USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=24 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 54 GLN : amide:sc= -5.97! C(o=-5.9!,f=-4.6!) USER MOD Set 1.2: A 56 THR OG1 : rot 75:sc= 0.0347 USER MOD Set 2.1: A 6 THR OG1 : rot -84:sc= -1.56! USER MOD Set 2.2: A 15 ASN : amide:sc= -8.53! C(o=-9.9!,f=-19!) USER MOD Set 2.3: A 17 HIS : no HE2:sc= 0.234 K(o=-9.9,f=-23!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 59:sc= -0.122 USER MOD Single : A 8 CYS SG : rot -41:sc= 0.136 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -19.3! C(o=-19!,f=-13!) USER MOD Single : A 16 SER OG : rot 170:sc= -1.67! USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= -1.42 (180deg=-1.64) USER MOD Single : A 23 HIS : no HD1:sc= -0.046 X(o=-0.046,f=-0.2) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0335 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.303) USER MOD Single : A 40 ASN : amide:sc= -4.25! C(o=-4.2!,f=-9.1!) USER MOD Single : A 42 SER OG : rot -145:sc= -1.31! USER MOD Single : A 47 SER OG : rot -80:sc= -1.3 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -55:sc= 0.0264 USER MOD Single : A 52 THR OG1 : rot 116:sc= 0.564 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -7.25! C(o=-7.3!,f=-7.2!) USER MOD Single : A 63 SER OG : rot -170:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -19.6! C(o=-20!,f=-24!) USER MOD Single : A 67 GLN : amide:sc= -5.77! C(o=-5.8!,f=-3.2!) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -0.363 (180deg=-0.959) USER MOD Single : A 72 THR OG1 : rot -66:sc= 1.05 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 80:sc= -0.105! USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00191 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.707 16.387 -6.239 1.00 0.00 N ATOM 2 CA GLY A 1 7.383 17.312 -5.287 1.00 0.00 C ATOM 3 C GLY A 1 6.486 17.716 -4.132 1.00 0.00 C ATOM 4 O GLY A 1 5.960 18.829 -4.108 1.00 0.00 O ATOM 0 H1 GLY A 1 7.362 16.142 -7.009 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.421 15.521 -5.738 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.865 16.851 -6.636 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.280 16.833 -4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.706 18.205 -5.821 1.00 0.00 H new ATOM 10 N SER A 2 6.311 16.811 -3.176 1.00 0.00 N ATOM 11 CA SER A 2 5.472 17.078 -2.014 1.00 0.00 C ATOM 12 C SER A 2 5.524 15.911 -1.030 1.00 0.00 C ATOM 13 O SER A 2 6.044 14.842 -1.349 1.00 0.00 O ATOM 14 CB SER A 2 4.026 17.331 -2.451 1.00 0.00 C ATOM 15 OG SER A 2 3.652 18.678 -2.221 1.00 0.00 O ATOM 0 H SER A 2 6.739 15.885 -3.183 1.00 0.00 H new ATOM 0 HA SER A 2 5.853 17.969 -1.515 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.916 17.096 -3.510 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.356 16.666 -1.905 1.00 0.00 H new ATOM 0 HG SER A 2 4.251 19.273 -2.718 1.00 0.00 H new ATOM 21 N PRO A 3 4.983 16.102 0.186 1.00 0.00 N ATOM 22 CA PRO A 3 4.972 15.059 1.217 1.00 0.00 C ATOM 23 C PRO A 3 3.961 13.953 0.917 1.00 0.00 C ATOM 24 O PRO A 3 3.071 13.681 1.722 1.00 0.00 O ATOM 25 CB PRO A 3 4.568 15.823 2.479 1.00 0.00 C ATOM 26 CG PRO A 3 3.757 16.969 1.983 1.00 0.00 C ATOM 27 CD PRO A 3 4.342 17.347 0.650 1.00 0.00 C ATOM 0 HA PRO A 3 5.933 14.550 1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.991 15.193 3.156 1.00 0.00 H new ATOM 0 HB3 PRO A 3 5.443 16.166 3.031 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.708 16.690 1.883 1.00 0.00 H new ATOM 0 HG3 PRO A 3 3.799 17.807 2.679 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.572 17.684 -0.044 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.064 18.158 0.745 1.00 0.00 H new ATOM 35 N GLY A 4 4.103 13.318 -0.245 1.00 0.00 N ATOM 36 CA GLY A 4 3.192 12.251 -0.617 1.00 0.00 C ATOM 37 C GLY A 4 3.899 11.124 -1.367 1.00 0.00 C ATOM 38 O GLY A 4 5.109 11.198 -1.579 1.00 0.00 O ATOM 0 H GLY A 4 4.829 13.523 -0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.721 11.849 0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.396 12.657 -1.241 1.00 0.00 H new ATOM 42 N PHE A 5 3.165 10.071 -1.771 1.00 0.00 N ATOM 43 CA PHE A 5 3.792 8.957 -2.488 1.00 0.00 C ATOM 44 C PHE A 5 2.859 8.286 -3.513 1.00 0.00 C ATOM 45 O PHE A 5 3.297 7.917 -4.601 1.00 0.00 O ATOM 46 CB PHE A 5 4.294 7.913 -1.492 1.00 0.00 C ATOM 47 CG PHE A 5 4.963 8.497 -0.280 1.00 0.00 C ATOM 48 CD1 PHE A 5 6.231 9.051 -0.370 1.00 0.00 C ATOM 49 CD2 PHE A 5 4.325 8.490 0.952 1.00 0.00 C ATOM 50 CE1 PHE A 5 6.848 9.588 0.744 1.00 0.00 C ATOM 51 CE2 PHE A 5 4.938 9.027 2.069 1.00 0.00 C ATOM 52 CZ PHE A 5 6.201 9.576 1.964 1.00 0.00 C ATOM 0 H PHE A 5 2.162 9.972 -1.616 1.00 0.00 H new ATOM 0 HA PHE A 5 4.625 9.381 -3.049 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.453 7.299 -1.170 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.996 7.251 -1.998 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.742 9.063 -1.321 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.338 8.060 1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.836 10.017 0.660 1.00 0.00 H new ATOM 0 HE2 PHE A 5 4.430 9.017 3.022 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.682 9.996 2.835 1.00 0.00 H new ATOM 62 N THR A 6 1.585 8.127 -3.149 1.00 0.00 N ATOM 63 CA THR A 6 0.565 7.495 -4.011 1.00 0.00 C ATOM 64 C THR A 6 0.427 5.988 -3.728 1.00 0.00 C ATOM 65 O THR A 6 1.306 5.204 -4.085 1.00 0.00 O ATOM 66 CB THR A 6 0.879 7.721 -5.494 1.00 0.00 C ATOM 67 OG1 THR A 6 1.367 9.034 -5.709 1.00 0.00 O ATOM 68 CG2 THR A 6 -0.319 7.524 -6.398 1.00 0.00 C ATOM 0 H THR A 6 1.223 8.432 -2.245 1.00 0.00 H new ATOM 0 HA THR A 6 -0.386 7.972 -3.774 1.00 0.00 H new ATOM 0 HB THR A 6 1.631 6.973 -5.746 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.612 9.652 -5.801 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.026 7.699 -7.433 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.690 6.504 -6.294 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.105 8.226 -6.119 1.00 0.00 H new ATOM 76 N CYS A 7 -0.700 5.583 -3.106 1.00 0.00 N ATOM 77 CA CYS A 7 -0.951 4.171 -2.817 1.00 0.00 C ATOM 78 C CYS A 7 -1.326 3.484 -4.122 1.00 0.00 C ATOM 79 O CYS A 7 -1.758 2.332 -4.129 1.00 0.00 O ATOM 80 CB CYS A 7 -2.080 3.937 -1.757 1.00 0.00 C ATOM 81 SG CYS A 7 -2.765 2.256 -1.846 1.00 0.00 S ATOM 0 H CYS A 7 -1.440 6.214 -2.800 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.041 3.755 -2.384 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.681 4.113 -0.758 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.879 4.662 -1.913 1.00 0.00 H new ATOM 86 N CYS A 8 -1.196 4.198 -5.242 1.00 0.00 N ATOM 87 CA CYS A 8 -1.578 3.620 -6.505 1.00 0.00 C ATOM 88 C CYS A 8 -3.028 3.185 -6.355 1.00 0.00 C ATOM 89 O CYS A 8 -3.484 2.200 -6.926 1.00 0.00 O ATOM 90 CB CYS A 8 -0.649 2.455 -6.824 1.00 0.00 C ATOM 91 SG CYS A 8 -1.139 1.449 -8.245 1.00 0.00 S ATOM 0 H CYS A 8 -0.837 5.152 -5.289 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.493 4.323 -7.334 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.352 2.848 -7.004 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.585 1.811 -5.947 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.427 1.272 -8.228 1.00 0.00 H new ATOM 97 N VAL A 9 -3.715 3.963 -5.518 1.00 0.00 N ATOM 98 CA VAL A 9 -5.105 3.753 -5.163 1.00 0.00 C ATOM 99 C VAL A 9 -6.011 4.154 -6.318 1.00 0.00 C ATOM 100 O VAL A 9 -6.278 5.337 -6.533 1.00 0.00 O ATOM 101 CB VAL A 9 -5.416 4.602 -3.892 1.00 0.00 C ATOM 102 CG1 VAL A 9 -4.736 5.952 -3.991 1.00 0.00 C ATOM 103 CG2 VAL A 9 -6.903 4.807 -3.626 1.00 0.00 C ATOM 0 H VAL A 9 -3.303 4.776 -5.060 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.286 2.699 -4.954 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.026 4.028 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.959 6.538 -3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.658 5.811 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.101 6.480 -4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.032 5.407 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.357 5.322 -4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.385 3.839 -3.489 1.00 0.00 H new ATOM 113 N PRO A 10 -6.508 3.160 -7.075 1.00 0.00 N ATOM 114 CA PRO A 10 -7.396 3.401 -8.202 1.00 0.00 C ATOM 115 C PRO A 10 -8.826 3.550 -7.728 1.00 0.00 C ATOM 116 O PRO A 10 -9.637 4.236 -8.349 1.00 0.00 O ATOM 117 CB PRO A 10 -7.235 2.131 -9.031 1.00 0.00 C ATOM 118 CG PRO A 10 -7.010 1.065 -8.016 1.00 0.00 C ATOM 119 CD PRO A 10 -6.250 1.714 -6.886 1.00 0.00 C ATOM 0 HA PRO A 10 -7.164 4.312 -8.753 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.123 1.930 -9.631 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.395 2.209 -9.721 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.957 0.656 -7.664 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.444 0.236 -8.441 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.603 1.368 -5.915 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.185 1.487 -6.937 1.00 0.00 H new ATOM 127 N GLY A 11 -9.121 2.899 -6.609 1.00 0.00 N ATOM 128 CA GLY A 11 -10.443 2.964 -6.052 1.00 0.00 C ATOM 129 C GLY A 11 -10.504 2.551 -4.593 1.00 0.00 C ATOM 130 O GLY A 11 -11.602 2.399 -4.056 1.00 0.00 O ATOM 0 H GLY A 11 -8.460 2.328 -6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.821 3.982 -6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.105 2.321 -6.632 1.00 0.00 H new ATOM 134 N CYS A 12 -9.353 2.366 -3.922 1.00 0.00 N ATOM 135 CA CYS A 12 -9.418 1.976 -2.521 1.00 0.00 C ATOM 136 C CYS A 12 -10.021 3.121 -1.683 1.00 0.00 C ATOM 137 O CYS A 12 -11.013 3.719 -2.100 1.00 0.00 O ATOM 138 CB CYS A 12 -8.090 1.422 -1.920 1.00 0.00 C ATOM 139 SG CYS A 12 -6.507 1.880 -2.685 1.00 0.00 S ATOM 0 H CYS A 12 -8.416 2.476 -4.310 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.083 1.113 -2.477 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.050 1.730 -0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.155 0.334 -1.929 1.00 0.00 H new ATOM 144 N TYR A 13 -9.485 3.402 -0.496 1.00 0.00 N ATOM 145 CA TYR A 13 -10.067 4.439 0.357 1.00 0.00 C ATOM 146 C TYR A 13 -9.299 5.768 0.320 1.00 0.00 C ATOM 147 O TYR A 13 -9.877 6.838 0.124 1.00 0.00 O ATOM 148 CB TYR A 13 -10.162 3.934 1.799 1.00 0.00 C ATOM 149 CG TYR A 13 -10.873 4.895 2.733 1.00 0.00 C ATOM 150 CD1 TYR A 13 -11.772 5.838 2.242 1.00 0.00 C ATOM 151 CD2 TYR A 13 -10.649 4.862 4.105 1.00 0.00 C ATOM 152 CE1 TYR A 13 -12.424 6.715 3.088 1.00 0.00 C ATOM 153 CE2 TYR A 13 -11.297 5.736 4.957 1.00 0.00 C ATOM 154 CZ TYR A 13 -12.182 6.660 4.443 1.00 0.00 C ATOM 155 OH TYR A 13 -12.829 7.531 5.289 1.00 0.00 O ATOM 0 H TYR A 13 -8.664 2.937 -0.108 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.061 4.645 -0.041 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -10.686 2.978 1.807 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.157 3.749 2.178 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -11.963 5.885 1.180 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -9.956 4.140 4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.119 7.439 2.689 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -11.111 5.696 6.020 1.00 0.00 H new ATOM 0 HH TYR A 13 -12.548 7.360 6.212 1.00 0.00 H new ATOM 165 N ASN A 14 -8.014 5.673 0.591 1.00 0.00 N ATOM 166 CA ASN A 14 -7.103 6.818 0.695 1.00 0.00 C ATOM 167 C ASN A 14 -5.898 6.723 -0.265 1.00 0.00 C ATOM 168 O ASN A 14 -5.581 5.635 -0.727 1.00 0.00 O ATOM 169 CB ASN A 14 -6.577 6.998 2.099 1.00 0.00 C ATOM 170 CG ASN A 14 -6.613 5.759 2.980 1.00 0.00 C ATOM 171 OD1 ASN A 14 -5.605 5.398 3.584 1.00 0.00 O ATOM 172 ND2 ASN A 14 -7.768 5.137 3.114 1.00 0.00 N ATOM 0 H ASN A 14 -7.552 4.778 0.751 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.708 7.679 0.413 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.547 7.349 2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.154 7.784 2.586 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.844 4.330 3.734 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.585 5.463 2.598 1.00 0.00 H new ATOM 179 N ASN A 15 -5.214 7.841 -0.605 1.00 0.00 N ATOM 180 CA ASN A 15 -4.077 7.729 -1.514 1.00 0.00 C ATOM 181 C ASN A 15 -2.753 7.957 -0.730 1.00 0.00 C ATOM 182 O ASN A 15 -2.797 8.476 0.385 1.00 0.00 O ATOM 183 CB ASN A 15 -4.226 8.748 -2.650 1.00 0.00 C ATOM 184 CG ASN A 15 -3.073 8.725 -3.631 1.00 0.00 C ATOM 185 OD1 ASN A 15 -1.945 9.062 -3.283 1.00 0.00 O ATOM 186 ND2 ASN A 15 -3.357 8.352 -4.874 1.00 0.00 N ATOM 0 H ASN A 15 -5.425 8.783 -0.276 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.049 6.730 -1.948 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.154 8.550 -3.186 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.311 9.747 -2.223 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.623 8.338 -5.582 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.309 8.080 -5.120 1.00 0.00 H new ATOM 193 N SER A 16 -1.575 7.532 -1.267 1.00 0.00 N ATOM 194 CA SER A 16 -0.322 7.671 -0.550 1.00 0.00 C ATOM 195 C SER A 16 0.316 9.069 -0.758 1.00 0.00 C ATOM 196 O SER A 16 1.342 9.364 -0.147 1.00 0.00 O ATOM 197 CB SER A 16 0.661 6.500 -0.937 1.00 0.00 C ATOM 198 OG SER A 16 1.801 6.498 -0.096 1.00 0.00 O ATOM 0 H SER A 16 -1.490 7.098 -2.186 1.00 0.00 H new ATOM 0 HA SER A 16 -0.531 7.594 0.517 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.143 5.544 -0.857 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.971 6.609 -1.976 1.00 0.00 H new ATOM 0 HG SER A 16 2.315 5.677 -0.244 1.00 0.00 H new ATOM 204 N HIS A 17 -0.281 9.940 -1.614 1.00 0.00 N ATOM 205 CA HIS A 17 0.270 11.282 -1.857 1.00 0.00 C ATOM 206 C HIS A 17 -0.811 12.369 -1.963 1.00 0.00 C ATOM 207 O HIS A 17 -0.482 13.537 -2.167 1.00 0.00 O ATOM 208 CB HIS A 17 1.108 11.305 -3.154 1.00 0.00 C ATOM 209 CG HIS A 17 0.302 11.520 -4.400 1.00 0.00 C ATOM 210 ND1 HIS A 17 -0.566 10.576 -4.909 1.00 0.00 N ATOM 211 CD2 HIS A 17 0.231 12.583 -5.236 1.00 0.00 C ATOM 212 CE1 HIS A 17 -1.132 11.048 -6.005 1.00 0.00 C ATOM 213 NE2 HIS A 17 -0.666 12.263 -6.224 1.00 0.00 N ATOM 0 H HIS A 17 -1.132 9.732 -2.137 1.00 0.00 H new ATOM 0 HA HIS A 17 0.894 11.503 -0.991 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.855 12.095 -3.077 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.648 10.362 -3.242 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -0.743 9.657 -4.502 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.778 13.509 -5.143 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.853 10.528 -6.618 1.00 0.00 H new ATOM 222 N ARG A 18 -2.087 12.003 -1.862 1.00 0.00 N ATOM 223 CA ARG A 18 -3.156 12.998 -1.996 1.00 0.00 C ATOM 224 C ARG A 18 -3.962 13.180 -0.709 1.00 0.00 C ATOM 225 O ARG A 18 -5.086 13.684 -0.745 1.00 0.00 O ATOM 226 CB ARG A 18 -4.081 12.619 -3.164 1.00 0.00 C ATOM 227 CG ARG A 18 -5.372 11.920 -2.756 1.00 0.00 C ATOM 228 CD ARG A 18 -5.856 10.971 -3.838 1.00 0.00 C ATOM 229 NE ARG A 18 -6.797 11.616 -4.752 1.00 0.00 N ATOM 230 CZ ARG A 18 -8.054 11.912 -4.432 1.00 0.00 C ATOM 231 NH1 ARG A 18 -8.519 11.638 -3.219 1.00 0.00 N ATOM 232 NH2 ARG A 18 -8.847 12.488 -5.326 1.00 0.00 N ATOM 0 H ARG A 18 -2.404 11.049 -1.692 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.680 13.957 -2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.333 13.524 -3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.533 11.970 -3.847 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.211 11.367 -1.831 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.142 12.665 -2.552 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.001 10.598 -4.402 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.334 10.108 -3.375 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.471 11.853 -5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.912 11.199 -2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.483 11.867 -2.979 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.493 12.704 -6.258 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.811 12.715 -5.081 1.00 0.00 H new ATOM 246 N ASP A 19 -3.397 12.784 0.422 1.00 0.00 N ATOM 247 CA ASP A 19 -4.097 12.929 1.691 1.00 0.00 C ATOM 248 C ASP A 19 -3.165 12.757 2.906 1.00 0.00 C ATOM 249 O ASP A 19 -2.915 13.714 3.639 1.00 0.00 O ATOM 250 CB ASP A 19 -5.288 11.954 1.732 1.00 0.00 C ATOM 251 CG ASP A 19 -5.514 11.355 3.093 1.00 0.00 C ATOM 252 OD1 ASP A 19 -5.727 12.131 4.045 1.00 0.00 O ATOM 253 OD2 ASP A 19 -5.469 10.113 3.212 1.00 0.00 O ATOM 0 H ASP A 19 -2.469 12.365 0.489 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.474 13.949 1.759 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.190 12.479 1.418 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.119 11.153 1.013 1.00 0.00 H new ATOM 258 N LYS A 20 -2.664 11.547 3.112 1.00 0.00 N ATOM 259 CA LYS A 20 -1.766 11.237 4.236 1.00 0.00 C ATOM 260 C LYS A 20 -2.483 11.323 5.604 1.00 0.00 C ATOM 261 O LYS A 20 -1.840 11.325 6.654 1.00 0.00 O ATOM 262 CB LYS A 20 -0.549 12.181 4.194 1.00 0.00 C ATOM 263 CG LYS A 20 -0.527 13.254 5.278 1.00 0.00 C ATOM 264 CD LYS A 20 0.508 14.327 4.979 1.00 0.00 C ATOM 265 CE LYS A 20 1.736 14.181 5.864 1.00 0.00 C ATOM 266 NZ LYS A 20 2.973 14.644 5.177 1.00 0.00 N ATOM 0 H LYS A 20 -2.863 10.748 2.510 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.433 10.205 4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.359 11.583 4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.521 12.669 3.220 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.513 13.711 5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.308 12.794 6.242 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.804 14.266 3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.066 15.312 5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.593 14.754 6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.852 13.137 6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.712 14.835 5.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.303 13.907 4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.770 15.514 4.645 1.00 0.00 H new ATOM 280 N ALA A 21 -3.810 11.400 5.572 1.00 0.00 N ATOM 281 CA ALA A 21 -4.628 11.501 6.799 1.00 0.00 C ATOM 282 C ALA A 21 -5.466 10.235 7.173 1.00 0.00 C ATOM 283 O ALA A 21 -5.610 9.948 8.362 1.00 0.00 O ATOM 284 CB ALA A 21 -5.552 12.705 6.688 1.00 0.00 C ATOM 0 H ALA A 21 -4.354 11.395 4.709 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.908 11.607 7.610 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.157 12.783 7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.957 13.611 6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.204 12.584 5.823 1.00 0.00 H new ATOM 290 N LEU A 22 -6.048 9.502 6.199 1.00 0.00 N ATOM 291 CA LEU A 22 -6.877 8.329 6.485 1.00 0.00 C ATOM 292 C LEU A 22 -6.001 7.258 7.215 1.00 0.00 C ATOM 293 O LEU A 22 -5.067 7.655 7.910 1.00 0.00 O ATOM 294 CB LEU A 22 -7.560 7.881 5.145 1.00 0.00 C ATOM 295 CG LEU A 22 -8.008 9.011 4.183 1.00 0.00 C ATOM 296 CD1 LEU A 22 -9.404 8.758 3.632 1.00 0.00 C ATOM 297 CD2 LEU A 22 -7.969 10.362 4.840 1.00 0.00 C ATOM 0 H LEU A 22 -5.953 9.710 5.205 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.696 8.530 7.176 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.867 7.232 4.609 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.434 7.278 5.393 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.295 9.006 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.684 