USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 772 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 3 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Set 1.2: A 5 ASN : amide:sc= 0.55 K(o=0.55,f=-5.5!) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.288 (180deg=-1.19) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.0269 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.47) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -100:sc= 0 (180deg=-0.661) USER MOD Single : A 20 ASN : amide:sc= -1.09 K(o=-1.1,f=0.56) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 33 THR OG1 : rot 99:sc= 0.717 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.684 K(o=-0.68,f=-0.074) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 47 HIS : no HD1:sc= -0.103 K(o=-0.1,f=-0.74) USER MOD Single : A 50 LYS NZ :NH3+ 145:sc= -0.204 (180deg=-1.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -150:sc= -1.17 USER MOD Single : A 60 HIS : no HD1:sc= -3.72 K(o=-3.7,f=-7.1!) USER MOD Single : A 62 LYS NZ :NH3+ -138:sc= -1.84 (180deg=-4.98!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= -1.09 (180deg=-1.32) USER MOD Single : A 83 SER OG : rot 180:sc= 0.114 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.940 -0.710 7.890 1.00 0.00 N ATOM 2 CA MET A 1 -9.031 -1.196 8.777 1.00 0.00 C ATOM 3 C MET A 1 -9.986 -2.115 8.023 1.00 0.00 C ATOM 4 O MET A 1 -9.937 -2.207 6.796 1.00 0.00 O ATOM 5 CB MET A 1 -9.787 0.016 9.327 1.00 0.00 C ATOM 6 CG MET A 1 -9.234 0.531 10.646 1.00 0.00 C ATOM 7 SD MET A 1 -10.136 1.963 11.266 1.00 0.00 S ATOM 8 CE MET A 1 -11.824 1.373 11.156 1.00 0.00 C ATOM 0 H1 MET A 1 -7.630 0.232 8.205 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.138 -1.371 7.933 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.288 -0.651 6.912 1.00 0.00 H new ATOM 0 HA MET A 1 -8.599 -1.773 9.595 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.754 0.819 8.591 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.835 -0.251 9.461 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.273 -0.267 11.388 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.185 0.796 10.517 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.464 1.980 11.797 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.169 1.447 10.125 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.868 0.333 11.480 1.00 0.00 H new ATOM 20 N LEU A 2 -10.856 -2.794 8.765 1.00 0.00 N ATOM 21 CA LEU A 2 -11.823 -3.706 8.167 1.00 0.00 C ATOM 22 C LEU A 2 -11.120 -4.825 7.406 1.00 0.00 C ATOM 23 O LEU A 2 -9.899 -4.971 7.487 1.00 0.00 O ATOM 24 CB LEU A 2 -12.758 -2.945 7.224 1.00 0.00 C ATOM 25 CG LEU A 2 -13.226 -1.581 7.736 1.00 0.00 C ATOM 26 CD1 LEU A 2 -13.573 -0.664 6.572 1.00 0.00 C ATOM 27 CD2 LEU A 2 -14.419 -1.742 8.664 1.00 0.00 C ATOM 0 H LEU A 2 -10.910 -2.729 9.781 1.00 0.00 H new ATOM 0 HA LEU A 2 -12.409 -4.150 8.972 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -12.250 -2.803 6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -13.634 -3.563 7.029 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.411 -1.126 8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.904 0.301 6.955 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -12.693 -0.523 5.945 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -14.371 -1.113 5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -14.739 -0.762 9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -15.238 -2.218 8.125 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.137 -2.362 9.515 1.00 0.00 H new ATOM 39 N LYS A 3 -11.896 -5.612 6.668 1.00 0.00 N ATOM 40 CA LYS A 3 -11.346 -6.718 5.893 1.00 0.00 C ATOM 41 C LYS A 3 -10.327 -6.216 4.876 1.00 0.00 C ATOM 42 O LYS A 3 -10.356 -5.051 4.477 1.00 0.00 O ATOM 43 CB LYS A 3 -12.469 -7.472 5.177 1.00 0.00 C ATOM 44 CG LYS A 3 -12.232 -8.971 5.085 1.00 0.00 C ATOM 45 CD LYS A 3 -11.687 -9.367 3.723 1.00 0.00 C ATOM 46 CE LYS A 3 -12.670 -9.034 2.611 1.00 0.00 C ATOM 47 NZ LYS A 3 -12.384 -9.804 1.367 1.00 0.00 N ATOM 0 H LYS A 3 -12.907 -5.504 6.590 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.841 -7.396 6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.408 -7.292 5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.583 -7.068 4.171 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -11.531 -9.278 5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.166 -9.500 5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.744 -8.851 3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.472 -10.436 3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.684 -9.250 2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.626 -7.966 2.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.055 -9.524 0.