USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 580 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 Single : A 1 MET CE :methyl 140:sc= -0.149 (180deg=-1.09) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0189 (180deg=-0.35) USER MOD Single : A 2 LYS NZ :NH3+ -144:sc= 0.0309 (180deg=-0.402) USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= -1.07 (180deg=-1.61) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 154:sc= -0.06 (180deg=-0.409) USER MOD Single : A 13 LYS NZ :NH3+ 162:sc=-0.00564 (180deg=-0.361) USER MOD Single : A 14 TYR OH : rot 180:sc= -1.44 USER MOD Single : A 18 GLN : amide:sc= -1.27 X(o=-1.3,f=-0.93) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -1.33! C(o=-1.3!,f=-5.3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.12 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.46 K(o=-0.46,f=-1.2) USER MOD Single : A 52 THR OG1 : rot 3:sc= -1.21 USER MOD Single : A 54 THR OG1 : rot 110:sc= -0.371 USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= -0.307 (180deg=-1.42!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -36:sc= 0.511 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 70 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-2.9) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.815 K(o=-0.82,f=-0.062) USER MOD Single : A 73 HIS : no HD1:sc= -3.48! C(o=-3.5!,f=-5.9!) USER MOD Single : A 74 HIS : no HD1:sc= -1.55 X(o=-1.6,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.790 -2.375 0.242 1.00 0.00 N ATOM 2 CA MET A 1 12.286 -1.288 1.132 1.00 0.00 C ATOM 3 C MET A 1 11.296 -0.123 1.100 1.00 0.00 C ATOM 4 O MET A 1 10.562 0.110 2.037 1.00 0.00 O ATOM 5 CB MET A 1 13.653 -0.808 0.634 1.00 0.00 C ATOM 6 CG MET A 1 14.698 -1.896 0.891 1.00 0.00 C ATOM 7 SD MET A 1 16.296 -1.378 0.214 1.00 0.00 S ATOM 8 CE MET A 1 16.594 0.011 1.335 1.00 0.00 C ATOM 0 H1 MET A 1 12.258 -3.269 0.493 1.00 0.00 H new ATOM 0 H2 MET A 1 10.762 -2.477 0.359 1.00 0.00 H new ATOM 0 H3 MET A 1 12.004 -2.138 -0.748 1.00 0.00 H new ATOM 0 HA MET A 1 12.381 -1.661 2.152 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.605 -0.579 -0.431 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.936 0.112 1.145 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.788 -2.082 1.961 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.383 -2.832 0.430 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.646 0.031 1.618 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.335 0.944 0.835 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.980 -0.104 2.228 1.00 0.00 H new ATOM 20 N LYS A 2 11.275 0.606 0.017 1.00 0.00 N ATOM 21 CA LYS A 2 10.341 1.768 -0.115 1.00 0.00 C ATOM 22 C LYS A 2 9.814 1.846 -1.544 1.00 0.00 C ATOM 23 O LYS A 2 10.419 1.354 -2.473 1.00 0.00 O ATOM 24 CB LYS A 2 11.079 3.065 0.225 1.00 0.00 C ATOM 25 CG LYS A 2 12.220 3.299 -0.775 1.00 0.00 C ATOM 26 CD LYS A 2 13.016 4.540 -0.361 1.00 0.00 C ATOM 27 CE LYS A 2 14.058 4.858 -1.437 1.00 0.00 C ATOM 28 NZ LYS A 2 15.010 3.717 -1.564 1.00 0.00 N ATOM 0 H LYS A 2 11.872 0.446 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 2 9.506 1.634 0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.385 3.905 0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 2 11.478 3.011 1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.875 2.428 -0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.817 3.431 -1.779 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.345 5.388 -0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.507 4.368 0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.565 5.042 -2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.598 5.768 -1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 15.964 4.081 -1.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 15.023 3.175 -0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 14.708 3.098 -2.343 1.00 0.00 H new ATOM 42 N GLY A 3 8.681 2.464 -1.717 1.00 0.00 N ATOM 43 CA GLY A 3 8.094 2.582 -3.081 1.00 0.00 C ATOM 44 C GLY A 3 7.031 3.678 -3.117 1.00 0.00 C ATOM 45 O GLY A 3 6.910 4.485 -2.217 1.00 0.00 O ATOM 0 H GLY A 3 8.134 2.894 -0.971 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.880 2.806 -3.802 1.00 0.00 H new ATOM 0 HA3 GLY A 3 7.653 1.630 -3.376 1.00 0.00 H new ATOM 49 N LYS A 4 6.265 3.703 -4.176 1.00 0.00 N ATOM 50 CA LYS A 4 5.193 4.734 -4.337 1.00 0.00 C ATOM 51 C LYS A 4 3.885 4.067 -4.755 1.00 0.00 C ATOM 52 O LYS A 4 3.857 3.184 -5.587 1.00 0.00 O ATOM 53 CB LYS A 4 5.615 5.741 -5.406 1.00 0.00 C ATOM 54 CG LYS A 4 4.651 6.928 -5.381 1.00 0.00 C ATOM 55 CD LYS A 4 5.102 7.986 -6.388 1.00 0.00 C ATOM 56 CE LYS A 4 4.139 9.175 -6.342 1.00 0.00 C ATOM 57 NZ LYS A 4 4.440 10.009 -5.144 1.00 0.00 N ATOM 0 H LYS A 4 6.337 3.042 -4.950 1.00 0.00 H new ATOM 0 HA LYS A 4 5.044 5.247 -3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.634 6.080 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.608 5.271 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.642 6.593 -5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.616 7.358 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.115 8.315 -6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.126 7.562 -7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.237 9.772 -7.249 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.109 8.821 -6.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.648 10.659 -4.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.575 9.393 -4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.307 10.558 -5.312 1.00 0.00 H new ATOM 71 N VAL A 5 2.804 4.495 -4.164 1.00 0.00 N ATOM 72 CA VAL A 5 1.471 3.907 -4.486 1.00 0.00 C ATOM 73 C VAL A 5 0.972 4.441 -5.826 1.00 0.00 C ATOM 74 O VAL A 5 0.834 5.629 -6.026 1.00 0.00 O ATOM 75 CB VAL A 5 0.479 4.264 -3.374 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.159 5.764 -3.412 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.810 3.460 -3.568 1.00 0.00 C ATOM 0 H VAL A 5 2.786 5.236 -3.463 1.00 0.00 H new ATOM 0 HA VAL A 5 1.561 2.823 -4.557 1.00 0.00 H new ATOM 0 HB VAL A 5 0.923 4.022 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.547 6.006 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.076 6.335 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.280 6.018 -4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.518 3.712 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.247 3.701 -4.537 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.584 2.395 -3.527 1.00 0.00 H new ATOM 87 N VAL A 6 0.710 3.555 -6.743 1.00 0.00 N ATOM 88 CA VAL A 6 0.217 3.968 -8.089 1.00 0.00 C ATOM 89 C VAL A 6 -1.311 3.939 -8.100 1.00 0.00 C ATOM 90 O VAL A 6 -1.949 4.750 -8.738 1.00 0.00 O ATOM 91 CB VAL A 6 0.757 2.996 -9.144 1.00 0.00 C ATOM 92 CG1 VAL A 6 0.301 1.565 -8.832 1.00 0.00 C ATOM 93 CG2 VAL A 6 0.231 3.407 -10.521 1.00 0.00 C ATOM 0 H VAL A 6 0.817 2.548 -6.618 1.00 0.00 H new ATOM 0 HA VAL A 6 0.561 4.978 -8.314 1.00 0.00 H new ATOM 0 HB VAL A 6 1.846 3.029 -9.135 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.692 0.885 -9.589 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.675 1.270 -7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.788 1.522 -8.833 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.612 2.719 -11.276 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.859 3.376 -10.518 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.565 4.419 -10.751 1.00 0.00 H new ATOM 103 N SER A 7 -1.901 3.010 -7.395 1.00 0.00 N ATOM 104 CA SER A 7 -3.392 2.929 -7.359 1.00 0.00 C ATOM 105 C SER A 7 -3.852 2.214 -6.090 1.00 0.00 C ATOM 106 O SER A 7 -3.109 1.498 -5.452 1.00 0.00 O ATOM 107 CB SER A 7 -3.893 2.157 -8.580 1.00 0.00 C ATOM 108 OG SER A 7 -3.827 0.759 -8.318 1.00 0.00 O ATOM 0 H SER A 7 -1.415 2.304 -6.842 1.00 0.00 H new ATOM 0 HA SER A 7 -3.799 3.940 -7.368 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.918 2.446 -8.811 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.288 2.403 -9.453 1.00 0.00 H new ATOM 0 HG SER A 7 -4.149 0.264 -9.100 1.00 0.00 H new ATOM 114 N TYR A 8 -5.089 2.411 -5.734 1.00 0.00 N ATOM 115 CA TYR A 8 -5.643 1.760 -4.517 1.00 0.00 C ATOM 116 C TYR A 8 -7.171 1.808 -4.566 1.00 0.00 C ATOM 117 O TYR A 8 -7.793 2.764 -4.150 1.00 0.00 O ATOM 118 CB TYR A 8 -5.124 2.481 -3.274 1.00 0.00 C ATOM 119 CG TYR A 8 -5.836 1.955 -2.049 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.602 0.645 -1.616 1.00 0.00 C ATOM 121 CD2 TYR A 8 -6.732 2.774 -1.349 1.00 0.00 C ATOM 122 CE1 TYR A 8 -6.262 0.153 -0.485 1.00 0.00 C ATOM 123 CE2 TYR A 8 -7.392 2.283 -0.219 1.00 0.00 C ATOM 124 CZ TYR A 8 -7.157 0.972 0.214 1.00 0.00 C ATOM 125 OH TYR A 8 -7.805 0.489 1.330 1.00 0.00 O ATOM 0 H TYR A 8 -5.747 3.003 -6.241 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.325 0.718 -4.476 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.049 2.329 -3.175 