9.571 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.413 7.816 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.116 8.706 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.291 11.122 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.636 10.367 5.702 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.952 10.578 5.167 1.00 0.00 H new ATOM 309 N HIS A 23 -6.260 5.930 7.127 1.00 0.00 N ATOM 310 CA HIS A 23 -5.437 4.982 7.860 1.00 0.00 C ATOM 311 C HIS A 23 -4.357 4.386 6.937 1.00 0.00 C ATOM 312 O HIS A 23 -4.618 4.170 5.754 1.00 0.00 O ATOM 313 CB HIS A 23 -6.325 3.853 8.389 1.00 0.00 C ATOM 314 CG HIS A 23 -6.127 3.560 9.842 1.00 0.00 C ATOM 315 ND1 HIS A 23 -6.145 4.536 10.818 1.00 0.00 N ATOM 316 CD2 HIS A 23 -5.909 2.390 10.489 1.00 0.00 C ATOM 317 CE1 HIS A 23 -5.945 3.978 11.999 1.00 0.00 C ATOM 318 NE2 HIS A 23 -5.799 2.678 11.826 1.00 0.00 N ATOM 0 H HIS A 23 -7.009 5.517 6.571 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.951 5.498 8.688 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.369 4.115 8.220 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.127 2.948 7.815 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.835 1.412 10.036 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -5.907 4.498 12.945 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.631 1.997 12.567 1.00 0.00 H new ATOM 327 N PHE A 24 -3.139 4.129 7.456 1.00 0.00 N ATOM 328 CA PHE A 24 -2.081 3.580 6.624 1.00 0.00 C ATOM 329 C PHE A 24 -1.444 2.320 7.275 1.00 0.00 C ATOM 330 O PHE A 24 -0.983 2.401 8.413 1.00 0.00 O ATOM 331 CB PHE A 24 -0.997 4.642 6.399 1.00 0.00 C ATOM 332 CG PHE A 24 -1.453 5.842 5.595 1.00 0.00 C ATOM 333 CD1 PHE A 24 -2.070 6.919 6.216 1.00 0.00 C ATOM 334 CD2 PHE A 24 -1.246 5.904 4.220 1.00 0.00 C ATOM 335 CE1 PHE A 24 -2.473 8.025 5.486 1.00 0.00 C ATOM 336 CE2 PHE A 24 -1.643 7.007 3.490 1.00 0.00 C ATOM 337 CZ PHE A 24 -2.257 8.068 4.118 1.00 0.00 C ATOM 0 H PHE A 24 -2.879 4.293 8.429 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.520 3.287 5.670 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.636 4.986 7.368 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.152 4.179 5.890 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.238 6.894 7.283 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.768 5.077 3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.955 8.854 5.983 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.472 7.038 2.424 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.569 8.930 3.547 1.00 0.00 H new ATOM 347 N TYR A 25 -1.384 1.166 6.570 1.00 0.00 N ATOM 348 CA TYR A 25 -0.765 -0.036 7.136 1.00 0.00 C ATOM 349 C TYR A 25 0.755 0.029 6.897 1.00 0.00 C ATOM 350 O TYR A 25 1.191 0.731 5.991 1.00 0.00 O ATOM 351 CB TYR A 25 -1.339 -1.312 6.507 1.00 0.00 C ATOM 352 CG TYR A 25 -2.756 -1.622 6.936 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.771 -0.688 6.775 1.00 0.00 C ATOM 354 CD2 TYR A 25 -3.076 -2.849 7.501 1.00 0.00 C ATOM 355 CE1 TYR A 25 -5.067 -0.970 7.167 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.369 -3.139 7.895 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.360 -2.197 7.725 1.00 0.00 C ATOM 358 OH TYR A 25 -6.648 -2.480 8.117 1.00 0.00 O ATOM 0 H TYR A 25 -1.752 1.051 5.626 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.979 -0.070 8.204 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.311 -1.215 5.422 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.698 -2.154 6.768 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.545 0.273 6.337 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.302 -3.590 7.635 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.846 -0.233 7.037 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.601 -4.098 8.333 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.685 -3.386 8.489 1.00 0.00 H new ATOM 368 N THR A 26 1.574 -0.662 7.709 1.00 0.00 N ATOM 369 CA THR A 26 3.029 -0.583 7.543 1.00 0.00 C ATOM 370 C THR A 26 3.603 -1.844 6.886 1.00 0.00 C ATOM 371 O THR A 26 2.873 -2.792 6.595 1.00 0.00 O ATOM 372 CB THR A 26 3.721 -0.304 8.888 1.00 0.00 C ATOM 373 OG1 THR A 26 4.441 -1.442 9.336 1.00 0.00 O ATOM 374 CG2 THR A 26 2.768 0.095 9.996 1.00 0.00 C ATOM 0 H THR A 26 1.260 -1.267 8.468 1.00 0.00 H new ATOM 0 HA THR A 26 3.231 0.252 6.871 1.00 0.00 H new ATOM 0 HB THR A 26 4.387 0.535 8.687 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.873 -1.239 10.192 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.330 0.275 10.912 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.239 1.004 9.711 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.049 -0.707 10.163 1.00 0.00 H new ATOM 382 N PHE A 27 4.905 -1.802 6.564 1.00 0.00 N ATOM 383 CA PHE A 27 5.560 -2.884 5.840 1.00 0.00 C ATOM 384 C PHE A 27 6.135 -4.039 6.696 1.00 0.00 C ATOM 385 O PHE A 27 6.882 -3.786 7.641 1.00 0.00 O ATOM 386 CB PHE A 27 6.711 -2.281 5.049 1.00 0.00 C ATOM 387 CG PHE A 27 6.553 -2.304 3.555 1.00 0.00 C ATOM 388 CD1 PHE A 27 5.345 -2.622 2.964 1.00 0.00 C ATOM 389 CD2 PHE A 27 7.635 -2.006 2.738 1.00 0.00 C ATOM 390 CE1 PHE A 27 5.214 -2.647 1.597 1.00 0.00 C ATOM 391 CE2 PHE A 27 7.509 -2.028 1.369 1.00 0.00 C ATOM 392 CZ PHE A 27 6.297 -2.350 0.793 1.00 0.00 C ATOM 0 H PHE A 27 5.521 -1.023 6.798 1.00 0.00 H new ATOM 0 HA PHE A 27 4.778 -3.337 5.230 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.844 -1.247 5.367 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.625 -2.815 5.308 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.493 -2.854 3.585 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.586 -1.754 3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.263 -2.899 1.151 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.358 -1.793 0.745 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.196 -2.370 -0.282 1.00 0.00 H new ATOM 402 N PRO A 28 5.813 -5.330 6.367 1.00 0.00 N ATOM 403 CA PRO A 28 6.332 -6.506 7.105 1.00 0.00 C ATOM 404 C PRO A 28 7.832 -6.375 7.435 1.00 0.00 C ATOM 405 O PRO A 28 8.484 -5.430 6.992 1.00 0.00 O ATOM 406 CB PRO A 28 6.129 -7.619 6.055 1.00 0.00 C ATOM 407 CG PRO A 28 4.834 -7.254 5.447 1.00 0.00 C ATOM 408 CD PRO A 28 4.869 -5.762 5.300 1.00 0.00 C ATOM 0 HA PRO A 28 5.842 -6.663 8.066 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.933 -7.634 5.319 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.098 -8.608 6.513 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.703 -7.741 4.481 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.002 -7.567 6.078 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.217 -5.464 4.311 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.881 -5.322 5.436 1.00 0.00 H new ATOM 416 N LYS A 29 8.380 -7.317 8.217 1.00 0.00 N ATOM 417 CA LYS A 29 9.797 -7.266 8.591 1.00 0.00 C ATOM 418 C LYS A 29 10.675 -7.935 7.540 1.00 0.00 C ATOM 419 O LYS A 29 11.874 -7.672 7.460 1.00 0.00 O ATOM 420 CB LYS A 29 10.038 -7.926 9.960 1.00 0.00 C ATOM 421 CG LYS A 29 8.862 -8.732 10.494 1.00 0.00 C ATOM 422 CD LYS A 29 9.222 -9.460 11.781 1.00 0.00 C ATOM 423 CE LYS A 29 8.343 -9.020 12.942 1.00 0.00 C ATOM 424 NZ LYS A 29 9.147 -8.682 14.149 1.00 0.00 N ATOM 0 H LYS A 29 7.869 -8.113 8.598 1.00 0.00 H new ATOM 0 HA LYS A 29 10.070 -6.213 8.655 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.906 -8.582 9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.287 -7.150 10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.017 -8.068 10.675 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.544 -9.455 9.743 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.117 -10.535 11.632 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.268 -9.272 12.025 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.754 -8.153 12.643 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.638 -9.815 13.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.512 -8.387 14.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.690 -9.517 14.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.802 -7.906 13.924 1.00 0.00 H new ATOM 438 N ASP A 30 10.069 -8.793 6.736 1.00 0.00 N ATOM 439 CA ASP A 30 10.792 -9.499 5.680 1.00 0.00 C ATOM 440 C ASP A 30 10.912 -8.595 4.452 1.00 0.00 C ATOM 441 O ASP A 30 9.904 -8.233 3.848 1.00 0.00 O ATOM 442 CB ASP A 30 10.053 -10.798 5.302 1.00 0.00 C ATOM 443 CG ASP A 30 8.812 -11.058 6.139 1.00 0.00 C ATOM 444 OD1 ASP A 30 8.956 -11.539 7.282 1.00 0.00 O ATOM 445 OD2 ASP A 30 7.697 -10.780 5.649 1.00 0.00 O ATOM 0 H ASP A 30 9.076 -9.021 6.791 1.00 0.00 H new ATOM 0 HA ASP A 30 11.787 -9.756 6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.769 -10.752 4.251 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.737 -11.640 5.410 1.00 0.00 H new ATOM 450 N ALA A 31 12.142 -8.206 4.096 1.00 0.00 N ATOM 451 CA ALA A 31 12.355 -7.322 2.963 1.00 0.00 C ATOM 452 C ALA A 31 11.505 -7.707 1.715 1.00 0.00 C ATOM 453 O ALA A 31 10.604 -6.975 1.351 1.00 0.00 O ATOM 454 CB ALA A 31 13.857 -7.214 2.665 1.00 0.00 C ATOM 0 H ALA A 31 12.995 -8.492 4.578 1.00 0.00 H new ATOM 0 HA ALA A 31 11.993 -6.330 3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.012 -6.550 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.373 -6.813 3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.254 -8.202 2.431 1.00 0.00 H new ATOM 460 N GLU A 32 11.755 -8.843 1.056 1.00 0.00 N ATOM 461 CA GLU A 32 10.971 -9.207 -0.148 1.00 0.00 C ATOM 462 C GLU A 32 9.480 -9.102 0.037 1.00 0.00 C ATOM 463 O GLU A 32 8.873 -8.294 -0.670 1.00 0.00 O ATOM 464 CB GLU A 32 11.390 -10.585 -0.683 1.00 0.00 C ATOM 465 CG GLU A 32 10.615 -11.038 -1.912 1.00 0.00 C ATOM 466 CD GLU A 32 9.567 -12.082 -1.583 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.058 -12.075 -0.443 1.00 0.00 O ATOM 468 OE2 GLU A 32 9.253 -12.907 -2.467 1.00 0.00 O ATOM 0 H GLU A 32 12.474 -9.517 1.320 1.00 0.00 H new ATOM 0 HA GLU A 32 11.213 -8.459 -0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.452 -10.561 -0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.260 -11.324 0.108 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.133 -10.176 -2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.310 -11.444 -2.647 1.00 0.00 H new ATOM 475 N LEU A 33 8.848 -9.850 0.946 1.00 0.00 N ATOM 476 CA LEU A 33 7.418 -9.695 1.085 1.00 0.00 C ATOM 477 C LEU A 33 7.060 -8.218 0.912 1.00 0.00 C ATOM 478 O LEU A 33 6.091 -7.853 0.246 1.00 0.00 O ATOM 479 CB LEU A 33 6.955 -10.199 2.465 1.00 0.00 C ATOM 480 CG LEU A 33 5.468 -10.541 2.596 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.751 -10.486 1.257 1.00 0.00 C ATOM 482 CD2 LEU A 33 5.289 -11.908 3.206 1.00 0.00 C ATOM 0 H LEU A 33 9.286 -10.533 1.563 1.00 0.00 H new ATOM 0 HA LEU A 33 6.912 -10.286 0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.534 -11.087 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.198 -9.438 3.207 1.00 0.00 H new ATOM 0 HG LEU A 33 5.026 -9.789 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.699 -10.735 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.834 -9.482 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.205 -11.201 0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.226 -12.132 3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.768 -12.655 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.744 -11.927 4.196 1.00 0.00 H new ATOM 494 N ARG A 34 7.920 -7.384 1.466 1.00 0.00 N ATOM 495 CA ARG A 34 7.761 -5.932 1.400 1.00 0.00 C ATOM 496 C ARG A 34 7.697 -5.455 -0.016 1.00 0.00 C ATOM 497 O ARG A 34 6.696 -4.862 -0.437 1.00 0.00 O ATOM 498 CB ARG A 34 8.870 -5.183 2.197 1.00 0.00 C ATOM 499 CG ARG A 34 10.131 -4.794 1.419 1.00 0.00 C ATOM 500 CD ARG A 34 9.998 -3.448 0.736 1.00 0.00 C ATOM 501 NE ARG A 34 11.142 -3.157 -0.126 1.00 0.00 N ATOM 502 CZ ARG A 34 12.354 -2.849 0.328 1.00 0.00 C ATOM 503 NH1 ARG A 34 12.586 -2.784 1.633 1.00 0.00 N ATOM 504 NH2 ARG A 34 13.338 -2.604 -0.527 1.00 0.00 N ATOM 0 H ARG A 34 8.750 -7.688 1.975 1.00 0.00 H new ATOM 0 HA ARG A 34 6.810 -5.696 1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.435 -4.276 2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.168 -5.810 3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.982 -4.770 2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.343 -5.558 0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.084 -3.431 0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.904 -2.666 1.490 1.00 0.00 H new ATOM 0 HE ARG A 34 11.003 -3.192 -1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 34 11.833 -2.971 2.295 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.518 -2.547 1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.165 -2.652 -1.531 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.268 -2.368 -0.180 1.00 0.00 H new ATOM 518 N ARG A 35 8.735 -5.740 -0.769 1.00 0.00 N ATOM 519 CA ARG A 35 8.758 -5.322 -2.135 1.00 0.00 C ATOM 520 C ARG A 35 7.536 -5.851 -2.828 1.00 0.00 C ATOM 521 O ARG A 35 6.951 -5.161 -3.660 1.00 0.00 O ATOM 522 CB ARG A 35 10.072 -5.710 -2.851 1.00 0.00 C ATOM 523 CG ARG A 35 10.227 -7.177 -3.250 1.00 0.00 C ATOM 524 CD ARG A 35 9.293 -7.563 -4.388 1.00 0.00 C ATOM 525 NE ARG A 35 10.012 -8.179 -5.500 1.00 0.00 N ATOM 526 CZ ARG A 35 10.631 -7.491 -6.458 1.00 0.00 C ATOM 527 NH1 ARG A 35 10.627 -6.163 -6.440 1.00 0.00 N ATOM 528 NH2 ARG A 35 11.259 -8.131 -7.434 1.00 0.00 N ATOM 0 H ARG A 35 9.559 -6.253 -0.456 1.00 0.00 H new ATOM 0 HA ARG A 35 8.734 -4.233 -2.173 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.162 -5.101 -3.751 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.905 -5.444 -2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.258 -7.364 -3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.026 -7.810 -2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.537 -8.255 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.768 -6.676 -4.743 1.00 0.00 H new ATOM 0 HE ARG A 35 10.042 -9.198 -5.546 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.148 -5.665 -5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.103 -5.642 -7.176 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.268 -9.151 -7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 35 11.733 -7.604 -8.167 1.00 0.00 H new ATOM 542 N LEU A 36 7.069 -7.036 -2.433 1.00 0.00 N ATOM 543 CA LEU A 36 5.856 -7.539 -3.076 1.00 0.00 C ATOM 544 C LEU A 36 4.729 -6.559 -2.890 1.00 0.00 C ATOM 545 O LEU A 36 4.076 -6.159 -3.861 1.00 0.00 O ATOM 546 CB LEU A 36 5.480 -8.944 -2.594 1.00 0.00 C ATOM 547 CG LEU A 36 6.369 -10.068 -3.137 1.00 0.00 C ATOM 548 CD1 LEU A 36 6.807 -10.994 -2.016 1.00 0.00 C ATOM 549 CD2 LEU A 36 5.641 -10.849 -4.221 1.00 0.00 C ATOM 0 H LEU A 36 7.481 -7.634 -1.716 1.00 0.00 H new ATOM 0 HA LEU A 36 6.056 -7.634 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.520 -8.962 -1.505 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.448 -9.147 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 36 7.259 -9.618 -3.576 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.437 -11.785 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.370 -10.427 -1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.929 -11.436 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.288 -11.643 -4.594 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.733 -11.286 -3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.380 -10.178 -5.040 1.00 0.00 H new ATOM 561 N TRP A 37 4.538 -6.101 -1.674 1.00 0.00 N ATOM 562 CA TRP A 37 3.506 -5.135 -1.440 1.00 0.00 C ATOM 563 C TRP A 37 3.759 -3.899 -2.269 1.00 0.00 C ATOM 564 O TRP A 37 2.813 -3.354 -2.859 1.00 0.00 O ATOM 565 CB TRP A 37 3.448 -4.770 0.023 1.00 0.00 C ATOM 566 CG TRP A 37 2.728 -5.788 0.823 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.664 -7.120 0.563 1.00 0.00 C ATOM 568 CD2 TRP A 37 1.959 -5.555 1.995 1.00 0.00 C ATOM 569 NE1 TRP A 37 1.917 -7.749 1.542 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.465 -6.795 2.431 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.651 -4.409 2.721 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.671 -6.909 3.575 1.00 0.00 C ATOM 573 CZ3 TRP A 37 0.872 -4.523 3.845 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.390 -5.760 4.267 1.00 0.00 C ATOM 0 H TRP A 37 5.074 -6.378 -0.852 1.00 0.00 H new ATOM 0 HA TRP A 37 2.549 -5.570 -1.729 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.461 -4.657 0.408 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.954 -3.805 0.136 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.126 -7.612 -0.280 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.731 -8.750 1.598 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.019 -3.444 2.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.293 -7.867 3.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.628 -3.637 4.413 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.218 -5.815 5.158 1.00 0.00 H new ATOM 585 N LEU A 38 5.051 -3.478 -2.367 1.00 0.00 N ATOM 586 CA LEU A 38 5.379 -2.314 -3.156 1.00 0.00 C ATOM 587 C LEU A 38 4.464 -2.319 -4.380 1.00 0.00 C ATOM 588 O LEU A 38 3.727 -1.356 -4.637 1.00 0.00 O ATOM 589 CB LEU A 38 6.863 -2.325 -3.561 1.00 0.00 C ATOM 590 CG LEU A 38 7.828 -1.991 -2.421 1.00 0.00 C ATOM 591 CD1 LEU A 38 9.256 -1.902 -2.939 1.00 0.00 C ATOM 592 CD2 LEU A 38 7.425 -0.689 -1.742 1.00 0.00 C ATOM 0 H LEU A 38 5.845 -3.930 -1.913 1.00 0.00 H new ATOM 0 HA LEU A 38 5.224 -1.403 -2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.113 -3.310 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.012 -1.610 -4.370 1.00 0.00 H new ATOM 0 HG LEU A 38 7.778 -2.793 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.928 -1.664 -2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.544 -2.857 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.320 -1.121 -3.697 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.123 -0.469 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.444 0.122 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.419 -0.787 -1.335 1.00 0.00 H new ATOM 604 N LYS A 39 4.438 -3.465 -5.090 1.00 0.00 N ATOM 605 CA LYS A 39 3.612 -3.619 -6.252 1.00 0.00 C ATOM 606 C LYS A 39 2.180 -3.098 -6.064 1.00 0.00 C ATOM 607 O LYS A 39 1.768 -2.134 -6.724 1.00 0.00 O ATOM 608 CB LYS A 39 3.644 -5.110 -6.648 1.00 0.00 C ATOM 609 CG LYS A 39 4.652 -5.459 -7.738 1.00 0.00 C ATOM 610 CD LYS A 39 5.902 -4.589 -7.683 1.00 0.00 C ATOM 611 CE LYS A 39 5.908 -3.549 -8.795 1.00 0.00 C ATOM 612 NZ LYS A 39 7.293 -3.142 -9.163 1.00 0.00 N ATOM 0 H LYS A 39 4.992 -4.289 -4.858 1.00 0.00 H new ATOM 0 HA LYS A 39 4.011 -3.001 -7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.869 -5.703 -5.761 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.650 -5.404 -6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.938 -6.506 -7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.179 -5.347 -8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.956 -4.089 -6.716 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.788 -5.218 -7.767 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.402 -3.952 -9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.344 -2.672 -8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.283 -2.169 -9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.904 -3.189 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.661 -3.784 -9.894 1.00 0.00 H new ATOM 626 N ASN A 40 1.430 -3.725 -5.170 1.00 0.00 N ATOM 627 CA ASN A 40 0.030 -3.354 -4.950 1.00 0.00 C ATOM 628 C ASN A 40 -0.162 -1.901 -4.558 1.00 0.00 C ATOM 629 O ASN A 40 -1.177 -1.289 -4.895 1.00 0.00 O ATOM 630 CB ASN A 40 -0.626 -4.267 -3.894 1.00 0.00 C ATOM 631 CG ASN A 40 0.367 -4.973 -2.990 1.00 0.00 C ATOM 632 OD1 ASN A 40 0.772 -4.435 -1.960 1.00 0.00 O ATOM 633 ND2 ASN A 40 0.758 -6.187 -3.368 1.00 0.00 N ATOM 0 H ASN A 40 1.761 -4.491 -4.584 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.461 -3.491 -5.914 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.300 -3.670 -3.280 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.235 -5.015 -4.402 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.420 -6.711 -2.795 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.396 -6.594 -4.230 1.00 0.00 H new ATOM 640 N VAL A 41 0.779 -1.363 -3.822 1.00 0.00 N ATOM 641 CA VAL A 41 0.671 0.011 -3.352 1.00 0.00 C ATOM 642 C VAL A 41 1.051 1.079 -4.361 1.00 0.00 C ATOM 643 O VAL A 41 0.643 2.219 -4.186 1.00 0.00 O ATOM 644 CB VAL A 41 1.418 0.283 -2.035 1.00 0.00 C ATOM 645 CG1 VAL A 41 2.736 0.989 -2.285 1.00 0.00 C ATOM 646 CG2 VAL A 41 0.543 1.135 -1.132 1.00 0.00 C ATOM 0 H VAL A 41 1.629 -1.847 -3.532 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.402 0.094 -3.178 1.00 0.00 H new ATOM 0 HB VAL A 41 1.634 -0.672 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.239 1.167 -1.335 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.367 0.367 -2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.550 1.942 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.067 1.331 -0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.320 2.080 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.387 0.607 -0.923 1.00 0.00 H new ATOM 656 N SER A 42 1.867 0.771 -5.371 1.00 0.00 N ATOM 657 CA SER A 42 2.288 1.825 -6.308 1.00 0.00 C ATOM 658 C SER A 42 3.600 1.428 -7.044 1.00 0.00 C ATOM 659 O SER A 42 3.517 0.671 -8.012 1.00 0.00 O ATOM 660 CB SER A 42 2.381 3.223 -5.584 1.00 0.00 C ATOM 661 OG SER A 42 3.523 3.945 -6.004 1.00 0.00 O ATOM 0 H SER A 42 2.239 -0.159 -5.561 1.00 0.00 H new ATOM 0 HA SER A 42 1.525 1.930 -7.079 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.483 3.804 -5.794 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.419 3.074 -4.505 1.00 0.00 H new ATOM 0 HG SER A 42 3.876 4.465 -5.252 1.00 0.00 H new ATOM 667 N ARG A 43 4.816 1.895 -6.635 1.00 0.00 N ATOM 668 CA ARG A 43 6.025 1.492 -7.358 1.00 0.00 C ATOM 669 C ARG A 43 7.285 2.111 -6.742 1.00 0.00 C ATOM 670 O ARG A 43 7.211 2.800 -5.727 1.00 0.00 O ATOM 671 CB ARG A 43 5.914 1.892 -8.833 1.00 0.00 C ATOM 672 CG ARG A 43 6.487 0.858 -9.790 1.00 0.00 C ATOM 673 CD ARG A 43 5.691 0.789 -11.084 1.00 0.00 C ATOM 674 NE ARG A 43 6.544 0.930 -12.262 1.00 0.00 N ATOM 675 CZ ARG A 43 7.325 -0.041 -12.733 1.00 0.00 C ATOM 676 NH1 ARG A 43 7.359 -1.224 -12.131 1.00 0.00 N ATOM 677 NH2 ARG A 43 8.070 0.172 -13.809 1.00 0.00 N ATOM 0 H ARG A 43 4.967 2.521 -5.844 1.00 0.00 H new ATOM 0 HA ARG A 43 6.112 0.408 -7.280 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.865 2.059 -9.077 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.431 2.840 -8.984 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.525 1.105 -10.014 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.488 -0.121 -9.310 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.161 -0.162 -11.133 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.936 1.575 -11.087 1.00 0.00 H new ATOM 0 HE ARG A 43 6.541 1.824 -12.752 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.786 -1.392 -11.304 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.958 -1.965 -12.495 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.045 1.079 -14.275 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.668 -0.571 -14.170 1.00 0.00 H new ATOM 691 N ALA A 44 8.446 1.853 -7.355 1.00 0.00 N ATOM 692 CA ALA A 44 9.710 2.387 -6.847 1.00 0.00 C ATOM 693 C ALA A 44 9.912 3.870 -7.233 1.00 0.00 C ATOM 694 O ALA A 44 10.795 4.171 -8.038 1.00 0.00 O ATOM 695 CB ALA A 44 10.868 1.537 -7.381 1.00 0.00 C ATOM 0 H ALA A 44 8.534 1.283 -8.196 1.00 0.00 H new ATOM 0 HA ALA A 44 9.684 2.341 -5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.812 1.931 -7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.747 0.506 -7.048 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.870 1.568 -8.471 1.00 0.00 H new ATOM 701 N GLY A 45 9.111 4.814 -6.674 1.00 0.00 N ATOM 702 CA GLY A 45 9.286 6.216 -7.021 1.00 0.00 C ATOM 703 C GLY A 45 9.356 6.460 -8.522 1.00 0.00 C ATOM 704 O GLY A 45 9.848 7.501 -8.955 1.00 0.00 O ATOM 0 H GLY A 45 8.366 4.622 -6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.460 6.792 -6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.200 6.587 -6.556 1.00 0.00 H new ATOM 708 N VAL A 46 8.857 5.502 -9.308 1.00 0.00 N ATOM 709 CA VAL A 46 8.856 5.602 -10.772 1.00 0.00 C ATOM 710 C VAL A 46 10.021 6.446 -11.300 1.00 0.00 C ATOM 711 O VAL A 46 9.821 7.353 -12.110 1.00 0.00 O ATOM 712 CB VAL A 46 7.516 6.180 -11.290 1.00 0.00 C ATOM 713 CG1 VAL A 46 7.289 7.597 -10.780 1.00 0.00 C ATOM 714 CG2 VAL A 46 7.463 6.138 -12.813 1.00 0.00 C ATOM 0 H VAL A 46 8.445 4.640 -8.951 1.00 0.00 H new ATOM 0 HA VAL A 46 8.980 4.587 -11.150 1.00 0.00 H new ATOM 0 HB VAL A 46 6.712 5.555 -10.901 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.340 7.973 -11.162 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.265 7.592 -9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.099 8.241 -11.122 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.513 6.549 -13.155 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.282 6.729 -13.222 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.555 5.106 -13.152 1.00 0.00 H new ATOM 724 N SER A 47 11.239 6.140 -10.843 1.00 0.00 N ATOM 725 CA SER A 47 12.423 6.877 -11.282 1.00 0.00 C ATOM 726 C SER A 47 13.699 6.321 -10.604 1.00 0.00 C ATOM 727 O SER A 47 14.604 5.868 -11.304 1.00 0.00 O ATOM 728 CB SER A 47 12.272 8.367 -10.960 1.00 0.00 C ATOM 729 OG SER A 47 12.734 8.662 -9.652 1.00 0.00 O ATOM 0 H SER A 47 11.428 5.393 -10.175 1.00 0.00 H new ATOM 0 HA SER A 47 12.519 6.752 -12.361 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.831 8.957 -11.687 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.225 8.657 -11.052 1.00 0.00 H new ATOM 0 HG SER A 47 12.043 8.423 -8.999 1.00 0.00 H new ATOM 735 N GLY A 48 13.794 6.348 -9.241 1.00 0.00 N ATOM 736 CA GLY A 48 14.989 5.832 -8.597 1.00 0.00 C ATOM 737 C GLY A 48 16.091 6.870 -8.501 1.00 0.00 C ATOM 738 O GLY A 48 17.273 6.527 -8.442 1.00 0.00 O ATOM 0 H GLY A 48 13.078 6.710 -8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.736 5.482 -7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 48 15.354 4.969 -9.154 1.00 0.00 H new ATOM 742 N CYS A 49 15.706 8.142 -8.483 1.00 0.00 N ATOM 743 CA CYS A 49 16.670 9.234 -8.393 1.00 0.00 C ATOM 744 C CYS A 49 15.961 10.561 -8.145 1.00 0.00 C ATOM 745 O CYS A 49 16.350 11.332 -7.267 1.00 0.00 O ATOM 746 CB CYS A 49 17.502 9.316 -9.674 1.00 0.00 C ATOM 747 SG CYS A 49 19.204 9.868 -9.412 1.00 0.00 S ATOM 0 H CYS A 49 14.732 8.443 -8.530 1.00 0.00 H new ATOM 0 HA CYS A 49 17.334 9.034 -7.552 1.00 0.00 H new ATOM 0 HB2 CYS A 49 17.518 8.335 -10.148 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.013 9.998 -10.370 1.00 0.00 H new ATOM 0 HG CYS A 49 19.829 9.904 -10.551 1.00 0.00 H new ATOM 753 N PHE A 50 14.913 10.819 -8.924 1.00 0.00 N ATOM 754 CA PHE A 50 14.139 12.050 -8.792 1.00 0.00 C ATOM 755 C PHE A 50 13.729 12.284 -7.326 1.00 0.00 C ATOM 756 O PHE A 50 13.786 13.418 -6.850 1.00 0.00 O ATOM 757 CB PHE A 50 12.890 11.977 -9.671 1.00 0.00 C ATOM 758 CG PHE A 50 13.139 12.372 -11.099 1.00 0.00 C ATOM 759 CD1 PHE A 50 13.763 11.499 -11.973 1.00 0.00 C ATOM 760 CD2 PHE A 50 12.750 13.618 -11.563 1.00 0.00 C ATOM 761 CE1 PHE A 50 13.995 11.860 -13.287 1.00 0.00 C ATOM 762 CE2 PHE A 50 12.979 13.986 -12.875 1.00 0.00 C ATOM 763 CZ PHE A 50 13.603 13.105 -13.738 1.00 0.00 C ATOM 0 H PHE A 50 14.580 10.190 -9.655 1.00 0.00 H new ATOM 0 HA PHE A 50 14.763 12.883 -9.115 1.00 0.00 H new ATOM 0 HB2 PHE A 50 12.497 10.961 -9.647 1.00 0.00 H new ATOM 0 HB3 PHE A 50 12.121 12.626 -9.251 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.072 10.525 -11.624 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.262 14.309 -10.892 1.00 0.00 H new ATOM 0 HE1 PHE A 50 14.482 11.170 -13.960 1.00 0.00 H new ATOM 0 HE2 PHE A 50 12.671 14.960 -13.225 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.784 13.390 -14.764 1.00 0.00 H new ATOM 773 N SER A 51 13.308 11.211 -6.606 1.00 0.00 N ATOM 774 CA SER A 51 12.897 11.333 -5.207 1.00 0.00 C ATOM 775 C SER A 51 11.416 11.673 -5.099 1.00 0.00 C ATOM 776 O SER A 51 10.990 12.353 -4.164 1.00 0.00 O ATOM 777 CB SER A 51 13.731 12.388 -4.467 1.00 0.00 C ATOM 778 OG SER A 51 13.727 12.153 -3.070 1.00 0.00 O ATOM 0 H SER A 51 13.249 10.264 -6.980 1.00 0.00 H new ATOM 0 HA SER A 51 13.070 10.366 -4.736 1.00 0.00 H new ATOM 0 HB2 SER A 51 14.756 12.372 -4.839 1.00 0.00 H new ATOM 0 HB3 SER A 51 13.332 13.381 -4.673 1.00 0.00 H new ATOM 0 HG SER A 51 12.802 12.106 -2.749 1.00 0.00 H new ATOM 784 N THR A 52 10.628 11.186 -6.055 1.00 0.00 N ATOM 785 CA THR A 52 9.191 11.432 -6.052 1.00 0.00 C ATOM 786 C THR A 52 8.552 10.760 -4.845 1.00 0.00 C ATOM 787 O THR A 52 7.909 11.410 -4.020 1.00 0.00 O ATOM 788 CB THR A 52 8.551 10.922 -7.348 1.00 0.00 C ATOM 789 OG1 THR A 52 9.442 10.071 -8.049 1.00 0.00 O ATOM 790 CG2 THR A 52 8.136 12.036 -8.289 1.00 0.00 C ATOM 0 H THR A 52 10.960 10.622 -6.837 1.00 0.00 H new ATOM 0 HA THR A 52 9.022 12.507 -5.990 1.00 0.00 H new ATOM 0 HB THR A 52 7.657 10.381 -7.036 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.066 