USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 626 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 THR OG1 : rot 180:sc= -1.02 USER MOD Set 1.2: A 17 HIS : no HD1:sc= -2.24 K(o=-3.3,f=-5.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot -33:sc= 0.523! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -14.8! C(o=-21!,f=-15!) USER MOD Single : A 15 ASN : amide:sc= -8.45! C(o=-8.5!,f=-9.2!) USER MOD Single : A 16 SER OG : rot -32:sc= -1.22 USER MOD Single : A 20 LYS NZ :NH3+ -146:sc= -0.391 (180deg=-1.71!) USER MOD Single : A 23 HIS : no HD1:sc= -0.186 X(o=-0.19,f=-0.49) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00642 USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -0.219 (180deg=-0.721) USER MOD Single : A 39 LYS NZ :NH3+ -149:sc= -0.333 (180deg=-1.52!) USER MOD Single : A 40 ASN : amide:sc= -4.91! C(o=-4.9!,f=-11!) USER MOD Single : A 42 SER OG : rot 82:sc= -0.914! USER MOD Single : A 47 SER OG : rot -151:sc= -1.49 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 60:sc= 1.06 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.331 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS :FLIP no HD1:sc= -6.91! C(o=-9.3!,f=-6.9!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -19.5! C(o=-19!,f=-24!) USER MOD Single : A 67 GLN : amide:sc= -6.2! C(o=-6.2!,f=-7!) USER MOD Single : A 71 LYS NZ :NH3+ 126:sc= 0.898 (180deg=-0.875) USER MOD Single : A 72 THR OG1 : rot -68:sc= 1.02 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.852 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.451 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.546 20.997 -2.262 1.00 0.00 N ATOM 2 CA GLY A 1 7.916 19.644 -2.763 1.00 0.00 C ATOM 3 C GLY A 1 6.706 18.762 -3.005 1.00 0.00 C ATOM 4 O GLY A 1 5.775 19.153 -3.709 1.00 0.00 O ATOM 0 H1 GLY A 1 8.408 21.560 -2.113 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.939 21.472 -2.960 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.032 20.906 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.479 19.745 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.575 19.161 -2.042 1.00 0.00 H new ATOM 10 N SER A 2 6.721 17.570 -2.421 1.00 0.00 N ATOM 11 CA SER A 2 5.618 16.628 -2.573 1.00 0.00 C ATOM 12 C SER A 2 5.703 15.520 -1.526 1.00 0.00 C ATOM 13 O SER A 2 6.284 14.464 -1.775 1.00 0.00 O ATOM 14 CB SER A 2 5.625 16.021 -3.977 1.00 0.00 C ATOM 15 OG SER A 2 4.593 15.061 -4.124 1.00 0.00 O ATOM 0 H SER A 2 7.486 17.232 -1.837 1.00 0.00 H new ATOM 0 HA SER A 2 4.685 17.173 -2.427 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.500 16.810 -4.718 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.591 15.553 -4.169 1.00 0.00 H new ATOM 0 HG SER A 2 4.619 14.689 -5.030 1.00 0.00 H new ATOM 21 N PRO A 3 5.128 15.749 -0.334 1.00 0.00 N ATOM 22 CA PRO A 3 5.147 14.769 0.753 1.00 0.00 C ATOM 23 C PRO A 3 4.112 13.662 0.569 1.00 0.00 C ATOM 24 O PRO A 3 3.312 13.395 1.466 1.00 0.00 O ATOM 25 CB PRO A 3 4.811 15.615 1.979 1.00 0.00 C ATOM 26 CG PRO A 3 3.940 16.704 1.453 1.00 0.00 C ATOM 27 CD PRO A 3 4.418 16.987 0.051 1.00 0.00 C ATOM 0 HA PRO A 3 6.102 14.247 0.816 1.00 0.00 H new ATOM 0 HB2 PRO A 3 4.296 15.027 2.738 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.712 16.016 2.443 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.893 16.399 1.453 1.00 0.00 H new ATOM 0 HG3 PRO A 3 4.013 17.595 2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.586 17.197 -0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.079 17.853 0.020 1.00 0.00 H new ATOM 35 N GLY A 4 4.135 13.010 -0.592 1.00 0.00 N ATOM 36 CA GLY A 4 3.193 11.936 -0.850 1.00 0.00 C ATOM 37 C GLY A 4 3.797 10.837 -1.726 1.00 0.00 C ATOM 38 O GLY A 4 4.937 10.974 -2.171 1.00 0.00 O ATOM 0 H GLY A 4 4.785 13.205 -1.353 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.867 11.506 0.097 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.307 12.342 -1.338 1.00 0.00 H new ATOM 42 N PHE A 5 3.050 9.746 -1.987 1.00 0.00 N ATOM 43 CA PHE A 5 3.569 8.647 -2.814 1.00 0.00 C ATOM 44 C PHE A 5 2.503 7.996 -3.725 1.00 0.00 C ATOM 45 O PHE A 5 2.794 7.644 -4.867 1.00 0.00 O ATOM 46 CB PHE A 5 4.190 7.559 -1.926 1.00 0.00 C ATOM 47 CG PHE A 5 4.871 8.061 -0.671 1.00 0.00 C ATOM 48 CD1 PHE A 5 5.898 8.992 -0.738 1.00 0.00 C ATOM 49 CD2 PHE A 5 4.486 7.592 0.580 1.00 0.00 C ATOM 50 CE1 PHE A 5 6.522 9.444 0.409 1.00 0.00 C ATOM 51 CE2 PHE A 5 5.108 8.043 1.728 1.00 0.00 C ATOM 52 CZ PHE A 5 6.127 8.969 1.643 1.00 0.00 C ATOM 0 H PHE A 5 2.100 9.606 -1.642 1.00 0.00 H new ATOM 0 HA PHE A 5 4.320 9.097 -3.463 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.407 6.857 -1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.917 7.002 -2.517 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.214 9.368 -1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.690 6.866 0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.319 10.169 0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 5 4.796 7.670 2.693 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.614 9.321 2.540 1.00 0.00 H new ATOM 62 N THR A 6 1.289 7.817 -3.193 1.00 0.00 N ATOM 63 CA THR A 6 0.155 7.182 -3.907 1.00 0.00 C ATOM 64 C THR A 6 0.086 5.665 -3.599 1.00 0.00 C ATOM 65 O THR A 6 1.033 4.929 -3.875 1.00 0.00 O ATOM 66 CB THR A 6 0.230 7.443 -5.424 1.00 0.00 C ATOM 67 OG1 THR A 6 -1.062 7.685 -5.950 1.00 0.00 O ATOM 68 CG2 THR A 6 0.838 6.311 -6.223 1.00 0.00 C ATOM 0 H THR A 6 1.055 8.109 -2.244 1.00 0.00 H new ATOM 0 HA THR A 6 -0.765 7.639 -3.543 1.00 0.00 H new ATOM 0 HB THR A 6 0.881 8.312 -5.523 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.997 7.851 -6.914 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.852 6.578 -7.280 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.857 6.130 -5.881 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.244 5.408 -6.085 1.00 0.00 H new ATOM 76 N CYS A 7 -1.040 5.208 -3.009 1.00 0.00 N ATOM 77 CA CYS A 7 -1.220 3.791 -2.652 1.00 0.00 C ATOM 78 C CYS A 7 -1.553 2.987 -3.893 1.00 0.00 C ATOM 79 O CYS A 7 -2.090 1.887 -3.796 1.00 0.00 O ATOM 80 CB CYS A 7 -2.356 3.586 -1.581 1.00 0.00 C ATOM 81 SG CYS A 7 -3.078 1.904 -1.560 1.00 0.00 S ATOM 0 H CYS A 7 -1.835 5.802 -2.772 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.283 3.446 -2.216 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.952 3.807 -0.593 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.151 4.308 -1.769 1.00 0.00 H new ATOM 86 N CYS A 8 -1.304 3.542 -5.078 1.00 0.00 N ATOM 87 CA CYS A 8 -1.691 2.830 -6.276 1.00 0.00 C ATOM 88 C CYS A 8 -3.186 2.580 -6.122 1.00 0.00 C ATOM 89 O CYS A 8 -3.754 1.629 -6.647 1.00 0.00 O ATOM 90 CB CYS A 8 -0.896 1.526 -6.380 1.00 0.00 C ATOM 91 SG CYS A 8 -1.535 0.318 -7.569 1.00 0.00 S ATOM 0 H CYS A 8 -0.854 4.446 -5.225 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.485 3.386 -7.191 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.132 1.768 -6.650 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.865 1.060 -5.395 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.831 0.405 -7.622 1.00 0.00 H new ATOM 97 N VAL A 9 -3.777 3.469 -5.318 1.00 0.00 N ATOM 98 CA VAL A 9 -5.176 3.432 -4.957 1.00 0.00 C ATOM 99 C VAL A 9 -6.036 3.892 -6.124 1.00 0.00 C ATOM 100 O VAL A 9 -6.202 5.091 -6.356 1.00 0.00 O ATOM 101 CB VAL A 9 -5.387 4.360 -3.716 1.00 0.00 C ATOM 102 CG1 VAL A 9 -4.543 5.607 -3.861 1.00 0.00 C ATOM 103 CG2 VAL A 9 -6.839 4.756 -3.481 1.00 0.00 C ATOM 0 H VAL A 9 -3.273 4.249 -4.896 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.472 2.413 -4.710 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.079 3.779 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.693 6.251 -2.994 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.491 5.329 -3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.836 6.141 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.903 5.399 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.215 5.292 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.439 3.860 -3.319 1.00 0.00 H new ATOM 113 N PRO A 10 -6.620 2.934 -6.858 1.00 0.00 N ATOM 114 CA PRO A 10 -7.499 3.237 -7.988 1.00 0.00 C ATOM 115 C PRO A 10 -8.807 3.812 -7.485 1.00 0.00 C ATOM 116 O PRO A 10 -9.512 4.532 -8.194 1.00 0.00 O ATOM 117 CB PRO A 10 -7.727 1.870 -8.634 1.00 0.00 C ATOM 118 CG PRO A 10 -7.562 0.903 -7.515 1.00 0.00 C ATOM 119 CD PRO A 10 -6.489 1.479 -6.635 1.00 0.00 C ATOM 0 HA PRO A 10 -7.081 3.969 -8.679 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.720 1.800 -9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.008 1.682 -9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.495 0.778 -6.965 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.277 -0.081 -7.887 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.641 1.216 -5.588 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.500 1.116 -6.914 1.00 0.00 H new ATOM 127 N GLY A 11 -9.109 3.479 -6.239 1.00 0.00 N ATOM 128 CA GLY A 11 -10.311 3.946 -5.606 1.00 0.00 C ATOM 129 C GLY A 11 -10.564 3.260 -4.278 1.00 0.00 C ATOM 130 O GLY A 11 -11.698 3.250 -3.801 1.00 0.00 O ATOM 0 H GLY A 11 -8.527 2.882 -5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.242 5.022 -5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.159 3.774 -6.269 1.00 0.00 H new ATOM 134 N CYS A 12 -9.521 2.673 -3.670 1.00 0.00 N ATOM 135 CA CYS A 12 -9.712 1.996 -2.394 1.00 0.00 C ATOM 136 C CYS A 12 -10.286 2.973 -1.359 1.00 0.00 C ATOM 137 O CYS A 12 -11.473 3.298 -1.416 1.00 0.00 O ATOM 138 CB CYS A 12 -8.442 1.273 -1.856 1.00 0.00 C ATOM 139 SG CYS A 12 -6.820 1.805 -2.496 1.00 0.00 S ATOM 0 H CYS A 12 -8.568 2.656 -4.033 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.431 1.197 -2.575 