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.287 3.555 -3.369 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.911 0.014 -2.155 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.913 3.785 -1.683 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.081 -0.858 -0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -8.083 2.914 0.320 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.389 1.185 1.696 1.00 0.00 H new ATOM 135 N LEU A 9 -7.771 0.763 -5.070 1.00 0.00 N ATOM 136 CA LEU A 9 -9.265 0.696 -5.158 1.00 0.00 C ATOM 137 C LEU A 9 -9.786 -0.190 -4.028 1.00 0.00 C ATOM 138 O LEU A 9 -9.547 -1.379 -3.983 1.00 0.00 O ATOM 139 CB LEU A 9 -9.676 0.101 -6.515 1.00 0.00 C ATOM 140 CG LEU A 9 -9.597 1.182 -7.600 1.00 0.00 C ATOM 141 CD1 LEU A 9 -8.140 1.620 -7.796 1.00 0.00 C ATOM 142 CD2 LEU A 9 -10.143 0.623 -8.916 1.00 0.00 C ATOM 0 H LEU A 9 -7.286 -0.059 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.687 1.697 -5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.022 -0.732 -6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.690 -0.296 -6.457 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.191 2.043 -7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.092 2.388 -8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.752 2.022 -6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.540 0.762 -8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.087 1.390 -9.688 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.550 -0.240 -9.219 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.181 0.320 -8.780 1.00 0.00 H new ATOM 154 N ALA A 10 -10.494 0.406 -3.116 1.00 0.00 N ATOM 155 CA ALA A 10 -11.056 -0.349 -1.959 1.00 0.00 C ATOM 156 C ALA A 10 -12.284 -1.141 -2.413 1.00 0.00 C ATOM 157 O ALA A 10 -12.768 -2.005 -1.712 1.00 0.00 O ATOM 158 CB ALA A 10 -11.460 0.644 -0.864 1.00 0.00 C ATOM 0 H ALA A 10 -10.713 1.402 -3.120 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.308 -1.040 -1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.872 0.100 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.584 1.209 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.211 1.330 -1.254 1.00 0.00 H new ATOM 164 N ALA A 11 -12.797 -0.833 -3.573 1.00 0.00 N ATOM 165 CA ALA A 11 -14.008 -1.542 -4.087 1.00 0.00 C ATOM 166 C ALA A 11 -13.867 -3.046 -3.852 1.00 0.00 C ATOM 167 O ALA A 11 -14.602 -3.630 -3.085 1.00 0.00 O ATOM 168 CB ALA A 11 -14.143 -1.280 -5.593 1.00 0.00 C ATOM 0 H ALA A 11 -12.426 -0.114 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.891 -1.175 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.025 -1.795 -5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.244 -0.209 -5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.256 -1.650 -6.108 1.00 0.00 H new ATOM 174 N LYS A 12 -12.925 -3.670 -4.508 1.00 0.00 N ATOM 175 CA LYS A 12 -12.720 -5.141 -4.336 1.00 0.00 C ATOM 176 C LYS A 12 -11.632 -5.374 -3.284 1.00 0.00 C ATOM 177 O LYS A 12 -11.068 -6.445 -3.187 1.00 0.00 O ATOM 178 CB LYS A 12 -12.292 -5.763 -5.677 1.00 0.00 C ATOM 179 CG LYS A 12 -12.626 -7.268 -5.670 1.00 0.00 C ATOM 180 CD LYS A 12 -14.087 -7.478 -6.112 1.00 0.00 C ATOM 181 CE LYS A 12 -14.149 -7.607 -7.636 1.00 0.00 C ATOM 182 NZ LYS A 12 -13.583 -8.924 -8.043 1.00 0.00 N ATOM 0 H LYS A 12 -12.283 -3.221 -5.161 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.649 -5.608 -4.009 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.806 -5.268 -6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.223 -5.617 -5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.953 -7.803 -6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.475 -7.679 -4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.494 -8.375 -5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.701 -6.640 -5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.180 -7.520 -7.978 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.589 -6.797 -8.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.997 -9.214 -8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.551 -8.843 -8.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.806 -9.636 -7.319 1.00 0.00 H new ATOM 196 N LYS A 13 -11.345 -4.368 -2.509 1.00 0.00 N ATOM 197 CA LYS A 13 -10.302 -4.479 -1.449 1.00 0.00 C ATOM 198 C LYS A 13 -8.976 -4.901 -2.072 1.00 0.00 C ATOM 199 O LYS A 13 -8.394 -5.904 -1.714 1.00 0.00 O ATOM 200 CB LYS A 13 -10.747 -5.485 -0.388 1.00 0.00 C ATOM 201 CG LYS A 13 -11.940 -4.910 0.380 1.00 0.00 C ATOM 202 CD LYS A 13 -12.392 -5.908 1.446 1.00 0.00 C ATOM 203 CE LYS A 13 -13.548 -5.311 2.250 1.00 0.00 C ATOM 204 NZ LYS A 13 -14.734 -5.138 1.364 1.00 0.00 N ATOM 0 H LYS A 13 -11.797 -3.455 -2.565 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.166 -3.509 -0.970 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.022 -6.429 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.926 -5.697 0.297 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.664 -3.964 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.760 -4.699 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.706 -6.840 0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.561 -6.149 2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.798 -5.964 3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.253 -4.350 2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.589 -5.029 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.606 -4.291 0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.836 -5.973 0.753 1.00 0.00 H new ATOM 218 N TYR A 14 -8.498 -4.125 -3.007 1.00 0.00 N ATOM 219 CA TYR A 14 -7.208 -4.448 -3.677 1.00 0.00 C ATOM 220 C TYR A 14 -6.531 -3.163 -4.166 1.00 0.00 C ATOM 221 O TYR A 14 -7.130 -2.107 -4.231 1.00 0.00 O ATOM 222 CB TYR A 14 -7.473 -5.376 -4.869 1.00 0.00 C ATOM 223 CG TYR A 14 -8.044 -4.587 -6.035 1.00 0.00 C ATOM 224 CD1 TYR A 14 -9.276 -3.932 -5.905 1.00 0.00 C ATOM 225 CD2 TYR A 14 -7.335 -4.507 -7.241 1.00 0.00 C ATOM 226 CE1 TYR A 14 -9.797 -3.200 -6.979 1.00 0.00 C ATOM 227 CE2 TYR A 14 -7.857 -3.776 -8.314 1.00 0.00 C ATOM 228 CZ TYR A 14 -9.088 -3.122 -8.182 1.00 0.00 C ATOM 229 OH TYR A 14 -9.600 -2.399 -9.238 1.00 0.00 O ATOM 0 H TYR A 14 -8.951 -3.273 -3.337 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.549 -4.945 -2.964 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.547 -5.865 -5.171 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.169 -6.163 -4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.824 -3.992 -4.976 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.385 -5.010 -7.342 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.747 -2.696 -6.878 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.311 -3.716 -9.244 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.982 -2.447 -9.997 1.00 0.00 H new ATOM 239 N GLY A 15 -5.281 -3.267 -4.515 1.00 0.00 N ATOM 240 CA GLY A 15 -4.529 -2.080 -5.009 1.00 0.00 C ATOM 241 C GLY A 15 -3.153 -2.505 -5.510 1.00 0.00 C ATOM 242 O GLY A 15 -2.746 -3.643 -5.382 1.00 0.00 O ATOM 0 H GLY A 15 -4.742 -4.132 -4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.084 -1.596 -5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.423 -1.347 -4.209 1.00 0.00 H new ATOM 246 N PHE A 16 -2.435 -1.580 -6.081 1.00 0.00 N ATOM 247 CA PHE A 16 -1.071 -1.877 -6.608 1.00 0.00 C ATOM 248 C PHE A 16 -0.107 -0.784 -6.159 1.00 0.00 C ATOM 249 O PHE A 16 -0.482 0.355 -5.958 1.00 0.00 O ATOM 250 CB PHE A 16 -1.110 -1.927 -8.136 1.00 0.00 C ATOM 251 CG PHE A 16 -2.018 -3.049 -8.587 1.00 0.00 C ATOM 252 CD1 PHE A 16 -1.610 -4.381 -8.436 1.00 0.00 C ATOM 253 CD2 PHE A 16 -3.264 -2.761 -9.161 1.00 0.00 C ATOM 254 CE1 PHE A 16 -2.446 -5.421 -8.857 1.00 0.00 C ATOM 255 CE2 PHE A 16 -4.099 -3.803 -9.583 1.00 0.00 C ATOM 256 CZ PHE A 16 -3.691 -5.133 -9.431 1.00 0.00 C ATOM 0 H PHE A 16 -2.739 -0.615 -6.208 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.735 -2.841 -6.224 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.467 -0.976 -8.531 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.105 -2.079 -8.530 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.650 -4.605 -7.995 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.580 -1.735 -9.278 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.131 -6.447 -8.739 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.058 -3.580 -10.026 1.00 0.00 H new ATOM 0 HZ PHE A 16 -4.335 -5.937 -9.756 1.00 0.00 H new ATOM 266 N ILE A 17 1.138 -1.139 -6.002 1.00 0.00 N ATOM 267 CA ILE A 17 2.175 -0.156 -5.560 1.00 0.00 C ATOM 268 C ILE A 17 3.401 -0.256 -6.462 1.00 0.00 C ATOM 269 O ILE A 17 3.891 -1.326 -6.759 1.00 0.00 O ATOM 270 CB ILE A 17 2.568 -0.447 -4.111 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.360 -0.188 -3.199 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.729 0.464 -3.706 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.647 -0.711 -1.786 1.00 