9.167 -8.091 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.690 11.607 -9.186 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.408 12.678 -7.794 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.011 12.625 -8.564 1.00 0.00 H new ATOM 798 N PHE A 53 8.749 9.455 -4.748 1.00 0.00 N ATOM 799 CA PHE A 53 8.209 8.678 -3.638 1.00 0.00 C ATOM 800 C PHE A 53 8.956 7.343 -3.481 1.00 0.00 C ATOM 801 O PHE A 53 8.347 6.278 -3.472 1.00 0.00 O ATOM 802 CB PHE A 53 6.704 8.433 -3.840 1.00 0.00 C ATOM 803 CG PHE A 53 6.369 7.446 -4.923 1.00 0.00 C ATOM 804 CD1 PHE A 53 6.262 7.843 -6.248 1.00 0.00 C ATOM 805 CD2 PHE A 53 6.147 6.117 -4.611 1.00 0.00 C ATOM 806 CE1 PHE A 53 5.942 6.928 -7.234 1.00 0.00 C ATOM 807 CE2 PHE A 53 5.830 5.200 -5.587 1.00 0.00 C ATOM 808 CZ PHE A 53 5.726 5.603 -6.901 1.00 0.00 C ATOM 0 H PHE A 53 9.280 8.908 -5.425 1.00 0.00 H new ATOM 0 HA PHE A 53 8.351 9.251 -2.722 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.278 8.080 -2.901 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.223 9.383 -4.071 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.430 8.877 -6.512 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.224 5.793 -3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.861 7.247 -8.263 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.663 4.166 -5.324 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.476 4.886 -7.669 1.00 0.00 H new ATOM 818 N GLN A 54 10.282 7.400 -3.351 1.00 0.00 N ATOM 819 CA GLN A 54 11.083 6.186 -3.200 1.00 0.00 C ATOM 820 C GLN A 54 10.573 5.325 -2.040 1.00 0.00 C ATOM 821 O GLN A 54 10.288 5.840 -0.959 1.00 0.00 O ATOM 822 CB GLN A 54 12.554 6.550 -2.976 1.00 0.00 C ATOM 823 CG GLN A 54 13.459 6.160 -4.134 1.00 0.00 C ATOM 824 CD GLN A 54 13.280 4.715 -4.558 1.00 0.00 C ATOM 825 OE1 GLN A 54 13.876 3.807 -3.977 1.00 0.00 O ATOM 826 NE2 GLN A 54 12.456 4.494 -5.576 1.00 0.00 N ATOM 0 H GLN A 54 10.820 8.267 -3.347 1.00 0.00 H new ATOM 0 HA GLN A 54 10.992 5.606 -4.118 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.633 7.624 -2.810 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.907 6.060 -2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 54 13.255 6.811 -4.984 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.498 6.324 -3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.983 5.276 -6.028 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.296 3.542 -5.905 1.00 0.00 H new ATOM 835 N PRO A 55 10.457 3.996 -2.243 1.00 0.00 N ATOM 836 CA PRO A 55 9.986 3.078 -1.202 1.00 0.00 C ATOM 837 C PRO A 55 11.017 2.878 -0.099 1.00 0.00 C ATOM 838 O PRO A 55 10.699 2.347 0.964 1.00 0.00 O ATOM 839 CB PRO A 55 9.743 1.753 -1.935 1.00 0.00 C ATOM 840 CG PRO A 55 9.930 2.042 -3.390 1.00 0.00 C ATOM 841 CD PRO A 55 10.776 3.280 -3.485 1.00 0.00 C ATOM 0 HA PRO A 55 9.095 3.469 -0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.441 0.987 -1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.739 1.378 -1.738 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.415 1.204 -3.891 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.968 2.193 -3.880 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.837 3.039 -3.551 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.528 3.871 -4.366 1.00 0.00 H new ATOM 849 N THR A 56 12.253 3.307 -0.350 1.00 0.00 N ATOM 850 CA THR A 56 13.320 3.177 0.638 1.00 0.00 C ATOM 851 C THR A 56 12.824 3.657 2.013 1.00 0.00 C ATOM 852 O THR A 56 13.025 2.973 3.015 1.00 0.00 O ATOM 853 CB THR A 56 14.543 3.990 0.209 1.00 0.00 C ATOM 854 OG1 THR A 56 15.056 3.513 -1.022 1.00 0.00 O ATOM 855 CG2 THR A 56 15.671 3.956 1.217 1.00 0.00 C ATOM 0 H THR A 56 12.538 3.746 -1.226 1.00 0.00 H new ATOM 0 HA THR A 56 13.606 2.128 0.709 1.00 0.00 H new ATOM 0 HB THR A 56 14.188 5.017 0.120 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.469 3.798 -1.753 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.506 4.553 0.849 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.323 4.364 2.166 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.998 2.926 1.363 1.00 0.00 H new ATOM 863 N THR A 57 12.160 4.835 2.062 1.00 0.00 N ATOM 864 CA THR A 57 11.645 5.353 3.319 1.00 0.00 C ATOM 865 C THR A 57 10.684 4.359 3.968 1.00 0.00 C ATOM 866 O THR A 57 10.449 4.407 5.175 1.00 0.00 O ATOM 867 CB THR A 57 10.931 6.686 3.085 1.00 0.00 C ATOM 868 OG1 THR A 57 10.376 7.178 4.291 1.00 0.00 O ATOM 869 CG2 THR A 57 9.811 6.596 2.066 1.00 0.00 C ATOM 0 H THR A 57 11.978 5.426 1.251 1.00 0.00 H new ATOM 0 HA THR A 57 12.488 5.508 3.993 1.00 0.00 H new ATOM 0 HB THR A 57 11.697 7.359 2.701 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.926 8.031 4.120 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.347 7.575 1.948 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.216 6.268 1.108 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.064 5.880 2.408 1.00 0.00 H new ATOM 877 N GLY A 58 10.123 3.459 3.159 1.00 0.00 N ATOM 878 CA GLY A 58 9.192 2.476 3.681 1.00 0.00 C ATOM 879 C GLY A 58 7.743 2.766 3.240 1.00 0.00 C ATOM 880 O GLY A 58 7.092 3.591 3.882 1.00 0.00 O ATOM 0 H GLY A 58 10.298 3.395 2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.484 1.483 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.245 2.467 4.770 1.00 0.00 H new ATOM 884 N HIS A 59 7.202 2.137 2.165 1.00 0.00 N ATOM 885 CA HIS A 59 5.834 2.445 1.768 1.00 0.00 C ATOM 886 C HIS A 59 4.832 1.697 2.636 1.00 0.00 C ATOM 887 O HIS A 59 5.080 0.586 3.107 1.00 0.00 O ATOM 888 CB HIS A 59 5.583 2.140 0.280 1.00 0.00 C ATOM 889 CG HIS A 59 5.460 3.374 -0.555 1.00 0.00 C ATOM 890 ND1 HIS A 59 6.263 4.471 -0.346 1.00 0.00 N ATOM 891 CD2 HIS A 59 4.637 3.699 -1.598 1.00 0.00 C ATOM 892 CE1 HIS A 59 5.954 5.413 -1.208 1.00 0.00 C ATOM 893 NE2 HIS A 59 4.972 4.973 -1.978 1.00 0.00 N ATOM 0 H HIS A 59 7.680 1.445 1.589 1.00 0.00 H new ATOM 0 HA HIS A 59 5.694 3.516 1.915 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.400 1.528 -0.103 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.671 1.550 0.184 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.873 3.074 -2.036 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.423 6.384 -1.277 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.534 5.498 -2.734 1.00 0.00 H new ATOM 902 N ARG A 60 3.706 2.351 2.843 1.00 0.00 N ATOM 903 CA ARG A 60 2.609 1.848 3.654 1.00 0.00 C ATOM 904 C ARG A 60 1.414 1.560 2.721 1.00 0.00 C ATOM 905 O ARG A 60 1.453 1.948 1.558 1.00 0.00 O ATOM 906 CB ARG A 60 2.247 2.917 4.691 1.00 0.00 C ATOM 907 CG ARG A 60 1.449 4.069 4.105 1.00 0.00 C ATOM 908 CD ARG A 60 1.796 5.395 4.766 1.00 0.00 C ATOM 909 NE ARG A 60 3.239 5.609 4.839 1.00 0.00 N ATOM 910 CZ ARG A 60 4.005 5.871 3.782 1.00 0.00 C ATOM 911 NH1 ARG A 60 3.468 5.962 2.572 1.00 0.00 N ATOM 912 NH2 ARG A 60 5.310 6.047 3.937 1.00 0.00 N ATOM 0 H ARG A 60 3.522 3.271 2.443 1.00 0.00 H new ATOM 0 HA ARG A 60 2.883 0.930 4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.672 2.456 5.494 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.162 3.306 5.137 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.641 4.136 3.034 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.384 3.871 4.226 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.336 6.210 4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.374 5.420 5.771 1.00 0.00 H new ATOM 0 HE ARG A 60 3.686 5.554 5.754 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.464 5.831 2.448 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.059 6.163 1.765 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.727 5.982 4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.897 6.248 3.128 1.00 0.00 H new ATOM 926 N LEU A 61 0.365 0.894 3.209 1.00 0.00 N ATOM 927 CA LEU A 61 -0.801 0.585 2.365 1.00 0.00 C ATOM 928 C LEU A 61 -2.035 1.338 2.918 1.00 0.00 C ATOM 929 O LEU A 61 -2.040 1.682 4.099 1.00 0.00 O ATOM 930 CB LEU A 61 -1.141 -0.919 2.422 1.00 0.00 C ATOM 931 CG LEU A 61 -0.258 -1.896 1.636 1.00 0.00 C ATOM 932 CD1 LEU A 61 -1.069 -3.052 1.074 1.00 0.00 C ATOM 933 CD2 LEU A 61 0.515 -1.210 0.533 1.00 0.00 C ATOM 0 H LEU A 61 0.294 0.560 4.170 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.563 0.879 1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.124 -1.224 3.468 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.166 -1.041 2.071 1.00 0.00 H new ATOM 0 HG LEU A 61 0.466 -2.296 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.411 -3.724 0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.542 -3.596 1.892 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.837 -2.666 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.125 -1.943 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.182 -0.748 -0.166 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.160 -0.444 0.963 1.00 0.00 H new ATOM 945 N CYS A 62 -3.089 1.604 2.104 1.00 0.00 N ATOM 946 CA CYS A 62 -4.253 2.309 2.623 1.00 0.00 C ATOM 947 C CYS A 62 -5.452 1.317 2.843 1.00 0.00 C ATOM 948 O CYS A 62 -5.283 0.110 2.674 1.00 0.00 O ATOM 949 CB CYS A 62 -4.454 3.669 1.856 1.00 0.00 C ATOM 950 SG CYS A 62 -5.482 3.736 0.386 1.00 0.00 S ATOM 0 H CYS A 62 -3.143 1.344 1.119 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.121 2.673 3.642 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.864 4.384 2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.465 4.030 1.575 1.00 0.00 H new ATOM 955 N SER A 63 -6.574 1.798 3.391 1.00 0.00 N ATOM 956 CA SER A 63 -7.717 0.997 3.845 1.00 0.00 C ATOM 957 C SER A 63 -8.219 -0.217 3.048 1.00 0.00 C ATOM 958 O SER A 63 -7.823 -1.360 3.284 1.00 0.00 O ATOM 959 CB SER A 63 -8.892 1.964 4.121 1.00 0.00 C ATOM 960 OG SER A 63 -9.230 1.976 5.497 1.00 0.00 O ATOM 0 H