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.427 1.386 -0.772 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.550 0.208 -2.064 1.00 0.00 H new ATOM 144 N TYR A 13 -9.481 3.421 -0.403 1.00 0.00 N ATOM 145 CA TYR A 13 -9.977 4.329 0.630 1.00 0.00 C ATOM 146 C TYR A 13 -9.277 5.689 0.565 1.00 0.00 C ATOM 147 O TYR A 13 -9.890 6.728 0.324 1.00 0.00 O ATOM 148 CB TYR A 13 -9.787 3.704 2.013 1.00 0.00 C ATOM 149 CG TYR A 13 -10.840 4.151 3.010 1.00 0.00 C ATOM 150 CD1 TYR A 13 -12.188 4.138 2.666 1.00 0.00 C ATOM 151 CD2 TYR A 13 -10.496 4.588 4.284 1.00 0.00 C ATOM 152 CE1 TYR A 13 -13.159 4.548 3.561 1.00 0.00 C ATOM 153 CE2 TYR A 13 -11.461 4.998 5.184 1.00 0.00 C ATOM 154 CZ TYR A 13 -12.790 4.976 4.817 1.00 0.00 C ATOM 155 OH TYR A 13 -13.754 5.383 5.711 1.00 0.00 O ATOM 0 H TYR A 13 -8.494 3.176 -0.319 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.040 4.492 0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.816 2.618 1.923 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -8.799 3.966 2.393 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.481 3.802 1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.456 4.607 4.575 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.201 4.533 3.277 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -11.176 5.334 6.170 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.328 5.653 6.551 1.00 0.00 H new ATOM 165 N ASN A 14 -7.991 5.636 0.831 1.00 0.00 N ATOM 166 CA ASN A 14 -7.095 6.788 0.884 1.00 0.00 C ATOM 167 C ASN A 14 -5.908 6.624 -0.080 1.00 0.00 C ATOM 168 O ASN A 14 -5.607 5.505 -0.466 1.00 0.00 O ATOM 169 CB ASN A 14 -6.530 7.012 2.261 1.00 0.00 C ATOM 170 CG ASN A 14 -6.518 5.799 3.175 1.00 0.00 C ATOM 171 OD1 ASN A 14 -7.663 5.173 3.369 1.00 0.00 O flip ATOM 172 ND2 ASN A 14 -5.482 5.463 3.745 1.00 0.00 N flip ATOM 0 H ASN A 14 -7.513 4.756 1.026 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.706 7.643 0.596 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.508 7.377 2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.104 7.802 2.745 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.615 5.971 3.569 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.489 4.676 4.393 1.00 0.00 H new ATOM 179 N ASN A 15 -5.216 7.704 -0.503 1.00 0.00 N ATOM 180 CA ASN A 15 -4.097 7.486 -1.412 1.00 0.00 C ATOM 181 C ASN A 15 -2.764 7.720 -0.654 1.00 0.00 C ATOM 182 O ASN A 15 -2.781 8.301 0.431 1.00 0.00 O ATOM 183 CB ASN A 15 -4.186 8.405 -2.642 1.00 0.00 C ATOM 184 CG ASN A 15 -5.614 8.820 -2.991 1.00 0.00 C ATOM 185 OD1 ASN A 15 -5.846 9.922 -3.482 1.00 0.00 O ATOM 186 ND2 ASN A 15 -6.578 7.940 -2.754 1.00 0.00 N ATOM 0 H ASN A 15 -5.403 8.673 -0.244 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.136 6.457 -1.770 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.590 9.300 -2.461 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.744 7.896 -3.499 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.546 8.170 -2.981 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.352 7.033 -2.345 1.00 0.00 H new ATOM 193 N SER A 16 -1.611 7.233 -1.180 1.00 0.00 N ATOM 194 CA SER A 16 -0.347 7.369 -0.494 1.00 0.00 C ATOM 195 C SER A 16 0.283 8.759 -0.731 1.00 0.00 C ATOM 196 O SER A 16 1.343 9.053 -0.180 1.00 0.00 O ATOM 197 CB SER A 16 0.618 6.206 -0.920 1.00 0.00 C ATOM 198 OG SER A 16 1.843 6.286 -0.222 1.00 0.00 O ATOM 0 H SER A 16 -1.554 6.748 -2.075 1.00 0.00 H new ATOM 0 HA SER A 16 -0.523 7.291 0.579 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.144 5.244 -0.722 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.802 6.256 -1.993 1.00 0.00 H new ATOM 0 HG SER A 16 2.059 7.226 -0.048 1.00 0.00 H new ATOM 204 N HIS A 17 -0.364 9.623 -1.547 1.00 0.00 N ATOM 205 CA HIS A 17 0.168 10.962 -1.818 1.00 0.00 C ATOM 206 C HIS A 17 -0.937 12.020 -1.799 1.00 0.00 C ATOM 207 O HIS A 17 -0.691 13.181 -1.472 1.00 0.00 O ATOM 208 CB HIS A 17 0.887 11.016 -3.183 1.00 0.00 C ATOM 209 CG HIS A 17 -0.041 11.018 -4.362 1.00 0.00 C ATOM 210 ND1 HIS A 17 -1.103 10.147 -4.491 1.00 0.00 N ATOM 211 CD2 HIS A 17 -0.062 11.798 -5.469 1.00 0.00 C ATOM 212 CE1 HIS A 17 -1.736 10.390 -5.625 1.00 0.00 C ATOM 213 NE2 HIS A 17 -1.123 11.386 -6.236 1.00 0.00 N ATOM 0 H HIS A 17 -1.243 9.413 -2.020 1.00 0.00 H new ATOM 0 HA HIS A 17 0.883 11.178 -1.024 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.507 11.912 -3.220 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.558 10.160 -3.263 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.627 12.595 -5.704 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -2.606 9.864 -5.989 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.394 11.786 -7.134 1.00 0.00 H new ATOM 222 N ARG A 18 -2.143 11.617 -2.184 1.00 0.00 N ATOM 223 CA ARG A 18 -3.273 12.531 -2.249 1.00 0.00 C ATOM 224 C ARG A 18 -4.167 12.426 -1.017 1.00 0.00 C ATOM 225 O ARG A 18 -5.394 12.403 -1.128 1.00 0.00 O ATOM 226 CB ARG A 18 -4.081 12.219 -3.499 1.00 0.00 C ATOM 227 CG ARG A 18 -4.825 13.406 -4.071 1.00 0.00 C ATOM 228 CD ARG A 18 -5.663 12.984 -5.264 1.00 0.00 C ATOM 229 NE ARG A 18 -5.308 13.723 -6.475 1.00 0.00 N ATOM 230 CZ ARG A 18 -5.599 13.310 -7.708 1.00 0.00 C ATOM 231 NH1 ARG A 18 -6.252 12.170 -7.898 1.00 0.00 N ATOM 232 NH2 ARG A 18 -5.238 14.041 -8.754 1.00 0.00 N ATOM 0 H ARG A 18 -2.362 10.659 -2.456 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.888 13.550 -2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.410 11.823 -4.262 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.799 11.432 -3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.466 13.844 -3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.115 14.177 -4.372 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.531 11.916 -5.440 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.718 13.142 -5.040 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.809 14.606 -6.370 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.534 11.604 -7.097 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.472 11.860 -8.845 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.738 14.919 -8.614 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.461 13.725 -9.698 1.00 0.00 H new ATOM 246 N ASP A 19 -3.552 12.373 0.155 1.00 0.00 N ATOM 247 CA ASP A 19 -4.296 12.284 1.403 1.00 0.00 C ATOM 248 C ASP A 19 -3.367 12.395 2.619 1.00 0.00 C ATOM 249 O ASP A 19 -3.429 13.371 3.364 1.00 0.00 O ATOM 250 CB ASP A 19 -5.142 10.991 1.416 1.00 0.00 C ATOM 251 CG ASP A 19 -4.901 10.095 2.614 1.00 0.00 C ATOM 252 OD1 ASP A 19 -5.293 10.480 3.729 1.00 0.00 O ATOM 253 OD2 ASP A 19 -4.317 9.009 2.431 1.00 0.00 O ATOM 0 H ASP A 19 -2.538 12.390 0.268 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.980 13.130 1.471 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.197 11.262 1.387 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -4.933 10.426 0.508 1.00 0.00 H new ATOM 258 N LYS A 20 -2.526 11.387 2.818 1.00 0.00 N ATOM 259 CA LYS A 20 -1.587 11.349 3.951 1.00 0.00 C ATOM 260 C LYS A 20 -2.303 11.600 5.290 1.00 0.00 C ATOM 261 O LYS A 20 -1.671 11.888 6.305 1.00 0.00 O ATOM 262 CB LYS A 20 -0.460 12.372 3.739 1.00 0.00 C ATOM 263 CG LYS A 20 -0.831 13.810 4.092 1.00 0.00 C ATOM 264 CD LYS A 20 0.254 14.480 4.924 1.00 0.00 C ATOM 265 CE LYS A 20 -0.270 14.917 6.283 1.00 0.00 C ATOM 266 NZ LYS A 20 -1.607 15.565 6.182 1.00 0.00 N ATOM 0 H LYS A 20 -2.470 10.573 2.206 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.155 10.349 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.400 12.075 4.339 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.147 12.337 2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.993 14.380 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.771 13.819 4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.087 13.790 5.060 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.642 15.346 4.388 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.335 14.051 6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.436 15.611 6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.685 16.313 6.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.721 15.980 5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.350 14.855 6.340 1.00 0.00 H new ATOM 280 N ALA A 21 -3.627 11.510 5.255 1.00 0.00 N ATOM 281 CA ALA A 21 -4.474 11.747 6.443 1.00 0.00 C ATOM 282 C ALA A 21 -5.274 10.510 6.954 1.00 0.00 C ATOM 283 O ALA A 21 -5.267 10.250 8.157 1.00 0.00 O ATOM 284 CB ALA A 21 -5.428 12.902 6.165 1.00 0.00 C ATOM 0 H ALA A 21 -4.152 11.273 4.413 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.781 11.987 7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.053 13.077 7.041 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.855 13.802 5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.060 12.655 5.312 1.00 0.00 H new ATOM 290 N LEU A 22 -5.989 9.777 6.072 1.00 0.00 N ATOM 291 CA LEU A 22 -6.800 8.621 6.463 1.00 0.00 C ATOM 292 C LEU A 22 -5.902 7.593 7.234 1.00 0.00 C ATOM 293 O LEU A 22 -4.915 8.017 7.833 1.00 0.00 O ATOM 294 CB LEU A 22 -7.506 8.077 5.174 1.00 0.00 C ATOM 295 CG LEU A 22 -7.944 9.125 4.116 1.00 0.00 C ATOM 296 CD1 LEU A 22 -9.314 8.791 3.537 1.00 0.00 C ATOM 297 CD2 LEU A 22 -7.973 10.521 4.671 1.00 0.00 C ATOM 0 H LEU A 22 -6.015 9.976 5.072 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.595 8.873 7.166 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.832 7.369 4.691 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.389 7.517 5.482 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.195 9.084 3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.591 9.544 2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.278 7.812 