0.00 C ATOM 0 H ILE A 17 1.489 -2.083 -6.163 1.00 0.00 H new ATOM 0 HA ILE A 17 1.769 0.853 -5.627 1.00 0.00 H new ATOM 0 HB ILE A 17 2.879 -1.487 -4.014 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.143 0.880 -3.163 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.476 -0.679 -3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.010 0.258 -2.673 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.582 0.278 -4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.423 1.506 -3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.785 -0.523 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.841 -1.783 -1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.519 -0.200 -1.379 1.00 0.00 H new ATOM 285 N GLN A 18 3.889 0.872 -6.905 1.00 0.00 N ATOM 286 CA GLN A 18 5.081 0.896 -7.806 1.00 0.00 C ATOM 287 C GLN A 18 6.357 1.045 -6.976 1.00 0.00 C ATOM 288 O GLN A 18 6.587 2.047 -6.328 1.00 0.00 O ATOM 289 CB GLN A 18 4.957 2.077 -8.776 1.00 0.00 C ATOM 290 CG GLN A 18 6.074 1.996 -9.822 1.00 0.00 C ATOM 291 CD GLN A 18 5.849 0.783 -10.729 1.00 0.00 C ATOM 292 OE1 GLN A 18 4.731 0.484 -11.096 1.00 0.00 O ATOM 293 NE2 GLN A 18 6.874 0.071 -11.108 1.00 0.00 N ATOM 0 H GLN A 18 3.508 1.791 -6.678 1.00 0.00 H new ATOM 0 HA GLN A 18 5.129 -0.037 -8.368 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.983 2.059 -9.266 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.022 3.018 -8.230 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.093 2.908 -10.418 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.042 1.917 -9.328 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.813 0.323 -10.799 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.737 -0.738 -11.714 1.00 0.00 H new ATOM 302 N GLY A 19 7.181 0.037 -7.009 1.00 0.00 N ATOM 303 CA GLY A 19 8.462 0.056 -6.245 1.00 0.00 C ATOM 304 C GLY A 19 9.482 0.948 -6.945 1.00 0.00 C ATOM 305 O GLY A 19 9.388 1.220 -8.123 1.00 0.00 O ATOM 0 H GLY A 19 7.019 -0.817 -7.543 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.284 0.420 -5.233 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.855 -0.957 -6.155 1.00 0.00 H new ATOM 309 N ASP A 20 10.453 1.405 -6.208 1.00 0.00 N ATOM 310 CA ASP A 20 11.501 2.294 -6.787 1.00 0.00 C ATOM 311 C ASP A 20 12.347 1.520 -7.799 1.00 0.00 C ATOM 312 O ASP A 20 12.960 2.100 -8.669 1.00 0.00 O ATOM 313 CB ASP A 20 12.405 2.811 -5.661 1.00 0.00 C ATOM 314 CG ASP A 20 13.046 1.635 -4.916 1.00 0.00 C ATOM 315 OD1 ASP A 20 12.667 0.506 -5.181 1.00 0.00 O ATOM 316 OD2 ASP A 20 13.904 1.887 -4.083 1.00 0.00 O ATOM 0 H ASP A 20 10.568 1.199 -5.216 1.00 0.00 H new ATOM 0 HA ASP A 20 11.019 3.132 -7.291 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.181 3.456 -6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.823 3.417 -4.967 1.00 0.00 H new ATOM 321 N ASP A 21 12.396 0.220 -7.683 1.00 0.00 N ATOM 322 CA ASP A 21 13.217 -0.597 -8.631 1.00 0.00 C ATOM 323 C ASP A 21 12.355 -0.993 -9.833 1.00 0.00 C ATOM 324 O ASP A 21 12.782 -1.732 -10.696 1.00 0.00 O ATOM 325 CB ASP A 21 13.723 -1.857 -7.919 1.00 0.00 C ATOM 326 CG ASP A 21 14.648 -1.461 -6.764 1.00 0.00 C ATOM 327 OD1 ASP A 21 15.189 -0.367 -6.809 1.00 0.00 O ATOM 328 OD2 ASP A 21 14.800 -2.260 -5.856 1.00 0.00 O ATOM 0 H ASP A 21 11.901 -0.316 -6.970 1.00 0.00 H new ATOM 0 HA ASP A 21 14.071 -0.013 -8.973 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.880 -2.436 -7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.257 -2.495 -8.623 1.00 0.00 H new ATOM 333 N GLY A 22 11.149 -0.495 -9.895 1.00 0.00 N ATOM 334 CA GLY A 22 10.246 -0.819 -11.042 1.00 0.00 C ATOM 335 C GLY A 22 9.512 -2.127 -10.754 1.00 0.00 C ATOM 336 O GLY A 22 8.948 -2.737 -11.638 1.00 0.00 O ATOM 0 H GLY A 22 10.746 0.128 -9.195 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.529 -0.012 -11.194 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.825 -0.908 -11.961 1.00 0.00 H new ATOM 340 N GLU A 23 9.522 -2.558 -9.520 1.00 0.00 N ATOM 341 CA GLU A 23 8.832 -3.835 -9.147 1.00 0.00 C ATOM 342 C GLU A 23 7.472 -3.529 -8.526 1.00 0.00 C ATOM 343 O GLU A 23 7.363 -2.858 -7.520 1.00 0.00 O ATOM 344 CB GLU A 23 9.690 -4.601 -8.133 1.00 0.00 C ATOM 345 CG GLU A 23 11.018 -5.006 -8.781 1.00 0.00 C ATOM 346 CD GLU A 23 10.754 -5.988 -9.927 1.00 0.00 C ATOM 347 OE1 GLU A 23 9.685 -6.578 -9.941 1.00 0.00 O ATOM 348 OE2 GLU A 23 11.623 -6.131 -10.769 1.00 0.00 O ATOM 0 H GLU A 23 9.982 -2.078 -8.746 1.00 0.00 H new ATOM 0 HA GLU A 23 8.691 -4.440 -10.043 1.00 0.00 H new ATOM 0 HB2 GLU A 23 9.876 -3.980 -7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.158 -5.487 -7.788 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.534 -4.123 -9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.671 -5.465 -8.039 1.00 0.00 H new ATOM 355 N SER A 24 6.436 -4.027 -9.137 1.00 0.00 N ATOM 356 CA SER A 24 5.060 -3.791 -8.621 1.00 0.00 C ATOM 357 C SER A 24 4.789 -4.714 -7.441 1.00 0.00 C ATOM 358 O SER A 24 5.382 -5.762 -7.305 1.00 0.00 O ATOM 359 CB SER A 24 4.046 -4.061 -9.737 1.00 0.00 C ATOM 360 OG SER A 24 4.017 -5.455 -10.029 1.00 0.00 O ATOM 0 H SER A 24 6.484 -4.595 -9.983 1.00 0.00 H new ATOM 0 HA SER A 24 4.967 -2.756 -8.291 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.056 -3.722 -9.432 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.315 -3.497 -10.631 1.00 0.00 H new ATOM 0 HG SER A 24 3.367 -5.626 -10.742 1.00 0.00 H new ATOM 366 N TYR A 25 3.890 -4.320 -6.585 1.00 0.00 N ATOM 367 CA TYR A 25 3.553 -5.153 -5.390 1.00 0.00 C ATOM 368 C TYR A 25 2.043 -5.164 -5.166 1.00 0.00 C ATOM 369 O TYR A 25 1.376 -4.150 -5.235 1.00 0.00 O ATOM 370 CB TYR A 25 4.255 -4.577 -4.161 1.00 0.00 C ATOM 371 CG TYR A 25 5.747 -4.768 -4.301 1.00 0.00 C ATOM 372 CD1 TYR A 25 6.335 -5.983 -3.928 1.00 0.00 C ATOM 373 CD2 TYR A 25 6.541 -3.730 -4.799 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.719 -6.159 -4.055 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.924 -3.906 -4.928 1.00 0.00 C ATOM 376 CZ TYR A 25 8.514 -5.119 -4.554 1.00 0.00 C ATOM 377 OH TYR A 25 9.877 -5.292 -4.676 1.00 0.00 O ATOM 0 H TYR A 25 3.367 -3.448 -6.660 1.00 0.00 H new ATOM 0 HA TYR A 25 3.889 -6.176 -5.558 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.021 -3.517 -4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.897 -5.072 -3.258 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.722 -6.784 -3.543 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.087 -2.792 -5.084 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.173 -7.096 -3.768 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.536 -3.105 -5.316 1.00 0.00 H new ATOM 0 HH TYR A 25 10.279 -4.475 -5.039 1.00 0.00 H new ATOM 387 N PHE A 26 1.509 -6.322 -4.901 1.00 0.00 N ATOM 388 CA PHE A 26 0.045 -6.457 -4.667 1.00 0.00 C ATOM 389 C PHE A 26 -0.306 -5.936 -3.287 1.00 0.00 C ATOM 390 O PHE A 26 0.431 -6.100 -2.336 1.00 0.00 O ATOM 391 CB PHE A 26 -0.360 -7.928 -4.770 1.00 0.00 C ATOM 392 CG PHE A 26 -1.859 -8.046 -4.600 1.00 0.00 C ATOM 393 CD1 PHE A 26 -2.711 -7.664 -5.643 1.00 0.00 C ATOM 394 CD2 PHE A 26 -2.396 -8.540 -3.405 1.00 0.00 C ATOM 395 CE1 PHE A 26 -4.097 -7.774 -5.491 1.00 0.00 C ATOM 396 CE2 PHE A 26 -3.783 -8.649 -3.252 1.00 0.00 C ATOM 397 CZ PHE A 26 -4.633 -8.267 -4.297 1.00 0.00 C ATOM 0 H PHE A 26 2.033 -7.195 -4.836 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.490 -5.878 -5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.059 -8.333 -5.736 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.152 -8.513 -4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.298 -7.284 -6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.739 -8.837 -2.601 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.754 -7.478 -6.296 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.197 -9.027 -2.329 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.703 -8.353 -4.181 1.00 0.00 H new ATOM 407 N LEU A 27 -1.435 -5.300 -3.181 1.00 0.00 N ATOM 408 CA LEU A 27 -1.877 -4.740 -1.877 1.00 0.00 C ATOM 409 C LEU A 27 -3.031 -5.565 -1.328 1.00 0.00 C ATOM 410 O LEU A 27 -3.988 -5.859 -2.013 1.00 0.00 O ATOM 411 CB LEU A 27 -2.325 -3.291 -2.082 1.00 0.00 C ATOM 412 CG LEU A 27 -2.549 -2.610 -0.706 1.00 0.00 C ATOM 413 CD1 LEU A 27 -2.268 -1.111 -0.823 1.00 0.00 C ATOM 414 CD2 LEU A 27 -3.998 -2.821 -0.229 1.00 0.00 C ATOM 0 H LEU A 27 -2.081 -5.142 -3.955 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.052 -4.770 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.572 -2.745 -2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.245 -3.264 -2.665 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.869 -3.058 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.426 -0.635 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.236 -0.958 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.942 -0.671 -1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.137 -2.337 