM 1075 CA HIS A 69 21.767 -4.589 4.832 1.00 0.00 C ATOM 1076 C HIS A 69 20.312 -4.568 5.294 1.00 0.00 C ATOM 1077 O HIS A 69 19.811 -3.537 5.750 1.00 0.00 O ATOM 1078 CB HIS A 69 22.679 -3.973 5.900 1.00 0.00 C ATOM 1079 CG HIS A 69 22.521 -4.556 7.273 1.00 0.00 C ATOM 1080 ND1 HIS A 69 21.888 -3.889 8.301 1.00 0.00 N ATOM 1081 CD2 HIS A 69 22.934 -5.736 7.793 1.00 0.00 C ATOM 1082 CE1 HIS A 69 21.920 -4.631 9.391 1.00 0.00 C ATOM 1083 NE2 HIS A 69 22.547 -5.757 9.109 1.00 0.00 N ATOM 0 H HIS A 69 22.414 -2.966 3.680 1.00 0.00 H new ATOM 0 HA HIS A 69 22.055 -5.628 4.671 1.00 0.00 H new ATOM 0 HB2 HIS A 69 23.716 -4.094 5.586 1.00 0.00 H new ATOM 0 HB3 HIS A 69 22.484 -2.902 5.951 1.00 0.00 H new ATOM 0 HD2 HIS A 69 23.468 -6.515 7.270 1.00 0.00 H new ATOM 0 HE1 HIS A 69 21.504 -4.363 10.351 1.00 0.00 H new ATOM 0 HE2 HIS A 69 22.717 -6.520 9.764 1.00 0.00 H new ATOM 1092 N GLU A 70 19.636 -5.699 5.166 1.00 0.00 N ATOM 1093 CA GLU A 70 18.243 -5.797 5.577 1.00 0.00 C ATOM 1094 C GLU A 70 18.049 -6.879 6.626 1.00 0.00 C ATOM 1095 O GLU A 70 16.916 -7.169 7.018 1.00 0.00 O ATOM 1096 CB GLU A 70 17.347 -6.082 4.375 1.00 0.00 C ATOM 1097 CG GLU A 70 17.349 -4.979 3.335 1.00 0.00 C ATOM 1098 CD GLU A 70 16.236 -5.143 2.331 1.00 0.00 C ATOM 1099 OE1 GLU A 70 16.402 -5.915 1.365 1.00 0.00 O ATOM 1100 OE2 GLU A 70 15.174 -4.512 2.510 1.00 0.00 O ATOM 0 H GLU A 70 20.027 -6.559 4.782 1.00 0.00 H new ATOM 0 HA GLU A 70 17.964 -4.839 6.015 1.00 0.00 H new ATOM 0 HB2 GLU A 70 17.669 -7.012 3.906 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.326 -6.238 4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 70 17.250 -4.014 3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 70 18.307 -4.973 2.815 1.00 0.00 H new ATOM 1107 N TYR A 71 19.161 -7.470 7.067 1.00 0.00 N ATOM 1108 CA TYR A 71 19.151 -8.533 8.073 1.00 0.00 C ATOM 1109 C TYR A 71 18.547 -9.813 7.495 1.00 0.00 C ATOM 1110 O TYR A 71 19.277 -10.747 7.163 1.00 0.00 O ATOM 1111 CB TYR A 71 18.391 -8.085 9.332 1.00 0.00 C ATOM 1112 CG TYR A 71 18.495 -9.041 10.500 1.00 0.00 C ATOM 1113 CD1 TYR A 71 19.471 -8.869 11.472 1.00 0.00 C ATOM 1114 CD2 TYR A 71 17.615 -10.106 10.636 1.00 0.00 C ATOM 1115 CE1 TYR A 71 19.565 -9.730 12.547 1.00 0.00 C ATOM 1116 CE2 TYR A 71 17.706 -10.973 11.706 1.00 0.00 C ATOM 1117 CZ TYR A 71 18.681 -10.780 12.659 1.00 0.00 C ATOM 1118 OH TYR A 71 18.774 -11.638 13.731 1.00 0.00 O ATOM 0 