3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.054 8.778 4.337 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.285 11.216 3.892 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.677 10.568 5.502 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.978 10.794 5.023 1.00 0.00 H new ATOM 309 N HIS A 23 -6.201 6.272 7.282 1.00 0.00 N ATOM 310 CA HIS A 23 -5.360 5.360 8.046 1.00 0.00 C ATOM 311 C HIS A 23 -4.354 4.661 7.116 1.00 0.00 C ATOM 312 O HIS A 23 -4.676 4.400 5.957 1.00 0.00 O ATOM 313 CB HIS A 23 -6.240 4.301 8.718 1.00 0.00 C ATOM 314 CG HIS A 23 -6.019 4.177 10.193 1.00 0.00 C ATOM 315 ND1 HIS A 23 -5.709 5.251 11.002 1.00 0.00 N ATOM 316 CD2 HIS A 23 -6.069 3.097 11.008 1.00 0.00 C ATOM 317 CE1 HIS A 23 -5.575 4.836 12.250 1.00 0.00 C ATOM 318 NE2 HIS A 23 -5.791 3.534 12.279 1.00 0.00 N ATOM 0 H HIS A 23 -6.995 5.838 6.812 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.816 5.928 8.801 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.287 4.544 8.536 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.051 3.335 8.250 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.287 2.081 10.713 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.331 5.456 13.100 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.757 2.947 13.112 1.00 0.00 H new ATOM 327 N PHE A 24 -3.127 4.370 7.596 1.00 0.00 N ATOM 328 CA PHE A 24 -2.133 3.733 6.748 1.00 0.00 C ATOM 329 C PHE A 24 -1.514 2.473 7.420 1.00 0.00 C ATOM 330 O PHE A 24 -1.077 2.553 8.568 1.00 0.00 O ATOM 331 CB PHE A 24 -1.019 4.735 6.429 1.00 0.00 C ATOM 332 CG PHE A 24 -1.454 5.933 5.612 1.00 0.00 C ATOM 333 CD1 PHE A 24 -2.051 7.028 6.220 1.00 0.00 C ATOM 334 CD2 PHE A 24 -1.237 5.979 4.236 1.00 0.00 C ATOM 335 CE1 PHE A 24 -2.428 8.135 5.478 1.00 0.00 C ATOM 336 CE2 PHE A 24 -1.606 7.083 3.495 1.00 0.00 C ATOM 337 CZ PHE A 24 -2.204 8.163 4.111 1.00 0.00 C ATOM 0 H PHE A 24 -2.818 4.566 8.548 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.633 3.413 5.834 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.590 5.089 7.366 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.226 4.215 5.891 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.224 7.017 7.286 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.773 5.138 3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.897 8.977 5.965 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.426 7.102 2.430 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.496 9.026 3.531 1.00 0.00 H new ATOM 347 N TYR A 25 -1.428 1.326 6.708 1.00 0.00 N ATOM 348 CA TYR A 25 -0.815 0.117 7.256 1.00 0.00 C ATOM 349 C TYR A 25 0.701 0.186 7.010 1.00 0.00 C ATOM 350 O TYR A 25 1.132 0.920 6.126 1.00 0.00 O ATOM 351 CB TYR A 25 -1.401 -1.144 6.607 1.00 0.00 C ATOM 352 CG TYR A 25 -2.741 -1.553 7.176 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.727 -0.608 7.419 1.00 0.00 C ATOM 354 CD2 TYR A 25 -3.022 -2.884 7.466 1.00 0.00 C ATOM 355 CE1 TYR A 25 -4.954 -0.973 7.939 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.247 -3.257 7.986 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.210 -2.298 8.220 1.00 0.00 C ATOM 358 OH TYR A 25 -6.431 -2.665 8.738 1.00 0.00 O ATOM 0 H TYR A 25 -1.778 1.223 5.755 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.021 0.061 8.325 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.507 -0.975 5.536 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.697 -1.967 6.731 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.532 0.431 7.198 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.271 -3.638 7.282 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.709 -0.223 8.124 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.449 -4.294 8.208 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.449 -3.635 8.878 1.00 0.00 H new ATOM 368 N THR A 26 1.526 -0.528 7.792 1.00 0.00 N ATOM 369 CA THR A 26 2.976 -0.440 7.607 1.00 0.00 C ATOM 370 C THR A 26 3.529 -1.684 6.891 1.00 0.00 C ATOM 371 O THR A 26 2.791 -2.634 6.629 1.00 0.00 O ATOM 372 CB THR A 26 3.658 -0.243 8.971 1.00 0.00 C ATOM 373 OG1 THR A 26 2.698 -0.242 10.014 1.00 0.00 O ATOM 374 CG2 THR A 26 4.437 1.050 9.076 1.00 0.00 C ATOM 0 H THR A 26 1.222 -1.155 8.537 1.00 0.00 H new ATOM 0 HA THR A 26 3.193 0.419 6.972 1.00 0.00 H new ATOM 0 HB THR A 26 4.353 -1.077 9.065 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.150 -0.117 10.875 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.891 1.122 10.064 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.218 1.067 8.316 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.764 1.894 8.924 1.00 0.00 H new ATOM 382 N PHE A 27 4.814 -1.638 6.502 1.00 0.00 N ATOM 383 CA PHE A 27 5.433 -2.713 5.736 1.00 0.00 C ATOM 384 C PHE A 27 5.977 -3.890 6.577 1.00 0.00 C ATOM 385 O PHE A 27 6.711 -3.662 7.539 1.00 0.00 O ATOM 386 CB PHE A 27 6.591 -2.120 4.948 1.00 0.00 C ATOM 387 CG PHE A 27 6.490 -2.208 3.450 1.00 0.00 C ATOM 388 CD1 PHE A 27 5.287 -2.472 2.817 1.00 0.00 C ATOM 389 CD2 PHE A 27 7.619 -2.018 2.669 1.00 0.00 C ATOM 390 CE1 PHE A 27 5.219 -2.549 1.444 1.00 0.00 C ATOM 391 CE2 PHE A 27 7.552 -2.096 1.297 1.00 0.00 C ATOM 392 CZ PHE A 27 6.347 -2.364 0.682 1.00 0.00 C ATOM 0 H PHE A 27 5.440 -0.860 6.711 1.00 0.00 H new ATOM 0 HA PHE A 27 4.647 -3.130 5.107 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.691 -1.070 5.223 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.508 -2.620 5.259 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.394 -2.619 3.406 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.565 -1.806 3.144 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.274 -2.756 0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.441 -1.948 0.703 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.290 -2.428 -0.395 1.00 0.00 H new ATOM 402 N PRO A 28 5.636 -5.173 6.237 1.00 0.00 N ATOM 403 CA PRO A 28 6.125 -6.351 6.986 1.00 0.00 C ATOM 404 C PRO A 28 7.620 -6.238 7.344 1.00 0.00 C ATOM 405 O PRO A 28 8.293 -5.305 6.905 1.00 0.00 O ATOM 406 CB PRO A 28 5.925 -7.470 5.946 1.00 0.00 C ATOM 407 CG PRO A 28 4.658 -7.089 5.284 1.00 0.00 C ATOM 408 CD PRO A 28 4.700 -5.588 5.154 1.00 0.00 C ATOM 0 HA PRO A 28 5.614 -6.495 7.938 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.752 -7.515 5.238 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.855 -8.450 6.417 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.569 -7.564 4.307 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.798 -7.407 5.873 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.060 -5.280 4.172 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.712 -5.146 5.285 1.00 0.00 H new ATOM 416 N LYS A 29 8.142 -7.178 8.148 1.00 0.00 N ATOM 417 CA LYS A 29 9.551 -7.135 8.553 1.00 0.00 C ATOM 418 C LYS A 29 10.443 -7.851 7.544 1.00 0.00 C ATOM 419 O LYS A 29 11.652 -7.621 7.496 1.00 0.00 O ATOM 420 CB LYS A 29 9.751 -7.751 9.948 1.00 0.00 C ATOM 421 CG LYS A 29 8.519 -8.439 10.521 1.00 0.00 C ATOM 422 CD LYS A 29 8.819 -9.085 11.865 1.00 0.00 C ATOM 423 CE LYS A 29 9.729 -10.293 11.712 1.00 0.00 C ATOM 424 NZ LYS A 29 9.237 -11.233 10.667 1.00 0.00 N ATOM 0 H LYS A 29 7.616 -7.966 8.525 1.00 0.00 H new ATOM 0 HA LYS A 29 9.838 -6.084 8.589 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.564 -8.475 9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.065 -6.966 10.636 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.715 -7.712 10.636 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.166 -9.197 9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.289 -8.355 12.524 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.886 -9.389 12.340 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.734 -9.959 11.455 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.801 -10.816 12.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.674 -12.166 10.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.203 -11.321 10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.490 -10.869 9.726 1.00 0.00 H new ATOM 438 N ASP A 30 9.841 -8.712 6.739 1.00 0.00 N ATOM 439 CA ASP A 30 10.581 -9.458 5.727 1.00 0.00 C ATOM 440 C ASP A 30 10.764 -8.585 4.481 1.00 0.00 C ATOM 441 O ASP A 30 9.783 -8.217 3.836 1.00 0.00 O ATOM 442 CB ASP A 30 9.824 -10.750 5.355 1.00 0.00 C ATOM 443 CG ASP A 30 8.578 -10.986 6.193 1.00 0.00 C ATOM 444 OD1 ASP A 30 7.494 -10.513 5.794 1.00 0.00 O ATOM 445 OD2 ASP A 30 8.690 -11.646 7.248 1.00 0.00 O ATOM 0 H ASP A 30 8.841 -8.913 6.765 1.00 0.00 H new ATOM 0 HA ASP A 30 11.558 -9.729 6.128 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.542 -10.706 4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.496 -11.601 5.469 1.00 0.00 H new ATOM 450 N ALA A 31 12.014 -8.229 4.157 1.00 0.00 N ATOM 451 CA ALA A 31 12.284 -7.378 3.010 1.00 0.00 C ATOM 452 C ALA A 31 11.460 -7.777 1.747 1.00 0.00 C ATOM 453 O ALA A 31 10.587 -7.032 1.328 1.00 0.00 O ATOM 454 CB ALA A 31 13.797 -7.319 2.754 1.00 0.00 C ATOM 0 H ALA A 31 12.844 -8.519 4.674 1.00 0.00 H new ATOM 0 HA ALA A 31 11.943 -6.370 3.245 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.996 -6.680 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.299 -6.912 3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.172 -8.323 2.555 1.00 0.00 H new ATOM 460 N GLU A 32 11.702 -8.940 1.135 1.00 0.00 N ATOM 461 CA GLU A 32 10.945 -9.325 -0.075 1.00 0.00 C ATOM 462 C GLU A 32 9.456 -9.166 0.066 1.00 0.00 C ATOM 463 O GLU A 32 8.895 -8.346 -0.661 1.00 0.00 O ATOM 464 CB GLU A 32 11.326 -10.742 -0.531 1.00 0.00 C ATOM 465 CG GLU A 32 10.412 -11.338 -1.594 1.00 0.00 C ATOM 466 CD GLU A 32 9.131 -11.906 -1.014 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.150 -12.338 0.157 1.00 0.00 O ATOM 468 OE2 GLU A 32 8.109 -11.919 -1.733 1.00 0.00 O ATOM 0 H GLU A 32 12.397 -9.621 1.442 1.00 0.00 H new ATOM 0 HA GLU A 32 11.236 -8.621 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.345 -10.723 -0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.327 -11.400 0.338 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.165 -10.570 -2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.946 -12.126 -2.126 1.00 0.00 H new ATOM 475 N LEU A 33 8.780 -9.892 0.958 1.00 0.00 N ATOM 476 CA LEU A 33 7.354 -9.692 1.053 1.00 0.00 C ATOM 477 C LEU A 33 7.043 -8.208 0.849 1.00 0.00 C ATOM 478 O LEU A 33 6.107 -7.822 0.150 1.00 0.00 O ATOM 479 CB LEU A 33 6.834 -10.150 2.428 1.00 0.00 C ATOM 480 CG LEU A 33 5.339 -10.466 2.509 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.650 -10.298 1.166 1.00 0.00 C ATOM 482 CD2 LEU A 33 5.126 -11.871 3.008 1.00 0.00 C ATOM 0 H LEU A 33 9.180 -10.586 1.590 1.00 0.00 H new ATOM 0 HA LEU A 33 6.858 -10.284 0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.390 -11.039 2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.061 -9.372 3.157 1.00 0.00 H new ATOM 0 HG LEU A 33 4.898 -9.755 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.590 -10.532 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.763 -9.269 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.102 -10.972 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.058 -12.081 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.601 -12.576 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.565 -11.975 4.000 1.00 0.00 H new ATOM 494 N ARG A 34 7.908 -7.389 1.420 1.00 0.00 N ATOM 495 CA ARG A 34 7.785 -5.934 1.331 1.00 0.00 C ATOM 496 C ARG A 34 7.798 -5.480 -0.094 1.00 0.00 C ATOM 497 O ARG A 34 6.833 -4.869 -0.570 1.00 0.00 O ATOM 498 CB ARG A 34 8.863 -5.199 2.187 1.00 0.00 C ATOM 499 CG ARG A 34 10.164 -4.804 1.479 1.00 0.00 C ATOM 500 CD ARG A 34 10.351 -3.300 1.409 1.00 0.00 C ATOM 501 NE ARG A 34 11.759 -2.919 1.513 1.00 0.00 N ATOM 502 CZ ARG A 34 12.175 -1.700 1.847 1.00 0.00 C ATOM 503 NH1 ARG A 34 11.297 -0.738 2.108 1.00 0.00 N ATOM 504 NH2 ARG A 34 13.474 -1.440 1.920 1.00 0.00 N ATOM 0 H ARG A 34 8.715 -7.706 1.958 1.00 0.00 H new ATOM 0 HA ARG A 34 6.818 -5.662 1.755 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.412 -4.295 2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.118 -5.838 3.032 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.010 -5.248 2.004 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.164 -5.215 0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.943 -2.927 0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.787 -2.826 2.212 1.00 0.00 H new ATOM 0 HE ARG A 34 12.464 -3.630 1.318 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.297 -0.932 2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.623 0.194 2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.153 -2.174 1.720 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.794 -0.506 2.176 1.00 0.00 H new ATOM 518 N ARG A 35 8.856 -5.811 -0.793 1.00 0.00 N ATOM 519 CA ARG A 35 8.949 -5.427 -2.168 1.00 0.00 C ATOM 520 C ARG A 35 7.735 -5.923 -2.902 1.00 0.00 C ATOM 521 O ARG A 35 7.208 -5.221 -3.763 1.00 0.00 O ATOM 522 CB ARG A 35 10.275 -5.883 -2.819 1.00 0.00 C ATOM 523 CG ARG A 35 10.375 -7.355 -3.217 1.00 0.00 C ATOM 524 CD ARG A 35 9.467 -7.700 -4.389 1.00 0.00 C ATOM 525 NE ARG A 35 10.191 -8.380 -5.460 1.00 0.00 N ATOM 526 CZ ARG A 35 9.644 -8.722 -6.623 1.00 0.00 C ATOM 527 NH1 ARG A 35 8.368 -8.451 -6.870 1.00 0.00 N ATOM 528 NH2 ARG A 35 10.375 -9.338 -7.543 1.00 0.00 N ATOM 0 H ARG A 35 9.652 -6.338 -0.433 1.00 0.00 H new ATOM 0 HA ARG A 35 8.967 -4.339 -2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.442 -5.278 -3.710 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.087 -5.662 -2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.407 -7.589 -3.479 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.114 -7.979 -2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.652 -8.335 -4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.016 -6.788 -4.779 1.00 0.00 H new ATOM 0 HE ARG A 35 11.174 -8.606 -5.307 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.802 -7.978 -6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.954 -8.716 -7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.356 -9.549 -7.358 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.956 -9.601 -8.435 1.00 0.00 H new ATOM 542 N LEU A 36 7.209 -7.087 -2.511 1.00 0.00 N ATOM 543 CA LEU A 36 6.003 -7.558 -3.197 1.00 0.00 C ATOM 544 C LEU A 36 4.916 -6.530 -3.079 1.00 0.00 C ATOM 545 O LEU A 36 4.317 -6.121 -4.080 1.00 0.00 O ATOM 546 CB LEU A 36 5.526 -8.920 -2.680 1.00 0.00 C ATOM 547 CG LEU A 36 6.241 -10.128 -3.284 1.00 0.00 C ATOM 548 CD1 LEU A 36 5.629 -11.421 -2.770 1.00 0.00 C ATOM 549 CD2 LEU A 36 6.183 -10.074 -4.804 1.00 0.00 C ATOM 0 H LEU A 36 7.570 -7.688 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 36 6.255 -7.698 -4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.653 -8.946 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.458 -9.013 -2.878 1.00 0.00 H new ATOM 0 HG LEU A 36 7.287 -10.100 -2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.151 -12.271 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.722 -11.461 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.575 -11.460 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.697 -10.941 -5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.143 -10.079 -5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.668 -9.163 -5.154 1.00 0.00 H new ATOM 561 N TRP A 37 4.697 -6.054 -1.875 1.00 0.00 N ATOM 562 CA TRP A 37 3.698 -5.053 -1.680 1.00 0.00 C ATOM 563 C TRP A 37 4.016 -3.841 -2.518 1.00 0.00 C ATOM 564 O TRP A 37 3.111 -3.300 -3.177 1.00 0.00 O ATOM 565 CB TRP A 37 3.612 -4.683 -0.211 1.00 0.00 C ATOM 566 CG TRP A 37 2.795 -5.660 0.544 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.680 -6.987 0.276 1.00 0.00 C ATOM 568 CD2 TRP A 37 1.946 -5.385 1.648 1.00 0.00 C ATOM 569 NE1 TRP A 37 1.823 -7.574 1.187 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.342 -6.596 2.029 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.645 -4.226 2.355 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.439 -6.663 3.092 1.00 0.00 C ATOM 573 CZ3 TRP A 37 0.757 -4.294 3.392 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.157 -5.495 3.754 1.00 0.00 C ATOM 0 H TRP A 37 5.194 -6.344 -1.033 1.00 0.00 H new ATOM 0 HA TRP A 37 2.730 -5.446 -1.992 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.615 -4.639 0.214 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.179 -3.688 -0.109 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.183 -7.505 -0.528 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.586 -8.565 1.229 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.106 -3.286 2.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.019 -7.597 3.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.516 -3.396 3.942 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.546 -5.509 4.574 1.00 0.00 H new ATOM 585 N LEU A 38 5.317 -3.449 -2.559 1.00 0.00 N ATOM 586 CA LEU A 38 5.708 -2.313 -3.359 1.00 0.00 C ATOM 587 C LEU A 38 4.861 -2.333 -4.632 1.00 0.00 C ATOM 588 O LEU A 38 4.156 -1.366 -4.948 1.00 0.00 O ATOM 589 CB LEU A 38 7.213 -2.362 -3.676 1.00 0.00 C ATOM 590 CG LEU A 38 8.114 -2.100 -2.471 1.00 0.00 C ATOM 591 CD1 LEU A 38 9.574 -2.060 -2.893 1.00 0.00 C ATOM 592 CD2 LEU A 38 7.720 -0.802 -1.784 1.00 0.00 C ATOM 0 H LEU A 38 6.077 -3.904 -2.053 1.00 0.00 H new ATOM 0 HA LEU A 38 5.537 -1.383 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.454 -3.341 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.435 -1.626 -4.449 1.00 0.00 H new ATOM 0 HG LEU A 38 7.986 -2.918 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.200 -1.872 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.850 -3.016 -3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.720 -1.263 -3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.372 -0.631 -0.928 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.819 0.026 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.686 -0.869 -1.445 1.00 0.00 H new ATOM 604 N LYS A 39 4.851 -3.489 -5.325 1.00 0.00 N ATOM 605 CA LYS A 39 4.085 -3.638 -6.526 1.00 0.00 C ATOM 606 C LYS A 39 2.633 -3.156 -6.393 1.00 0.00 C ATOM 607 O LYS A 39 2.222 -2.188 -7.053 1.00 0.00 O ATOM 608 CB LYS A 39 4.167 -5.121 -6.952 1.00 0.00 C ATOM 609 CG LYS A 39 5.238 -5.440 -7.992 1.00 0.00 C ATOM 610 CD LYS A 39 6.421 -4.478 -7.941 1.00 0.00 C ATOM 611 CE LYS A 39 6.381 -3.483 -9.092 1.00 0.00 C ATOM 612 NZ LYS A 39 6.211 -4.159 -10.407 1.00 0.00 N ATOM 0 H LYS A 39 5.374 -4.321 -5.053 1.00 0.00 H new ATOM 0 HA LYS A 39 4.509 -2.995 -7.297 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.352 -5.727 -6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.197 -5.423 -7.348 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.597 -6.457 -7.836 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.793 -5.408 -8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.413 -3.940 -6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.352 -5.043 -7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.562 -2.781 -8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.302 -2.901 -9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.688 -3.605 -11.