SER A 63 -6.716 2.798 3.536 1.00 0.00 H new ATOM 0 HA SER A 63 -7.305 0.487 4.715 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.622 2.970 3.801 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.759 1.665 3.533 1.00 0.00 H new ATOM 0 HG SER A 63 -10.068 2.467 5.624 1.00 0.00 H new ATOM 966 N VAL A 64 -9.227 0.060 2.266 1.00 0.00 N ATOM 967 CA VAL A 64 -10.043 -0.942 1.543 1.00 0.00 C ATOM 968 C VAL A 64 -9.339 -1.897 0.584 1.00 0.00 C ATOM 969 O VAL A 64 -9.913 -2.254 -0.447 1.00 0.00 O ATOM 970 CB VAL A 64 -11.152 -0.238 0.769 1.00 0.00 C ATOM 971 CG1 VAL A 64 -12.170 0.380 1.717 1.00 0.00 C ATOM 972 CG2 VAL A 64 -10.529 0.807 -0.117 1.00 0.00 C ATOM 0 H VAL A 64 -9.533 1.018 2.093 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.399 -1.581 2.351 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.688 -0.962 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.950 0.876 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.615 -0.402 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.674 1.109 2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.310 1.320 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.988 1.528 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.837 0.330 -0.811 1.00 0.00 H new ATOM 982 N HIS A 65 -8.134 -2.330 0.888 1.00 0.00 N ATOM 983 CA HIS A 65 -7.457 -3.263 -0.024 1.00 0.00 C ATOM 984 C HIS A 65 -7.524 -4.714 0.455 1.00 0.00 C ATOM 985 O HIS A 65 -6.777 -5.555 -0.044 1.00 0.00 O ATOM 986 CB HIS A 65 -6.000 -2.891 -0.240 1.00 0.00 C ATOM 987 CG HIS A 65 -5.743 -1.448 -0.168 1.00 0.00 C ATOM 988 ND1 HIS A 65 -6.745 -0.516 -0.036 1.00 0.00 N ATOM 989 CD2 HIS A 65 -4.590 -0.787 -0.041 1.00 0.00 C ATOM 990 CE1 HIS A 65 -6.213 0.645 0.196 1.00 0.00 C ATOM 991 NE2 HIS A 65 -4.914 0.497 0.201 1.00 0.00 N ATOM 0 H HIS A 65 -7.609 -2.071 1.723 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.998 -3.181 -0.966 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.390 -3.398 0.508 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.681 -3.260 -1.215 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -7.745 -0.706 -0.109 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.595 -1.200 -0.117 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.748 1.569 0.356 1.00 0.00 H new ATOM 999 N PHE A 66 -8.404 -5.027 1.402 1.00 0.00 N ATOM 1000 CA PHE A 66 -8.507 -6.397 1.889 1.00 0.00 C ATOM 1001 C PHE A 66 -9.982 -6.851 1.905 1.00 0.00 C ATOM 1002 O PHE A 66 -10.873 -6.000 1.907 1.00 0.00 O ATOM 1003 CB PHE A 66 -7.923 -6.504 3.305 1.00 0.00 C ATOM 1004 CG PHE A 66 -6.556 -5.885 3.461 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -6.373 -4.507 3.613 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -5.441 -6.700 3.450 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -5.096 -3.980 3.746 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -4.174 -6.173 3.582 1.00 0.00 C ATOM 1009 CZ PHE A 66 -3.995 -4.823 3.728 1.00 0.00 C ATOM 0 H PHE A 66 -9.044 -4.364 1.840 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.941 -7.043 1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.608 -6.025 4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.866 -7.556 3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.230 -3.850 3.627 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.564 -7.767 3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.960 -2.915 3.863 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.316 -6.829 3.570 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.000 -4.416 3.829 1.00 0.00 H new ATOM 1019 N GLN A 67 -10.270 -8.173 1.954 1.00 0.00 N ATOM 1020 CA GLN A 67 -11.646 -8.621 2.012 1.00 0.00 C ATOM 1021 C GLN A 67 -11.949 -9.122 3.455 1.00 0.00 C ATOM 1022 O GLN A 67 -11.533 -10.241 3.759 1.00 0.00 O ATOM 1023 CB GLN A 67 -11.833 -9.803 1.055 1.00 0.00 C ATOM 1024 CG GLN A 67 -13.070 -9.682 0.177 1.00 0.00 C ATOM 1025 CD GLN A 67 -12.768 -9.903 -1.292 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -13.480 -10.635 -1.979 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -11.708 -9.271 -1.782 1.00 0.00 N ATOM 0 H GLN A 67 -9.573 -8.918 1.954 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.309 -7.801 1.738 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.952 -9.888 0.419 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.897 -10.724 1.635 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.815 -10.407 0.504 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.509 -8.693 0.309 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -11.145 -8.674 -1.176 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -11.456 -9.383 -2.764 1.00 0.00 H new ATOM 1036 N GLY A 68 -12.661 -8.378 4.351 1.00 0.00 N ATOM 1037 CA GLY A 68 -12.925 -8.905 5.692 1.00 0.00 C ATOM 1038 C GLY A 68 -11.769 -9.742 6.270 1.00 0.00 C ATOM 1039 O GLY A 68 -10.680 -9.783 5.699 1.00 0.00 O ATOM 0 H GLY A 68 -13.042 -7.450 4.166 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.130 -8.073 6.365 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.825 -9.519 5.660 1.00 0.00 H new ATOM 1043 N GLY A 69 -12.005 -10.425 7.397 1.00 0.00 N ATOM 1044 CA GLY A 69 -10.975 -11.266 7.992 1.00 0.00 C ATOM 1045 C GLY A 69 -9.897 -10.511 8.777 1.00 0.00 C ATOM 1046 O GLY A 69 -9.895 -10.601 10.002 1.00 0.00 O ATOM 0 H GLY A 69 -12.889 -10.409 7.905 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.453 -11.984 8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.492 -11.839 7.200 1.00 0.00 H new ATOM 1050 N ARG A 70 -8.976 -9.782 8.096 1.00 0.00 N ATOM 1051 CA ARG A 70 -7.891 -9.039 8.766 1.00 0.00 C ATOM 1052 C ARG A 70 -6.579 -9.829 8.714 1.00 0.00 C ATOM 1053 O ARG A 70 -5.756 -9.753 9.625 1.00 0.00 O ATOM 1054 CB ARG A 70 -8.245 -8.683 10.226 1.00 0.00 C ATOM 1055 CG ARG A 70 -7.844 -9.740 11.253 1.00 0.00 C ATOM 1056 CD ARG A 70 -8.694 -9.650 12.511 1.00 0.00 C ATOM 1057 NE ARG A 70 -9.639 -10.758 12.615 1.00 0.00 N ATOM 1058 CZ ARG A 70 -9.306 -11.981 13.022 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -8.052 -12.258 13.362 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -10.229 -12.932 13.091 1.00 0.00 N ATOM 0 H ARG A 70 -8.968 -9.696 7.080 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.762 -8.103 8.223 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.760 -7.742 10.484 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.320 -8.517 10.295 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.947 -10.732 10.814 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.793 -9.615 11.514 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.045 -9.644 13.387 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.240 -8.707 12.512 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.612 -10.585 12.361 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.338 -11.532 13.312 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.803 -13.197 13.673 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.194 -12.726 12.832 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.974 -13.869 13.403 1.00 0.00 H new ATOM 1074 N LYS A 71 -6.396 -10.591 7.638 1.00 0.00 N ATOM 1075 CA LYS A 71 -5.194 -11.407 7.457 1.00 0.00 C ATOM 1076 C LYS A 71 -5.266 -12.668 8.310 1.00 0.00 C ATOM 1077 O LYS A 71 -4.827 -12.689 9.460 1.00 0.00 O ATOM 1078 CB LYS A 71 -3.927 -10.622 7.781 1.00 0.00 C ATOM 1079 CG LYS A 71 -2.953 -10.571 6.613 1.00 0.00 C ATOM 1080 CD LYS A 71 -2.655 -9.141 6.218 1.00 0.00 C ATOM 1081 CE LYS A 71 -3.667 -8.667 5.196 1.00 0.00 C ATOM 1082 NZ LYS A 71 -3.252 -9.027 3.810 1.00 0.00 N ATOM 0 H LYS A 71 -7.068 -10.661 6.874 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.150 -11.694 6.406 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.197 -9.606 8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.434 -11.075 8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.027 -11.078 6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.372 -11.108 5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.685 -8.498 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.648 -9.071 5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.639 -9.110 5.413 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.785 -7.586 5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.803 -8.469 3.