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.687 -2.388 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.197 -3.888 -0.132 1.00 0.00 H new ATOM 426 N HIS A 28 -2.941 -5.929 -0.076 1.00 0.00 N ATOM 427 CA HIS A 28 -4.021 -6.735 0.572 1.00 0.00 C ATOM 428 C HIS A 28 -4.359 -6.153 1.946 1.00 0.00 C ATOM 429 O HIS A 28 -3.518 -5.630 2.647 1.00 0.00 O ATOM 430 CB HIS A 28 -3.550 -8.176 0.727 1.00 0.00 C ATOM 431 CG HIS A 28 -4.680 -9.002 1.271 1.00 0.00 C ATOM 432 ND1 HIS A 28 -6.004 -8.613 1.141 1.00 0.00 N ATOM 433 CD2 HIS A 28 -4.704 -10.201 1.935 1.00 0.00 C ATOM 434 CE1 HIS A 28 -6.763 -9.566 1.710 1.00 0.00 C ATOM 435 NE2 HIS A 28 -6.020 -10.557 2.211 1.00 0.00 N ATOM 0 H HIS A 28 -2.156 -5.700 0.534 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.914 -6.706 -0.052 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.223 -8.571 -0.235 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -2.692 -8.222 1.398 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.833 -10.781 2.203 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -7.842 -9.534 1.756 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -6.347 -11.395 2.692 1.00 0.00 H new ATOM 443 N PHE A 29 -5.607 -6.243 2.315 1.00 0.00 N ATOM 444 CA PHE A 29 -6.065 -5.706 3.630 1.00 0.00 C ATOM 445 C PHE A 29 -5.350 -6.450 4.754 1.00 0.00 C ATOM 446 O PHE A 29 -4.948 -5.869 5.740 1.00 0.00 O ATOM 447 CB PHE A 29 -7.588 -5.921 3.769 1.00 0.00 C ATOM 448 CG PHE A 29 -8.334 -4.753 3.163 1.00 0.00 C ATOM 449 CD1 PHE A 29 -7.990 -4.287 1.890 1.00 0.00 C ATOM 450 CD2 PHE A 29 -9.366 -4.131 3.880 1.00 0.00 C ATOM 451 CE1 PHE A 29 -8.672 -3.201 1.335 1.00 0.00 C ATOM 452 CE2 PHE A 29 -10.048 -3.046 3.325 1.00 0.00 C ATOM 453 CZ PHE A 29 -9.704 -2.581 2.049 1.00 0.00 C ATOM 0 H PHE A 29 -6.341 -6.673 1.752 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.838 -4.642 3.689 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.880 -6.846 3.272 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.854 -6.026 4.821 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.197 -4.767 1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.634 -4.491 4.862 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.402 -2.839 0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -10.841 -2.565 3.879 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.234 -1.745 1.617 1.00 0.00 H new ATOM 463 N SER A 30 -5.230 -7.738 4.616 1.00 0.00 N ATOM 464 CA SER A 30 -4.576 -8.561 5.671 1.00 0.00 C ATOM 465 C SER A 30 -3.119 -8.131 5.813 1.00 0.00 C ATOM 466 O SER A 30 -2.473 -8.417 6.799 1.00 0.00 O ATOM 467 CB SER A 30 -4.645 -10.040 5.272 1.00 0.00 C ATOM 468 OG SER A 30 -4.337 -10.842 6.404 1.00 0.00 O ATOM 0 H SER A 30 -5.561 -8.264 3.807 1.00 0.00 H new ATOM 0 HA SER A 30 -5.088 -8.420 6.623 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.640 -10.283 4.899 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.943 -10.245 4.464 1.00 0.00 H new ATOM 0 HG SER A 30 -4.381 -11.789 6.156 1.00 0.00 H new ATOM 474 N GLU A 31 -2.596 -7.459 4.825 1.00 0.00 N ATOM 475 CA GLU A 31 -1.170 -7.009 4.878 1.00 0.00 C ATOM 476 C GLU A 31 -1.101 -5.636 5.539 1.00 0.00 C ATOM 477 O GLU A 31 -0.040 -5.072 5.699 1.00 0.00 O ATOM 478 CB GLU A 31 -0.609 -6.939 3.437 1.00 0.00 C ATOM 479 CG GLU A 31 0.148 -8.233 3.108 1.00 0.00 C ATOM 480 CD GLU A 31 -0.822 -9.416 3.072 1.00 0.00 C ATOM 481 OE1 GLU A 31 -1.984 -9.222 3.378 1.00 0.00 O ATOM 482 OE2 GLU A 31 -0.383 -10.500 2.739 1.00 0.00 O ATOM 0 H GLU A 31 -3.097 -7.199 3.975 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.575 -7.713 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.423 -6.793 2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.058 -6.082 3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.650 -8.135 2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.922 -8.410 3.855 1.00 0.00 H new ATOM 489 N LEU A 32 -2.225 -5.103 5.918 1.00 0.00 N ATOM 490 CA LEU A 32 -2.246 -3.764 6.581 1.00 0.00 C ATOM 491 C LEU A 32 -2.125 -3.969 8.087 1.00 0.00 C ATOM 492 O LEU A 32 -2.062 -3.027 8.841 1.00 0.00 O ATOM 493 CB LEU A 32 -3.573 -3.058 6.263 1.00 0.00 C ATOM 494 CG LEU A 32 -3.751 -2.951 4.746 1.00 0.00 C ATOM 495 CD1 LEU A 32 -5.065 -2.226 4.431 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.577 -2.178 4.144 1.00 0.00 C ATOM 0 H LEU A 32 -3.140 -5.538 5.798 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.420 -3.152 6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.404 -3.613 6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.584 -2.064 6.711 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.781 -3.952 4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.189 -2.151 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.900 -2.785 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.041 -1.226 4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.706 -2.103 3.064 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.541 -1.178 4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.646 -2.701 4.363 1.00 0.00 H new ATOM 508 N LEU A 33 -2.093 -5.202 8.506 1.00 0.00 N ATOM 509 CA LEU A 33 -1.981 -5.530 9.966 1.00 0.00 C ATOM 510 C LEU A 33 -3.169 -4.919 10.708 1.00 0.00 C ATOM 511 O LEU A 33 -4.053 -5.616 11.158 1.00 0.00 O ATOM 512 CB LEU A 33 -0.683 -4.949 10.536 1.00 0.00 C ATOM 513 CG LEU A 33 0.504 -5.353 9.654 1.00 0.00 C ATOM 514 CD1 LEU A 33 1.799 -4.806 10.263 1.00 0.00 C ATOM 515 CD2 LEU A 33 0.587 -6.882 9.557 1.00 0.00 C ATOM 0 H LEU A 33 -2.140 -6.015 7.892 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.976 -6.613 10.091 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.754 -3.863 10.589 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.530 -5.309 11.553 1.00 0.00 H new ATOM 0 HG LEU A 33 0.367 -4.940 8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.644 -5.092 9.637 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.743 -3.719 10.322 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.933 -5.217 11.264 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.433 -7.161 8.929 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.720 -7.303 10.553 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.333 -7.269 9.120 1.00 0.00 H new ATOM 527 N ASP A 34 -3.194 -3.620 10.824 1.00 0.00 N ATOM 528 CA ASP A 34 -4.321 -2.923 11.520 1.00 0.00 C ATOM 529 C ASP A 34 -5.149 -2.162 10.482 1.00 0.00 C ATOM 530 O ASP A 34 -4.741 -1.140 9.966 1.00 0.00 O ATOM 531 CB ASP A 34 -3.746 -1.955 12.558 1.00 0.00 C ATOM 532 CG ASP A 34 -4.858 -1.514 13.513 1.00 0.00 C ATOM 533 OD1 ASP A 34 -5.997 -1.876 13.270 1.00 0.00 O ATOM 534 OD2 ASP A 34 -4.550 -0.825 14.471 1.00 0.00 O ATOM 0 H ASP A 34 -2.471 -2.999 10.461 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.961 -3.646 12.027 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.943 -2.437 13.115 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.313 -1.087 12.061 1.00 0.00 H new ATOM 539 N LYS A 35 -6.306 -2.675 10.170 1.00 0.00 N ATOM 540 CA LYS A 35 -7.193 -2.024 9.158 1.00 0.00 C ATOM 541 C LYS A 35 -7.481 -0.583 9.582 1.00 0.00 C ATOM 542 O LYS A 35 -8.002 0.202 8.820 1.00 0.00 O ATOM 543 CB LYS A 35 -8.518 -2.810 9.073 1.00 0.00 C ATOM 544 CG LYS A 35 -8.379 -3.964 8.074 1.00 0.00 C ATOM 545 CD LYS A 35 -9.634 -4.841 8.116 1.00 0.00 C ATOM 546 CE LYS A 35 -10.849 -4.044 7.627 1.00 0.00 C ATOM 547 NZ LYS A 35 -11.934 -4.981 7.227 1.00 0.00 N ATOM 0 H LYS A 35 -6.683 -3.531 10.578 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.702 -2.021 8.185 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.783 -3.199 10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.325 -2.146 8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.233 -3.571 7.068 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.499 -4.561 8.314 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.492 -5.723 7.491 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.806 -5.195 9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.202 -3.379 8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.568 -3.415 6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.757 -4.438 6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.595 -5.598 6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.209 -5.563 8.044 1.00 0.00 H new ATOM 561 N LYS A 36 -7.154 -0.244 10.793 1.00 0.00 N ATOM 562 CA LYS A 36 -7.406 1.140 11.298 1.00 0.00 C ATOM 563 C LYS A 36 -6.581 2.150 10.492 1.00 0.00 C ATOM 564 O LYS A 36 -7.020 3.250 10.233 1.00 0.00 O ATOM 565 CB LYS A 36 -7.006 1.216 12.779 1.00 0.00 C ATOM 566 CG LYS A 36 -7.993 0.397 13.619 1.00 0.00 C ATOM 567 CD LYS A 36 -7.597 0.470 15.098 1.00 0.00 C ATOM 568 CE LYS A 36 -8.587 -0.343 15.938 1.00 0.00 C ATOM 569 NZ LYS A 36 -8.185 -0.289 17.374 1.00 0.00 N ATOM 0 H LYS A 36 -6.717 -0.872 11.468 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.464 1.378 11.188 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.994 0.834 12.913 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.002 2.254 13.113 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.005 0.779 13.484 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.997 -0.640 13.284 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.587 0.083 15.234 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.589 1.508 15.431 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.595 0.054 15.817 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.608 -1.377 15.