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -11.413 -9.605 1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.484 -10.821 1.558 1.00 0.00 H new ATOM 61 N LEU A 4 -9.425 -7.097 4.461 1.00 0.00 N ATOM 62 CA LEU A 4 -8.395 -6.741 3.492 1.00 0.00 C ATOM 63 C LEU A 4 -8.428 -7.680 2.290 1.00 0.00 C ATOM 64 O LEU A 4 -8.823 -8.840 2.406 1.00 0.00 O ATOM 65 CB LEU A 4 -7.013 -6.779 4.147 1.00 0.00 C ATOM 66 CG LEU A 4 -5.840 -6.492 3.207 1.00 0.00 C ATOM 67 CD1 LEU A 4 -4.766 -5.688 3.923 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.264 -7.792 2.665 1.00 0.00 C ATOM 0 H LEU A 4 -9.386 -8.065 4.781 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.596 -5.728 3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.993 -6.053 4.959 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.867 -7.762 4.595 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.207 -5.901 2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -3.940 -5.494 3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.186 -4.741 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.401 -6.252 4.781 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.431 -7.571 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.912 -8.407 3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.036 -8.330 2.115 1.00 0.00 H new ATOM 80 N ASN A 5 -8.008 -7.171 1.136 1.00 0.00 N ATOM 81 CA ASN A 5 -7.986 -7.963 -0.088 1.00 0.00 C ATOM 82 C ASN A 5 -6.707 -7.706 -0.878 1.00 0.00 C ATOM 83 O ASN A 5 -5.907 -6.842 -0.518 1.00 0.00 O ATOM 84 CB ASN A 5 -9.208 -7.639 -0.951 1.00 0.00 C ATOM 85 CG ASN A 5 -9.796 -8.873 -1.608 1.00 0.00 C ATOM 86 OD1 ASN A 5 -9.089 -9.635 -2.267 1.00 0.00 O ATOM 87 ND2 ASN A 5 -11.096 -9.076 -1.429 1.00 0.00 N ATOM 0 H ASN A 5 -7.678 -6.212 1.023 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.015 -9.017 0.189 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.969 -7.162 -0.334 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.926 -6.921 -1.721 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.547 -9.890 -1.846 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.643 -8.418 -0.875 1.00 0.00 H new ATOM 94 N LEU A 6 -6.521 -8.461 -1.955 1.00 0.00 N ATOM 95 CA LEU A 6 -5.338 -8.313 -2.795 1.00 0.00 C ATOM 96 C LEU A 6 -5.730 -8.129 -4.259 1.00 0.00 C ATOM 97 O LEU A 6 -6.684 -8.742 -4.738 1.00 0.00 O ATOM 98 CB LEU A 6 -4.428 -9.534 -2.649 1.00 0.00 C ATOM 99 CG LEU A 6 -3.960 -9.824 -1.221 1.00 0.00 C ATOM 100 CD1 LEU A 6 -3.611 -11.295 -1.062 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.767 -8.948 -0.866 1.00 0.00 C ATOM 0 H LEU A 6 -7.173 -9.181 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.798 -7.424 -2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.956 -10.409 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.551 -9.393 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.775 -9.591 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.280 -11.482 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.490 -11.903 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.812 -11.556 -1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.446 -9.166 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.948 -9.151 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.052 -7.898 -0.940 1.00 0.00 H new ATOM 113 N LYS A 7 -4.987 -7.281 -4.962 1.00 0.00 N ATOM 114 CA LYS A 7 -5.257 -7.015 -6.371 1.00 0.00 C ATOM 115 C LYS A 7 -4.129 -7.545 -7.251 1.00 0.00 C ATOM 116 O LYS A 7 -3.041 -7.852 -6.766 1.00 0.00 O ATOM 117 CB LYS A 7 -5.439 -5.515 -6.604 1.00 0.00 C ATOM 118 CG LYS A 7 -6.832 -5.011 -6.265 1.00 0.00 C ATOM 119 CD LYS A 7 -7.708 -4.915 -7.504 1.00 0.00 C ATOM 120 CE LYS A 7 -8.646 -6.105 -7.616 1.00 0.00 C ATOM 121 NZ LYS A 7 -9.324 -6.155 -8.942 1.00 0.00 N ATOM 0 H LYS A 7 -4.194 -6.766 -4.580 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.178 -7.531 -6.641 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.709 -4.971 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.224 -5.289 -7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.296 -5.681 -5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.760 -4.031 -5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.290 -3.994 -7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.079 -4.861 -8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.084 -7.026 -7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.396 -6.052 -6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.955 -6.981 -8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.881 -5.288 -9.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.610 -6.232 -9.694 1.00 0.00 H new ATOM 135 N LYS A 8 -4.400 -7.650 -8.548 1.00 0.00 N ATOM 136 CA LYS A 8 -3.411 -8.145 -9.501 1.00 0.00 C ATOM 137 C LYS A 8 -2.114 -7.343 -9.417 1.00 0.00 C ATOM 138 O LYS A 8 -1.034 -7.908 -9.257 1.00 0.00 O ATOM 139 CB LYS A 8 -3.968 -8.087 -10.926 1.00 0.00 C ATOM 140 CG LYS A 8 -4.539 -6.731 -11.309 1.00 0.00 C ATOM 141 CD LYS A 8 -5.421 -6.828 -12.543 1.00 0.00 C ATOM 142 CE LYS A 8 -6.007 -5.476 -12.915 1.00 0.00 C ATOM 143 NZ LYS A 8 -6.080 -5.288 -14.391 1.00 0.00 N ATOM 0 H LYS A 8 -5.297 -7.399 -8.964 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.190 -9.181 -9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.175 -8.347 -11.627 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.747 -8.842 -11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.118 -6.330 -10.477 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.724 -6.031 -11.496 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.838 -7.216 -13.379 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.228 -7.538 -12.360 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.005 -5.383 -12.488 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.399 -4.684 -12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.485 -4.354 -14.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.124 -5.351 -14.