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.240 -8.823 3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.423 -10.040 3.648 1.00 0.00 H new ATOM 1096 N THR A 72 -5.828 -13.715 7.725 1.00 0.00 N ATOM 1097 CA THR A 72 -5.980 -14.999 8.393 1.00 0.00 C ATOM 1098 C THR A 72 -6.117 -16.096 7.346 1.00 0.00 C ATOM 1099 O THR A 72 -7.164 -16.733 7.229 1.00 0.00 O ATOM 1100 CB THR A 72 -7.207 -14.981 9.307 1.00 0.00 C ATOM 1101 OG1 THR A 72 -7.568 -16.297 9.689 1.00 0.00 O ATOM 1102 CG2 THR A 72 -8.425 -14.338 8.670 1.00 0.00 C ATOM 0 H THR A 72 -6.192 -13.698 6.772 1.00 0.00 H new ATOM 0 HA THR A 72 -5.100 -15.193 9.007 1.00 0.00 H new ATOM 0 HB THR A 72 -6.912 -14.384 10.170 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.863 -16.798 8.900 1.00 0.00 H new ATOM 0 HG21 THR A 72 -9.257 -14.359 9.373 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.197 -13.305 8.410 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.697 -14.888 7.769 1.00 0.00 H new ATOM 1110 N TYR A 73 -5.060 -16.285 6.565 1.00 0.00 N ATOM 1111 CA TYR A 73 -5.056 -17.275 5.496 1.00 0.00 C ATOM 1112 C TYR A 73 -5.869 -16.745 4.315 1.00 0.00 C ATOM 1113 O TYR A 73 -6.375 -15.623 4.371 1.00 0.00 O ATOM 1114 CB TYR A 73 -5.629 -18.612 5.984 1.00 0.00 C ATOM 1115 CG TYR A 73 -5.118 -19.811 5.216 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -3.771 -19.936 4.901 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -5.984 -20.816 4.807 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -3.303 -21.030 4.198 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -5.524 -21.915 4.106 1.00 0.00 C ATOM 1120 CZ TYR A 73 -4.182 -22.016 3.803 1.00 0.00 C ATOM 1121 OH TYR A 73 -3.720 -23.107 3.104 1.00 0.00 O ATOM 0 H TYR A 73 -4.189 -15.761 6.654 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.028 -17.450 5.180 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.386 -18.737 7.039 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.716 -18.580 5.909 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.079 -19.167 5.210 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.036 -20.738 5.041 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.253 -21.112 3.959 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.211 -22.689 3.798 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.468 -23.708 2.904 1.00 0.00 H new ATOM 1131 N THR A 74 -6.002 -17.538 3.252 1.00 0.00 N ATOM 1132 CA THR A 74 -6.760 -17.129 2.067 1.00 0.00 C ATOM 1133 C THR A 74 -6.092 -15.962 1.338 1.00 0.00 C ATOM 1134 O THR A 74 -5.850 -16.038 0.133 1.00 0.00 O ATOM 1135 CB THR A 74 -8.206 -16.756 2.425 1.00 0.00 C ATOM 1136 OG1 THR A 74 -8.430 -16.840 3.821 1.00 0.00 O ATOM 1137 CG2 THR A 74 -9.230 -17.640 1.748 1.00 0.00 C ATOM 0 H THR A 74 -5.594 -18.470 3.186 1.00 0.00 H new ATOM 0 HA THR A 74 -6.775 -17.989 1.398 1.00 0.00 H new ATOM 0 HB THR A 74 -8.329 -15.732 2.073 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.076 -16.038 4.258 1.00 0.00 H new ATOM 0 HG21 THR A 74 -10.232 -17.326 2.041 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.125 -17.556 0.666 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.072 -18.676 2.048 1.00 0.00 H new ATOM 1145 N VAL A 75 -5.807 -14.874 2.056 1.00 0.00 N ATOM 1146 CA VAL A 75 -5.187 -13.709 1.442 1.00 0.00 C ATOM 1147 C VAL A 75 -3.798 -13.417 2.019 1.00 0.00 C ATOM 1148 O VAL A 75 -3.658 -13.170 3.216 1.00 0.00 O ATOM 1149 CB VAL A 75 -6.052 -12.435 1.604 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -5.888 -11.546 0.385 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -7.523 -12.763 1.827 1.00 0.00 C ATOM 0 H VAL A 75 -5.995 -14.780 3.054 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.096 -13.958 0.385 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.704 -11.908 2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.498 -10.651 0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.841 -11.261 0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.207 -12.087 -0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.090 -11.838 1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.904 -13.324 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.629 -13.361 2.732 1.00 0.00 H new ATOM 1161 N ARG A 76 -2.775 -13.424 1.158 1.00 0.00 N ATOM 1162 CA ARG A 76 -1.409 -13.134 1.589 1.00 0.00 C ATOM 1163 C ARG A 76 -0.995 -11.730 1.134 1.00 0.00 C ATOM 1164 O ARG A 76 -0.409 -10.969 1.903 1.00 0.00 O ATOM 1165 CB ARG A 76 -0.439 -14.197 1.052 1.00 0.00 C ATOM 1166 CG ARG A 76 0.973 -14.080 1.603 1.00 0.00 C ATOM 1167 CD ARG A 76 1.965 -14.855 0.747 1.00 0.00 C ATOM 1168 NE ARG A 76 3.064 -14.015 0.278 1.00 0.00 N ATOM 1169 CZ ARG A 76 3.895 -14.363 -0.703 1.00 0.00 C ATOM 1170 NH1 ARG A 76 3.756 -15.531 -1.317 1.00 0.00 N ATOM 1171 NH2 ARG A 76 4.869 -13.541 -1.069 1.00 0.00 N ATOM 0 H ARG A 76 -2.869 -13.627 0.163 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.371 -13.163 2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.831 -15.186 1.291 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.401 -14.124 -0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.265 -13.031 1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.999 -14.457 2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.367 -15.688 1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.446 -15.283 -0.110 1.00 0.00 H new ATOM 0 HE ARG A 76 3.203 -13.110 0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.010 -16.168 -1.038 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.396 -15.792 -2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.982 -12.643 -0.599 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.506 -13.807 -1.820 1.00 0.00 H new ATOM 1185 N VAL A 77 -1.335 -11.377 -0.111 1.00 0.00 N ATOM 1186 CA VAL A 77 -1.033 -10.053 -0.646 1.00 0.00 C ATOM 1187 C VAL A 77 -2.343 -9.388 -1.078 1.00 0.00 C ATOM 1188 O VAL A 77 -3.112 -9.977 -1.836 1.00 0.00 O ATOM 1189 CB VAL A 77 -0.047 -10.126 -1.859 1.00 0.00 C ATOM 1190 CG1 VAL A 77 0.566 -11.510 -1.990 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -0.726 -9.730 -3.162 1.00 0.00 C ATOM 0 H VAL A 77 -1.820 -11.993 -0.764 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.545 -9.467 0.133 1.00 0.00 H new ATOM 0 HB VAL A 77 0.751 -9.410 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.246 -11.528 -2.842 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.117 -11.752 -1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.224 -12.245 -2.141 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.009 -9.794 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.560 -10.404 -3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.097 -8.708 -3.083 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.640 -8.169 -0.590 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.888 -7.467 -0.928 1.00 0.00 C ATOM 1203 C PRO A 78 -4.065 -7.097 -2.372 1.00 0.00 C ATOM 1204 O PRO A 78 -4.046 -5.901 -2.677 1.00 0.00 O ATOM 1205 CB PRO A 78 -3.775 -6.163 -0.137 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.888 -6.511 0.985 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.839 -7.365 0.361 1.00 0.00 C ATOM 0 HA PRO A 78 -4.732 -8.119 -0.702 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.356 -5.361 -0.745 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.749 -5.822 0.214 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.458 -5.621 1.445 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.425 -7.046 1.768 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.075 -6.773 -0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.327 -7.988 1.095 1.00 0.00 H new ATOM 1215 N THR A 79 -4.332 -8.029 -3.289 1.00 0.00 N ATOM 1216 CA THR A 79 -4.583 -7.496 -4.588 1.00 0.00 C ATOM 1217 C THR A 79 -6.082 -7.492 -4.822 1.00 0.00 C ATOM 1218 O THR A 79 -6.713 -8.495 -5.158 1.00 0.00 O ATOM 1219 CB THR A 79 -3.871 -8.343 -5.654 1.00 0.00 C ATOM 1220 OG1 THR A 79 -3.176 -9.423 -5.055 1.00 0.00 O ATOM 1221 CG2 THR A 79 -2.866 -7.557 -6.468 1.00 0.00 C ATOM 0 H THR A 79 -4.374 -9.041 -3.165 1.00 0.00 H new ATOM 0 HA THR A 79 -4.198 -6.478 -4.657 1.00 0.00 H new ATOM 0 HB THR A 79 -4.662 -8.696 -6.316 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.731 -9.951 -5.750 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.399 -8.214 -7.202 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.373 -6.740 -6.982 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.101 -7.150 -5.807 1.00 0.00 H new ATOM 1229 N ILE A 80 -6.581 -6.276 -4.737 1.00 0.00 N ATOM 1230 CA ILE A 80 -7.948 -5.889 -5.013 1.00 0.00 C ATOM 1231 C ILE A 80 -7.812 -4.730 -5.996 1.00 0.00 C ATOM 1232 O ILE A 80 -6.840 -4.005 -5.863 1.00 0.00 O ATOM 1233 CB ILE A 80 -8.704 -5.525 -3.687 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -9.260 -6.807 -3.034 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -9.831 -4.509 -3.881 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -10.508 -7.346 -3.702 1.00 0.00 C ATOM 0 H ILE A 80 -6.006 -5.482 -4.455 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.555 -6.685 -5.444 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.972 -5.050 -3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.488 -7.577 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.480 -6.603 -1.986 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.307 -4.307 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.421 -3.583 -4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.569 -4.912 -4.575 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.837 -8.248 -3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.297 -6.595 -3.659 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.290 -7.584 -4.743 1.00 0.00 H new ATOM 1248 N PHE A 81 -8.675 -4.542 -6.985 1.00 0.00 N ATOM 1249 CA PHE A 81 -8.483 -3.413 -7.918 1.00 0.00 C ATOM 1250 C PHE A 81 -7.201 -3.597 -8.723 1.00 0.00 C ATOM 1251 O PHE A 81 -6.556 -4.655 -8.573 1.00 0.00 O ATOM 1252 CB PHE A 81 -8.444 -2.029 -7.186 1.00 0.00 C ATOM 1253 CG PHE A 81 -7.573 -1.970 -5.941 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -6.185 -1.830 -6.023 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -8.144 -2.110 -4.683 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -5.397 -1.851 -4.873 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -7.365 -2.117 -3.538 1.00 0.00 C ATOM 1258 CZ PHE A 81 -5.994 -1.997 -3.628 1.00 0.00 C ATOM 1259 OXT PHE A 81 -6.854 -2.680 -9.498 1.00 0.00 O ATOM 0 H PHE A 81 -9.490 -5.127 -7.169 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.344 -3.412 -8.586 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.092 -1.275 -7.890 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.462 -1.756 -6.909 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.717 -1.704 -6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.215 -2.215 -4.596 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.324 -1.754 -4.950 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.833 -2.217 -2.570 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.388 -2.017 -2.734 1.00 0.00 H new TER 1269 PHE A 81 HETATM 1270 ZN ZN A 82 -4.902 2.049 -1.014 1.00 0.00 ZN