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.628 -5.111 -10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.198 -4.235 -10.630 1.00 0.00 H new ATOM 626 N ASN A 40 1.865 -3.820 -5.547 1.00 0.00 N ATOM 627 CA ASN A 40 0.451 -3.496 -5.384 1.00 0.00 C ATOM 628 C ASN A 40 0.201 -2.095 -4.891 1.00 0.00 C ATOM 629 O ASN A 40 -0.869 -1.529 -5.112 1.00 0.00 O ATOM 630 CB ASN A 40 -0.248 -4.468 -4.419 1.00 0.00 C ATOM 631 CG ASN A 40 0.667 -5.322 -3.577 1.00 0.00 C ATOM 632 OD1 ASN A 40 1.751 -5.725 -3.999 1.00 0.00 O ATOM 633 ND2 ASN A 40 0.208 -5.611 -2.371 1.00 0.00 N ATOM 0 H ASN A 40 2.193 -4.587 -4.961 1.00 0.00 H new ATOM 0 HA ASN A 40 0.037 -3.587 -6.388 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.891 -3.892 -3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.896 -5.125 -4.999 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.760 -6.194 -1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.698 -5.251 -2.070 1.00 0.00 H new ATOM 640 N VAL A 41 1.150 -1.568 -4.175 1.00 0.00 N ATOM 641 CA VAL A 41 0.990 -0.262 -3.591 1.00 0.00 C ATOM 642 C VAL A 41 1.236 0.913 -4.527 1.00 0.00 C ATOM 643 O VAL A 41 0.737 1.996 -4.248 1.00 0.00 O ATOM 644 CB VAL A 41 1.795 -0.088 -2.300 1.00 0.00 C ATOM 645 CG1 VAL A 41 2.932 0.870 -2.528 1.00 0.00 C ATOM 646 CG2 VAL A 41 0.881 0.412 -1.194 1.00 0.00 C ATOM 0 H VAL A 41 2.044 -2.019 -3.979 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.074 -0.233 -3.355 1.00 0.00 H new ATOM 0 HB VAL A 41 2.213 -1.049 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.499 0.988 -1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.586 0.480 -3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.536 1.838 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.455 0.535 -0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.450 1.370 -1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.082 -0.310 -1.028 1.00 0.00 H new ATOM 656 N SER A 42 2.014 0.746 -5.604 1.00 0.00 N ATOM 657 CA SER A 42 2.297 1.890 -6.496 1.00 0.00 C ATOM 658 C SER A 42 3.673 1.713 -7.194 1.00 0.00 C ATOM 659 O SER A 42 3.741 0.971 -8.171 1.00 0.00 O ATOM 660 CB SER A 42 2.162 3.268 -5.744 1.00 0.00 C ATOM 661 OG SER A 42 3.153 4.186 -6.176 1.00 0.00 O ATOM 0 H SER A 42 2.448 -0.136 -5.877 1.00 0.00 H new ATOM 0 HA SER A 42 1.540 1.907 -7.281 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.172 3.687 -5.922 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.253 3.110 -4.669 1.00 0.00 H new ATOM 0 HG SER A 42 2.864 4.610 -7.011 1.00 0.00 H new ATOM 667 N ARG A 43 4.783 2.355 -6.727 1.00 0.00 N ATOM 668 CA ARG A 43 6.084 2.181 -7.383 1.00 0.00 C ATOM 669 C ARG A 43 6.090 2.757 -8.807 1.00 0.00 C ATOM 670 O ARG A 43 6.935 3.592 -9.137 1.00 0.00 O ATOM 671 CB ARG A 43 6.486 0.701 -7.400 1.00 0.00 C ATOM 672 CG ARG A 43 7.898 0.459 -6.922 1.00 0.00 C ATOM 673 CD ARG A 43 8.912 1.200 -7.781 1.00 0.00 C ATOM 674 NE ARG A 43 10.013 1.748 -6.992 1.00 0.00 N ATOM 675 CZ ARG A 43 11.038 1.026 -6.545 1.00 0.00 C ATOM 676 NH1 ARG A 43 11.093 -0.279 -6.781 1.00 0.00 N ATOM 677 NH2 ARG A 43 12.011 1.611 -5.861 1.00 0.00 N ATOM 0 H ARG A 43 4.791 2.978 -5.920 1.00 0.00 H new ATOM 0 HA ARG A 43 6.818 2.739 -6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.796 0.137 -6.772 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.382 0.315 -8.414 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.993 0.782 -5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.113 -0.609 -6.944 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.311 0.521 -8.535 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.412 2.009 -8.313 1.00 0.00 H new ATOM 0 HE ARG A 43 9.995 2.743 -6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.347 -0.734 -7.308 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.881 -0.827 -6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.974 2.614 -5.678 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.797 1.058 -5.518 1.00 0.00 H new ATOM 691 N ALA A 44 5.156 2.314 -9.644 1.00 0.00 N ATOM 692 CA ALA A 44 5.065 2.790 -11.022 1.00 0.00 C ATOM 693 C ALA A 44 4.497 4.225 -11.086 1.00 0.00 C ATOM 694 O ALA A 44 3.353 4.404 -11.503 1.00 0.00 O ATOM 695 CB ALA A 44 4.179 1.834 -11.828 1.00 0.00 C ATOM 0 H ALA A 44 4.449 1.624 -9.391 1.00 0.00 H new ATOM 0 HA ALA A 44 6.068 2.813 -11.449 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.108 2.185 -12.858 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.615 0.835 -11.814 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.183 1.801 -11.386 1.00 0.00 H new ATOM 701 N GLY A 45 5.269 5.260 -10.670 1.00 0.00 N ATOM 702 CA GLY A 45 4.748 6.617 -10.713 1.00 0.00 C ATOM 703 C GLY A 45 4.635 7.189 -12.118 1.00 0.00 C ATOM 704 O GLY A 45 4.807 8.391 -12.312 1.00 0.00 O ATOM 0 H GLY A 45 6.221 5.171 -10.315 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.764 6.633 -10.244 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.394 7.263 -10.119 1.00 0.00 H new ATOM 708 N VAL A 46 4.334 6.334 -13.094 1.00 0.00 N ATOM 709 CA VAL A 46 4.184 6.763 -14.485 1.00 0.00 C ATOM 710 C VAL A 46 5.263 7.776 -14.889 1.00 0.00 C ATOM 711 O VAL A 46 4.952 8.862 -15.378 1.00 0.00 O ATOM 712 CB VAL A 46 2.783 7.375 -14.727 1.00 0.00 C ATOM 713 CG1 VAL A 46 2.538 8.566 -13.811 1.00 0.00 C ATOM 714 CG2 VAL A 46 2.612 7.770 -16.187 1.00 0.00 C ATOM 0 H VAL A 46 4.188 5.335 -12.947 1.00 0.00 H new ATOM 0 HA VAL A 46 4.300 5.874 -15.104 1.00 0.00 H new ATOM 0 HB VAL A 46 2.039 6.614 -14.490 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.546 8.975 -14.004 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.602 8.245 -12.771 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.290 9.332 -14.001 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.620 8.198 -16.334 1.00 0.00 H new ATOM 0 HG22 VAL A 46 3.369 8.507 -16.456 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.724 6.888 -16.818 1.00 0.00 H new ATOM 724 N SER A 47 6.533 7.420 -14.685 1.00 0.00 N ATOM 725 CA SER A 47 7.630 8.315 -15.036 1.00 0.00 C ATOM 726 C SER A 47 8.933 7.519 -15.287 1.00 0.00 C ATOM 727 O SER A 47 9.498 7.619 -16.377 1.00 0.00 O ATOM 728 CB SER A 47 7.851 9.337 -13.921 1.00 0.00 C ATOM 729 OG SER A 47 8.672 8.806 -12.895 1.00 0.00 O ATOM 0 H SER A 47 6.822 6.528 -14.283 1.00 0.00 H new ATOM 0 HA SER A 47 7.363 8.837 -15.955 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.313 10.234 -14.333 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.890 9.637 -13.503 1.00 0.00 H new ATOM 0 HG SER A 47 8.443 9.229 -12.041 1.00 0.00 H new ATOM 735 N GLY A 48 9.428 6.725 -14.294 1.00 0.00 N ATOM 736 CA GLY A 48 10.652 5.979 -14.521 1.00 0.00 C ATOM 737 C GLY A 48 11.890 6.832 -14.322 1.00 0.00 C ATOM 738 O GLY A 48 12.667 6.602 -13.395 1.00 0.00 O ATOM 0 H GLY A 48 9.004 6.602 -13.375 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.687 5.127 -13.842 1.00 0.00 H new ATOM 0 HA3 GLY A 48 10.648 5.578 -15.535 1.00 0.00 H new ATOM 742 N CYS A 49 12.069 7.822 -15.190 1.00 0.00 N ATOM 743 CA CYS A 49 13.217 8.716 -15.100 1.00 0.00 C ATOM 744 C CYS A 49 13.216 9.459 -13.767 1.00 0.00 C ATOM 745 O CYS A 49 14.270 9.822 -13.246 1.00 0.00 O ATOM 746 CB CYS A 49 13.201 9.717 -16.259 1.00 0.00 C ATOM 747 SG CYS A 49 14.394 9.352 -17.567 1.00 0.00 S ATOM 0 H CYS A 49 11.435 8.025 -15.963 1.00 0.00 H new ATOM 0 HA CYS A 49 14.125 8.116 -15.163 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.200 9.740 -16.691 1.00 0.00 H new ATOM 0 HB3 CYS A 49 13.402 10.714 -15.867 1.00 0.00 H new ATOM 0 HG CYS A 49 14.303 10.252 -18.501 1.00 0.00 H new ATOM 753 N PHE A 50 12.024 9.681 -13.223 1.00 0.00 N ATOM 754 CA PHE A 50 11.879 10.377 -11.951 1.00 0.00 C ATOM 755 C PHE A 50 11.953 9.388 -10.774 1.00 0.00 C ATOM 756 O PHE A 50 12.822 9.526 -9.912 1.00 0.00 O ATOM 757 CB PHE A 50 10.551 11.136 -11.913 1.00 0.00 C ATOM 758 CG PHE A 50 10.687 12.600 -12.221 1.00 0.00 C ATOM 759 CD1 PHE A 50 11.465 13.027 -13.286 1.00 0.00 C ATOM 760 CD2 PHE A 50 10.038 13.547 -11.448 1.00 0.00 C ATOM 761 CE1 PHE A 50 11.593 14.373 -13.574 1.00 0.00 C ATOM 762 CE2 PHE A 50 10.163 14.895 -11.730 1.00 0.00 C ATOM 763 CZ PHE A 50 10.941 15.309 -12.793 1.00 0.00 C ATOM 0 H PHE A 50 11.143 9.388 -13.645 1.00 0.00 H new ATOM 0 HA PHE A 50 12.700 11.088 -11.856 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.864 10.685 -12.629 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.104 11.021 -10.925 1.00 0.00 H new ATOM 0 HD1 PHE A 50 11.977 12.299 -13.898 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.427 13.230 -10.616 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.201 14.693 -14.407 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.652 15.624 -11.119 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.040 16.362 -13.014 1.00 0.00 H new ATOM 773 N SER A 51 11.045 8.388 -10.723 1.00 0.00 N ATOM 774 CA SER A 51 11.063 7.421 -9.631 1.00 0.00 C ATOM 775 C SER A 51 10.892 8.124 -8.286 1.00 0.00 C ATOM 776 O SER A 51 11.659 7.897 -7.350 1.00 0.00 O ATOM 777 CB SER A 51 12.374 6.631 -9.645 1.00 0.00 C ATOM 778 OG SER A 51 12.596 6.034 -10.911 1.00 0.00 O ATOM 0 H SER A 51 10.310 8.240 -11.415 1.00 0.00 H new ATOM 0 HA SER A 51 10.231 6.731 -9.771 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.204 7.294 -9.401 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.346 5.860 -8.876 1.00 0.00 H new ATOM 0 HG SER A 51 12.649 6.732 -11.597 1.00 0.00 H new ATOM 784 N THR A 52 9.886 8.989 -8.202 1.00 0.00 N ATOM 785 CA THR A 52 9.618 9.738 -6.978 1.00 0.00 C ATOM 786 C THR A 52 9.016 8.822 -5.900 1.00 0.00 C ATOM 787 O THR A 52 8.797 7.636 -6.143 1.00 0.00 O ATOM 788 CB THR A 52 8.676 10.916 -7.275 1.00 0.00 C ATOM 789 OG1 THR A 52 7.322 10.515 -7.169 1.00 0.00 O ATOM 790 CG2 THR A 52 8.867 11.518 -8.660 1.00 0.00 C ATOM 0 H THR A 52 9.242 9.189 -8.967 1.00 0.00 H new ATOM 0 HA THR A 52 10.561 10.132 -6.598 1.00 0.00 H new ATOM 0 HB THR A 52 8.928 11.673 -6.532 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.739 11.279 -7.360 1.00 0.00 H new