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.857 -0.841 17.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.230 -0.687 17.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.187 0.699 17.698 1.00 0.00 H new ATOM 583 N ASP A 37 -5.386 1.786 10.109 1.00 0.00 N ATOM 584 CA ASP A 37 -4.516 2.721 9.329 1.00 0.00 C ATOM 585 C ASP A 37 -4.996 2.756 7.876 1.00 0.00 C ATOM 586 O ASP A 37 -4.496 3.509 7.064 1.00 0.00 O ATOM 587 CB ASP A 37 -3.062 2.225 9.370 1.00 0.00 C ATOM 588 CG ASP A 37 -2.496 2.381 10.786 1.00 0.00 C ATOM 589 OD1 ASP A 37 -3.095 3.100 11.567 1.00 0.00 O ATOM 590 OD2 ASP A 37 -1.475 1.772 11.063 1.00 0.00 O ATOM 0 H ASP A 37 -4.970 0.875 10.303 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.571 3.720 9.762 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.017 1.180 9.064 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.456 2.791 8.663 1.00 0.00 H new ATOM 595 N GLU A 38 -5.950 1.928 7.549 1.00 0.00 N ATOM 596 CA GLU A 38 -6.477 1.872 6.153 1.00 0.00 C ATOM 597 C GLU A 38 -6.987 3.254 5.742 1.00 0.00 C ATOM 598 O GLU A 38 -6.829 3.672 4.615 1.00 0.00 O ATOM 599 CB GLU A 38 -7.639 0.866 6.100 1.00 0.00 C ATOM 600 CG GLU A 38 -8.125 0.728 4.654 1.00 0.00 C ATOM 601 CD GLU A 38 -9.237 -0.324 4.571 1.00 0.00 C ATOM 602 OE1 GLU A 38 -9.375 -1.094 5.509 1.00 0.00 O ATOM 603 OE2 GLU A 38 -9.931 -0.341 3.568 1.00 0.00 O ATOM 0 H GLU A 38 -6.394 1.278 8.198 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.684 1.563 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.314 -0.102 6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.455 1.202 6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.494 1.688 4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.294 0.442 4.008 1.00 0.00 H new ATOM 610 N GLY A 39 -7.604 3.954 6.651 1.00 0.00 N ATOM 611 CA GLY A 39 -8.146 5.311 6.334 1.00 0.00 C ATOM 612 C GLY A 39 -7.030 6.353 6.427 1.00 0.00 C ATOM 613 O GLY A 39 -7.213 7.497 6.070 1.00 0.00 O ATOM 0 H GLY A 39 -7.759 3.644 7.610 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.577 5.315 5.333 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.949 5.562 7.027 1.00 0.00 H new ATOM 617 N LYS A 40 -5.881 5.970 6.910 1.00 0.00 N ATOM 618 CA LYS A 40 -4.745 6.939 7.037 1.00 0.00 C ATOM 619 C LYS A 40 -3.836 6.805 5.812 1.00 0.00 C ATOM 620 O LYS A 40 -2.840 7.485 5.689 1.00 0.00 O ATOM 621 CB LYS A 40 -3.948 6.626 8.311 1.00 0.00 C ATOM 622 CG LYS A 40 -4.822 6.901 9.540 1.00 0.00 C ATOM 623 CD LYS A 40 -4.021 6.626 10.818 1.00 0.00 C ATOM 624 CE LYS A 40 -4.901 6.880 12.046 1.00 0.00 C ATOM 625 NZ LYS A 40 -4.128 6.570 13.284 1.00 0.00 N ATOM 0 H LYS A 40 -5.674 5.022 7.225 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.130 7.957 7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.627 5.584 8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.046 7.237 8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.165 7.936 9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.711 6.271 9.514 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.665 5.596 10.821 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.140 7.267 10.851 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.232 7.919 12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.797 6.261 11.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.725 6.742 14.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.834 5.573 13.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.286 7.179 13.329 1.00 0.00 H new ATOM 639 N LEU A 41 -4.179 5.924 4.913 1.00 0.00 N ATOM 640 CA LEU A 41 -3.350 5.714 3.687 1.00 0.00 C ATOM 641 C LEU A 41 -3.401 6.948 2.805 1.00 0.00 C ATOM 642 O LEU A 41 -4.354 7.695 2.813 1.00 0.00 O ATOM 643 CB LEU A 41 -3.890 4.517 2.897 1.00 0.00 C ATOM 644 CG LEU A 41 -3.807 3.245 3.748 1.00 0.00 C ATOM 645 CD1 LEU A 41 -4.428 2.078 2.977 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.337 2.922 4.067 1.00 0.00 C ATOM 0 H LEU A 41 -5.008 5.333 4.974 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.320 5.525 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.924 4.701 2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.316 4.388 1.979 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.349 3.401 4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.370 1.172 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.472 2.302 2.757 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.885 1.928 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.286 2.017 4.672 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.788 2.769 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.893 3.752 4.618 1.00 0.00 H new ATOM 658 N VAL A 42 -2.359 7.163 2.045 1.00 0.00 N ATOM 659 CA VAL A 42 -2.301 8.351 1.144 1.00 0.00 C ATOM 660 C VAL A 42 -2.085 7.896 -0.293 1.00 0.00 C ATOM 661 O VAL A 42 -1.209 7.114 -0.597 1.00 0.00 O ATOM 662 CB VAL A 42 -1.151 9.264 1.585 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.153 8.469 1.710 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.977 10.385 0.557 1.00 0.00 C ATOM 0 H VAL A 42 -1.537 6.559 2.010 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.240 8.901 1.202 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.389 9.689 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.957 9.135 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.028 7.678 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.404 8.027 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.160 11.038 0.865 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.748 9.953 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.898 10.963 0.490 1.00 0.00 H new ATOM 674 N LYS A 43 -2.901 8.396 -1.176 1.00 0.00 N ATOM 675 CA LYS A 43 -2.798 8.034 -2.617 1.00 0.00 C ATOM 676 C LYS A 43 -1.979 9.080 -3.370 1.00 0.00 C ATOM 677 O LYS A 43 -2.135 10.269 -3.182 1.00 0.00 O ATOM 678 CB LYS A 43 -4.204 7.953 -3.225 1.00 0.00 C ATOM 679 CG LYS A 43 -4.094 7.489 -4.682 1.00 0.00 C ATOM 680 CD LYS A 43 -5.493 7.324 -5.281 1.00 0.00 C ATOM 681 CE LYS A 43 -5.370 6.847 -6.730 1.00 0.00 C ATOM 682 NZ LYS A 43 -6.730 6.668 -7.312 1.00 0.00 N ATOM 0 H LYS A 43 -3.650 9.053 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.302 7.067 -2.703 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.821 7.259 -2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.692 8.927 -3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.523 8.214 -5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.553 6.544 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.069 6.606 -4.697 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.032 8.271 -5.242 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.805 7.572 -7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.820 5.907 -6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.646 6.344 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.254 5.961 -6.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.240 7.574 -7.288 1.00 0.00 H new ATOM 696 N GLY A 44 -1.132 8.625 -4.247 1.00 0.00 N ATOM 697 CA GLY A 44 -0.305 9.551 -5.071 1.00 0.00 C ATOM 698 C GLY A 44 0.910 10.034 -4.285 1.00 0.00 C ATOM 699 O GLY A 44 1.445 11.086 -4.561 1.00 0.00 O ATOM 0 H GLY A 44 -0.974 7.634 -4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.021 9.044 -5.979 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.907 10.405 -5.381 1.00 0.00 H new ATOM 703 N SER A 45 1.359 9.281 -3.316 1.00 0.00 N ATOM 704 CA SER A 45 2.552 9.715 -2.523 1.00 0.00 C ATOM 705 C SER A 45 3.464 8.528 -2.227 1.00 0.00 C ATOM 706 O SER A 45 3.150 7.383 -2.505 1.00 0.00 O ATOM 707 CB SER A 45 2.094 10.334 -1.208 1.00 0.00 C ATOM 708 OG SER A 45 3.197 10.997 -0.601 1.00 0.00 O ATOM 0 H SER A 45 0.955 8.387 -3.038 1.00 0.00 H new ATOM 0 HA SER A 45 3.107 10.449 -3.108 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.282 11.039 -1.386 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.706 9.562 -0.543 1.00 0.00 H new ATOM 0 HG SER A 45 2.911 11.400 0.245 1.00 0.00 H new ATOM 714 N MET A 46 4.608 8.819 -1.671 1.00 0.00 N ATOM 715 CA MET A 46 5.593 7.757 -1.346 1.00 0.00 C ATOM 716 C MET A 46 5.155 7.006 -0.103 1.00 0.00 C ATOM 717 O MET A 46 4.638 7.570 0.839 1.00 0.00 O ATOM 718 CB MET A 46 6.969 8.385 -1.113 1.00 0.00 C ATOM 719 CG MET A 46 7.498 8.942 -2.434 