USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 522 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 34 HIS HD1 : A 34 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 14 ASN : amide:sc= -8.21! C(o=-12!,f=-20!) USER MOD Set 1.2: A 72 ASN : amide:sc= -3.93! C(o=-12!,f=-14!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 28:sc= 0.314 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 152:sc= -0.282 (180deg=-1.17) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -2.2 K(o=-2.2,f=-9.9!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -5.66! C(o=-5.7!,f=-7.2!) USER MOD Single : A 45 LYS NZ :NH3+ -170:sc= 0.193 (180deg=-0.287!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -117:sc= -1.3! (180deg=-2.98!) USER MOD Single : A 54 THR OG1 : rot 110:sc= -0.86 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -100:sc= -0.843 USER MOD Single : A 68 LYS NZ :NH3+ -136:sc= 0.61 (180deg=0.016) USER MOD Single : A 73 SER OG : rot -11:sc= 0.695! USER MOD Single : A 75 LYS NZ :NH3+ 166:sc= 0.792 (180deg=0.732) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.710 15.837 12.983 1.00 0.00 N ATOM 2 CA GLY A 1 -3.469 16.065 11.767 1.00 0.00 C ATOM 3 C GLY A 1 -3.929 14.773 11.120 1.00 0.00 C ATOM 4 O GLY A 1 -3.220 14.198 10.295 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.419 16.750 13.387 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.301 15.327 13.670 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.866 15.270 12.764 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.337 16.683 11.995 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.857 16.624 11.060 1.00 0.00 H new ATOM 8 N SER A 2 -5.119 14.315 11.498 1.00 0.00 N ATOM 9 CA SER A 2 -5.669 13.080 10.952 1.00 0.00 C ATOM 10 C SER A 2 -5.817 13.173 9.437 1.00 0.00 C ATOM 11 O SER A 2 -6.426 14.107 8.917 1.00 0.00 O ATOM 12 CB SER A 2 -7.028 12.778 11.590 1.00 0.00 C ATOM 13 OG SER A 2 -7.985 13.760 11.238 1.00 0.00 O ATOM 0 H SER A 2 -5.719 14.780 12.179 1.00 0.00 H new ATOM 0 HA SER A 2 -4.977 12.270 11.183 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.374 11.796 11.268 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.924 12.739 12.674 1.00 0.00 H new ATOM 0 HG SER A 2 -7.754 14.145 10.367 1.00 0.00 H new ATOM 19 N SER A 3 -5.251 12.197 8.733 1.00 0.00 N ATOM 20 CA SER A 3 -5.314 12.170 7.276 1.00 0.00 C ATOM 21 C SER A 3 -6.761 12.231 6.794 1.00 0.00 C ATOM 22 O SER A 3 -7.695 12.052 7.574 1.00 0.00 O ATOM 23 CB SER A 3 -4.638 10.907 6.739 1.00 0.00 C ATOM 24 OG SER A 3 -3.335 10.758 7.275 1.00 0.00 O ATOM 0 H SER A 3 -4.744 11.415 9.148 1.00 0.00 H new ATOM 0 HA SER A 3 -4.786 13.045 6.897 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.240 10.034 6.991 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.584 10.954 5.651 1.00 0.00 H new ATOM 0 HG SER A 3 -2.925 9.943 6.917 1.00 0.00 H new ATOM 30 N GLY A 4 -6.936 12.486 5.501 1.00 0.00 N ATOM 31 CA GLY A 4 -8.271 12.567 4.936 1.00 0.00 C ATOM 32 C GLY A 4 -8.261 13.016 3.488 1.00 0.00 C ATOM 33 O GLY A 4 -8.742 12.304 2.607 1.00 0.00 O ATOM 0 H GLY A 4 -6.178 12.638 4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.752 11.592 5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.870 13.262 5.525 1.00 0.00 H new ATOM 37 N SER A 5 -7.710 14.201 3.241 1.00 0.00 N ATOM 38 CA SER A 5 -7.646 14.746 1.890 1.00 0.00 C ATOM 39 C SER A 5 -6.200 15.015 1.483 1.00 0.00 C ATOM 40 O SER A 5 -5.914 15.972 0.763 1.00 0.00 O ATOM 41 CB SER A 5 -8.460 16.037 1.799 1.00 0.00 C ATOM 42 OG SER A 5 -9.851 15.769 1.877 1.00 0.00 O ATOM 0 H SER A 5 -7.302 14.801 3.958 1.00 0.00 H new ATOM 0 HA SER A 5 -8.069 14.009 1.207 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.170 16.711 2.605 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.236 16.547 0.862 1.00 0.00 H new ATOM 0 HG SER A 5 -10.350 16.610 1.818 1.00 0.00 H new ATOM 48 N SER A 6 -5.293 14.162 1.948 1.00 0.00 N ATOM 49 CA SER A 6 -3.876 14.308 1.636 1.00 0.00 C ATOM 50 C SER A 6 -3.574 13.798 0.230 1.00 0.00 C ATOM 51 O SER A 6 -3.488 12.593 0.000 1.00 0.00 O ATOM 52 CB SER A 6 -3.026 13.552 2.659 1.00 0.00 C ATOM 53 OG SER A 6 -3.571 13.669 3.961 1.00 0.00 O ATOM 0 H SER A 6 -5.514 13.363 2.542 1.00 0.00 H new ATOM 0 HA SER A 6 -3.627 15.368 1.680 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.966 12.500 2.380 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.009 13.943 2.651 1.00 0.00 H new ATOM 0 HG SER A 6 -3.010 13.176 4.596 1.00 0.00 H new ATOM 59 N GLY A 7 -3.411 14.727 -0.708 1.00 0.00 N ATOM 60 CA GLY A 7 -3.122 14.353 -2.080 1.00 0.00 C ATOM 61 C GLY A 7 -1.638 14.393 -2.390 1.00 0.00 C ATOM 62 O GLY A 7 -1.238 14.758 -3.495 1.00 0.00 O ATOM 0 H GLY A 7 -3.474 15.731 -0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.503 13.349 -2.268 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.650 15.026 -2.756 1.00 0.00 H new ATOM 66 N MET A 8 -0.821 14.019 -1.412 1.00 0.00 N ATOM 67 CA MET A 8 0.627 14.015 -1.586 1.00 0.00 C ATOM 68 C MET A 8 1.196 12.614 -1.385 1.00 0.00 C ATOM 69 O MET A 8 2.411 12.423 -1.367 1.00 0.00 O ATOM 70 CB MET A 8 1.283 14.989 -0.606 1.00 0.00 C ATOM 71 CG MET A 8 0.807 14.824 0.827 1.00 0.00 C ATOM 72 SD MET A 8 1.165 16.264 1.850 1.00 0.00 S ATOM 73 CE MET A 8 0.168 17.512 1.039 1.00 0.00 C ATOM 0 H MET A 8 -1.136 13.715 -0.491 1.00 0.00 H new ATOM 0 HA MET A 8 0.845 14.334 -2.605 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.364 14.851 -0.639 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.081 16.010 -0.932 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.267 14.640 0.830 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.282 13.946 1.264 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.126 18.271 1.764 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.746 17.977 0.241 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.724 17.048 0.618 1.00 0.00 H new ATOM 83 N ALA A 9 0.307 11.636 -1.235 1.00 0.00 N ATOM 84 CA ALA A 9 0.720 10.253 -1.037 1.00 0.00 C ATOM 85 C ALA A 9 1.099 9.598 -2.361 1.00 0.00 C ATOM 86 O ALA A 9 0.231 9.207 -3.142 1.00 0.00 O ATOM 87 CB ALA A 9 -0.387 9.464 -0.353 1.00 0.00 C ATOM 0 H ALA A 9 -0.703 11.777 -1.247 1.00 0.00 H new ATOM 0 HA ALA A 9 1.601 10.251 -0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.065 8.432 -0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.607 9.912 0.616 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.283 9.482 -0.973 1.00 0.00 H new ATOM 93 N LEU A 10 2.399 9.482 -2.607 1.00 0.00 N ATOM 94 CA LEU A 10 2.893 8.874 -3.839 1.00 0.00 C ATOM 95 C LEU A 10 2.927 7.354 -3.720 1.00 0.00 C ATOM 96 O LEU A 10 3.325 6.809 -2.690 1.00 0.00 O ATOM 97 CB LEU A 10 4.290 9.403 -4.166 1.00 0.00 C ATOM 98 CG LEU A 10 4.514 10.898 -3.938 1.00 0.00 C ATOM 99 CD1 LEU A 10 5.898 11.310 -4.412 1.00 0.00 C ATOM 100 CD2 LEU A 10 3.441 11.712 -4.647 1.00 0.00 C ATOM 0 H LEU A 10 3.130 9.800 -1.971 1.00 0.00 H new ATOM 0 HA LEU A 10 2.211 9.141 -4.647 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.014 8.852 -3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.506 9.179 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 10 4.446 11.097 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.038 12.377 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.653 10.752 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.996 11.097 -5.476 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.616 12.774 -4.474 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.477 11.508 -5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.460 11.438 -4.258 1.00 0.00 H new ATOM 112 N LEU A 11 2.509 6.674 -4.782 1.00 0.00 N ATOM 113 CA LEU A 11 2.493 5.215 -4.798 1.00 0.00 C ATOM 114 C LEU A 11 3.884 4.659 -5.081 1.00 0.00 C ATOM 115 O LEU A 11 4.469 4.922 -6.132 1.00 0.00 O ATOM 116 CB LEU A 11 1.505 4.708 -5.851 1.00 0.00 C ATOM 117 CG LEU A 11 1.457 3.193 -6.051 1.00 0.00 C ATOM 118 CD1 LEU A 11 1.637 2.473 -4.724 1.00 0.00 C ATOM 119 CD2 LEU A 11 0.148 2.783 -6.708 1.00 0.00 C ATOM 0 H LEU A 11 2.177 7.109 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 11 2.176 4.869 -3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.507 