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.681 -6.028 -14.806 1.00 0.00 H new ATOM 157 N SER A 9 -2.233 -6.024 -9.529 1.00 0.00 N ATOM 158 CA SER A 9 -1.071 -5.144 -9.470 1.00 0.00 C ATOM 159 C SER A 9 -0.308 -5.328 -8.162 1.00 0.00 C ATOM 160 O SER A 9 0.922 -5.283 -8.138 1.00 0.00 O ATOM 161 CB SER A 9 -1.503 -3.685 -9.622 1.00 0.00 C ATOM 162 OG SER A 9 -1.952 -3.421 -10.940 1.00 0.00 O ATOM 0 H SER A 9 -3.122 -5.541 -9.661 1.00 0.00 H new ATOM 0 HA SER A 9 -0.407 -5.408 -10.293 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.299 -3.462 -8.912 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.667 -3.028 -9.381 1.00 0.00 H new ATOM 0 HG SER A 9 -2.224 -2.482 -11.011 1.00 0.00 H new ATOM 168 N PHE A 10 -1.042 -5.535 -7.077 1.00 0.00 N ATOM 169 CA PHE A 10 -0.431 -5.726 -5.766 1.00 0.00 C ATOM 170 C PHE A 10 0.444 -6.974 -5.748 1.00 0.00 C ATOM 171 O PHE A 10 1.406 -7.060 -4.982 1.00 0.00 O ATOM 172 CB PHE A 10 -1.508 -5.832 -4.688 1.00 0.00 C ATOM 173 CG PHE A 10 -0.975 -5.668 -3.294 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.780 -4.406 -2.756 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.667 -6.777 -2.522 1.00 0.00 C ATOM 176 CE1 PHE A 10 -0.288 -4.254 -1.474 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.174 -6.631 -1.241 1.00 0.00 C ATOM 178 CZ PHE A 10 0.017 -5.367 -0.716 1.00 0.00 C ATOM 0 H PHE A 10 -2.061 -5.575 -7.077 1.00 0.00 H new ATOM 0 HA PHE A 10 0.198 -4.860 -5.559 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.269 -5.073 -4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.999 -6.802 -4.770 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.015 -3.532 -3.345 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.814 -7.767 -2.927 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.142 -3.265 -1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.062 -7.503 -0.650 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.404 -5.250 0.285 1.00 0.00 H new ATOM 188 N GLN A 11 0.106 -7.943 -6.593 1.00 0.00 N ATOM 189 CA GLN A 11 0.861 -9.188 -6.670 1.00 0.00 C ATOM 190 C GLN A 11 2.157 -8.997 -7.454 1.00 0.00 C ATOM 191 O GLN A 11 3.192 -9.564 -7.106 1.00 0.00 O ATOM 192 CB GLN A 11 0.013 -10.282 -7.320 1.00 0.00 C ATOM 193 CG GLN A 11 -1.195 -10.687 -6.492 1.00 0.00 C ATOM 194 CD GLN A 11 -0.812 -11.225 -5.127 1.00 0.00 C ATOM 195 OE1 GLN A 11 -0.776 -12.437 -4.913 1.00 0.00 O ATOM 196 NE2 GLN A 11 -0.526 -10.323 -4.195 1.00 0.00 N ATOM 0 H GLN A 11 -0.686 -7.890 -7.234 1.00 0.00 H new ATOM 0 HA GLN A 11 1.117 -9.490 -5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.326 -9.936 -8.296 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.636 -11.160 -7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.851 -9.826 -6.368 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.763 -11.445 -7.031 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.569 -9.328 -4.418 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.263 -10.625 -3.257 1.00 0.00 H new ATOM 205 N LYS A 12 2.091 -8.200 -8.516 1.00 0.00 N ATOM 206 CA LYS A 12 3.260 -7.941 -9.350 1.00 0.00 C ATOM 207 C LYS A 12 4.047 -6.726 -8.855 1.00 0.00 C ATOM 208 O LYS A 12 5.143 -6.453 -9.337 1.00 0.00 O ATOM 209 CB LYS A 12 2.837 -7.731 -10.805 1.00 0.00 C ATOM 210 CG LYS A 12 1.872 -6.572 -11.000 1.00 0.00 C ATOM 211 CD LYS A 12 0.729 -6.947 -11.932 1.00 0.00 C ATOM 212 CE LYS A 12 1.241 -7.389 -13.294 1.00 0.00 C ATOM 213 NZ LYS A 12 0.141 -7.507 -14.290 1.00 0.00 N ATOM 0 H LYS A 12 1.242 -7.723 -8.819 1.00 0.00 H new ATOM 0 HA LYS A 12 3.911 -8.813 -9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.726 -7.558 -11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.372 -8.645 -11.175 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.470 -6.266 -10.034 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.409 -5.715 -11.408 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.142 -7.750 -11.485 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.062 -6.094 -12.053 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.981 -6.673 -13.653 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.747 -8.349 -13.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.532 -7.810 -15.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.552 -8.208 -13.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.326 -6.585 -14.402 1.00 0.00 H new ATOM 227 N ASP A 13 3.486 -5.999 -7.893 1.00 0.00 N ATOM 228 CA ASP A 13 4.146 -4.819 -7.342 1.00 0.00 C ATOM 229 C ASP A 13 5.019 -5.186 -6.144 1.00 0.00 C ATOM 230 O ASP A 13 5.962 -4.469 -5.808 1.00 0.00 O ATOM 231 CB ASP A 13 3.107 -3.773 -6.931 1.00 0.00 C ATOM 232 CG ASP A 13 2.780 -2.811 -8.057 1.00 0.00 C ATOM 233 OD1 ASP A 13 3.550 -1.850 -8.261 1.00 0.00 O ATOM 234 OD2 ASP A 13 1.753 -3.021 -8.736 1.00 0.00 O ATOM 0 H ASP A 13 2.577 -6.206 -7.479 1.00 0.00 H new ATOM 0 HA ASP A 13 4.788 -4.400 -8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.195 -4.277 -6.611 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.479 -3.212 -6.074 1.00 0.00 H new ATOM 239 N PHE A 14 4.696 -6.305 -5.504 1.00 0.00 N ATOM 240 CA PHE A 14 5.439 -6.775 -4.347 1.00 0.00 C ATOM 241 C PHE A 14 6.574 -7.694 -4.781 1.00 0.00 C ATOM 242 O PHE A 14 7.749 -7.340 -4.676 1.00 0.00 O ATOM 243 CB PHE A 14 4.499 -7.511 -3.386 1.00 0.00 C ATOM 244 CG PHE A 14 5.072 -7.725 -2.015 1.00 0.00 C ATOM 245 CD1 PHE A 14 5.066 -6.704 -1.078 1.00 0.00 C ATOM 246 CD2 PHE A 14 5.610 -8.952 -1.660 1.00 0.00 