1.00 0.00 C ATOM 720 SD MET A 46 9.135 9.668 -2.175 1.00 0.00 S ATOM 721 CE MET A 46 9.288 10.456 -3.798 1.00 0.00 C ATOM 0 H MET A 46 4.903 9.764 -1.426 1.00 0.00 H new ATOM 0 HA MET A 46 5.652 7.058 -2.180 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.898 9.181 -0.372 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.659 7.641 -0.716 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.555 8.148 -3.178 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.813 9.695 -2.823 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.245 10.974 -3.862 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.234 9.696 -4.578 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.477 11.172 -3.933 1.00 0.00 H new ATOM 731 N VAL A 47 5.364 5.724 -0.111 1.00 0.00 N ATOM 732 CA VAL A 47 4.974 4.873 1.047 1.00 0.00 C ATOM 733 C VAL A 47 6.101 3.905 1.374 1.00 0.00 C ATOM 734 O VAL A 47 6.980 3.661 0.573 1.00 0.00 O ATOM 735 CB VAL A 47 3.711 4.085 0.695 1.00 0.00 C ATOM 736 CG1 VAL A 47 2.545 5.055 0.498 1.00 0.00 C ATOM 737 CG2 VAL A 47 3.935 3.292 -0.599 1.00 0.00 C ATOM 0 H VAL A 47 5.796 5.218 -0.884 1.00 0.00 H new ATOM 0 HA VAL A 47 4.781 5.506 1.913 1.00 0.00 H new ATOM 0 HB VAL A 47 3.482 3.394 1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.644 4.495 0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 47 2.379 5.616 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.780 5.746 -0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.032 2.733 -0.844 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.168 3.980 -1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.765 2.599 -0.462 1.00 0.00 H new ATOM 747 N HIS A 48 6.073 3.360 2.558 1.00 0.00 N ATOM 748 CA HIS A 48 7.135 2.397 2.990 1.00 0.00 C ATOM 749 C HIS A 48 6.501 1.065 3.374 1.00 0.00 C ATOM 750 O HIS A 48 5.563 0.998 4.144 1.00 0.00 O ATOM 751 CB HIS A 48 7.890 2.980 4.186 1.00 0.00 C ATOM 752 CG HIS A 48 9.072 2.104 4.499 1.00 0.00 C ATOM 753 ND1 HIS A 48 8.973 0.988 5.317 1.00 0.00 N ATOM 754 CD2 HIS A 48 10.388 2.167 4.111 1.00 0.00 C ATOM 755 CE1 HIS A 48 10.194 0.431 5.392 1.00 0.00 C ATOM 756 NE2 HIS A 48 11.094 1.111 4.675 1.00 0.00 N ATOM 0 H HIS A 48 5.352 3.541 3.256 1.00 0.00 H new ATOM 0 HA HIS A 48 7.832 2.231 2.168 1.00 0.00 H new ATOM 0 HB2 HIS A 48 8.222 3.994 3.962 1.00 0.00 H new ATOM 0 HB3 HIS A 48 7.230 3.044 5.051 1.00 0.00 H new ATOM 0 HD2 HIS A 48 10.810 2.923 3.465 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.420 -0.458 5.962 1.00 0.00 H new ATOM 0 HE2 HIS A 48 12.086 0.900 4.565 1.00 0.00 H new ATOM 764 N PHE A 49 7.024 0.005 2.826 1.00 0.00 N ATOM 765 CA PHE A 49 6.494 -1.356 3.125 1.00 0.00 C ATOM 766 C PHE A 49 7.609 -2.387 2.984 1.00 0.00 C ATOM 767 O PHE A 49 8.611 -2.163 2.332 1.00 0.00 O ATOM 768 CB PHE A 49 5.371 -1.701 2.149 1.00 0.00 C ATOM 769 CG PHE A 49 5.914 -1.783 0.740 1.00 0.00 C ATOM 770 CD1 PHE A 49 6.479 -2.979 0.276 1.00 0.00 C ATOM 771 CD2 PHE A 49 5.851 -0.668 -0.106 1.00 0.00 C ATOM 772 CE1 PHE A 49 6.982 -3.058 -1.030 1.00 0.00 C ATOM 773 CE2 PHE A 49 6.353 -0.748 -1.412 1.00 0.00 C ATOM 774 CZ PHE A 49 6.918 -1.943 -1.874 1.00 0.00 C ATOM 0 H PHE A 49 7.808 0.023 2.174 1.00 0.00 H new ATOM 0 HA PHE A 49 6.110 -1.368 4.145 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.916 -2.651 2.428 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.588 -0.945 2.202 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.527 -3.841 0.925 1.00 0.00 H new ATOM 0 HD2 PHE A 49 5.415 0.254 0.249 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.419 -3.979 -1.385 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.304 0.113 -2.063 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.304 -2.004 -2.881 1.00 0.00 H new ATOM 784 N ASP A 50 7.428 -3.522 3.606 1.00 0.00 N ATOM 785 CA ASP A 50 8.454 -4.600 3.546 1.00 0.00 C ATOM 786 C ASP A 50 8.059 -5.617 2.464 1.00 0.00 C ATOM 787 O ASP A 50 6.894 -5.919 2.284 1.00 0.00 O ATOM 788 CB ASP A 50 8.525 -5.306 4.912 1.00 0.00 C ATOM 789 CG ASP A 50 9.145 -6.704 4.763 1.00 0.00 C ATOM 790 OD1 ASP A 50 8.447 -7.592 4.303 1.00 0.00 O ATOM 791 OD2 ASP A 50 10.312 -6.851 5.085 1.00 0.00 O ATOM 0 H ASP A 50 6.602 -3.749 4.160 1.00 0.00 H new ATOM 0 HA ASP A 50 9.427 -4.171 3.304 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.119 -4.710 5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.525 -5.389 5.338 1.00 0.00 H new ATOM 796 N PRO A 51 9.027 -6.155 1.765 1.00 0.00 N ATOM 797 CA PRO A 51 8.776 -7.162 0.697 1.00 0.00 C ATOM 798 C PRO A 51 8.240 -8.478 1.261 1.00 0.00 C ATOM 799 O PRO A 51 8.654 -8.931 2.309 1.00 0.00 O ATOM 800 CB PRO A 51 10.159 -7.349 0.050 1.00 0.00 C ATOM 801 CG PRO A 51 11.131 -6.983 1.121 1.00 0.00 C ATOM 802 CD PRO A 51 10.468 -5.874 1.916 1.00 0.00 C ATOM 0 HA PRO A 51 8.014 -6.836 -0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.305 -8.377 -0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.276 -6.711 -0.826 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.355 -7.840 1.756 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.076 -6.647 0.694 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.773 -5.893 2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.728 -4.890 1.526 1.00 0.00 H new ATOM 810 N THR A 52 7.325 -9.089 0.564 1.00 0.00 N ATOM 811 CA THR A 52 6.746 -10.380 1.037 1.00 0.00 C ATOM 812 C THR A 52 6.242 -11.193 -0.165 1.00 0.00 C ATOM 813 O THR A 52 5.098 -11.072 -0.564 1.00 0.00 O ATOM 814 CB THR A 52 5.579 -10.094 1.981 1.00 0.00 C ATOM 815 OG1 THR A 52 6.077 -9.483 3.164 1.00 0.00 O ATOM 816 CG2 THR A 52 4.876 -11.406 2.342 1.00 0.00 C ATOM 0 H THR A 52 6.949 -8.748 -0.321 1.00 0.00 H new ATOM 0 HA THR A 52 7.513 -10.950 1.562 1.00 0.00 H new ATOM 0 HB THR A 52 4.868 -9.428 1.493 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.044 -9.350 3.081 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.044 -11.200 3.015 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.500 -11.879 1.435 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.583 -12.074 2.833 1.00 0.00 H new ATOM 824 N PRO A 53 7.079 -12.026 -0.735 1.00 0.00 N ATOM 825 CA PRO A 53 6.692 -12.874 -1.898 1.00 0.00 C ATOM 826 C PRO A 53 5.465 -13.726 -1.594 1.00 0.00 C ATOM 827 O PRO A 53 5.302 -14.246 -0.508 1.00 0.00 O ATOM 828 CB PRO A 53 7.931 -13.756 -2.151 1.00 0.00 C ATOM 829 CG PRO A 53 9.069 -13.006 -1.533 1.00 0.00 C ATOM 830 CD PRO A 53 8.479 -12.239 -0.350 1.00 0.00 C ATOM 0 HA PRO A 53 6.417 -12.276 -2.766 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.814 -14.741 -1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.094 -13.913 -3.217 1.00 0.00 H new ATOM 0 HG2 PRO A 53 9.852 -13.689 -1.203 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.523 -12.324 -2.252 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.557 -12.809 0.576 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.997 -11.294 -0.187 1.00 0.00 H new ATOM 838 N THR A 54 4.600 -13.850 -2.560 1.00 0.00 N ATOM 839 CA THR A 54 3.356 -14.643 -2.374 1.00 0.00 C ATOM 840 C THR A 54 3.058 -15.440 -3.656 1.00 0.00 C ATOM 841 O THR A 54 3.535 -15.110 -4.724 1.00 0.00 O ATOM 842 CB THR A 54 2.197 -13.667 -2.071 1.00 0.00 C ATOM 843 OG1 THR A 54 2.489 -12.397 -2.639 1.00 0.00 O ATOM 844 CG2 THR A 54 2.030 -13.522 -0.555 1.00 0.00 C ATOM 0 H THR A 54 4.704 -13.429 -3.483 1.00 0.00 H new ATOM 0 HA THR A 54 3.472 -15.344 -1.548 1.00 0.00 H new ATOM 0 HB THR A 54 1.274 -14.056 -2.501 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.890 -12.232 -3.397 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.212 -12.833 -0.343 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.807 -14.496 -0.119 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.952 -13.134 -0.123 1.00 0.00 H new ATOM 852 N PRO A 55 2.252 -16.472 -3.544 1.00 0.00 N ATOM 853 CA PRO A 55 1.866 -17.329 -4.704 1.00 0.00 C ATOM 854 C PRO A 55 1.472 -16.496 -5.931 1.00 0.00 C ATOM 855 O PRO A 55 1.777 -16.845 -7.051 1.00 0.00 O ATOM 856 CB PRO A 55 0.646 -18.105 -4.177 1.00 0.00 C ATOM 857 CG PRO A 55 0.850 -18.194 -2.698 1.00 0.00 C ATOM 858 CD PRO A 55 1.633 -16.947 -2.289 1.00 0.00 C ATOM 0 HA PRO A 55 2.687 -17.965 -5.036 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.283 -17.588 -4.416 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.585 -19.096 -4.627 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.106 -18.239 -2.177 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.398 -19.099 -2.436 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.978 -16.190 -1.858 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.387 -17.180 -1.538 1.00 0.00 H new ATOM 866 N LYS A 56 0.797 -15.402 -5.712 1.00 0.00 N ATOM 867 CA LYS A 56 0.373 -14.532 -6.847 1.00 0.00 C ATOM 868 C LYS A 56 1.611 -13.966 -7.539 1.00 0.00 C ATOM 869 O LYS A 56 1.678 -13.897 -8.747 1.00 0.00 O ATOM 870 CB LYS A 56 -0.474 -13.378 -6.321 1.00 0.00 C ATOM 871 CG LYS A 56 -1.821 -13.911 -5.825 1.00 0.00 C ATOM 872 CD LYS A 56 -2.640 -12.758 -5.220 1.00 0.00 C ATOM 873 CE LYS A 56 -3.325 -11.966 -6.339 1.00 0.00 C ATOM 874 NZ LYS A 56 -4.159 -12.889 -7.160 1.00 0.00 N ATOM 0 H LYS A 56 0.518 -15.070 -4.789 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.211 -15.121 -7.554 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.048 -12.871 -5.510 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.631 -12.641 -7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.369 -14.367 -6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.663 -14.689 -5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.387 -13.152 -4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.989 -12.101 -4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.946 -11.178 -5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.577 -11.479 -6.