5.050 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.752 5.173 -6.806 1.00 0.00 H new ATOM 0 HG LEU A 11 2.277 2.907 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.600 1.396 -4.887 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.601 2.742 -4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.839 2.764 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.132 1.701 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.687 3.083 -6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.060 3.271 -7.679 1.00 0.00 H new ATOM 131 N CYS A 12 4.410 3.886 -4.136 1.00 0.00 N ATOM 132 CA CYS A 12 5.733 3.290 -4.283 1.00 0.00 C ATOM 133 C CYS A 12 5.733 2.231 -5.382 1.00 0.00 C ATOM 134 O CYS A 12 4.745 1.525 -5.579 1.00 0.00 O ATOM 135 CB CYS A 12 6.184 2.667 -2.961 1.00 0.00 C ATOM 136 SG CYS A 12 7.972 2.333 -2.868 1.00 0.00 S ATOM 0 H CYS A 12 3.940 3.658 -3.260 1.00 0.00 H new ATOM 0 HA CYS A 12 6.431 4.079 -4.562 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.907 3.334 -2.144 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.642 1.733 -2.808 1.00 0.00 H new ATOM 141 N TYR A 13 6.849 2.128 -6.096 1.00 0.00 N ATOM 142 CA TYR A 13 6.978 1.158 -7.177 1.00 0.00 C ATOM 143 C TYR A 13 8.207 0.276 -6.973 1.00 0.00 C ATOM 144 O TYR A 13 8.889 -0.087 -7.930 1.00 0.00 O ATOM 145 CB TYR A 13 7.068 1.874 -8.525 1.00 0.00 C ATOM 146 CG TYR A 13 5.752 2.453 -8.993 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.865 1.694 -9.744 1.00 0.00 C ATOM 148 CD2 TYR A 13 5.396 3.760 -8.682 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.661 2.219 -10.174 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.194 4.293 -9.106 1.00 0.00 C ATOM 151 CZ TYR A 13 3.330 3.519 -9.852 1.00 0.00 C ATOM 152 OH TYR A 13 2.132 4.045 -10.277 1.00 0.00 O ATOM 0 H TYR A 13 7.677 2.704 -5.945 1.00 0.00 H new ATOM 0 HA TYR A 13 6.092 0.523 -7.169 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.803 2.676 -8.452 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.434 1.173 -9.275 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.120 0.675 -9.997 1.00 0.00 H new ATOM 0 HD2 TYR A 13 6.071 4.369 -8.099 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.983 1.615 -10.759 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.932 5.310 -8.855 1.00 0.00 H new ATOM 0 HH TYR A 13 2.052 4.971 -9.965 1.00 0.00 H new ATOM 162 N ASN A 14 8.481 -0.065 -5.718 1.00 0.00 N ATOM 163 CA ASN A 14 9.627 -0.904 -5.387 1.00 0.00 C ATOM 164 C ASN A 14 9.175 -2.303 -4.976 1.00 0.00 C ATOM 165 O ASN A 14 8.363 -2.461 -4.065 1.00 0.00 O ATOM 166 CB ASN A 14 10.444 -0.268 -4.261 1.00 0.00 C ATOM 167 CG ASN A 14 10.991 1.094 -4.643 1.00 0.00 C ATOM 168 OD1 ASN A 14 11.445 1.299 -5.768 1.00 0.00 O ATOM 169 ND2 ASN A 14 10.951 2.032 -3.704 1.00 0.00 N ATOM 0 H ASN A 14 7.925 0.227 -4.914 1.00 0.00 H new ATOM 0 HA ASN A 14 10.252 -0.989 -6.276 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.819 -0.170 -3.373 1.00 0.00 H new ATOM 0 HB3 ASN A 14 11.271 -0.928 -3.998 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.306 2.968 -3.902 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.565 1.817 -2.784 1.00 0.00 H new ATOM 176 N ARG A 15 9.709 -3.314 -5.654 1.00 0.00 N ATOM 177 CA ARG A 15 9.361 -4.698 -5.360 1.00 0.00 C ATOM 178 C ARG A 15 9.378 -4.955 -3.856 1.00 0.00 C ATOM 179 O ARG A 15 10.408 -4.803 -3.201 1.00 0.00 O ATOM 180 CB ARG A 15 10.331 -5.650 -6.061 1.00 0.00 C ATOM 181 CG ARG A 15 10.540 -5.332 -7.533 1.00 0.00 C ATOM 182 CD ARG A 15 11.031 -6.548 -8.302 1.00 0.00 C ATOM 183 NE ARG A 15 11.127 -6.287 -9.736 1.00 0.00 N ATOM 184 CZ ARG A 15 10.087 -6.325 -10.562 1.00 0.00 C ATOM 185 NH1 ARG A 15 8.879 -6.612 -10.098 1.00 0.00 N ATOM 186 NH2 ARG A 15 10.255 -6.075 -11.854 1.00 0.00 N ATOM 0 H ARG A 15 10.384 -3.200 -6.410 1.00 0.00 H new ATOM 0 HA ARG A 15 8.352 -4.879 -5.731 1.00 0.00 H new ATOM 0 HB2 ARG A 15 11.293 -5.615 -5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 15 9.957 -6.670 -5.968 1.00 0.00 H new ATOM 0 HG2 ARG A 15 9.604 -4.980 -7.967 1.00 0.00 H new ATOM 0 HG3 ARG A 15 11.262 -4.522 -7.632 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.008 -6.847 -7.922 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.353 -7.384 -8.130 1.00 0.00 H new ATOM 0 HE ARG A 15 12.043 -6.063 -10.125 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.746 -6.804 -9.105 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.082 -6.641 -10.734 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.183 -5.853 -12.214 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.456 -6.104 -12.487 1.00 0.00 H new ATOM 200 N GLY A 16 8.228 -5.346 -3.314 1.00 0.00 N ATOM 201 CA GLY A 16 8.132 -5.617 -1.892 1.00 0.00 C ATOM 202 C GLY A 16 7.337 -4.560 -1.152 1.00 0.00 C ATOM 203 O GLY A 16 6.868 -4.791 -0.037 1.00 0.00 O ATOM 0 H GLY A 16 7.361 -5.480 -3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.665 -6.590 -1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.134 -5.676 -1.468 1.00 0.00 H new ATOM 207 N CYS A 17 7.186 -3.394 -1.772 1.00 0.00 N ATOM 208 CA CYS A 17 6.444 -2.296 -1.166 1.00 0.00 C ATOM 209 C CYS A 17 5.113 -2.079 -1.879 1.00 0.00 C ATOM 210 O CYS A 17 4.049 -2.376 -1.336 1.00 0.00 O ATOM 211 CB CYS A 17 7.273 -1.010 -1.206 1.00 0.00 C ATOM 212 SG CYS A 17 6.981 0.107 0.203 1.00 0.00 S ATOM 0 H CYS A 17 7.568 -3.186 -2.694 1.00 0.00 H new ATOM 0 HA CYS A 17 6.240 -2.557 -0.128 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.330 -1.273 -1.234 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.052 -0.477 -2.131 1.00 0.00 H new ATOM 217 N GLY A 18 5.181 -1.559 -3.101 1.00 0.00 N ATOM 218 CA GLY A 18 3.974 -1.311 -3.869 1.00 0.00 C ATOM 219 C GLY A 18 2.910 -0.592 -3.064 1.00 0.00 C ATOM 220 O GLY A 18 1.734 -0.604 -3.426 1.00 0.00 O ATOM 0 H GLY A 18 6.049 -1.305 -3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.223 -0.717 -4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.574 -2.260 -4.228 1.00 0.00 H new ATOM 224 N GLN A 19 3.325 0.035 -1.967 1.00 0.00 N ATOM 225 CA GLN A 19 2.396 0.760 -1.106 1.00 0.00 C ATOM 226 C GLN A 19 2.594 2.266 -1.242 1.00 0.00 C ATOM 227 O GLN A 19 3.563 2.723 -1.847 1.00 0.00 O ATOM 228 CB GLN A 19 2.585 0.338 0.352 1.00 0.00 C ATOM 229 CG GLN A 19 2.209 -1.110 0.620 1.00 0.00 C ATOM 230 CD GLN A 19 0.832 -1.251 1.238 1.00 0.00 C ATOM 231 OE1 GLN A 19 0.699 -1.411 2.452 1.00 0.00 O ATOM 232 NE2 GLN A 19 -0.200 -1.192 0.405 1.00 0.00 N ATOM 0 H GLN A 19 4.296 0.056 -1.654 1.00 0.00 H new ATOM 0 HA GLN A 19 1.381 0.515 -1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.626 0.492 0.634 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.983 0.985 0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 19 2.242 -1.669 -0.315 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.949 -1.556 1.285 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.042 -1.058 -0.594 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.151 -1.280 0.764 1.00 0.00 H new ATOM 241 N ARG A 20 1.668 3.032 -0.675 1.00 0.00 N ATOM 242 CA ARG A 20 1.738 4.487 -0.734 1.00 0.00 C ATOM 243 C ARG A 20 2.740 5.025 0.284 1.00 0.00 C ATOM 244 O ARG A 20 3.242 4.282 1.127 1.00 0.00 O ATOM 245 CB ARG A 20 0.359 5.097 -0.479 1.00 0.00 C ATOM 246 CG ARG A 20 -0.610 4.915 -1.635 1.00 0.00 C ATOM 247 CD ARG A 20 -0.454 6.015 -2.673 1.00 0.00 C ATOM 248 NE ARG A 20 -1.706 6.287 -3.376 1.00 0.00 N ATOM 249 CZ ARG A 20 -2.724 6.948 -2.836 1.00 0.00 C ATOM 250 NH1 ARG A 20 -2.638 7.402 -1.593 1.00 0.00 N ATOM 251 NH2 ARG A 20 -3.829 7.155 -3.539 1.00 0.00 N ATOM 0 H ARG A 20 0.860 2.669 -0.169 1.00 0.00 H new ATOM 0 HA ARG A 20 2.073 4.769 -1.732 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.068 4.646 0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.474 6.162 -0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.441 3.945 -2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.632 4.913 -1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.107 6.926 -2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.311 5.727 -3.394 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.804 5.951 -4.334 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.789 7.244 -1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.421 7.909 -1.180 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.898 6.807 -4.495 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.610 7.663 -3.124 1.00 0.00 H new ATOM 265 N PHE A 21 3.026 6.320 0.198 1.00 0.00 N ATOM 266 CA PHE A 21 3.969 6.956 1.110 1.00 0.00 C ATOM 267 C PHE A 21 3.934 8.474 0.956 1.00 0.00 C ATOM 268 O PHE A 21 3.344 9.000 0.012 1.00 0.00 O ATOM 269 CB PHE A 21 5.385 6.439 0.856 1.00 0.00 C ATOM 270 CG PHE A 21 5.959 6.882 -0.459 1.00 0.00 C ATOM 271 CD1 PHE A 21 5.740 6.143 -1.610 1.00 0.00 C ATOM 272 CD2 PHE A 21 6.717 8.039 -0.544 1.00 0.00 C ATOM 273 CE1 PHE A 21 6.267 6.549 -2.822 1.00 0.00 C ATOM 274 CE2 PHE A 21 7.247 8.450 -1.753 1.00 0.00 C ATOM 275 CZ PHE A 21 7.021 7.704 -2.893 1.00 0.00 C ATOM 0 H PHE A 21 2.618 6.949 -0.494 1.00 0.00 H new ATOM 0 HA PHE A 21 3.676 6.705 2.129 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.037 6.779 1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.377 5.350 0.891 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.151 5.239 -1.560 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.896 8.626 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.089 5.964 -3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.837 9.353 -1.806 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.433 8.023 -3.839 1.00 0.00 H new ATOM 285 N ASP A 22 4.570 9.172 1.890 1.00 0.00 N ATOM 286 CA ASP A 22 4.613 10.630 1.859 1.00 0.00 C ATOM 287 C ASP A 22 6.035 11.126 1.611 1.00 0.00 C ATOM 288 O ASP A 22 6.974 10.780 2.329 1.00 0.00 O ATOM 289 CB ASP A 22 4.082 11.205 3.172 1.00 0.00 C ATOM 290 CG ASP A 22 2.724 10.640 3.544 1.00 0.00 C ATOM 291 OD1 ASP A 22 1.922 10.372 2.626 1.00 0.00 O ATOM 292 OD2 ASP A 22 2.464 10.467 4.753 1.00 0.00 O ATOM 0 H ASP A 22 5.063 8.752 2.678 1.00 0.00 H new ATOM 0 HA ASP A 22 3.980 10.970 1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.792 10.993 3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.011 12.289 3.088 1.00 0.00 H new ATOM 297 N PRO A 23 6.198 11.955 0.569 1.00 0.00 N ATOM 298 CA PRO A 23 7.502 12.516 0.202 1.00 0.00 C ATOM 299 C PRO A 23 8.002 13.536 1.219 1.00 0.00 C ATOM 300 O PRO A 23 9.194 13.600 1.513 1.00 0.00 O ATOM 301 CB PRO A 23 7.231 13.191 -1.145 1.00 0.00 C ATOM 302 CG PRO A 23 5.775 13.508 -1.123 1.00 0.00 C ATOM 303 CD PRO A 23 5.125 12.409 -0.329 1.00 0.00 C ATOM 0 HA PRO A 23 8.278 11.752 0.163 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.831 14.093 -1.264 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.480 12.531 -1.976 1.00 0.00 H new ATOM 0 HG2 PRO A 23 5.594 14.480 -0.665 1.00 0.00 H new ATOM 0 HG3 PRO A 23 5.370 13.552 -2.134 1.00 0.00 H new ATOM 0 HD2 PRO A 23 4.262 12.773 0.228 1.00 0.00 H new ATOM 0 HD3 PRO A 23 4.772 11.603 -0.973 1.00 0.00 H new ATOM 311 N GLU A 24 7.080 14.333 1.753 1.00 0.00 N ATOM 312 CA GLU A 24 7.429 15.351 2.737 1.00 0.00 C ATOM 313 C GLU A 24 8.198 14.738 3.904 1.00 0.00 C ATOM 314 O GLU A 24 8.840 15.446 4.680 1.00 0.00 O ATOM 315 CB GLU A 24 6.168 16.048 3.251 1.00 0.00 C ATOM 316 CG GLU A 24 5.094 15.086 3.731 1.00 0.00 C ATOM 317 CD GLU A 24 3.834 15.798 4.184 1.00 0.00 C ATOM 318 OE1 GLU A 24 3.804 17.045 4.129 1.00 0.00 O ATOM 319 OE2 GLU A 24 2.877 15.107 4.594 1.00 0.00 O ATOM 0 H GLU A 24 6.088 14.293 1.521 1.00 0.00 H new ATOM 0 HA GLU A 24 8.069 16.087 2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.439 16.714 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.757 16.671 2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.846 14.393 2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.487 14.491 4.555 1.00 0.00 H new ATOM 326 N THR A 25 8.125 13.416 4.024 1.00 0.00 N ATOM 327 CA THR A 25 8.811 12.707 5.097 1.00 0.00 C ATOM 328 C THR A 25 9.683 11.586 4.545 1.00 0.00 C ATOM 329 O THR A 25 10.663 11.184 5.172 1.00 0.00 O ATOM 330 CB THR A 25 7.811 12.113 6.107 1.00 0.00 C ATOM 331 OG1 THR A 25 8.349 10.921 6.688 1.00 0.00 O ATOM 332 CG2 THR A 25 6.483 11.800 5.433 1.00 0.00 C ATOM 0 H THR A 25 7.598 12.815 3.391 1.00 0.00 H new ATOM 0 HA THR A 25 9.440 13.437 5.606 1.00 0.00 H new ATOM 0 HB THR A 25 7.639 12.851 6.890 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.707 10.551 7.330 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.793 11.382 6.166 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.061 12.715 5.018 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.643 11.079 4.632 1.00 0.00 H new ATOM 340 N ASN A 26 9.323 11.086 3.368 1.00 0.00 N ATOM 341 CA ASN A 26 10.074 10.010 2.732 1.00 0.00 C ATOM 342 C ASN A 26 11.576 10.214 2.914 1.00 0.00 C ATOM 343 O ASN A 26 12.108 11.280 2.608 1.00 0.00 O ATOM 344 CB ASN A 26 9.735 9.935 1.242 1.00 0.00 C ATOM 345 CG ASN A 26 10.379 8.743 0.561 1.00 0.00 C ATOM 346 OD1 ASN A 26 11.050 7.935 1.204 1.00 0.00 O ATOM 347 ND2 ASN A 26 10.177 8.627 -0.746 1.00 0.00 N ATOM 0 H ASN A 26 8.516 11.409 2.835 1.00 0.00 H new ATOM 0 HA ASN A 26 9.792 9.072 3.209 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.653 9.878 1.121 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.063 10.851 0.751 1.00 0.00 H new ATOM 0 HD21 ASN A 26 10.585 7.845 -1.258 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.614 9.320 -1.239 1.00 0.00 H new ATOM 354 N SER A 27 12.250 9.184 3.414 1.00 0.00 N ATOM 355 CA SER A 27 13.689 9.250 3.640 1.00 0.00 C ATOM 356 C SER A 27 14.380 7.996 3.115 1.00 0.00 C ATOM 357 O SER A 27 13.767 7.177 2.429 1.00 0.00 O ATOM 358 CB SER A 27 13.986 9.423 5.131 1.00 0.00 C ATOM 359 OG SER A 27 15.033 10.355 5.338 1.00 0.00 O ATOM 0 H SER A 27 11.823 8.294 3.670 1.00 0.00 H new ATOM 0 HA SER A 27 14.077 10.112 3.097 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.087 9.761 5.647 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.260 8.461 5.564 1.00 0.00 H new ATOM 0 HG SER A 27 15.202 10.449 6.299 1.00 0.00 H new ATOM 365 N ASP A 28 15.660 7.851 3.443 1.00 0.00 N ATOM 366 CA ASP A 28 16.435 6.696 3.006 1.00 0.00 C ATOM 367 C ASP A 28 16.182 5.497 3.914 1.00 0.00 C ATOM 368 O ASP A 28 16.736 4.418 3.702 1.00 0.00 O ATOM 369 CB ASP A 28 17.927 7.034 2.989 1.00 0.00 C ATOM 370 CG ASP A 28 18.802 5.797 3.055 1.00 0.00 C ATOM 371 OD1 ASP A 28 19.103 5.343 4.179 1.00 0.00 O ATOM 372 OD2 ASP A 28 19.184 5.283 1.983 1.00 0.00 O ATOM 0 H ASP A 28 16.182 8.519 4.010 1.00 0.00 H new ATOM 0 HA ASP A 28 16.118 6.437 1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 28 18.160 7.592 2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.159 7.685 3.832 1.00 0.00 H new ATOM 377 N ASP A 29 15.344 5.694 4.926 1.00 0.00 N ATOM 378 CA ASP A 29 15.018 4.629 5.867 1.00 0.00 C ATOM 379 C ASP A 29 13.519 4.594 6.150 1.00 0.00 C ATOM 380 O ASP A 29 13.094 4.266 7.257 1.00 0.00 O ATOM 381 CB ASP A 29 15.792 4.817 7.172 1.00 0.00 C ATOM 382 CG ASP A 29 15.422 6.104 7.884 1.00 0.00 C ATOM 383 OD1 ASP A 29 14.214 6.347 8.079 1.00 0.00 O ATOM 384 OD2 ASP A 29 16.342 6.867 8.246 1.00 0.00 O ATOM 0 H ASP A 29 14.878 6.581 5.116 1.00 0.00 H new ATOM 0 HA ASP A 29 15.307 3.679 5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.597 3.971 7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.861 4.817 6.960 1.00 0.00 H new ATOM 389 N ALA A 30 12.723 4.936 5.142 1.00 0.00 N ATOM 390 CA ALA A 30 11.273 4.944 5.283 1.00 0.00 C ATOM 391 C ALA A 30 10.625 3.945 4.331 1.00 0.00 C ATOM 392 O ALA A 30 9.446 3.613 4.470 1.00 0.00 O ATOM 393 CB ALA A 30 10.726 6.342 5.036 1.00 0.00 C ATOM 0 H ALA A 30 13.059 5.211 4.219 1.00 0.00 H new ATOM 0 HA ALA A 30 11.030 4.646 6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.641 6.333 5.145 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.157 7.034 5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.987 6.662 4.027 1.00 0.00 H new ATOM 399 N CYS A 31 11.399 3.468 3.362 1.00 0.00 N ATOM 400 CA CYS A 31 10.900 2.507 2.386 1.00 0.00 C ATOM 401 C CYS A 31 11.651 1.183 2.492 1.00 0.00 C ATOM 402 O CYS A 31 12.882 1.156 2.532 1.00 0.00 O ATOM 403 CB CYS A 31 11.035 3.071 0.970 1.00 0.00 C ATOM 404 SG CYS A 31 10.448 1.946 -0.337 1.00 0.00 S ATOM 0 H CYS A 31 12.376 3.732 3.232 1.00 0.00 H new ATOM 0 HA CYS A 31 9.847 2.324 2.599 1.00 0.00 H new ATOM 0 HB2 CYS A 31 10.477 4.005 0.908 1.00 0.00 H new ATOM 0 HB3 CYS A 31 12.082 3.312 0.784 1.00 0.00 H new ATOM 409 N THR A 32 10.903 0.086 2.538 1.00 0.00 N ATOM 410 CA THR A 32 11.497 -1.241 2.640 1.00 0.00 C ATOM 411 C THR A 32 11.125 -2.104 1.440 1.00 0.00 C ATOM 412 O THR A 32 10.039 -2.682 1.391 1.00 0.00 O ATOM 413 CB THR A 32 11.052 -1.957 3.930 1.00 0.00 C ATOM 414 OG1 THR A 32 10.830 -0.999 4.970 1.00 0.00 O ATOM 415 CG2 THR A 32 12.099 -2.965 4.377 1.00 0.00 C ATOM 0 H THR A 32 9.884 0.090 2.506 1.00 0.00 H new ATOM 0 HA THR A 32 12.578 -1.103 2.663 1.00 0.00 H new ATOM 0 HB THR A 32 10.123 -2.489 3.723 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.546 -1.462 5.786 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.763 -3.458 5.289 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.244 -3.710 3.595 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.041 -2.451 4.568 1.00 0.00 H new ATOM 423 N TYR A 33 12.032 -2.187 0.474 1.00 0.00 N ATOM 424 CA TYR A 33 11.799 -2.979 -0.728 1.00 0.00 C ATOM 425 C TYR A 33 12.928 -3.981 -0.948 1.00 0.00 C ATOM 426 O TYR A 33 13.839 -4.100 -0.127 1.00 0.00 O ATOM 427 CB TYR A 33 11.667 -2.066 -1.948 1.00 0.00 C ATOM 428 CG TYR A 33 12.903 -1.237 -2.221 1.00 0.00 C ATOM 429 CD1 TYR A 33 13.188 -0.110 -1.461 1.00 0.00 C ATOM 430 CD2 TYR A 33 13.783 -1.582 -3.239 1.00 0.00 C ATOM 431 CE1 TYR A 33 14.316 0.651 -1.707 1.00 0.00 C ATOM 432 CE2 TYR A 33 14.913 -0.828 -3.491 1.00 0.00 C ATOM 433 CZ TYR A 33 15.175 0.287 -2.723 1.00 0.00 C ATOM 434 OH TYR A 33 16.299 1.041 -2.971 1.00 0.00 O ATOM 0 H TYR A 33 12.936 -1.715 0.499 1.00 0.00 H new ATOM 0 HA TYR A 33 10.869 -3.531 -0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 33 11.447 -2.675 -2.825 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.817 -1.399 -1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 33 12.517 0.177 -0.665 1.00 0.00 H new ATOM 0 HD2 TYR A 33 13.581 -2.454 -3.843 1.00 0.00 H new ATOM 0 HE1 TYR A 33 14.523 1.525 -1.107 1.00 0.00 H new ATOM 0 HE2 TYR A 33 15.588 -1.110 -4.286 1.00 0.00 H new ATOM 0 HH TYR A 33 16.798 0.649 -3.718 1.00 0.00 H new ATOM 444 N HIS A 34 12.865 -4.699 -2.065 1.00 0.00 N ATOM 445 CA HIS A 34 13.882 -5.690 -2.396 1.00 0.00 C ATOM 446 C HIS A 34 14.608 -5.315 -3.685 1.00 0.00 C ATOM 447 O HIS A 34 14.064 -5.424 -4.785 1.00 0.00 O ATOM 448 CB HIS A 34 13.247 -7.075 -2.538 1.00 0.00 C ATOM 449 CG HIS A 34 12.625 -7.581 -1.273 1.00 0.00 C ATOM 450 ND1 HIS A 34 13.365 -8.048 -0.206 1.00 0.00 N ATOM 451 CD2 HIS A 34 11.327 -7.691 -0.907 1.00 0.00 C ATOM 452 CE1 HIS A 34 12.546 -8.425 0.761 1.00 0.00 C ATOM 453 NE2 HIS A 34 11.304 -8.218 0.361 1.00 0.00 N ATOM 0 H HIS A 34 12.120 -4.613 -2.756 1.00 0.00 H new ATOM 0 HA HIS A 34 14.609 -5.713 -1.585 1.00 0.00 H new ATOM 0 HB2 HIS A 34 12.486 -7.039 -3.318 1.00 0.00 H new ATOM 0 HB3 HIS A 34 14.008 -7.783 -2.867 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.469 -7.416 -1.502 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.842 -8.833 1.716 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.465 -8.417 0.905 1.00 0.00 H new ATOM 461 N PRO A 35 15.862 -4.862 -3.548 1.00 0.00 N ATOM 462 CA PRO A 35 16.688 -4.462 -4.691 1.00 0.00 C ATOM 463 C PRO A 35 17.106 -5.651 -5.549 1.00 0.00 C ATOM 464 O PRO A 35 17.855 -5.500 -6.513 1.00 0.00 O ATOM 465 CB PRO A 35 17.913 -3.818 -4.036 1.00 0.00 C ATOM 466 CG PRO A 35 17.992 -4.443 -2.686 1.00 0.00 C ATOM 467 CD PRO A 35 16.571 -4.707 -2.267 1.00 0.00 C ATOM 0 HA PRO A 35 16.151 -3.798 -5.368 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.817 -4.008 -4.614 1.00 0.00 H new ATOM 0 HB3 PRO A 35 17.802 -2.736 -3.966 1.00 0.00 H new ATOM 0 HG2 PRO A 35 18.568 -5.368 -2.717 1.00 0.00 H new ATOM 0 HG3 PRO A 35 18.491 -3.781 -1.978 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.493 -5.604 -1.653 1.00 0.00 H new ATOM 0 HD3 PRO A 35 16.165 -3.883 -1.680 1.00 0.00 H new ATOM 475 N GLY A 36 16.617 -6.834 -5.191 1.00 0.00 N ATOM 476 CA GLY A 36 16.951 -8.032 -5.940 1.00 0.00 C ATOM 477 C GLY A 36 15.832 -8.471 -6.862 1.00 0.00 C ATOM 478 O GLY A 36 15.066 -7.644 -7.358 1.00 0.00 O ATOM 0 H GLY A 36 15.996 -6.985 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.851 -7.850 -6.527 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.182 -8.839 -5.244 1.00 0.00 H new ATOM 482 N VAL A 37 15.736 -9.776 -7.095 1.00 0.00 N ATOM 483 CA VAL A 37 14.701 -10.324 -7.965 1.00 0.00 C ATOM 484 C VAL A 37 14.085 -11.581 -7.361 1.00 0.00 C ATOM 485 O VAL A 37 14.701 -12.280 -6.557 1.00 0.00 O ATOM 486 CB VAL A 37 15.261 -10.659 -9.360 1.00 0.00 C ATOM 487 CG1 VAL A 37 15.165 -9.450 -10.278 1.00 0.00 C ATOM 488 CG2 VAL A 37 16.698 -11.146 -9.254 1.00 0.00 C ATOM 0 H VAL A 37 16.362 -10.474 -6.694 1.00 0.00 H new ATOM 0 HA VAL A 37 13.932 -9.558 -8.065 1.00 0.00 H new ATOM 0 HB VAL A 37 14.661 -11.461 -9.791 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.565 -9.705 -11.259 1.00 0.00 H new ATOM 0 HG12 VAL A 37 14.122 -9.151 -10.378 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.739 -8.626 -9.855 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.078 -11.378 -10.249 1.00 0.00 H new ATOM 0 HG22 VAL A 37 17.314 -10.368 -8.803 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.734 -12.042 -8.634 1.00 0.00 H new ATOM 498 N PRO A 38 12.839 -11.877 -7.758 1.00 0.00 N ATOM 499 CA PRO A 38 12.111 -13.052 -7.269 1.00 0.00 C ATOM 500 C PRO A 38 12.694 -14.357 -7.799 1.00 0.00 C ATOM 501 O PRO A 38 12.778 -14.565 -9.010 1.00 0.00 O ATOM 502 CB PRO A 38 10.694 -12.842 -7.810 1.00 0.00 C ATOM 503 CG PRO A 38 10.872 -11.981 -9.013 1.00 0.00 C ATOM 504 CD PRO A 38 12.043 -11.088 -8.714 1.00 0.00 C ATOM 0 HA PRO A 38 12.160 -13.139 -6.184 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.224 -13.791 -8.068 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.055 -12.361 -7.070 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.059 -12.585 -9.901 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.974 -11.395 -9.209 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.611 -10.856 -9.615 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.725 -10.138 -8.284 1.00 0.00 H new ATOM 512 N VAL A 39 13.097 -15.235 -6.885 1.00 0.00 N ATOM 513 CA VAL A 39 13.671 -16.521 -7.261 1.00 0.00 C ATOM 514 C VAL A 39 12.885 -17.674 -6.647 1.00 0.00 C ATOM 515 O VAL A 39 12.590 -17.672 -5.452 1.00 0.00 O ATOM 516 CB VAL A 39 15.144 -16.627 -6.823 1.00 0.00 C ATOM 517 CG1 VAL A 39 15.349 -15.959 -5.472 1.00 0.00 C ATOM 518 CG2 VAL A 39 15.583 -18.083 -6.779 1.00 0.00 C ATOM 0 H VAL A 39 13.036 -15.078 -5.879 1.00 0.00 H new ATOM 0 HA VAL A 39 13.617 -16.587 -8.348 1.00 0.00 H new ATOM 0 HB VAL A 39 15.761 -16.107 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 39 16.395 -16.044 -5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.076 -14.906 -5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.723 -16.448 -4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 39 16.626 -18.139 -6.468 1.00 0.00 H new ATOM 0 HG22 VAL A 39 14.962 -18.629 -6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.476 -18.526 -7.769 1.00 0.00 H new ATOM 528 N PHE A 40 12.549 -18.660 -7.473 1.00 0.00 N ATOM 529 CA PHE A 40 11.797 -19.821 -7.012 1.00 0.00 C ATOM 530 C PHE A 40 12.594 -21.104 -7.223 1.00 0.00 C ATOM 531 O PHE A 40 12.581 -21.686 -8.308 1.00 0.00 O ATOM 532 CB PHE A 40 10.458 -19.912 -7.748 1.00 0.00 C ATOM 533 CG PHE A 40 9.953 -18.586 -8.240 1.00 0.00 C ATOM 534 CD1 PHE A 40 9.911 -17.489 -7.395 1.00 0.00 C ATOM 535 CD2 PHE A 40 9.521 -18.436 -9.548 1.00 0.00 C ATOM 536 CE1 PHE A 40 9.446 -16.268 -7.845 1.00 0.00 C ATOM 537 CE2 PHE A 40 9.054 -17.217 -10.003 1.00 0.00 C ATOM 538 CZ PHE A 40 9.018 -16.132 -9.151 1.00 0.00 C ATOM 0 H PHE A 40 12.786 -18.678 -8.465 1.00 0.00 H new ATOM 0 HA PHE A 40 11.610 -19.702 -5.945 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.564 -20.589 -8.596 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.715 -20.350 -7.081 1.00 0.00 H new ATOM 0 