ATOM 0 HG21 THR A 52 8.168 12.343 -8.797 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.888 11.886 -8.759 1.00 0.00 H new ATOM 0 HG23 THR A 52 8.681 10.756 -9.417 1.00 0.00 H new ATOM 798 N PHE A 53 8.756 9.374 -4.705 1.00 0.00 N ATOM 799 CA PHE A 53 8.188 8.608 -3.599 1.00 0.00 C ATOM 800 C PHE A 53 8.930 7.287 -3.373 1.00 0.00 C ATOM 801 O PHE A 53 8.347 6.323 -2.882 1.00 0.00 O ATOM 802 CB PHE A 53 6.692 8.337 -3.823 1.00 0.00 C ATOM 803 CG PHE A 53 6.391 7.383 -4.946 1.00 0.00 C ATOM 804 CD1 PHE A 53 6.432 6.014 -4.737 1.00 0.00 C ATOM 805 CD2 PHE A 53 6.061 7.853 -6.205 1.00 0.00 C ATOM 806 CE1 PHE A 53 6.150 5.134 -5.758 1.00 0.00 C ATOM 807 CE2 PHE A 53 5.774 6.975 -7.233 1.00 0.00 C ATOM 808 CZ PHE A 53 5.822 5.612 -7.009 1.00 0.00 C ATOM 0 H PHE A 53 8.933 10.354 -4.485 1.00 0.00 H new ATOM 0 HA PHE A 53 8.307 9.218 -2.703 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.266 7.939 -2.902 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.190 9.284 -4.023 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.689 5.632 -3.760 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.027 8.917 -6.386 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.186 4.070 -5.579 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.513 7.353 -8.210 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.603 4.923 -7.812 1.00 0.00 H new ATOM 818 N GLN A 54 10.218 7.253 -3.717 1.00 0.00 N ATOM 819 CA GLN A 54 11.040 6.047 -3.544 1.00 0.00 C ATOM 820 C GLN A 54 10.618 5.255 -2.297 1.00 0.00 C ATOM 821 O GLN A 54 10.376 5.841 -1.242 1.00 0.00 O ATOM 822 CB GLN A 54 12.519 6.430 -3.444 1.00 0.00 C ATOM 823 CG GLN A 54 13.350 5.958 -4.628 1.00 0.00 C ATOM 824 CD GLN A 54 14.806 5.737 -4.266 1.00 0.00 C ATOM 825 OE1 GLN A 54 15.378 4.687 -4.563 1.00 0.00 O ATOM 826 NE2 GLN A 54 15.413 6.726 -3.622 1.00 0.00 N ATOM 0 H GLN A 54 10.718 8.046 -4.118 1.00 0.00 H new ATOM 0 HA GLN A 54 10.888 5.410 -4.415 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.601 7.514 -3.362 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.934 6.009 -2.528 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.930 5.029 -5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.286 6.695 -5.429 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.900 7.578 -3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.392 6.634 -3.353 1.00 0.00 H new ATOM 835 N PRO A 55 10.520 3.914 -2.399 1.00 0.00 N ATOM 836 CA PRO A 55 10.121 3.072 -1.271 1.00 0.00 C ATOM 837 C PRO A 55 11.177 3.025 -0.175 1.00 0.00 C ATOM 838 O PRO A 55 10.906 2.572 0.936 1.00 0.00 O ATOM 839 CB PRO A 55 9.923 1.677 -1.875 1.00 0.00 C ATOM 840 CG PRO A 55 10.030 1.844 -3.357 1.00 0.00 C ATOM 841 CD PRO A 55 10.784 3.121 -3.607 1.00 0.00 C ATOM 0 HA PRO A 55 9.223 3.464 -0.793 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.678 0.983 -1.506 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.951 1.268 -1.599 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.550 0.996 -3.803 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.040 1.886 -3.812 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.850 2.938 -3.743 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.430 3.627 -4.505 1.00 0.00 H new ATOM 849 N THR A 56 12.379 3.505 -0.485 1.00 0.00 N ATOM 850 CA THR A 56 13.464 3.526 0.489 1.00 0.00 C ATOM 851 C THR A 56 12.959 4.088 1.828 1.00 0.00 C ATOM 852 O THR A 56 13.257 3.532 2.883 1.00 0.00 O ATOM 853 CB THR A 56 14.622 4.381 -0.032 1.00 0.00 C ATOM 854 OG1 THR A 56 15.713 4.351 0.870 1.00 0.00 O ATOM 855 CG2 THR A 56 14.247 5.831 -0.248 1.00 0.00 C ATOM 0 H THR A 56 12.624 3.883 -1.400 1.00 0.00 H new ATOM 0 HA THR A 56 13.818 2.507 0.643 1.00 0.00 H new ATOM 0 HB THR A 56 14.891 3.945 -0.994 1.00 0.00 H new ATOM 0 HG1 THR A 56 16.443 4.902 0.519 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.113 6.380 -0.617 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.440 5.893 -0.978 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.917 6.266 0.696 1.00 0.00 H new ATOM 863 N THR A 57 12.180 5.195 1.787 1.00 0.00 N ATOM 864 CA THR A 57 11.651 5.787 3.007 1.00 0.00 C ATOM 865 C THR A 57 10.740 4.806 3.744 1.00 0.00 C ATOM 866 O THR A 57 10.583 4.892 4.962 1.00 0.00 O ATOM 867 CB THR A 57 10.876 7.065 2.676 1.00 0.00 C ATOM 868 OG1 THR A 57 10.228 7.571 3.829 1.00 0.00 O ATOM 869 CG2 THR A 57 9.820 6.865 1.607 1.00 0.00 C ATOM 0 H THR A 57 11.915 5.679 0.929 1.00 0.00 H new ATOM 0 HA THR A 57 12.491 6.030 3.657 1.00 0.00 H new ATOM 0 HB THR A 57 11.622 7.766 2.302 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.739 8.388 3.597 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.308 7.809 1.420 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.294 6.521 0.688 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.098 6.121 1.944 1.00 0.00 H new ATOM 877 N GLY A 58 10.136 3.878 3.002 1.00 0.00 N ATOM 878 CA GLY A 58 9.246 2.908 3.617 1.00 0.00 C ATOM 879 C GLY A 58 7.777 3.115 3.188 1.00 0.00 C ATOM 880 O GLY A 58 7.114 3.974 3.769 1.00 0.00 O ATOM 0 H GLY A 58 10.247 3.782 1.993 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.564 1.901 3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.321 2.984 4.702 1.00 0.00 H new ATOM 884 N HIS A 59 7.236 2.380 2.183 1.00 0.00 N ATOM 885 CA HIS A 59 5.849 2.608 1.783 1.00 0.00 C ATOM 886 C HIS A 59 4.871 1.905 2.717 1.00 0.00 C ATOM 887 O HIS A 59 5.130 0.814 3.225 1.00 0.00 O ATOM 888 CB HIS A 59 5.605 2.161 0.334 1.00 0.00 C ATOM 889 CG HIS A 59 5.472 3.307 -0.619 1.00 0.00 C ATOM 890 ND1 HIS A 59 4.602 3.545 -1.645 1.00 0.00 N flip ATOM 891 CD2 HIS A 59 6.313 4.394 -0.571 1.00 0.00 C flip ATOM 892 CE1 HIS A 59 4.947 4.761 -2.180 1.00 0.00 C flip ATOM 893 NE2 HIS A 59 5.980 5.249 -1.512 1.00 0.00 N flip ATOM 0 H HIS A 59 7.727 1.655 1.660 1.00 0.00 H new ATOM 0 HA HIS A 59 5.673 3.682 1.850 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.429 1.523 0.013 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.699 1.556 0.294 1.00 0.00 H new ATOM 0 HD2 HIS A 59 7.123 4.525 0.132 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.455 5.242 -3.012 1.00 0.00 H new ATOM 0 HE2 HIS A 59 6.441 6.140 -1.697 1.00 0.00 H new ATOM 902 N ARG A 60 3.745 2.567 2.924 1.00 0.00 N ATOM 903 CA ARG A 60 2.672 2.087 3.779 1.00 0.00 C ATOM 904 C ARG A 60 1.451 1.768 2.888 1.00 0.00 C ATOM 905 O ARG A 60 1.460 2.116 1.707 1.00 0.00 O ATOM 906 CB ARG A 60 2.343 3.177 4.799 1.00 0.00 C ATOM 907 CG ARG A 60 1.534 4.320 4.212 1.00 0.00 C ATOM 908 CD ARG A 60 1.833 5.639 4.906 1.00 0.00 C ATOM 909 NE ARG A 60 1.757 6.772 3.987 1.00 0.00 N ATOM 910 CZ ARG A 60 2.321 7.955 4.219 1.00 0.00 C ATOM 911 NH1 ARG A 60 3.005 8.163 5.337 1.00 0.00 N ATOM 912 NH2 ARG A 60 2.200 8.932 3.331 1.00 0.00 N ATOM 0 H ARG A 60 3.547 3.471 2.494 1.00 0.00 H new ATOM 0 HA ARG A 60 2.961 1.184 4.316 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.788 2.735 5.627 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.271 3.572 5.212 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.753 4.411 3.148 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.471 4.096 4.300 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.126 5.787 5.723 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.828 5.598 5.349 1.00 0.00 H new ATOM 0 HE ARG A 60 1.241 6.649 3.116 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.100 7.414 6.023 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.435 9.071 5.510 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.675 8.777 2.470 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.632 9.839 3.508 1.00 0.00 H new ATOM 926 N LEU A 61 0.421 1.095 3.413 1.00 0.00 N ATOM 927 CA LEU A 61 -0.744 0.746 2.587 1.00 0.00 C ATOM 928 C LEU A 61 -2.046 1.405 3.138 1.00 0.00 C ATOM 929 O LEU A 61 -2.074 1.776 4.304 1.00 0.00 O ATOM 930 CB LEU A 61 -0.871 -0.789 2.510 1.00 0.00 C ATOM 931 CG LEU A 61 -1.573 -1.362 1.278 1.00 0.00 C ATOM 932 CD1 LEU A 61 -1.658 -0.332 0.202 1.00 0.00 C ATOM 933 CD2 LEU A 61 -0.858 -2.578 0.717 1.00 0.00 C ATOM 0 H LEU A 61 0.367 0.786 4.384 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.599 1.137 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.131 -1.216 2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.407 -1.130 3.396 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.569 -1.663 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.160 -0.755 -0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.222 0.527 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.654 -0.014 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.397 -2.946 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.156 -2.303 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.820 -3.360 1.476 1.00 0.00 H new ATOM 945 N CYS A 62 -3.119 1.608 2.314 1.00 0.00 N ATOM 946 CA CYS A 62 -4.330 2.269 2.815 1.00 0.00 C ATOM 947 C CYS A 62 -5.512 1.260 3.056 1.00 0.00 C ATOM 948 O CYS A 62 -5.322 0.051 2.915 1.00 0.00 O ATOM 949 CB CYS A 62 -4.596 3.578 2.005 1.00 0.00 C ATOM 950 SG CYS A 62 -5.730 3.549 0.612 1.00 0.00 S ATOM 0 H CYS A 62 -3.156 1.328 1.334 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.191 2.635 3.832 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.962 4.327 2.707 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.634 3.933 1.634 1.00 0.00 H new ATOM 955 N SER A 63 -6.659 1.742 3.583 1.00 0.00 N ATOM 956 CA SER A 63 -7.787 0.930 4.042 1.00 0.00 C ATOM 957 C SER A 63 -8.460 -0.080 3.093 1.00 0.00 C ATOM 958 O SER A 63 -7.935 -1.150 2.803 1.00 0.00 O ATOM 959 CB SER A 63 -8.841 1.919 4.601 1.00 0.00 C ATOM 960 OG SER A 63 -8.906 1.852 6.015 1.00 0.00 O ATOM 0 H SER A 63 -6.822 2.742 3.701 1.00 0.00 H new ATOM 0 HA