H TYR A 71 20.094 -7.225 6.736 1.00 0.00 H new ATOM 0 HA TYR A 71 20.181 -8.744 8.361 1.00 0.00 H new ATOM 0 HB2 TYR A 71 18.768 -7.110 9.642 1.00 0.00 H new ATOM 0 HB3 TYR A 71 17.339 -7.954 9.079 1.00 0.00 H new ATOM 0 HD1 TYR A 71 20.168 -8.048 11.386 1.00 0.00 H new ATOM 0 HD2 TYR A 71 16.847 -10.259 9.892 1.00 0.00 H new ATOM 0 HE1 TYR A 71 20.328 -9.581 13.297 1.00 0.00 H new ATOM 0 HE2 TYR A 71 17.016 -11.799 11.795 1.00 0.00 H new ATOM 0 HH TYR A 71 18.077 -12.324 13.663 1.00 0.00 H new ATOM 1128 N HIS A 72 17.219 -9.831 7.361 1.00 0.00 N ATOM 1129 CA HIS A 72 16.487 -10.966 6.795 1.00 0.00 C ATOM 1130 C HIS A 72 16.714 -12.242 7.603 1.00 0.00 C ATOM 1131 O HIS A 72 17.678 -12.970 7.375 1.00 0.00 O ATOM 1132 CB HIS A 72 16.891 -11.185 5.332 1.00 0.00 C ATOM 1133 CG HIS A 72 16.137 -12.285 4.647 1.00 0.00 C ATOM 1134 ND1 HIS A 72 16.636 -13.563 4.504 1.00 0.00 N ATOM 1135 CD2 HIS A 72 14.920 -12.292 4.055 1.00 0.00 C ATOM 1136 CE1 HIS A 72 15.760 -14.305 3.855 1.00 0.00 C ATOM 1137 NE2 HIS A 72 14.708 -13.560 3.571 1.00 0.00 N ATOM 0 H HIS A 72 16.619 -9.056 7.643 1.00 0.00 H new ATOM 0 HA HIS A 72 15.424 -10.729 6.840 1.00 0.00 H new ATOM 0 HB2 HIS A 72 16.738 -10.257 4.781 1.00 0.00 H new ATOM 0 HB3 HIS A 72 17.957 -11.409 5.290 1.00 0.00 H new ATOM 0 HD2 HIS A 72 14.241 -11.456 3.977 1.00 0.00 H new ATOM 0 HE1 HIS A 72 15.883 -15.347 3.599 1.00 0.00 H new ATOM 0 HE2 HIS A 72 13.875 -13.874 3.074 1.00 0.00 H new ATOM 1146 N THR A 73 15.817 -12.509 8.540 1.00 0.00 N ATOM 1147 CA THR A 73 15.903 -13.711 9.354 1.00 0.00 C ATOM 1148 C THR A 73 15.707 -14.954 8.487 1.00 0.00 C ATOM 1149 O THR A 73 14.558 -15.207 8.065 1.00 0.00 O ATOM 1150 CB THR A 73 14.851 -13.699 10.480 1.00 0.00 C ATOM 1151 OG1 THR A 73 14.891 -12.444 11.173 1.00 0.00 O ATOM 1152 CG2 THR A 73 15.100 -14.831 11.468 1.00 0.00 C ATOM 1153 OXT THR A 73 16.701 -15.660 8.218 1.00 0.00 O ATOM 0 H THR A 73 15.021 -11.909 8.755 1.00 0.00 H new ATOM 0 HA THR A 73 16.895 -13.735 9.806 1.00 0.00 H new ATOM 0 HB THR A 73 13.869 -13.838 10.029 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.219 -12.443 11.886 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.345 -14.801 12.253 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.045 -15.787 10.947 1.00 0.00 H new ATOM 0 HG23 THR A 73 16.089 -14.716 11.912 1.00 0.00 H new TER 1161 THR A 73 HETATM 1162 ZN ZN A 101 11.752 0.428 2.415 1.00 0.00 ZN