HD1 PHE A 40 10.245 -17.589 -6.373 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.549 -19.281 -10.220 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.417 -15.421 -7.176 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.718 -17.114 -11.024 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.656 -15.178 -9.505 1.00 0.00 H new ATOM 548 N HIS A 41 13.289 -21.541 -6.177 1.00 0.00 N ATOM 549 CA HIS A 41 14.094 -22.756 -6.246 1.00 0.00 C ATOM 550 C HIS A 41 13.660 -23.755 -5.178 1.00 0.00 C ATOM 551 O HIS A 41 13.512 -23.403 -4.008 1.00 0.00 O ATOM 552 CB HIS A 41 15.576 -22.422 -6.078 1.00 0.00 C ATOM 553 CG HIS A 41 15.885 -21.696 -4.805 1.00 0.00 C ATOM 554 ND1 HIS A 41 16.795 -22.159 -3.877 1.00 0.00 N ATOM 555 CD2 HIS A 41 15.401 -20.534 -4.308 1.00 0.00 C ATOM 556 CE1 HIS A 41 16.856 -21.313 -2.864 1.00 0.00 C ATOM 557 NE2 HIS A 41 16.021 -20.318 -3.101 1.00 0.00 N ATOM 0 H HIS A 41 13.311 -21.072 -5.272 1.00 0.00 H new ATOM 0 HA HIS A 41 13.942 -23.209 -7.226 1.00 0.00 H new ATOM 0 HB2 HIS A 41 16.154 -23.346 -6.110 1.00 0.00 H new ATOM 0 HB3 HIS A 41 15.901 -21.813 -6.922 1.00 0.00 H new ATOM 0 HD1 HIS A 41 17.336 -23.020 -3.960 1.00 0.00 H new ATOM 0 HD2 HIS A 41 14.665 -19.895 -4.773 1.00 0.00 H new ATOM 0 HE1 HIS A 41 17.482 -21.418 -1.990 1.00 0.00 H new ATOM 565 N ASP A 42 13.459 -25.002 -5.589 1.00 0.00 N ATOM 566 CA ASP A 42 13.043 -26.053 -4.667 1.00 0.00 C ATOM 567 C ASP A 42 11.767 -25.657 -3.932 1.00 0.00 C ATOM 568 O ASP A 42 11.594 -25.974 -2.755 1.00 0.00 O ATOM 569 CB ASP A 42 14.156 -26.348 -3.660 1.00 0.00 C ATOM 570 CG ASP A 42 15.504 -26.538 -4.327 1.00 0.00 C ATOM 571 OD1 ASP A 42 15.802 -27.675 -4.750 1.00 0.00 O ATOM 572 OD2 ASP A 42 16.261 -25.550 -4.427 1.00 0.00 O ATOM 0 H ASP A 42 13.577 -25.310 -6.554 1.00 0.00 H new ATOM 0 HA ASP A 42 12.842 -26.953 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.220 -25.529 -2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.903 -27.246 -3.096 1.00 0.00 H new ATOM 577 N ALA A 43 10.877 -24.963 -4.633 1.00 0.00 N ATOM 578 CA ALA A 43 9.616 -24.524 -4.047 1.00 0.00 C ATOM 579 C ALA A 43 9.831 -23.351 -3.098 1.00 0.00 C ATOM 580 O ALA A 43 8.900 -22.904 -2.426 1.00 0.00 O ATOM 581 CB ALA A 43 8.943 -25.678 -3.320 1.00 0.00 C ATOM 0 H ALA A 43 11.006 -24.692 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 43 8.965 -24.189 -4.854 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.003 -25.337 -2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.746 -26.486 -4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.597 -26.039 -2.527 1.00 0.00 H new ATOM 587 N LEU A 44 11.062 -22.855 -3.046 1.00 0.00 N ATOM 588 CA LEU A 44 11.399 -21.733 -2.177 1.00 0.00 C ATOM 589 C LEU A 44 11.410 -20.423 -2.959 1.00 0.00 C ATOM 590 O LEU A 44 12.366 -20.120 -3.672 1.00 0.00 O ATOM 591 CB LEU A 44 12.764 -21.960 -1.524 1.00 0.00 C ATOM 592 CG LEU A 44 13.061 -23.390 -1.070 1.00 0.00 C ATOM 593 CD1 LEU A 44 14.503 -23.513 -0.604 1.00 0.00 C ATOM 594 CD2 LEU A 44 12.104 -23.808 0.036 1.00 0.00 C ATOM 0 H LEU A 44 11.844 -23.212 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 44 10.637 -21.666 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.537 -21.656 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.845 -21.301 -0.659 1.00 0.00 H new ATOM 0 HG LEU A 44 12.917 -24.058 -1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 44 14.696 -24.537 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 44 15.174 -23.256 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 44 14.675 -22.834 0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.330 -24.828 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.216 -23.136 0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.079 -23.760 -0.332 1.00 0.00 H new ATOM 606 N LYS A 45 10.339 -19.648 -2.819 1.00 0.00 N ATOM 607 CA LYS A 45 10.224 -18.369 -3.509 1.00 0.00 C ATOM 608 C LYS A 45 10.731 -17.230 -2.630 1.00 0.00 C ATOM 609 O LYS A 45 10.177 -16.960 -1.565 1.00 0.00 O ATOM 610 CB LYS A 45 8.769 -18.110 -3.908 1.00 0.00 C ATOM 611 CG LYS A 45 8.155 -19.232 -4.727 1.00 0.00 C ATOM 612 CD LYS A 45 6.644 -19.096 -4.813 1.00 0.00 C ATOM 613 CE LYS A 45 5.952 -19.827 -3.672 1.00 0.00 C ATOM 614 NZ LYS A 45 6.370 -21.255 -3.596 1.00 0.00 N ATOM 0 H LYS A 45 9.538 -19.884 -2.233 1.00 0.00 H new ATOM 0 HA LYS A 45 10.839 -18.413 -4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.174 -17.962 -3.006 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.717 -17.183 -4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.580 -19.226 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.410 -20.192 -4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.371 -18.041 -4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.296 -19.494 -5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.182 -19.330 -2.729 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.872 -19.771 -3.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.759 -21.760 -2.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.285 -21.692 -4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.358 -21.311 -3.276 1.00 0.00 H new ATOM 628 N GLY A 46 11.789 -16.564 -3.084 1.00 0.00 N ATOM 629 CA GLY A 46 12.352 -15.461 -2.327 1.00 0.00 C ATOM 630 C GLY A 46 13.052 -14.449 -3.212 1.00 0.00 C ATOM 631 O GLY A 46 12.649 -14.229 -4.355 1.00 0.00 O ATOM 0 H GLY A 46 12.266 -16.769 -3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 46 11.558 -14.964 -1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.060 -15.850 -1.595 1.00 0.00 H new ATOM 635 N TRP A 47 14.101 -13.830 -2.684 1.00 0.00 N ATOM 636 CA TRP A 47 14.858 -12.833 -3.433 1.00 0.00 C ATOM 637 C TRP A 47 16.358 -13.012 -3.217 1.00 0.00 C ATOM 638 O TRP A 47 16.795 -13.396 -2.132 1.00 0.00 O ATOM 639 CB TRP A 47 14.436 -11.423 -3.018 1.00 0.00 C ATOM 640 CG TRP A 47 12.953 -11.207 -3.076 1.00 0.00 C ATOM 641 CD1 TRP A 47 12.024 -11.666 -2.188 1.00 0.00 C ATOM 642 CD2 TRP A 47 12.231 -10.479 -4.075 1.00 0.00 C ATOM 643 NE1 TRP A 47 10.767 -11.267 -2.574 1.00 0.00 N ATOM 644 CE2 TRP A 47 10.868 -10.537 -3.729 1.00 0.00 C ATOM 645 CE3 TRP A 47 12.605 -9.781 -5.227 1.00 0.00 C ATOM 646 CZ2 TRP A 47 9.878 -9.925 -4.495 1.00 0.00 C ATOM 647 CZ3 TRP A 47 11.622 -9.175 -5.986 1.00 0.00 C ATOM 648 CH2 TRP A 47 10.273 -9.249 -5.618 1.00 0.00 C ATOM 0 H TRP A 47 14.447 -14.001 -1.740 1.00 0.00 H new ATOM 0 HA TRP A 47 14.643 -12.972 -4.493 1.00 0.00 H new ATOM 0 HB2 TRP A 47 14.785 -11.231 -2.003 1.00 0.00 H new ATOM 0 HB3 TRP A 47 14.928 -10.698 -3.667 1.00 0.00 H new ATOM 0 HD1 TRP A 47 12.244 -12.256 -1.311 1.00 0.00 H new ATOM 0 HE1 TRP A 47 9.900 -11.480 -2.081 1.00 0.00 H new ATOM 0 HE3 TRP A 47 13.643 -9.717 -5.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.837 -9.982 -4.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 11.899 -8.635 -6.879 1.00 0.00 H new ATOM 0 HH2 TRP A 47 9.529 -8.763 -6.232 1.00 0.00 H new ATOM 659 N SER A 48 17.139 -12.730 -4.254 1.00 0.00 N ATOM 660 CA SER A 48 18.589 -12.864 -4.178 1.00 0.00 C ATOM 661 C SER A 48 19.201 -11.702 -3.400 1.00 0.00 C ATOM 662 O SER A 48 20.423 -11.563 -3.329 1.00 0.00 O ATOM 663 CB SER A 48 19.191 -12.925 -5.583 1.00 0.00 C ATOM 664 OG SER A 48 19.478 -11.626 -6.072 1.00 0.00 O ATOM 0 H SER A 48 16.792 -12.407 -5.157 1.00 0.00 H new ATOM 0 HA SER A 48 18.817 -13.791 -3.652 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.104 -13.520 -5.565 1.00 0.00 H new ATOM 0 HB3 SER A 48 18.497 -13.426 -6.258 1.00 0.00 H new ATOM 0 HG SER A 48 19.863 -11.692 -6.971 1.00 0.00 H new ATOM 670 N CYS A 49 18.342 -10.871 -2.818 1.00 0.00 N ATOM 671 CA CYS A 49 18.796 -9.721 -2.045 1.00 0.00 C ATOM 672 C CYS A 49 18.955 -10.084 -0.572 1.00 0.00 C ATOM 673 O CYS A 49 19.903 -9.655 0.087 1.00 0.00 O ATOM 674 CB CYS A 49 17.810 -8.560 -2.192 1.00 0.00 C ATOM 675 SG CYS A 49 16.077 -9.010 -1.856 1.00 0.00 S ATOM 0 H CYS A 49 17.328 -10.973 -2.867 1.00 0.00 H new ATOM 0 HA CYS A 49 19.768 -9.415 -2.432 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.104 -7.759 -1.514 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.881 -8.163 -3.204 1.00 0.00 H new