C ATOM 247 CE1 PHE A 14 5.588 -6.902 0.187 1.00 0.00 C ATOM 248 CE2 PHE A 14 6.134 -9.155 -0.398 1.00 0.00 C ATOM 249 CZ PHE A 14 6.122 -8.129 0.527 1.00 0.00 C ATOM 0 H PHE A 14 3.917 -6.906 -5.773 1.00 0.00 H new ATOM 0 HA PHE A 14 5.869 -5.915 -3.833 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.572 -6.945 -3.297 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.242 -8.479 -3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.649 -5.743 -1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.620 -9.759 -2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.578 -6.098 0.908 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.553 -10.115 -0.135 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.530 -8.286 1.515 1.00 0.00 H new ATOM 259 N ASP A 15 6.217 -8.875 -5.280 1.00 0.00 N ATOM 260 CA ASP A 15 7.206 -9.845 -5.737 1.00 0.00 C ATOM 261 C ASP A 15 8.212 -9.196 -6.681 1.00 0.00 C ATOM 262 O ASP A 15 9.385 -9.570 -6.706 1.00 0.00 O ATOM 263 CB ASP A 15 6.515 -11.017 -6.437 1.00 0.00 C ATOM 264 CG ASP A 15 7.425 -12.222 -6.580 1.00 0.00 C ATOM 265 OD1 ASP A 15 8.296 -12.204 -7.477 1.00 0.00 O ATOM 266 OD2 ASP A 15 7.269 -13.181 -5.796 1.00 0.00 O ATOM 0 H ASP A 15 5.249 -9.182 -5.378 1.00 0.00 H new ATOM 0 HA ASP A 15 7.743 -10.216 -4.864 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.626 -11.301 -5.873 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.178 -10.700 -7.424 1.00 0.00 H new ATOM 271 N LYS A 16 7.749 -8.219 -7.455 1.00 0.00 N ATOM 272 CA LYS A 16 8.616 -7.518 -8.394 1.00 0.00 C ATOM 273 C LYS A 16 9.458 -6.468 -7.676 1.00 0.00 C ATOM 274 O LYS A 16 10.525 -6.087 -8.153 1.00 0.00 O ATOM 275 CB LYS A 16 7.792 -6.860 -9.499 1.00 0.00 C ATOM 276 CG LYS A 16 8.616 -6.443 -10.707 1.00 0.00 C ATOM 277 CD LYS A 16 7.837 -6.613 -12.001 1.00 0.00 C ATOM 278 CE LYS A 16 7.531 -8.076 -12.283 1.00 0.00 C ATOM 279 NZ LYS A 16 6.116 -8.276 -12.703 1.00 0.00 N ATOM 0 H LYS A 16 6.781 -7.896 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 16 9.285 -8.251 -8.844 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.014 -7.552 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.289 -5.983 -9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.920 -5.402 -10.599 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.528 -7.039 -10.750 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.905 -6.051 -11.942 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.410 -6.194 -12.829 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.197 -8.442 -13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.732 -8.668 -11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.558 -8.614 -11.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.724 -7.374 -13.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.077 -8.980 -13.468 1.00 0.00 H new ATOM 293 N LEU A 17 8.977 -6.010 -6.522 1.00 0.00 N ATOM 294 CA LEU A 17 9.694 -5.015 -5.743 1.00 0.00 C ATOM 295 C LEU A 17 10.699 -5.696 -4.827 1.00 0.00 C ATOM 296 O LEU A 17 11.875 -5.335 -4.801 1.00 0.00 O ATOM 297 CB LEU A 17 8.715 -4.175 -4.922 1.00 0.00 C ATOM 298 CG LEU A 17 9.357 -3.274 -3.870 1.00 0.00 C ATOM 299 CD1 LEU A 17 10.286 -2.265 -4.524 1.00 0.00 C ATOM 300 CD2 LEU A 17 8.290 -2.568 -3.046 1.00 0.00 C ATOM 0 H LEU A 17 8.095 -6.314 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 17 10.229 -4.355 -6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.133 -3.554 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.014 -4.845 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 17 9.949 -3.898 -3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.734 -1.632 -3.757 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.072 -2.792 -5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 17 9.719 -1.646 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.768 -1.931 -2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.669 -1.958 -3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.668 -3.309 -2.544 1.00 0.00 H new ATOM 312 N LEU A 18 10.228 -6.692 -4.080 1.00 0.00 N ATOM 313 CA LEU A 18 11.088 -7.432 -3.163 1.00 0.00 C ATOM 314 C LEU A 18 12.357 -7.913 -3.866 1.00 0.00 C ATOM 315 O LEU A 18 13.433 -7.949 -3.269 1.00 0.00 O ATOM 316 CB LEU A 18 10.339 -8.633 -2.581 1.00 0.00 C ATOM 317 CG LEU A 18 9.367 -8.318 -1.441 1.00 0.00 C ATOM 318 CD1 LEU A 18 10.106 -7.722 -0.259 1.00 0.00 C ATOM 319 CD2 LEU A 18 8.268 -7.379 -1.913 1.00 0.00 C ATOM 0 H LEU A 18 9.257 -7.004 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 18 11.371 -6.757 -2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.784 -9.116 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.071 -9.355 -2.221 1.00 0.00 H new ATOM 0 HG LEU A 18 8.904 -9.251 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.398 -7.505 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.852 -8.432 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.600 -6.800 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.589 -7.169 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.711 -6.447 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.715 -7.847 -2.727 1.00 0.00 H new ATOM 331 N LEU A 19 12.221 -8.288 -5.134 1.00 0.00 N ATOM 332 CA LEU A 19 13.353 -8.774 -5.918 1.00 0.00 C ATOM 333 C LEU A 19 14.071 -7.635 -6.646 1.00 0.00 C ATOM 334 O LEU A 19 15.128 -7.841 -7.240 1.00 0.00 O ATOM 335 CB LEU A 19 12.883 -9.819 -6.930 1.00 0.00 C ATOM 336 CG LEU A 19 12.258 -11.075 -6.321 1.00 0.00 C ATOM 337 CD1 LEU A 19 11.417 -11.806 -7.354 1.00 0.00 C ATOM 338 CD2 LEU A 19 13.337 -11.990 -5.765 1.00 0.00 C ATOM 0 H LEU A 19 11.337 -8.265 -5.642 1.00 0.00 H new ATOM 0 HA LEU A 19 14.061 -9.228 -5.225 1.00 0.00 H new ATOM 0 HB2 LEU A 19 12.155 -9.356 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.733 -10.116 -7.544 1.00 0.00 H new ATOM 0 HG LEU A 19 11.607 -10.773 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.980 -12.697 -6.903 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.621 -11.150 -7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 19 12.046 -12.096 -8.196 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.875 -12.879 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 19 14.013 -12.285 -6.567 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.898 -11.464 -4.993 1.00 0.00 H new ATOM 350 N ASN A 20 13.494 -6.436 -6.601 1.00 0.00 N ATOM 351 CA ASN A 20 14.086 -5.279 -7.262 1.00 0.00 C ATOM 352 C ASN A 20 14.964 -4.484 -6.299 1.00 0.00 C ATOM 353 O ASN A 20 15.023 -3.255 -6.365 1.00 0.00 O ATOM 354 CB ASN A 20 12.986 -4.381 -7.834 1.00 0.00 C ATOM 355 CG ASN A 20 12.868 -4.498 -9.341 1.00 0.00 C ATOM 356 OD1 ASN A 20 11.804 -4.815 -9.870 1.00 0.00 O ATOM 357 ND2 ASN A 20 13.968 -4.243 -10.042 1.00 0.00 N ATOM 0 H ASN A 20 12.619 -6.242 -6.114 1.00 0.00 H new ATOM 0 HA ASN A 20 14.715 -5.639 -8.076 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.032 -4.644 -7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.192 -3.344 -7.568 1.00 0.00 H new ATOM 0 HD21 ASN A 20 13.950 -4.307 -11.060 1.00 0.00 H new ATOM 0 HD22 ASN A 20 14.830 -3.983 -9.562 1.00 0.00 H new ATOM 364 N GLY A 21 15.648 -5.191 -5.406 1.00 0.00 N ATOM 365 CA GLY A 21 16.515 -4.532 -4.446 1.00 0.00 C ATOM 366 C GLY A 21 15.752 -3.955 -3.268 1.00 0.00 C ATOM 367 O GLY A 21 16.232 -3.039 -2.600 1.00 0.00 O ATOM 0 H GLY A 21 15.618 -6.208 -5.330 1.00 0.00 H new ATOM 0 HA2 GLY A 21 17.254 -5.245 -4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 21 17.063 -3.733 -4.946 1.00 0.00 H new ATOM 371 N PHE A 22 14.564 -4.493 -3.009 1.00 0.00 N ATOM 372 CA PHE A 22 13.740 -4.026 -1.899 1.00 0.00 C ATOM 373 C PHE A 22 13.898 -4.943 -0.690 1.00 0.00 C ATOM 374 O PHE A 22 13.409 -6.073 -0.688 1.00 0.00 O ATOM 375 CB PHE A 22 12.268 -3.953 -2.317 1.00 0.00 C ATOM 376 CG PHE A 22 11.348 -3.542 -1.203 1.00 0.00 C ATOM 377 CD1 PHE A 22 11.398 -2.261 -0.680 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.431 -4.439 -0.684 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.551 -1.883 0.345 1.00 0.00 C ATOM 380 CE2 PHE A 22 9.580 -4.068 0.341 1.00 0.00 C ATOM 381 CZ PHE A 22 9.640 -2.787 0.855 1.00 0.00 C ATOM 0 H PHE A 22 14.151 -5.251 -3.552 1.00 0.00 H new ATOM 0 HA PHE A 22 14.075 -3.026 -1.623 1.00 0.00 H new ATOM 0 HB2 PHE A 22 12.167 -3.246 -3.140 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.957 -4.927 -2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 22 12.107 -1.549 -1.077 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.379 -5.441 -1.084 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.602 -0.882 0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.870 -4.778 0.739 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.976 -2.493 1.654 1.00 0.00 H new ATOM 391 N ASP A 23 14.584 -4.451 0.337 1.00 0.00 N ATOM 392 CA ASP A 23 14.807 -5.227 1.553 1.00 0.00 C ATOM 393 C ASP A 23 13.492 -5.760 2.111 1.00 0.00 C ATOM 394 O ASP A 23 12.561 -4.999 2.373 1.00 0.00 O ATOM 395 CB ASP A 23 15.511 -4.370 2.607 1.00 0.00 C ATOM 396 CG ASP A 23 16.446 -5.183 3.483 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.968 -6.132 4.140 1.00 0.00 O ATOM 398 OD2 ASP A 23 17.654 -4.869 3.512 1.00 0.00 O ATOM 0 H ASP A 23 14.996 -3.518 0.352 1.00 0.00 H new ATOM 0 HA ASP A 23 15.442 -6.076 1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 23 16.076 -3.581 2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.764 -3.882 3.233 1.00 0.00 H new ATOM 403 N ASP A 24 13.421 -7.077 2.287 1.00 0.00 N ATOM 404 CA ASP A 24 12.220 -7.716 2.811 1.00 0.00 C ATOM 405 C ASP A 24 11.915 -7.236 4.226 1.00 0.00 C ATOM 406 O ASP A 24 10.757 -7.040 4.590 1.00 0.00 O ATOM 407 CB ASP A 24 12.382 -9.237 2.801 1.00 0.00 C ATOM 408 CG ASP A 24 13.609 -9.693 3.566 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.731 -9.530 3.042 1.00 0.00 O ATOM 410 OD2 ASP A 24 13.447 -10.213 4.690 1.00 0.00 O ATOM 0 H ASP A 24 14.182 -7.722 2.074 1.00 0.00 H new ATOM 0 HA ASP A 24 11.385 -7.440 2.168 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.495 -9.697 3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.449 -9.586 1.770 1.00 0.00 H new ATOM 415 N SER A 25 12.964 -7.048 5.022 1.00 0.00 N ATOM 416 CA SER A 25 12.808 -6.593 6.400 1.00 0.00 C ATOM 417 C SER A 25 11.993 -5.304 6.468 1.00 0.00 C ATOM 418 O SER A 25 11.379 -5.000 7.491 1.00 0.00 O ATOM 419 CB SER A 25 14.178 -6.377 7.044 1.00 0.00 C ATOM 420 OG SER A 25 14.051 -5.830 8.346 1.00 0.00 O ATOM 0 H SER A 25 13.931 -7.204 4.736 1.00 0.00 H new ATOM 0 HA SER A 25 12.270 -7.366 6.949 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.712 -7.326 7.096 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.774 -5.709 6.422 1.00 0.00 H new ATOM 0 HG SER A 25 14.941 -5.703 8.736 1.00 0.00 H new ATOM 426 N VAL A 26 11.993 -4.545 5.375 