SER A 63 -7.346 0.246 4.767 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.590 2.934 4.293 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.819 1.690 4.178 1.00 0.00 H new ATOM 0 HG SER A 63 -9.577 2.487 6.342 1.00 0.00 H new ATOM 966 N VAL A 64 -9.702 0.274 2.796 1.00 0.00 N ATOM 967 CA VAL A 64 -10.723 -0.509 2.047 1.00 0.00 C ATOM 968 C VAL A 64 -10.234 -1.437 0.946 1.00 0.00 C ATOM 969 O VAL A 64 -10.802 -1.480 -0.146 1.00 0.00 O ATOM 970 CB VAL A 64 -11.782 0.414 1.450 1.00 0.00 C ATOM 971 CG1 VAL A 64 -12.514 1.181 2.543 1.00 0.00 C ATOM 972 CG2 VAL A 64 -11.129 1.348 0.465 1.00 0.00 C ATOM 0 H VAL A 64 -10.068 1.181 3.086 1.00 0.00 H new ATOM 0 HA VAL A 64 -11.119 -1.167 2.821 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.527 -0.184 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.263 1.832 2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.003 0.477 3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.801 1.784 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.882 2.009 0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.372 1.943 0.975 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.660 0.768 -0.330 1.00 0.00 H new ATOM 982 N HIS A 65 -9.206 -2.185 1.237 1.00 0.00 N ATOM 983 CA HIS A 65 -8.661 -3.138 0.257 1.00 0.00 C ATOM 984 C HIS A 65 -8.961 -4.610 0.615 1.00 0.00 C ATOM 985 O HIS A 65 -9.579 -5.314 -0.182 1.00 0.00 O ATOM 986 CB HIS A 65 -7.163 -2.961 0.076 1.00 0.00 C ATOM 987 CG HIS A 65 -6.682 -1.566 0.179 1.00 0.00 C ATOM 988 ND1 HIS A 65 -7.485 -0.486 0.458 1.00 0.00 N ATOM 989 CD2 HIS A 65 -5.436 -1.101 0.115 1.00 0.00 C ATOM 990 CE1 HIS A 65 -6.741 0.578 0.582 1.00 0.00 C ATOM 991 NE2 HIS A 65 -5.488 0.227 0.391 1.00 0.00 N ATOM 0 H HIS A 65 -8.718 -2.168 2.133 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.168 -2.910 -0.680 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.648 -3.563 0.824 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.881 -3.356 -0.900 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.549 -1.674 -0.114 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.093 1.575 0.803 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.684 0.853 0.442 1.00 0.00 H new ATOM 999 N PHE A 66 -8.514 -5.096 1.792 1.00 0.00 N ATOM 1000 CA PHE A 66 -8.739 -6.475 2.179 1.00 0.00 C ATOM 1001 C PHE A 66 -10.237 -6.824 2.087 1.00 0.00 C ATOM 1002 O PHE A 66 -11.063 -5.919 1.966 1.00 0.00 O ATOM 1003 CB PHE A 66 -8.216 -6.674 3.608 1.00 0.00 C ATOM 1004 CG PHE A 66 -6.853 -6.069 3.836 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -5.722 -6.776 3.475 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -6.696 -4.807 4.412 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -4.463 -6.254 3.677 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -5.433 -4.282 4.613 1.00 0.00 C ATOM 1009 CZ PHE A 66 -4.317 -5.009 4.248 1.00 0.00 C ATOM 0 H PHE A 66 -7.999 -4.544 2.478 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.205 -7.142 1.502 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.923 -6.233 4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.173 -7.741 3.826 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.827 -7.753 3.027 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -7.566 -4.237 4.702 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.591 -6.821 3.388 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.319 -3.303 5.055 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.330 -4.602 4.410 1.00 0.00 H new ATOM 1019 N GLN A 67 -10.610 -8.116 2.155 1.00 0.00 N ATOM 1020 CA GLN A 67 -12.013 -8.482 2.087 1.00 0.00 C ATOM 1021 C GLN A 67 -12.540 -8.759 3.533 1.00 0.00 C ATOM 1022 O GLN A 67 -12.189 -9.803 4.081 1.00 0.00 O ATOM 1023 CB GLN A 67 -12.172 -9.757 1.253 1.00 0.00 C ATOM 1024 CG GLN A 67 -11.276 -10.900 1.699 1.00 0.00 C ATOM 1025 CD GLN A 67 -10.286 -11.318 0.627 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -10.024 -12.505 0.439 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -9.729 -10.341 -0.078 1.00 0.00 N ATOM 0 H GLN A 67 -9.965 -8.900 2.255 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.577 -7.670 1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -13.211 -10.083 1.300 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.958 -9.526 0.210 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.731 -10.602 2.595 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.894 -11.756 1.972 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.976 -9.370 0.112 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.054 -10.561 -0.810 1.00 0.00 H new ATOM 1036 N GLY A 68 -13.358 -7.884 4.186 1.00 0.00 N ATOM 1037 CA GLY A 68 -13.807 -8.202 5.536 1.00 0.00 C ATOM 1038 C GLY A 68 -12.803 -7.789 6.620 1.00 0.00 C ATOM 1039 O GLY A 68 -13.036 -6.798 7.314 1.00 0.00 O ATOM 0 H GLY A 68 -13.696 -7.000 3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.758 -7.704 5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.989 -9.274 5.608 1.00 0.00 H new ATOM 1043 N GLY A 69 -11.688 -8.527 6.782 1.00 0.00 N ATOM 1044 CA GLY A 69 -10.713 -8.164 7.801 1.00 0.00 C ATOM 1045 C GLY A 69 -9.773 -9.307 8.145 1.00 0.00 C ATOM 1046 O GLY A 69 -10.127 -10.474 7.988 1.00 0.00 O ATOM 0 H GLY A 69 -11.453 -9.353 6.232 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.130 -7.311 7.453 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.237 -7.846 8.702 1.00 0.00 H new ATOM 1050 N ARG A 70 -8.567 -8.969 8.607 1.00 0.00 N ATOM 1051 CA ARG A 70 -7.573 -9.978 8.961 1.00 0.00 C ATOM 1052 C ARG A 70 -7.156 -10.765 7.722 1.00 0.00 C ATOM 1053 O ARG A 70 -7.181 -11.994 7.715 1.00 0.00 O ATOM 1054 CB ARG A 70 -8.127 -10.931 10.024 1.00 0.00 C ATOM 1055 CG ARG A 70 -7.135 -12.003 10.451 1.00 0.00 C ATOM 1056 CD ARG A 70 -7.393 -12.473 11.874 1.00 0.00 C ATOM 1057 NE ARG A 70 -7.808 -13.874 11.917 1.00 0.00 N ATOM 1058 CZ ARG A 70 -9.035 -14.292 11.616 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -9.969 -13.420 11.252 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -9.330 -15.582 11.678 1.00 0.00 N ATOM 0 H ARG A 70 -8.258 -8.007 8.744 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.699 -9.470 9.370 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.425 -10.353 10.899 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.026 -11.411 9.638 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.201 -12.852 9.770 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.121 -11.611 10.375 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.489 -12.343 12.469 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.165 -11.851 12.328 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.117 -14.572 12.194 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.747 -12.426 11.202 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.908 -13.745 11.022 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.616 -16.256 11.957 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.271 -15.902 11.447 1.00 0.00 H new ATOM 1074 N LYS A 71 -6.791 -10.041 6.665 1.00 0.00 N ATOM 1075 CA LYS A 71 -6.385 -10.655 5.406 1.00 0.00 C ATOM 1076 C LYS A 71 -5.442 -11.842 5.624 1.00 0.00 C ATOM 1077 O LYS A 71 -4.256 -11.672 5.903 1.00 0.00 O ATOM 1078 CB LYS A 71 -5.764 -9.581 4.490 1.00 0.00 C ATOM 1079 CG LYS A 71 -4.381 -9.905 3.912 1.00 0.00 C ATOM 1080 CD LYS A 71 -3.225 -9.250 4.683 1.00 0.00 C ATOM 1081 CE LYS A 71 -3.574 -8.880 6.124 1.00 0.00 C ATOM 1082 NZ LYS A 71 -3.895 -7.432 6.266 1.00 0.00 N ATOM 0 H LYS A 71 -6.769 -9.021 6.658 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.268 -11.064 4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.448 -9.400 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.691 -8.650 5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.240 -10.986 3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.345 -9.579 2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.373 -9.930 4.689 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.911 -8.351 4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.426 -9.474 6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.737 -9.132 6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.826 -7.325 6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.170 -6.972 6.