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.923 -12.352 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.567 -13.338 -7.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.570 -13.622 -6.548 1.00 0.00 H new ATOM 888 N GLY A 57 2.594 -13.562 -6.780 1.00 0.00 N ATOM 889 CA GLY A 57 3.840 -13.007 -7.393 1.00 0.00 C ATOM 890 C GLY A 57 4.464 -11.960 -6.467 1.00 0.00 C ATOM 891 O GLY A 57 5.334 -12.256 -5.673 1.00 0.00 O ATOM 0 H GLY A 57 2.590 -13.592 -5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.553 -13.811 -7.577 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.610 -12.558 -8.359 1.00 0.00 H new ATOM 895 N LEU A 58 4.032 -10.729 -6.586 1.00 0.00 N ATOM 896 CA LEU A 58 4.598 -9.624 -5.743 1.00 0.00 C ATOM 897 C LEU A 58 3.528 -9.092 -4.795 1.00 0.00 C ATOM 898 O LEU A 58 2.401 -8.855 -5.173 1.00 0.00 O ATOM 899 CB LEU A 58 5.096 -8.488 -6.646 1.00 0.00 C ATOM 900 CG LEU A 58 6.102 -9.038 -7.667 1.00 0.00 C ATOM 901 CD1 LEU A 58 6.559 -7.907 -8.596 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.319 -9.622 -6.935 1.00 0.00 C ATOM 0 H LEU A 58 3.304 -10.437 -7.238 1.00 0.00 H new ATOM 0 HA LEU A 58 5.431 -10.014 -5.159 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.255 -8.027 -7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.565 -7.710 -6.043 1.00 0.00 H new ATOM 0 HG LEU A 58 5.625 -9.822 -8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.273 -8.298 -9.321 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.697 -7.497 -9.121 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.033 -7.121 -8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.030 -10.011 -7.664 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.797 -8.841 -6.343 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.995 -10.429 -6.278 1.00 0.00 H new ATOM 914 N ALA A 59 3.892 -8.900 -3.559 1.00 0.00 N ATOM 915 CA ALA A 59 2.921 -8.377 -2.556 1.00 0.00 C ATOM 916 C ALA A 59 3.654 -7.555 -1.500 1.00 0.00 C ATOM 917 O ALA A 59 4.797 -7.805 -1.176 1.00 0.00 O ATOM 918 CB ALA A 59 2.202 -9.543 -1.882 1.00 0.00 C ATOM 0 H ALA A 59 4.828 -9.084 -3.197 1.00 0.00 H new ATOM 0 HA ALA A 59 2.194 -7.743 -3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.493 -9.158 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.668 -10.124 -2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.931 -10.180 -1.381 1.00 0.00 H new ATOM 924 N ALA A 60 2.988 -6.566 -0.972 1.00 0.00 N ATOM 925 CA ALA A 60 3.608 -5.686 0.066 1.00 0.00 C ATOM 926 C ALA A 60 3.034 -6.024 1.435 1.00 0.00 C ATOM 927 O ALA A 60 1.842 -6.175 1.606 1.00 0.00 O ATOM 928 CB ALA A 60 3.312 -4.223 -0.267 1.00 0.00 C ATOM 0 H ALA A 60 2.028 -6.325 -1.217 1.00 0.00 H new ATOM 0 HA ALA A 60 4.686 -5.846 0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.763 -3.579 0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.728 -3.981 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.234 -4.064 -0.282 1.00 0.00 H new ATOM 934 N LYS A 61 3.896 -6.151 2.408 1.00 0.00 N ATOM 935 CA LYS A 61 3.453 -6.490 3.796 1.00 0.00 C ATOM 936 C LYS A 61 3.825 -5.366 4.764 1.00 0.00 C ATOM 937 O LYS A 61 4.861 -4.741 4.656 1.00 0.00 O ATOM 938 CB LYS A 61 4.130 -7.788 4.246 1.00 0.00 C ATOM 939 CG LYS A 61 3.582 -8.185 5.619 1.00 0.00 C ATOM 940 CD LYS A 61 4.197 -9.511 6.067 1.00 0.00 C ATOM 941 CE LYS A 61 3.620 -9.896 7.430 1.00 0.00 C ATOM 942 NZ LYS A 61 4.222 -11.182 7.883 1.00 0.00 N ATOM 0 H LYS A 61 4.903 -6.033 2.300 1.00 0.00 H new ATOM 0 HA LYS A 61 2.370 -6.616 3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.943 -8.581 3.522 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.210 -7.651 4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.807 -7.406 6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.497 -8.275 5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.984 -10.290 5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.281 -9.420 6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.825 -9.111 8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.536 -9.994 7.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.828 -11.442 8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.005 -11.929 7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.253 -11.073 7.963 1.00 0.00 H new ATOM 956 N ALA A 62 2.965 -5.135 5.717 1.00 0.00 N ATOM 957 CA ALA A 62 3.191 -4.080 6.747 1.00 0.00 C ATOM 958 C ALA A 62 3.377 -2.725 6.070 1.00 0.00 C ATOM 959 O ALA A 62 4.409 -2.096 6.174 1.00 0.00 O ATOM 960 CB ALA A 62 4.413 -4.435 7.591 1.00 0.00 C ATOM 0 H ALA A 62 2.090 -5.648 5.828 1.00 0.00 H new ATOM 0 HA ALA A 62 2.322 -4.022 7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.574 -3.661 8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.248 -5.392 8.086 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.291 -4.505 6.949 1.00 0.00 H new ATOM 966 N ILE A 63 2.364 -2.278 5.383 1.00 0.00 N ATOM 967 CA ILE A 63 2.433 -0.965 4.687 1.00 0.00 C ATOM 968 C ILE A 63 2.292 0.163 5.699 1.00 0.00 C ATOM 969 O ILE A 63 1.477 0.113 6.597 1.00 0.00 O ATOM 970 CB ILE A 63 1.310 -0.869 3.650 1.00 0.00 C ATOM 971 CG1 ILE A 63 1.555 -1.895 2.540 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.290 0.541 3.049 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.316 -2.000 1.647 1.00 0.00 C ATOM 0 H ILE A 63 1.479 -2.774 5.273 1.00 0.00 H new ATOM 0 HA ILE A 63 3.396 -0.878 4.184 1.00 0.00 H new ATOM 0 HB ILE A 63 0.352 -1.073 4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.419 -1.601 1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.784 -2.868 2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.491 0.611 2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.118 1.271 3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.247 0.745 2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.496 -2.731 0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.539 -2.315 2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.107 -1.028 1.199 1.00 0.00 H new ATOM 985 N SER A 64 3.097 1.178 5.554 1.00 0.00 N ATOM 986 CA SER A 64 3.048 2.335 6.499 1.00 0.00 C ATOM 987 C SER A 64 3.048 3.645 5.723 1.00 0.00 C ATOM 988 O SER A 64 3.419 3.709 4.567 1.00 0.00 O ATOM 989 CB SER A 64 4.263 2.292 7.422 1.00 0.00 C ATOM 990 OG SER A 64 5.453 2.211 6.646 1.00 0.00 O ATOM 0 H SER A 64 3.795 1.259 4.814 1.00 0.00 H new ATOM 0 HA SER A 64 2.135 2.271 7.091 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.287 3.183 8.049 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.194 1.433 8.090 1.00 0.00 H new ATOM 0 HG SER A 64 5.288 1.662 5.851 1.00 0.00 H new ATOM 996 N LEU A 65 2.611 4.686 6.378 1.00 0.00 N ATOM 997 CA LEU A 65 2.536 6.037 5.750 1.00 0.00 C ATOM 998 C LEU A 65 3.587 6.950 6.411 1.00 0.00 C ATOM 999 O LEU A 65 3.356 7.494 7.476 1.00 0.00 O ATOM 1000 CB LEU A 65 1.132 6.616 5.970 1.00 0.00 C ATOM 1001 CG LEU A 65 0.608 6.248 7.378 1.00 0.00 C ATOM 1002 CD1 LEU A 65 -0.260 7.389 7.919 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -0.235 4.965 7.302 1.00 0.00 C ATOM 0 H LEU A 65 2.295 4.655 7.347 1.00 0.00 H new ATOM 0 HA LEU A 65 2.733 5.968 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.158 7.700 5.857 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.451 6.232 5.210 1.00 0.00 H new ATOM 0 HG LEU A 65 1.457 6.086 8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.628 7.127 8.911 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.335 8.300 7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.105 7.552 7.250 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.601 4.711 8.297 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.081 5.125 6.634 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.379 4.148 6.922 1.00 0.00 H new ATOM 1015 N PRO A 66 4.731 7.118 5.789 1.00 0.00 N ATOM 1016 CA PRO A 66 5.824 7.977 6.333 1.00 0.00 C ATOM 1017 C PRO A 66 5.314 9.372 6.701 1.00 0.00 C ATOM 1018 O PRO A 66 5.758 9.974 7.654 1.00 0.00 O ATOM 1019 CB PRO A 66 6.822 8.063 5.165 1.00 0.00 C ATOM 1020 