ATOM 680 N CYS A 50 18.021 -10.879 -0.060 1.00 0.00 N ATOM 681 CA CYS A 50 18.056 -11.301 1.335 1.00 0.00 C ATOM 682 C CYS A 50 18.070 -12.823 1.443 1.00 0.00 C ATOM 683 O CYS A 50 17.971 -13.529 0.439 1.00 0.00 O ATOM 684 CB CYS A 50 16.849 -10.737 2.090 1.00 0.00 C ATOM 685 SG CYS A 50 15.295 -10.778 1.143 1.00 0.00 S ATOM 0 H CYS A 50 17.230 -11.244 -0.591 1.00 0.00 H new ATOM 0 HA CYS A 50 18.971 -10.914 1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.715 -11.302 3.013 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.061 -9.707 2.375 1.00 0.00 H new ATOM 690 N LYS A 51 18.195 -13.323 2.667 1.00 0.00 N ATOM 691 CA LYS A 51 18.222 -14.760 2.909 1.00 0.00 C ATOM 692 C LYS A 51 16.809 -15.312 3.065 1.00 0.00 C ATOM 693 O LYS A 51 16.573 -16.505 2.872 1.00 0.00 O ATOM 694 CB LYS A 51 19.045 -15.073 4.161 1.00 0.00 C ATOM 695 CG LYS A 51 18.988 -13.980 5.214 1.00 0.00 C ATOM 696 CD LYS A 51 19.598 -14.439 6.528 1.00 0.00 C ATOM 697 CE LYS A 51 18.958 -15.728 7.020 1.00 0.00 C ATOM 698 NZ LYS A 51 19.644 -16.932 6.473 1.00 0.00 N ATOM 0 H LYS A 51 18.279 -12.753 3.509 1.00 0.00 H new ATOM 0 HA LYS A 51 18.687 -15.239 2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 51 18.687 -16.006 4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 51 20.084 -15.234 3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 51 19.519 -13.099 4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 51 17.952 -13.684 5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.670 -14.590 6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 51 19.474 -13.660 7.280 1.00 0.00 H new ATOM 0 HE2 LYS A 51 18.989 -15.756 8.109 1.00 0.00 H new ATOM 0 HE3 LYS A 51 17.907 -15.746 6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.981 -17.469 5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 20.460 -16.636 5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.970 -17.532 7.257 1.00 0.00 H new ATOM 712 N ARG A 52 15.872 -14.437 3.414 1.00 0.00 N ATOM 713 CA ARG A 52 14.481 -14.837 3.596 1.00 0.00 C ATOM 714 C ARG A 52 14.026 -15.751 2.462 1.00 0.00 C ATOM 715 O ARG A 52 14.303 -15.489 1.291 1.00 0.00 O ATOM 716 CB ARG A 52 13.580 -13.604 3.665 1.00 0.00 C ATOM 717 CG ARG A 52 12.095 -13.932 3.625 1.00 0.00 C ATOM 718 CD ARG A 52 11.663 -14.707 4.859 1.00 0.00 C ATOM 719 NE ARG A 52 10.269 -14.443 5.211 1.00 0.00 N ATOM 720 CZ ARG A 52 9.724 -14.795 6.370 1.00 0.00 C ATOM 721 NH1 ARG A 52 10.451 -15.422 7.285 1.00 0.00 N ATOM 722 NH2 ARG A 52 8.450 -14.520 6.616 1.00 0.00 N ATOM 0 H ARG A 52 16.050 -13.446 3.577 1.00 0.00 H new ATOM 0 HA ARG A 52 14.406 -15.386 4.534 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.798 -13.056 4.582 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.820 -12.942 2.833 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.519 -13.009 3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.874 -14.516 2.731 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.796 -15.774 4.682 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.306 -14.440 5.698 1.00 0.00 H new ATOM 0 HE ARG A 52 9.683 -13.962 4.529 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.431 -15.635 7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.030 -15.691 8.174 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.888 -14.038 5.915 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.033 -14.791 7.506 1.00 0.00 H new ATOM 736 N ARG A 53 13.327 -16.823 2.817 1.00 0.00 N ATOM 737 CA ARG A 53 12.835 -17.777 1.830 1.00 0.00 C ATOM 738 C ARG A 53 11.560 -18.457 2.320 1.00 0.00 C ATOM 739 O ARG A 53 11.508 -18.974 3.436 1.00 0.00 O ATOM 740 CB ARG A 53 13.905 -18.829 1.529 1.00 0.00 C ATOM 741 CG ARG A 53 13.910 -19.295 0.082 1.00 0.00 C ATOM 742 CD ARG A 53 14.677 -18.333 -0.810 1.00 0.00 C ATOM 743 NE ARG A 53 15.914 -17.873 -0.183 1.00 0.00 N ATOM 744 CZ ARG A 53 16.965 -18.656 0.032 1.00 0.00 C ATOM 745 NH1 ARG A 53 16.930 -19.932 -0.329 1.00 0.00 N ATOM 746 NH2 ARG A 53 18.055 -18.164 0.608 1.00 0.00 N ATOM 0 H ARG A 53 13.088 -17.053 3.781 1.00 0.00 H new ATOM 0 HA ARG A 53 12.606 -17.230 0.915 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.885 -18.419 1.773 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.749 -19.690 2.179 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.358 -20.287 0.020 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.884 -19.386 -0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.910 -18.823 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.047 -17.474 -1.043 1.00 0.00 H new ATOM 0 HE ARG A 53 15.974 -16.896 0.106 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.095 -20.314 -0.773 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.738 -20.531 -0.163 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.086 -17.183 0.886 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.861 -18.767 0.772 1.00 0.00 H new ATOM 760 N THR A 54 10.532 -18.453 1.477 1.00 0.00 N ATOM 761 CA THR A 54 9.257 -19.068 1.823 1.00 0.00 C ATOM 762 C THR A 54 8.792 -20.021 0.729 1.00 0.00 C ATOM 763 O THR A 54 9.267 -19.963 -0.405 1.00 0.00 O ATOM 764 CB THR A 54 8.168 -18.006 2.061 1.00 0.00 C ATOM 765 OG1 THR A 54 6.976 -18.628 2.555 1.00 0.00 O ATOM 766 CG2 THR A 54 7.858 -17.252 0.777 1.00 0.00 C ATOM 0 H THR A 54 10.558 -18.030 0.549 1.00 0.00 H new ATOM 0 HA THR A 54 9.415 -19.628 2.745 1.00 0.00 H new ATOM 0 HB THR A 54 8.539 -17.296 2.800 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.844 -18.383 3.495 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.086 -16.507 0.970 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.760 -16.755 0.420 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.505 -17.952 0.020 1.00 0.00 H new ATOM 774 N THR A 55 7.856 -20.900 1.075 1.00 0.00 N ATOM 775 CA THR A 55 7.325 -21.867 0.122 1.00 0.00 C ATOM 776 C THR A 55 5.884 -21.538 -0.251 1.00 0.00 C ATOM 777 O THR A 55 5.302 -22.167 -1.134 1.00 0.00 O ATOM 778 CB THR A 55 7.384 -23.300 0.685 1.00 0.00 C ATOM 779 OG1 THR A 55 6.542 -23.408 1.838 1.00 0.00 O ATOM 780 CG2 THR A 55 8.809 -23.679 1.053 1.00 0.00 C ATOM 0 H THR A 55 7.450 -20.962 2.009 1.00 0.00 H new ATOM 0 HA THR A 55 7.950 -21.808 -0.769 1.00 0.00 H new ATOM 0 HB THR A 55 7.032 -23.985 -0.087 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.584 -24.322 2.189 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.825 -24.695 1.448 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.441 -23.625 0.166 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.185 -22.990 1.809 1.00 0.00 H new ATOM 788 N ASP A 56 5.314 -20.547 0.427 1.00 0.00 N ATOM 789 CA ASP A 56 3.941 -20.133 0.165 1.00 0.00 C ATOM 790 C ASP A 56 3.908 -18.885 -0.711 1.00 0.00 C ATOM 791 O ASP A 56 4.352 -17.813 -0.301 1.00 0.00 O ATOM 792 CB ASP A 56 3.207 -19.867 1.480 1.00 0.00 C ATOM 793 CG ASP A 56 2.601 -21.125 2.070 1.00 0.00 C ATOM 794 OD1 ASP A 56 3.219 -22.202 1.931 1.00 0.00 O ATOM 795 OD2 ASP A 56 1.512 -21.033 2.672 1.00 0.00 O ATOM 0 H ASP A 56 5.782 -20.016 1.162 1.00 0.00 H new ATOM 0 HA ASP A 56 3.438 -20.941 -0.366 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.901 -19.430 2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.419 -19.133 1.311 1.00 0.00 H new ATOM 800 N PHE A 57 3.379 -19.032 -1.922 1.00 0.00 N ATOM 801 CA PHE A 57 3.290 -17.918 -2.858 1.00 0.00 C ATOM 802 C PHE A 57 2.814 -16.651 -2.152 1.00 0.00 C ATOM 803 O PHE A 57 3.325 -15.559 -2.403 1.00 0.00 O ATOM 804 CB PHE A 57 2.339 -18.263 -4.006 1.00 0.00 C ATOM 805 CG PHE A 57 2.134 -17.134 -4.974 1.00 0.00 C ATOM 806 CD1 PHE A 57 3.217 -16.469 -5.523 1.00 0.00 C ATOM 807 CD2 PHE A 57 0.856 -16.738 -5.336 1.00 0.00 C ATOM 808 CE1 PHE A 57 3.031 -15.429 -6.414 1.00 0.00 C ATOM 809 CE2 PHE A 57 0.663 -15.699 -6.227 1.00 0.00 C ATOM 810 CZ PHE A 57 1.752 -15.044 -6.768 1.00 0.00 C ATOM 0 H PHE A 57 3.006 -19.912 -2.277 1.00 0.00 H new ATOM 0 HA PHE A 57 4.286 -17.736 -3.262 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.730 -19.126 -4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.374 -18.556 -3.592 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.219 -16.766 -5.252 