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.913 -6.987 5.326 1.00 0.00 H new ATOM 1096 N THR A 72 -5.993 -13.044 5.482 1.00 0.00 N ATOM 1097 CA THR A 72 -5.230 -14.275 5.641 1.00 0.00 C ATOM 1098 C THR A 72 -6.046 -15.474 5.163 1.00 0.00 C ATOM 1099 O THR A 72 -7.275 -15.448 5.203 1.00 0.00 O ATOM 1100 CB THR A 72 -4.816 -14.471 7.100 1.00 0.00 C ATOM 1101 OG1 THR A 72 -5.835 -14.029 7.977 1.00 0.00 O ATOM 1102 CG2 THR A 72 -3.544 -13.737 7.465 1.00 0.00 C ATOM 0 H THR A 72 -6.976 -13.191 5.255 1.00 0.00 H new ATOM 0 HA THR A 72 -4.329 -14.197 5.032 1.00 0.00 H new ATOM 0 HB THR A 72 -4.642 -15.542 7.208 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.925 -13.055 7.910 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.307 -13.919 8.513 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.725 -14.095 6.841 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.682 -12.668 7.304 1.00 0.00 H new ATOM 1110 N TYR A 73 -5.352 -16.525 4.721 1.00 0.00 N ATOM 1111 CA TYR A 73 -6.006 -17.746 4.240 1.00 0.00 C ATOM 1112 C TYR A 73 -6.428 -17.634 2.773 1.00 0.00 C ATOM 1113 O TYR A 73 -7.204 -18.458 2.287 1.00 0.00 O ATOM 1114 CB TYR A 73 -7.231 -18.080 5.104 1.00 0.00 C ATOM 1115 CG TYR A 73 -7.369 -19.549 5.442 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -7.030 -20.534 4.521 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -7.842 -19.951 6.686 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -7.159 -21.875 4.830 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -7.972 -21.291 7.001 1.00 0.00 C ATOM 1120 CZ TYR A 73 -7.630 -22.248 6.071 1.00 0.00 C ATOM 1121 OH TYR A 73 -7.758 -23.581 6.381 1.00 0.00 O ATOM 0 H TYR A 73 -4.333 -16.556 4.686 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.274 -18.550 4.319 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -7.175 -17.509 6.031 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -8.130 -17.753 4.582 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.660 -20.246 3.548 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.112 -19.205 7.418 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.892 -22.627 4.103 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.340 -21.586 7.972 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.102 -23.673 7.294 1.00 0.00 H new ATOM 1131 N THR A 74 -5.921 -16.627 2.062 1.00 0.00 N ATOM 1132 CA THR A 74 -6.270 -16.452 0.649 1.00 0.00 C ATOM 1133 C THR A 74 -5.528 -15.284 0.014 1.00 0.00 C ATOM 1134 O THR A 74 -4.935 -15.421 -1.057 1.00 0.00 O ATOM 1135 CB THR A 74 -7.777 -16.224 0.486 1.00 0.00 C ATOM 1136 OG1 THR A 74 -8.416 -16.107 1.746 1.00 0.00 O ATOM 1137 CG2 THR A 74 -8.468 -17.329 -0.288 1.00 0.00 C ATOM 0 H THR A 74 -5.277 -15.929 2.433 1.00 0.00 H new ATOM 0 HA THR A 74 -5.973 -17.370 0.141 1.00 0.00 H new ATOM 0 HB THR A 74 -7.866 -15.296 -0.079 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.376 -15.961 1.614 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.532 -17.107 -0.368 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.036 -17.399 -1.286 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.333 -18.277 0.233 1.00 0.00 H new ATOM 1145 N VAL A 75 -5.599 -14.126 0.655 1.00 0.00 N ATOM 1146 CA VAL A 75 -4.970 -12.924 0.126 1.00 0.00 C ATOM 1147 C VAL A 75 -3.585 -12.687 0.726 1.00 0.00 C ATOM 1148 O VAL A 75 -3.432 -12.615 1.946 1.00 0.00 O ATOM 1149 CB VAL A 75 -5.842 -11.668 0.368 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -5.596 -10.650 -0.726 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -7.327 -12.008 0.429 1.00 0.00 C ATOM 0 H VAL A 75 -6.086 -13.993 1.542 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.866 -13.090 -0.946 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.556 -11.251 1.334 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.213 -9.769 -0.549 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.545 -10.363 -0.726 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.853 -11.085 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.902 -11.098 0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.636 -12.460 -0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.507 -12.709 1.244 1.00 0.00 H new ATOM 1161 N ARG A 76 -2.576 -12.556 -0.139 1.00 0.00 N ATOM 1162 CA ARG A 76 -1.209 -12.314 0.315 1.00 0.00 C ATOM 1163 C ARG A 76 -0.823 -10.845 0.140 1.00 0.00 C ATOM 1164 O ARG A 76 -0.173 -10.261 1.005 1.00 0.00 O ATOM 1165 CB ARG A 76 -0.222 -13.213 -0.437 1.00 0.00 C ATOM 1166 CG ARG A 76 1.109 -13.384 0.278 1.00 0.00 C ATOM 1167 CD ARG A 76 1.039 -14.486 1.324 1.00 0.00 C ATOM 1168 NE ARG A 76 2.367 -14.899 1.775 1.00 0.00 N ATOM 1169 CZ ARG A 76 2.618 -16.059 2.379 1.00 0.00 C ATOM 1170 NH1 ARG A 76 1.638 -16.925 2.603 1.00 0.00 N ATOM 1171 NH2 ARG A 76 3.854 -16.354 2.759 1.00 0.00 N ATOM 0 H ARG A 76 -2.681 -12.613 -1.152 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.163 -12.556 1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.675 -14.193 -0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.042 -12.794 -1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.887 -13.619 -0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.391 -12.445 0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.458 -14.138 2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.513 -15.346 0.910 1.00 0.00 H new ATOM 0 HE ARG A 76 3.147 -14.261 1.618 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.686 -16.704 2.312 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.837 -17.812 3.066 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.612 -15.693 2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.047 -17.242 3.222 1.00 0.00 H new ATOM 1185 N VAL A 77 -1.227 -10.248 -0.985 1.00 0.00 N ATOM 1186 CA VAL A 77 -0.920 -8.847 -1.258 1.00 0.00 C ATOM 1187 C VAL A 77 -2.210 -8.063 -1.550 1.00 0.00 C ATOM 1188 O VAL A 77 -3.003 -8.479 -2.394 1.00 0.00 O ATOM 1189 CB VAL A 77 0.085 -8.730 -2.446 1.00 0.00 C ATOM 1190 CG1 VAL A 77 1.022 -9.928 -2.475 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -0.633 -8.596 -3.779 1.00 0.00 C ATOM 0 H VAL A 77 -1.765 -10.713 -1.716 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.451 -8.414 -0.374 1.00 0.00 H new ATOM 0 HB VAL A 77 0.670 -7.824 -2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.715 -9.828 -3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.583 -9.974 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.440 -10.842 -2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.101 -8.517 -4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.259 -9.473 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.256 -7.702 -3.768 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.457 -6.934 -0.836 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.675 -6.115 -1.004 1.00 0.00 C ATOM 1203 C PRO A 78 -4.023 -5.687 -2.388 1.00 0.00 C ATOM 1204 O PRO A 78 -4.216 -4.485 -2.601 1.00 0.00 O ATOM 1205 CB PRO A 78 -3.337 -4.866 -0.208 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.552 -5.401 0.914 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.609 -6.353 0.243 1.00 0.00 C ATOM 0 HA PRO A 78 -4.538 -6.704 -0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.764 -4.152 -0.799 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.233 -4.349 0.135 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.019 -4.613 1.446 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.184 -5.907 1.644 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.734 -5.843 -0.158 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.245 -7.117 0.930 1.00 0.00 H new ATOM 1215 N THR A 79 -4.224 -6.589 -3.334 1.00 0.00 N ATOM 1216 CA THR A 79 -4.670 -6.048 -4.574 1.00 0.00 C ATOM 1217 C THR A 79 -6.126 -6.418 -4.787 1.00 0.00 C ATOM 1218 O THR A 79 -6.466 -7.533 -5.181 1.00 0.00 O ATOM 1219 CB THR A 79 -3.797 -6.598 -5.717 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.070 -7.735 -5.287 1.00 0.00 O ATOM 1221 CG2 THR A 79 -2.794 -5.591 -6.231 1.00 0.00 C ATOM 0 H THR A 79 -4.097 -7.599 -3.271 1.00 0.00 H new ATOM 0 HA THR A 79 -4.582 -4.962 -4.560 1.00 0.00 H new ATOM 0 HB THR A 79 -4.491 -6.849 -6.520 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.522 -8.072 -6.026 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.209 -6.038 -7.035 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.320 -4.714 -6.609 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.129 -5.294 -5.420 1.00 0.00 H new ATOM 1229 N ILE A 80 -6.957 -5.396 -4.633 1.00 0.00 N ATOM 1230 CA ILE A 80 -8.381 -5.469 -4.911 1.00 0.00 C ATOM 1231 C ILE A 80 -8.708 -4.319 -5.858 1.00 0.00 C ATOM 1232 O ILE A 80 -8.922 -3.215 -5.378 1.00 0.00 O ATOM 1233 CB ILE A 80 -9.227 -5.369 -3.606 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -9.412 -6.751 -2.954 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -10.585 -4.729 -3.869 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -10.399 -7.650 -3.670 1.00 0.00 C ATOM 0 H ILE A 80 -6.653 -4.479 -4.306 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.628 -6.430 -5.362 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.676 -4.731 -2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.445 -7.253 -2.912 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.744 -6.613 -1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.148 -4.675 -2.937 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -10.443 -3.724 -4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.136 -5.330 -4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.470 -8.603 -3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.379 -7.173 -3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.060 -7.822 -4.691 1.00 0.00 H new ATOM 1248 N PHE A 81 -8.782 -4.534 -7.160 1.00 0.00 N ATOM 1249 CA PHE A 81 -9.098 -3.427 -8.061 1.00 0.00 C ATOM 1250 C PHE A 81 -9.493 -3.959 -9.433 1.00 0.00 C ATOM 1251 O PHE A 81 -8.704 -4.729 -10.018 1.00 0.00 O ATOM 1252 CB PHE A 81 -7.917 -2.420 -8.219 1.00 0.00 C ATOM 1253 CG PHE A 81 -6.963 -2.261 -7.031 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -7.377 -1.691 -5.824 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -5.639 -2.681 -7.133 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -6.500 -1.568 -4.753 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -4.755 -2.542 -6.061 1.00 0.00 C ATOM 1258 CZ PHE A 81 -5.193 -1.991 -4.870 1.00 0.00 C ATOM 1259 OXT PHE A 81 -10.591 -3.601 -9.912 1.00 0.00 O ATOM 0 H PHE A 81 -8.633 -5.436 -7.612 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.932 -2.889 -7.611 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.329 -2.724 -9.085 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.338 -1.441 -8.447 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.394 -1.341 -5.722 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -5.291 -3.121 -8.056 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.844 -1.139 -3.824 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.729 -2.865 -6.162 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.514 -1.893 -4.036 1.00 0.00 H new TER 1269 PHE A 81 HETATM 1270 ZN ZN A 82 -5.260 1.813 -0.781 1.00 0.00 ZN