CG PRO A 66 6.600 6.813 4.383 1.00 0.00 C ATOM 1021 CD PRO A 66 5.116 6.501 4.510 1.00 0.00 C ATOM 0 HA PRO A 66 6.256 7.571 7.248 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.642 8.948 4.555 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.849 8.127 5.526 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.883 6.950 3.339 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.206 5.995 4.773 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.548 6.918 3.679 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.933 5.426 4.514 1.00 0.00 H new ATOM 1029 N LEU A 67 4.393 9.884 5.933 1.00 0.00 N ATOM 1030 CA LEU A 67 3.847 11.244 6.212 1.00 0.00 C ATOM 1031 C LEU A 67 2.849 11.165 7.358 1.00 0.00 C ATOM 1032 O LEU A 67 1.936 10.366 7.355 1.00 0.00 O ATOM 1033 CB LEU A 67 3.157 11.791 4.952 1.00 0.00 C ATOM 1034 CG LEU A 67 4.211 12.086 3.856 1.00 0.00 C ATOM 1035 CD1 LEU A 67 4.423 10.842 2.985 1.00 0.00 C ATOM 1036 CD2 LEU A 67 3.732 13.243 2.973 1.00 0.00 C ATOM 0 H LEU A 67 3.992 9.417 5.119 1.00 0.00 H new ATOM 0 HA LEU A 67 4.661 11.913 6.491 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.429 11.068 4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.608 12.701 5.194 1.00 0.00 H new ATOM 0 HG LEU A 67 5.151 12.357 4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.166 11.058 2.217 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.773 10.018 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.481 10.565 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.477 13.446 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.787 12.973 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.590 14.134 3.585 1.00 0.00 H new ATOM 1048 N GLU A 68 3.038 11.995 8.345 1.00 0.00 N ATOM 1049 CA GLU A 68 2.134 12.001 9.535 1.00 0.00 C ATOM 1050 C GLU A 68 1.080 13.092 9.388 1.00 0.00 C ATOM 1051 O GLU A 68 1.380 14.243 9.146 1.00 0.00 O ATOM 1052 CB GLU A 68 2.972 12.244 10.797 1.00 0.00 C ATOM 1053 CG GLU A 68 3.912 11.049 11.030 1.00 0.00 C ATOM 1054 CD GLU A 68 5.166 11.174 10.154 1.00 0.00 C ATOM 1055 OE1 GLU A 68 5.222 12.090 9.349 1.00 0.00 O ATOM 1056 OE2 GLU A 68 6.046 10.341 10.301 1.00 0.00 O ATOM 0 H GLU A 68 3.792 12.681 8.380 1.00 0.00 H new ATOM 0 HA GLU A 68 1.626 11.040 9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.552 13.160 10.690 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.319 12.379 11.659 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.198 11.003 12.081 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.392 10.119 10.800 1.00 0.00 H new ATOM 1063 N HIS A 69 -0.161 12.719 9.528 1.00 0.00 N ATOM 1064 CA HIS A 69 -1.279 13.698 9.394 1.00 0.00 C ATOM 1065 C HIS A 69 -1.657 14.263 10.762 1.00 0.00 C ATOM 1066 O HIS A 69 -2.034 13.543 11.664 1.00 0.00 O ATOM 1067 CB HIS A 69 -2.489 12.990 8.783 1.00 0.00 C ATOM 1068 CG HIS A 69 -3.544 14.011 8.460 1.00 0.00 C ATOM 1069 ND1 HIS A 69 -3.333 15.016 7.530 1.00 0.00 N ATOM 1070 CD2 HIS A 69 -4.813 14.208 8.946 1.00 0.00 C ATOM 1071 CE1 HIS A 69 -4.448 15.767 7.485 1.00 0.00 C ATOM 1072 NE2 HIS A 69 -5.382 15.318 8.328 1.00 0.00 N ATOM 0 H HIS A 69 -0.454 11.764 9.733 1.00 0.00 H new ATOM 0 HA HIS A 69 -0.962 14.520 8.752 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -2.195 12.454 7.880 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.883 12.250 9.479 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -5.296 13.596 9.693 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.573 16.628 6.845 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.312 15.705 8.485 1.00 0.00 H new ATOM 1080 N HIS A 70 -1.568 15.558 10.911 1.00 0.00 N ATOM 1081 CA HIS A 70 -1.929 16.203 12.211 1.00 0.00 C ATOM 1082 C HIS A 70 -2.469 17.614 11.969 1.00 0.00 C ATOM 1083 O HIS A 70 -2.335 18.175 10.900 1.00 0.00 O ATOM 1084 CB HIS A 70 -0.696 16.281 13.107 1.00 0.00 C ATOM 1085 CG HIS A 70 -0.224 14.890 13.425 1.00 0.00 C ATOM 1086 ND1 HIS A 70 -0.939 14.041 14.255 1.00 0.00 N ATOM 1087 CD2 HIS A 70 0.888 14.185 13.036 1.00 0.00 C ATOM 1088 CE1 HIS A 70 -0.257 12.886 14.338 1.00 0.00 C ATOM 1089 NE2 HIS A 70 0.865 12.919 13.613 1.00 0.00 N ATOM 0 H HIS A 70 -1.259 16.203 10.184 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.699 15.604 12.698 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.095 16.841 12.608 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.934 16.816 14.027 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -1.822 14.254 14.719 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.663 14.557 12.382 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.577 12.034 14.920 1.00 0.00 H new ATOM 1097 N HIS A 71 -3.099 18.175 12.964 1.00 0.00 N ATOM 1098 CA HIS A 71 -3.684 19.540 12.823 1.00 0.00 C ATOM 1099 C HIS A 71 -2.578 20.590 12.829 1.00 0.00 C ATOM 1100 O HIS A 71 -1.714 20.602 13.681 1.00 0.00 O ATOM 1101 CB HIS A 71 -4.649 19.807 13.980 1.00 0.00 C ATOM 1102 CG HIS A 71 -5.758 18.789 13.952 1.00 0.00 C ATOM 1103 ND1 HIS A 71 -6.765 18.818 13.001 1.00 0.00 N ATOM 1104 CD2 HIS A 71 -6.030 17.710 14.755 1.00 0.00 C ATOM 1105 CE1 HIS A 71 -7.589 17.783 13.252 1.00 0.00 C ATOM 1106 NE2 HIS A 71 -7.187 17.076 14.311 1.00 0.00 N ATOM 0 H HIS A 71 -3.235 17.743 13.878 1.00 0.00 H new ATOM 0 HA HIS A 71 -4.223 19.598 11.877 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -4.118 19.756 14.930 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.062 20.813 13.899 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -5.437 17.400 15.602 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -8.468 17.553 12.668 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.632 16.249 14.709 1.00 0.00 H new ATOM 1114 N HIS A 72 -2.610 21.464 11.866 1.00 0.00 N ATOM 1115 CA HIS A 72 -1.574 22.530 11.764 1.00 0.00 C ATOM 1116 C HIS A 72 -1.938 23.722 12.644 1.00 0.00 C ATOM 1117 O HIS A 72 -3.094 24.023 12.868 1.00 0.00 O ATOM 1118 CB HIS A 72 -1.466 22.985 10.308 1.00 0.00 C ATOM 1119 CG HIS A 72 -2.759 23.614 9.868 1.00 0.00 C ATOM 1120 ND1 HIS A 72 -2.926 24.988 9.789 1.00 0.00 N ATOM 1121 CD2 HIS A 72 -3.952 23.068 9.463 1.00 0.00 C ATOM 1122 CE1 HIS A 72 -4.176 25.221 9.347 1.00 0.00 C ATOM 1123 NE2 HIS A 72 -4.846 24.085 9.134 1.00 0.00 N ATOM 0 H HIS A 72 -3.320 21.487 11.134 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.619 22.128 12.103 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.650 23.700 10.201 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.230 22.134 9.669 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -4.165 22.011 9.408 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -4.587 26.206 9.184 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.805 23.984 8.802 1.00 0.00 H new ATOM 1131 N HIS A 73 -0.939 24.398 13.142 1.00 0.00 N ATOM 1132 CA HIS A 73 -1.179 25.578 14.018 1.00 0.00 C ATOM 1133 C HIS A 73 -1.771 26.724 13.205 1.00 0.00 C ATOM 1134 O HIS A 73 -1.422 26.941 12.064 1.00 0.00 O ATOM 1135 CB HIS A 73 0.144 26.019 14.661 1.00 0.00 C ATOM 1136 CG HIS A 73 1.074 26.563 13.609 1.00 0.00 C ATOM 1137 ND1 HIS A 73 0.780 27.703 12.879 1.00 0.00 N ATOM 1138 CD2 HIS A 73 2.299 26.134 13.154 1.00 0.00 C ATOM 1139 CE1 HIS A 73 1.802 27.919 12.031 1.00 0.00 C ATOM 1140 NE2 HIS A 73 2.756 26.993 12.158 1.00 0.00 N ATOM 0 H HIS A 73 0.044 24.180 12.977 1.00 0.00 H new ATOM 0 HA HIS A 73 -1.886 25.304 14.801 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.046 26.780 15.418 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.610 25.174 15.168 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.826 25.263 13.514 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.846 28.741 11.332 1.00 0.00 H new ATOM 0 HE2 HIS A 73 3.631 26.929 11.638 1.00 0.00 H new ATOM 1148 N HIS A 74 -2.673 27.449 13.802 1.00 0.00 N ATOM 1149 CA HIS A 74 -3.323 28.593 13.101 1.00 0.00 C ATOM 1150 C HIS A 74 -3.789 29.626 14.134 1.00 0.00 C ATOM 1151 O HIS A 74 -4.929 30.058 14.040 1.00 0.00 O ATOM 1152 CB HIS A 74 -4.527 28.076 12.306 1.00 0.00 C ATOM 1153 CG HIS A 74 -5.593 27.575 13.246 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -5.505 26.344 13.878 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -6.784 28.122 13.658 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -6.613 26.192 14.628 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -7.426 27.248 14.530 1.00 0.00 N ATOM 1158 OXT HIS A 74 -3.001 29.968 14.999 1.00 0.00 O ATOM 0 H HIS A 74 -2.993 27.297 14.759 1.00 0.00 H new ATOM 0 HA HIS A 74 -2.612 29.062 12.421 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -4.929 28.873 11.680 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -4.214 27.273 11.638 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -7.165 29.085 13.351 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -6.819 25.323 15.235 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -8.324 27.384 14.994 1.00 0.00 H new TER 1166 HIS A 74