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.001 -17.247 -4.917 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.885 -14.918 -6.833 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.338 -15.400 -6.500 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.604 -14.233 -7.466 1.00 0.00 H new ATOM 820 N SER A 58 1.834 -16.806 -1.268 1.00 0.00 N ATOM 821 CA SER A 58 1.286 -15.675 -0.528 1.00 0.00 C ATOM 822 C SER A 58 2.340 -15.065 0.390 1.00 0.00 C ATOM 823 O SER A 58 2.349 -13.857 0.627 1.00 0.00 O ATOM 824 CB SER A 58 0.072 -16.115 0.292 1.00 0.00 C ATOM 825 OG SER A 58 -0.474 -15.028 1.017 1.00 0.00 O ATOM 0 H SER A 58 1.403 -17.704 -1.047 1.00 0.00 H new ATOM 0 HA SER A 58 0.974 -14.918 -1.248 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.687 -16.532 -0.370 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.363 -16.907 0.982 1.00 0.00 H new ATOM 0 HG SER A 58 -1.250 -15.335 1.532 1.00 0.00 H new ATOM 831 N ASP A 59 3.228 -15.909 0.905 1.00 0.00 N ATOM 832 CA ASP A 59 4.288 -15.454 1.797 1.00 0.00 C ATOM 833 C ASP A 59 5.360 -14.693 1.023 1.00 0.00 C ATOM 834 O ASP A 59 5.880 -13.682 1.494 1.00 0.00 O ATOM 835 CB ASP A 59 4.915 -16.643 2.527 1.00 0.00 C ATOM 836 CG ASP A 59 4.191 -16.979 3.815 1.00 0.00 C ATOM 837 OD1 ASP A 59 3.352 -16.164 4.255 1.00 0.00 O ATOM 838 OD2 ASP A 59 4.459 -18.059 4.382 1.00 0.00 O ATOM 0 H ASP A 59 3.235 -16.912 0.720 1.00 0.00 H new ATOM 0 HA ASP A 59 3.847 -14.779 2.531 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.907 -17.514 1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.959 -16.420 2.748 1.00 0.00 H new ATOM 843 N PHE A 60 5.688 -15.188 -0.167 1.00 0.00 N ATOM 844 CA PHE A 60 6.700 -14.556 -1.005 1.00 0.00 C ATOM 845 C PHE A 60 6.394 -13.074 -1.203 1.00 0.00 C ATOM 846 O PHE A 60 7.304 -12.245 -1.265 1.00 0.00 O ATOM 847 CB PHE A 60 6.778 -15.258 -2.363 1.00 0.00 C ATOM 848 CG PHE A 60 7.189 -14.348 -3.485 1.00 0.00 C ATOM 849 CD1 PHE A 60 8.530 -14.139 -3.769 1.00 0.00 C ATOM 850 CD2 PHE A 60 6.236 -13.702 -4.255 1.00 0.00 C ATOM 851 CE1 PHE A 60 8.910 -13.302 -4.800 1.00 0.00 C ATOM 852 CE2 PHE A 60 6.611 -12.863 -5.288 1.00 0.00 C ATOM 853 CZ PHE A 60 7.951 -12.664 -5.562 1.00 0.00 C ATOM 0 H PHE A 60 5.267 -16.024 -0.572 1.00 0.00 H new ATOM 0 HA PHE A 60 7.662 -14.646 -0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.487 -16.083 -2.296 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.805 -15.692 -2.595 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.285 -14.636 -3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.188 -13.855 -4.046 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.958 -13.146 -5.010 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.858 -12.364 -5.880 1.00 0.00 H new ATOM 0 HZ PHE A 60 8.247 -12.011 -6.370 1.00 0.00 H new ATOM 863 N LEU A 61 5.110 -12.749 -1.300 1.00 0.00 N ATOM 864 CA LEU A 61 4.684 -11.367 -1.491 1.00 0.00 C ATOM 865 C LEU A 61 4.620 -10.627 -0.158 1.00 0.00 C ATOM 866 O LEU A 61 4.479 -9.405 -0.121 1.00 0.00 O ATOM 867 CB LEU A 61 3.318 -11.324 -2.177 1.00 0.00 C ATOM 868 CG LEU A 61 3.062 -12.402 -3.232 1.00 0.00 C ATOM 869 CD1 LEU A 61 1.575 -12.701 -3.340 1.00 0.00 C ATOM 870 CD2 LEU A 61 3.622 -11.971 -4.580 1.00 0.00 C ATOM 0 H LEU A 61 4.346 -13.423 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 61 5.418 -10.871 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.546 -11.403 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.201 -10.348 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 61 3.572 -13.314 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.412 -13.470 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.204 -13.053 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.041 -11.794 -3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.431 -12.749 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.140 -11.046 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.696 -11.809 -4.493 1.00 0.00 H new ATOM 882 N SER A 62 4.726 -11.377 0.934 1.00 0.00 N ATOM 883 CA SER A 62 4.677 -10.793 2.269 1.00 0.00 C ATOM 884 C SER A 62 6.076 -10.418 2.749 1.00 0.00 C ATOM 885 O SER A 62 6.254 -9.437 3.471 1.00 0.00 O ATOM 886 CB SER A 62 4.035 -11.772 3.254 1.00 0.00 C ATOM 887 OG SER A 62 3.368 -11.082 4.297 1.00 0.00 O ATOM 0 H SER A 62 4.846 -12.390 0.921 1.00 0.00 H new ATOM 0 HA SER A 62 4.072 -9.888 2.220 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.328 -12.412 2.727 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.801 -12.423 3.676 1.00 0.00 H new ATOM 0 HG SER A 62 2.965 -11.730 4.912 1.00 0.00 H new ATOM 893 N ILE A 63 7.066 -11.206 2.341 1.00 0.00 N ATOM 894 CA ILE A 63 8.448 -10.956 2.727 1.00 0.00 C ATOM 895 C ILE A 63 8.742 -9.461 2.783 1.00 0.00 C ATOM 896 O ILE A 63 8.894 -8.808 1.750 1.00 0.00 O ATOM 897 CB ILE A 63 9.436 -11.626 1.752 1.00 0.00 C ATOM 898 CG1 ILE A 63 9.266 -13.146 1.786 1.00 0.00 C ATOM 899 CG2 ILE A 63 10.865 -11.239 2.097 1.00 0.00 C ATOM 900 CD1 ILE A 63 9.949 -13.856 0.638 1.00 0.00 C ATOM 0 H ILE A 63 6.936 -12.022 1.743 1.00 0.00 H new ATOM 0 HA ILE A 63 8.581 -11.387 3.719 1.00 0.00 H new ATOM 0 HB ILE A 63 9.221 -11.277 0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.664 -13.527 2.727 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.203 -13.385 1.769 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.551 -11.720 1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.976 -10.157 2.027 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.094 -11.562 3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.787 -14.930 0.726 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.535 -13.503 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 63 11.018 -13.647 0.666 1.00 0.00 H new ATOM 912 N VAL A 64 8.825 -8.924 3.996 1.00 0.00 N ATOM 913 CA VAL A 64 9.103 -7.506 4.188 1.00 0.00 C ATOM 914 C VAL A 64 10.469 -7.133 3.620 1.00 0.00 C ATOM 915 O VAL A 64 11.470 -7.787 3.905 1.00 0.00 O ATOM 916 CB VAL A 64 9.056 -7.121 5.678 1.00 0.00 C ATOM 917 CG1 VAL A 64 9.740 -8.182 6.526 1.00 0.00 C ATOM 918 CG2 VAL A 64 9.698 -5.758 5.896 1.00 0.00 C ATOM 0 H VAL A 64 8.704 -9.450 4.861 1.00 0.00 H new ATOM 0 HA VAL A 64 8.328 -6.956 3.655 1.00 0.00 H new ATOM 0 HB VAL A 64 8.012 -7.060 5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.697 -7.892 7.576 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.233 -9.138 6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.781 -8.278 6.219 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.656 -5.501 6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.738 -5.789 5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.160 -5.006 5.319 1.00 0.00 H new ATOM 928 N GLY A 65 10.500 -6.075 2.815 1.00 0.00 N ATOM 929 CA GLY A 65 11.747 -5.633 2.220 1.00 0.00 C ATOM 930 C GLY A 65 12.920 -5.759 3.172 1.00 0.00 C ATOM 931 O GLY A 65 12.776 -5.551 4.377 1.00 0.00 O ATOM 0 H GLY A 65 9.684 -5.517 2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.946 -6.220 1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.648 -4.594 1.906 1.00 0.00 H new ATOM 935 N CYS A 66 14.084 -6.103 2.631 1.00 0.00 N ATOM 936 CA CYS A 66 15.288 -6.259 3.439 1.00 0.00 C ATOM 937 C CYS A 66 16.163 -5.012 3.359 1.00 0.00 C ATOM 938 O CYS A 66 17.045 -4.803 4.192 1.00 0.00 O ATOM 939 CB CYS A 66 16.080 -7.483 2.979 1.00 0.00 C ATOM 940 SG CYS A 66 16.708 -7.365 1.273 1.00 0.00 S ATOM 0 H CYS A 66 14.219 -6.279 1.635 1.00 0.00 H new ATOM 0 HA CYS A 66 14.984 -6.400 4.476 1.00 0.00 H new ATOM 0 HB2 CYS A 66 16.922 -7.633 3.655 1.00 0.00 H new ATOM 0 HB3 CYS A 66 15.445 -8.365 3.061 1.00 0.00 H new ATOM 945 N THR A 67 15.913 -4.184 2.349 1.00 0.00 N ATOM 946 CA THR A 67 16.677 -2.958 2.158 1.00 0.00 C ATOM 947 C THR A 67 15.878 -1.737 2.598 1.00 0.00 C ATOM 948 O THR A 67 14.658 -1.803 2.750 1.00 0.00 O ATOM 949 CB THR A 67 17.096 -2.781 0.686 1.00 0.00 C ATOM 950 OG1 THR A 67 17.870 -3.907 0.258 1.00 0.00 O ATOM 951 CG2 THR A 67 17.903 -1.505 0.503 1.00 0.00 C ATOM 0 H THR A 67 15.187 -4.341 1.650 1.00 0.00 H new ATOM 0 HA THR A 67 17.571 -3.044 2.775 1.00 0.00 H new ATOM 0 HB THR A 67 16.193 -2.711 0.080 1.00 0.00 H new