1.00 0.00 N ATOM 427 CA VAL A 26 11.255 -3.290 5.316 1.00 0.00 C ATOM 428 C VAL A 26 9.770 -3.532 5.060 1.00 0.00 C ATOM 429 O VAL A 26 8.918 -2.813 5.577 1.00 0.00 O ATOM 430 CB VAL A 26 11.810 -2.363 4.216 1.00 0.00 C ATOM 431 CG1 VAL A 26 11.125 -1.006 4.262 1.00 0.00 C ATOM 432 CG2 VAL A 26 13.317 -2.213 4.356 1.00 0.00 C ATOM 0 H VAL A 26 12.496 -4.779 4.519 1.00 0.00 H new ATOM 0 HA VAL A 26 11.378 -2.807 6.285 1.00 0.00 H new ATOM 0 HB VAL A 26 11.601 -2.815 3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 26 11.531 -0.367 3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 26 10.054 -1.134 4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 26 11.299 -0.543 5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.692 -1.556 3.571 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.551 -1.785 5.331 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.790 -3.191 4.266 1.00 0.00 H new ATOM 442 N LEU A 27 9.470 -4.549 4.258 1.00 0.00 N ATOM 443 CA LEU A 27 8.090 -4.883 3.932 1.00 0.00 C ATOM 444 C LEU A 27 7.283 -5.168 5.198 1.00 0.00 C ATOM 445 O LEU A 27 6.100 -4.837 5.281 1.00 0.00 O ATOM 446 CB LEU A 27 8.042 -6.089 2.985 1.00 0.00 C ATOM 447 CG LEU A 27 8.072 -7.464 3.662 1.00 0.00 C ATOM 448 CD1 LEU A 27 6.658 -7.959 3.932 1.00 0.00 C ATOM 449 CD2 LEU A 27 8.834 -8.465 2.807 1.00 0.00 C ATOM 0 H LEU A 27 10.165 -5.155 3.822 1.00 0.00 H new ATOM 0 HA LEU A 27 7.642 -4.025 3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.136 -6.020 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.886 -6.023 2.299 1.00 0.00 H new ATOM 0 HG LEU A 27 8.589 -7.364 4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.700 -8.936 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.145 -7.255 4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.115 -8.041 2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.844 -9.435 3.304 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.347 -8.560 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.858 -8.118 2.666 1.00 0.00 H new ATOM 461 N ASN A 28 7.933 -5.787 6.178 1.00 0.00 N ATOM 462 CA ASN A 28 7.280 -6.120 7.440 1.00 0.00 C ATOM 463 C ASN A 28 6.846 -4.862 8.191 1.00 0.00 C ATOM 464 O ASN A 28 6.042 -4.936 9.119 1.00 0.00 O ATOM 465 CB ASN A 28 8.218 -6.952 8.316 1.00 0.00 C ATOM 466 CG ASN A 28 7.476 -7.993 9.131 1.00 0.00 C ATOM 467 OD1 ASN A 28 6.322 -7.793 9.512 1.00 0.00 O ATOM 468 ND2 ASN A 28 8.134 -9.115 9.401 1.00 0.00 N ATOM 0 H ASN A 28 8.912 -6.069 6.123 1.00 0.00 H new ATOM 0 HA ASN A 28 6.388 -6.703 7.211 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.956 -7.447 7.685 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.765 -6.291 8.988 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.684 -9.852 9.944 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.089 -9.239 9.066 1.00 0.00 H new ATOM 475 N GLU A 29 7.385 -3.713 7.795 1.00 0.00 N ATOM 476 CA GLU A 29 7.049 -2.452 8.445 1.00 0.00 C ATOM 477 C GLU A 29 5.850 -1.783 7.774 1.00 0.00 C ATOM 478 O GLU A 29 5.035 -1.142 8.438 1.00 0.00 O ATOM 479 CB GLU A 29 8.252 -1.506 8.419 1.00 0.00 C ATOM 480 CG GLU A 29 9.241 -1.749 9.548 1.00 0.00 C ATOM 481 CD GLU A 29 9.596 -0.481 10.300 1.00 0.00 C ATOM 482 OE1 GLU A 29 8.802 -0.064 11.169 1.00 0.00 O ATOM 483 OE2 GLU A 29 10.667 0.095 10.018 1.00 0.00 O ATOM 0 H GLU A 29 8.054 -3.630 7.030 1.00 0.00 H new ATOM 0 HA GLU A 29 6.783 -2.671 9.479 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.768 -1.614 7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.896 -0.477 8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.819 -2.473 10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.150 -2.191 9.140 1.00 0.00 H new ATOM 490 N VAL A 30 5.758 -1.923 6.457 1.00 0.00 N ATOM 491 CA VAL A 30 4.667 -1.319 5.699 1.00 0.00 C ATOM 492 C VAL A 30 3.468 -2.257 5.564 1.00 0.00 C ATOM 493 O VAL A 30 2.321 -1.810 5.572 1.00 0.00 O ATOM 494 CB VAL A 30 5.136 -0.888 4.295 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.629 -2.085 3.496 1.00 0.00 C ATOM 496 CG2 VAL A 30 4.022 -0.164 3.551 1.00 0.00 C ATOM 0 H VAL A 30 6.425 -2.449 5.892 1.00 0.00 H new ATOM 0 HA VAL A 30 4.353 -0.440 6.262 1.00 0.00 H new ATOM 0 HB VAL A 30 5.969 -0.196 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.954 -1.755 2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.466 -2.551 4.017 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.821 -2.808 3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.376 0.131 2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.164 -0.827 3.446 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.728 0.724 4.111 1.00 0.00 H new ATOM 506 N ILE A 31 3.734 -3.550 5.424 1.00 0.00 N ATOM 507 CA ILE A 31 2.664 -4.530 5.269 1.00 0.00 C ATOM 508 C ILE A 31 1.968 -4.820 6.599 1.00 0.00 C ATOM 509 O ILE A 31 0.744 -4.933 6.651 1.00 0.00 O ATOM 510 CB ILE A 31 3.193 -5.848 4.647 1.00 0.00 C ATOM 511 CG1 ILE A 31 3.102 -5.777 3.121 1.00 0.00 C ATOM 512 CG2 ILE A 31 2.423 -7.057 5.164 1.00 0.00 C ATOM 513 CD1 ILE A 31 3.853 -4.608 2.522 1.00 0.00 C ATOM 0 H ILE A 31 4.675 -3.943 5.414 1.00 0.00 H new ATOM 0 HA ILE A 31 1.932 -4.095 4.589 1.00 0.00 H new ATOM 0 HB ILE A 31 4.235 -5.967 4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.492 -6.703 2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.053 -5.711 2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.820 -7.964 4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.529 -7.120 6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.369 -6.954 4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.744 -4.622 1.438 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.448 -3.675 2.915 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.909 -4.683 2.781 1.00 0.00 H new ATOM 525 N LEU A 32 2.746 -4.951 7.669 1.00 0.00 N ATOM 526 CA LEU A 32 2.175 -5.238 8.980 1.00 0.00 C ATOM 527 C LEU A 32 1.290 -4.090 9.468 1.00 0.00 C ATOM 528 O LEU A 32 0.524 -4.257 10.411 1.00 0.00 O ATOM 529 CB LEU A 32 3.279 -5.547 10.003 1.00 0.00 C ATOM 530 CG LEU A 32 3.762 -4.365 10.848 1.00 0.00 C ATOM 531 CD1 LEU A 32 4.942 -4.780 11.714 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.136 -3.189 9.960 1.00 0.00 C ATOM 0 H LEU A 32 3.762 -4.864 7.655 1.00 0.00 H new ATOM 0 HA LEU A 32 1.546 -6.122 8.878 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.916 -6.324 10.675 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.135 -5.961 9.470 1.00 0.00 H new ATOM 0 HG LEU A 32 2.948 -4.052 11.502 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.274 -3.929 12.309 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.639 -5.590 12.377 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.759 -5.119 11.077 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.477 -2.359 10.579 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.934 -3.486 9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.265 -2.877 9.383 1.00 0.00 H new ATOM 544 N THR A 33 1.396 -2.928 8.823 1.00 0.00 N ATOM 545 CA THR A 33 0.589 -1.772 9.207 1.00 0.00 C ATOM 546 C THR A 33 -0.730 -1.747 8.435 1.00 0.00 C ATOM 547 O THR A 33 -1.717 -1.174 8.894 1.00 0.00 O ATOM 548 CB THR A 33 1.363 -0.472 8.960 1.00 0.00 C ATOM 549 OG1 THR A 33 2.543 -0.434 9.741 1.00 0.00 O ATOM 550 CG2 THR A 33 0.562 0.774 9.281 1.00 0.00 C ATOM 0 H THR A 33 2.027 -2.764 8.039 1.00 0.00 H new ATOM 0 HA THR A 33 0.367 -1.856 10.271 1.00 0.00 H new ATOM 0 HB THR A 33 1.593 -0.473 7.895 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.309 -0.694 9.188 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.169 1.658 9.084 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.332 0.802 8.659 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.272 0.760 10.332 1.00 0.00 H new ATOM 558 N LEU A 34 -0.734 -2.361 7.255 1.00 0.00 N ATOM 559 CA LEU A 34 -1.927 -2.398 6.415 1.00 0.00 C ATOM 560 C LEU A 34 -2.836 -3.568 6.783 1.00 0.00 C ATOM 561 O LEU A 34 -4.061 -3.451 6.735 1.00 0.00 O ATOM 562 CB LEU A 34 -1.526 -2.500 4.942 1.00 0.00 C ATOM 563 CG LEU A 34 -0.664 -1.346 4.423 1.00 0.00 C ATOM 564 CD1 LEU A 34 0.138 -1.785 3.208 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.532 -0.143 4.087 1.00 0.00 C ATOM 0 H LEU A 34 0.075 -2.839 6.859 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.481 -1.474 6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.984 -3.434 4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.432 -2.557 4.338 1.00 0.00 H new ATOM 0 HG LEU A 34 0.035 -1.056 5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.745 -0.952 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.787 -2.616 3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.543 -2.101 2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.903 0.668 3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.254 -0.419 3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.061 0.185 4.982 1.00 0.00 H new ATOM 577 N ARG A 35 -2.233 -4.698 7.138 1.00 0.00 N ATOM 578 CA ARG A 35 -2.995 -5.890 7.502 1.00 0.00 C ATOM 579 C ARG A 35 -3.225 -5.973 9.010 1.00 0.00 C ATOM 580 O ARG A 35 -3.501 -7.049 9.542 1.00 0.00 O ATOM 581 CB ARG A 35 -2.270 -7.148 7.018 1.00 0.00 C ATOM 582 CG ARG A 35 -1.692 -7.019 5.617 1.00 0.00 C ATOM 583 CD ARG A 35 -1.146 -8.346 5.113 1.00 0.00 C ATOM 584 NE ARG A 35 -2.155 -9.112 4.381 1.00 0.00 N ATOM 585 CZ ARG A 35 -2.965 -10.007 4.943 1.00 0.00 C ATOM 586 NH1 ARG A 35 -2.896 -10.256 6.245 1.00 0.00 N ATOM 587 NH2 ARG A 35 -3.849 -10.657 4.198 1.00 0.00 N ATOM 0 H ARG A 35 -1.221 -4.815 7.182 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.968 -5.821 7.016 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.464 -7.383 7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.964 -7.988 7.039 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.464 -6.660 4.936 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.896 -6.274 5.618 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.289 -8.163 4.465 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.787 -8.934 5.957 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.243 -8.950 3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.218 -9.760 6.824 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.521 -10.943 6.667 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.907 -10.471 3.197 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.471 -11.343 4.626 1.00 0.00 H new ATOM 601 N LYS A 36 -3.109 -4.840 9.697 1.00 0.00 N ATOM 602 CA LYS A 36 -3.304 -4.808 11.144 1.00 0.00 C ATOM 603 C LYS A 36 -4.328 -3.754 11.549 1.00 0.00 C ATOM 604 O LYS A 36 -4.371 -3.342 12.709 1.00 0.00 O ATOM 605 CB LYS A 36 -1.982 -4.517 11.843 1.00 0.00 C ATOM 606 CG LYS A 36 -1.268 -5.764 12.334 1.00 0.00 C ATOM 607 CD LYS A 36 -1.517 -5.995 13.815 1.00 0.00 C ATOM 608 CE LYS A 36 -0.368 -5.466 14.658 1.00 0.00 C ATOM 609 NZ LYS A 36 -0.390 -6.021 16.040 1.00 0.00 N ATOM 0 H LYS A 36 -2.883 -3.938 9.279 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.678 -5.786 11.447 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.328 -3.980 11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.166 -3.856 12.690 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.610 -6.629 11.766 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.197 -5.668 12.154 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.444 -5.504 14.111 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.647 -7.061 14.002 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.579 -5.719 14.181 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.422 -4.378 14.