ATOM 0 HG1 THR A 67 18.822 -3.677 0.280 1.00 0.00 H new ATOM 0 HG21 THR A 67 18.188 -1.402 -0.544 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.300 -0.647 0.802 1.00 0.00 H new ATOM 0 HG23 THR A 67 18.800 -1.550 1.120 1.00 0.00 H new ATOM 959 N LYS A 68 16.573 -0.623 2.800 1.00 0.00 N ATOM 960 CA LYS A 68 15.927 0.615 3.221 1.00 0.00 C ATOM 961 C LYS A 68 16.284 1.761 2.279 1.00 0.00 C ATOM 962 O LYS A 68 17.417 1.868 1.816 1.00 0.00 O ATOM 963 CB LYS A 68 16.341 0.970 4.651 1.00 0.00 C ATOM 964 CG LYS A 68 15.516 0.268 5.715 1.00 0.00 C ATOM 965 CD LYS A 68 14.271 1.064 6.069 1.00 0.00 C ATOM 966 CE LYS A 68 13.495 0.410 7.202 1.00 0.00 C ATOM 967 NZ LYS A 68 12.566 1.368 7.864 1.00 0.00 N ATOM 0 H LYS A 68 17.583 -0.552 2.679 1.00 0.00 H new ATOM 0 HA LYS A 68 14.848 0.462 3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.391 0.714 4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.254 2.048 4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.228 -0.721 5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 68 16.122 0.122 6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.555 2.076 6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.631 1.151 5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.928 -0.436 6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.193 0.013 7.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.630 1.257 8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.827 2.341 7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.592 1.176 7.555 1.00 0.00 H new ATOM 981 N GLY A 69 15.304 2.618 2.000 1.00 0.00 N ATOM 982 CA GLY A 69 15.535 3.745 1.116 1.00 0.00 C ATOM 983 C GLY A 69 14.307 4.621 0.961 1.00 0.00 C ATOM 984 O GLY A 69 13.456 4.670 1.848 1.00 0.00 O ATOM 0 H GLY A 69 14.356 2.551 2.371 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.359 4.344 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.842 3.378 0.137 1.00 0.00 H new ATOM 988 N ARG A 70 14.216 5.315 -0.169 1.00 0.00 N ATOM 989 CA ARG A 70 13.087 6.196 -0.435 1.00 0.00 C ATOM 990 C ARG A 70 12.118 5.553 -1.424 1.00 0.00 C ATOM 991 O ARG A 70 12.525 5.049 -2.471 1.00 0.00 O ATOM 992 CB ARG A 70 13.576 7.537 -0.984 1.00 0.00 C ATOM 993 CG ARG A 70 14.858 8.030 -0.333 1.00 0.00 C ATOM 994 CD ARG A 70 15.330 9.336 -0.953 1.00 0.00 C ATOM 995 NE ARG A 70 16.122 10.131 -0.018 1.00 0.00 N ATOM 996 CZ ARG A 70 16.511 11.378 -0.260 1.00 0.00 C ATOM 997 NH1 ARG A 70 16.182 11.969 -1.400 1.00 0.00 N ATOM 998 NH2 ARG A 70 17.230 12.036 0.641 1.00 0.00 N ATOM 0 H ARG A 70 14.911 5.284 -0.915 1.00 0.00 H new ATOM 0 HA ARG A 70 12.562 6.366 0.505 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.736 7.444 -2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.796 8.285 -0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.694 8.171 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 70 15.636 7.274 -0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.925 9.122 -1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.466 9.915 -1.280 1.00 0.00 H new ATOM 0 HE ARG A 70 16.391 9.706 0.869 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.629 11.466 -2.094 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.482 12.927 -1.583 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.484 11.584 1.519 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.529 12.993 0.455 1.00 0.00 H new ATOM 1012 N HIS A 71 10.833 5.573 -1.083 1.00 0.00 N ATOM 1013 CA HIS A 71 9.806 4.992 -1.941 1.00 0.00 C ATOM 1014 C HIS A 71 9.924 5.522 -3.366 1.00 0.00 C ATOM 1015 O HIS A 71 10.105 6.720 -3.580 1.00 0.00 O ATOM 1016 CB HIS A 71 8.415 5.298 -1.385 1.00 0.00 C ATOM 1017 CG HIS A 71 8.203 4.796 0.011 1.00 0.00 C ATOM 1018 ND1 HIS A 71 7.559 3.610 0.295 1.00 0.00 N ATOM 1019 CD2 HIS A 71 8.557 5.326 1.205 1.00 0.00 C ATOM 1020 CE1 HIS A 71 7.525 3.434 1.604 1.00 0.00 C ATOM 1021 NE2 HIS A 71 8.125 4.461 2.179 1.00 0.00 N ATOM 0 H HIS A 71 10.479 5.985 -0.220 1.00 0.00 H new ATOM 0 HA HIS A 71 9.953 3.912 -1.961 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.255 6.376 -1.403 1.00 0.00 H new ATOM 0 HB3 HIS A 71 7.665 4.854 -2.040 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.082 6.257 1.362 1.00 0.00 H new ATOM 0 HE1 HIS A 71 7.082 2.593 2.117 1.00 0.00 H new ATOM 0 HE2 HIS A 71 8.247 4.590 3.183 1.00 0.00 H new ATOM 1029 N ASN A 72 9.821 4.621 -4.338 1.00 0.00 N ATOM 1030 CA ASN A 72 9.918 4.999 -5.744 1.00 0.00 C ATOM 1031 C ASN A 72 8.540 5.304 -6.321 1.00 0.00 C ATOM 1032 O ASN A 72 7.768 4.394 -6.627 1.00 0.00 O ATOM 1033 CB ASN A 72 10.585 3.881 -6.548 1.00 0.00 C ATOM 1034 CG ASN A 72 12.060 3.738 -6.226 1.00 0.00 C ATOM 1035 OD1 ASN A 72 12.552 4.301 -5.248 1.00 0.00 O ATOM 1036 ND2 ASN A 72 12.774 2.981 -7.051 1.00 0.00 N ATOM 0 H ASN A 72 9.671 3.625 -4.178 1.00 0.00 H new ATOM 0 HA ASN A 72 10.528 5.900 -5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.078 2.938 -6.343 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.466 4.082 -7.613 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.772 2.847 -6.886 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.325 2.533 -7.850 1.00 0.00 H new ATOM 1043 N SER A 73 8.238 6.590 -6.469 1.00 0.00 N ATOM 1044 CA SER A 73 6.950 7.015 -7.007 1.00 0.00 C ATOM 1045 C SER A 73 6.858 6.710 -8.499 1.00 0.00 C ATOM 1046 O SER A 73 5.827 6.945 -9.128 1.00 0.00 O ATOM 1047 CB SER A 73 6.743 8.512 -6.768 1.00 0.00 C ATOM 1048 OG SER A 73 5.634 8.997 -7.502 1.00 0.00 O ATOM 0 H SER A 73 8.867 7.355 -6.224 1.00 0.00 H new ATOM 0 HA SER A 73 6.167 6.460 -6.491 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.588 8.696 -5.705 1.00 0.00 H new ATOM 0 HB3 SER A 73 7.641 9.057 -7.058 1.00 0.00 H new ATOM 0 HG SER A 73 5.343 8.316 -8.144 1.00 0.00 H new ATOM 1054 N GLU A 74 7.944 6.185 -9.058 1.00 0.00 N ATOM 1055 CA GLU A 74 7.986 5.848 -10.476 1.00 0.00 C ATOM 1056 C GLU A 74 8.370 4.385 -10.677 1.00 0.00 C ATOM 1057 O GLU A 74 9.068 3.796 -9.852 1.00 0.00 O ATOM 1058 CB GLU A 74 8.979 6.753 -11.209 1.00 0.00 C ATOM 1059 CG GLU A 74 8.920 8.205 -10.766 1.00 0.00 C ATOM 1060 CD GLU A 74 9.479 8.413 -9.372 1.00 0.00 C ATOM 1061 OE1 GLU A 74 10.276 7.565 -8.919 1.00 0.00 O ATOM 1062 OE2 GLU A 74 9.120 9.424 -8.734 1.00 0.00 O ATOM 0 H GLU A 74 8.806 5.984 -8.551 1.00 0.00 H new ATOM 0 HA GLU A 74 6.990 6.004 -10.890 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.989 6.374 -11.050 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.784 6.700 -12.280 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.478 8.819 -11.473 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.886 8.548 -10.793 1.00 0.00 H new ATOM 1069 N LYS A 75 7.908 3.804 -11.779 1.00 0.00 N ATOM 1070 CA LYS A 75 8.203 2.411 -12.091 1.00 0.00 C ATOM 1071 C LYS A 75 9.695 2.212 -12.339 1.00 0.00 C ATOM 1072 O LYS A 75 10.296 1.335 -11.720 1.00 0.00 O ATOM 1073 CB LYS A 75 7.408 1.962 -13.318 1.00 0.00 C ATOM 1074 CG LYS A 75 5.981 1.546 -13.000 1.00 0.00 C ATOM 1075 CD LYS A 75 5.073 1.702 -14.208 1.00 0.00 C ATOM 1076 CE LYS A 75 4.450 3.088 -14.261 1.00 0.00 C ATOM 1077 NZ LYS A 75 3.378 3.254 -13.239 1.00 0.00 N ATOM 0 H LYS A 75 7.327 4.277 -12.471 1.00 0.00 H new ATOM 0 HA LYS A 75 7.911 1.804 -11.234 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.387 2.774 -14.044 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.925 1.126 -13.789 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.969 0.508 -12.666 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.600 2.150 -12.177 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.644 1.523 -15.119 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.286 0.949 -14.172 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.223 3.840 -14.102 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.035 3.262 -15.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.144 4.263 -13.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.531 2.729 -13.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.710 2.887 -12.324 1.00 0.00 H new TER 1091 LYS A 75 HETATM 1092 ZN ZN A 201 8.231 2.010 -0.494 1.00 0.00 ZN HETATM 1093 ZN ZN A 401 15.153 -8.703 0.109 1.00 0.00 ZN