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.410 -5.635 16.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.282 -5.758 16.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.313 -7.057 15.999 1.00 0.00 H new ATOM 623 N LYS A 37 -5.143 -3.320 10.595 1.00 0.00 N ATOM 624 CA LYS A 37 -6.167 -2.309 10.859 1.00 0.00 C ATOM 625 C LYS A 37 -5.598 -1.151 11.675 1.00 0.00 C ATOM 626 O LYS A 37 -6.311 -0.513 12.450 1.00 0.00 O ATOM 627 CB LYS A 37 -7.355 -2.935 11.597 1.00 0.00 C ATOM 628 CG LYS A 37 -6.985 -3.571 12.929 1.00 0.00 C ATOM 629 CD LYS A 37 -8.219 -3.963 13.721 1.00 0.00 C ATOM 630 CE LYS A 37 -8.024 -3.726 15.210 1.00 0.00 C ATOM 631 NZ LYS A 37 -7.112 -4.735 15.818 1.00 0.00 N ATOM 0 H LYS A 37 -5.117 -3.651 9.630 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.508 -1.918 9.900 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.109 -2.167 11.769 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.810 -3.692 10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.369 -4.453 12.753 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.384 -2.873 13.512 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.076 -3.389 13.369 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.446 -5.014 13.546 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.618 -2.727 15.369 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.990 -3.760 15.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.005 -4.539 16.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.512 -5.686 15.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.182 -4.685 15.356 1.00 0.00 H new ATOM 645 N GLU A 38 -4.307 -0.887 11.497 1.00 0.00 N ATOM 646 CA GLU A 38 -3.636 0.189 12.217 1.00 0.00 C ATOM 647 C GLU A 38 -3.982 1.548 11.612 1.00 0.00 C ATOM 648 O GLU A 38 -4.207 1.662 10.407 1.00 0.00 O ATOM 649 CB GLU A 38 -2.120 -0.024 12.195 1.00 0.00 C ATOM 650 CG GLU A 38 -1.548 -0.461 13.534 1.00 0.00 C ATOM 651 CD GLU A 38 -0.257 0.255 13.876 1.00 0.00 C ATOM 652 OE1 GLU A 38 0.792 -0.102 13.299 1.00 0.00 O ATOM 653 OE2 GLU A 38 -0.294 1.173 14.722 1.00 0.00 O ATOM 0 H GLU A 38 -3.704 -1.405 10.858 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.983 0.174 13.250 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.878 -0.775 11.443 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.636 0.903 11.887 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.282 -0.273 14.318 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.369 -1.536 13.515 1.00 0.00 H new ATOM 660 N PRO A 39 -4.028 2.600 12.447 1.00 0.00 N ATOM 661 CA PRO A 39 -4.349 3.954 11.990 1.00 0.00 C ATOM 662 C PRO A 39 -3.196 4.601 11.229 1.00 0.00 C ATOM 663 O PRO A 39 -2.049 4.166 11.333 1.00 0.00 O ATOM 664 CB PRO A 39 -4.620 4.707 13.292 1.00 0.00 C ATOM 665 CG PRO A 39 -3.798 4.001 14.312 1.00 0.00 C ATOM 666 CD PRO A 39 -3.775 2.552 13.900 1.00 0.00 C ATOM 0 HA PRO A 39 -5.186 3.962 11.292 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.335 5.756 13.210 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -5.679 4.684 13.551 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.789 4.411 14.351 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.228 4.117 15.307 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.815 2.087 14.125 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -4.539 1.975 14.421 1.00 0.00 H new ATOM 674 N LEU A 40 -3.509 5.640 10.462 1.00 0.00 N ATOM 675 CA LEU A 40 -2.501 6.346 9.682 1.00 0.00 C ATOM 676 C LEU A 40 -2.591 7.852 9.908 1.00 0.00 C ATOM 677 O LEU A 40 -3.641 8.459 9.698 1.00 0.00 O ATOM 678 CB LEU A 40 -2.666 6.031 8.193 1.00 0.00 C ATOM 679 CG LEU A 40 -2.607 4.545 7.836 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.669 4.199 6.803 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.224 4.174 7.322 1.00 0.00 C ATOM 0 H LEU A 40 -4.454 6.012 10.364 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.519 6.007 10.013 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.622 6.432 7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.887 6.554 7.638 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.806 3.968 8.739 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.610 3.137 6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.656 4.426 7.206 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.502 4.785 5.899 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.201 3.113 7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.997 4.761 6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.482 4.382 8.092 1.00 0.00 H new ATOM 693 N ASP A 41 -1.484 8.447 10.340 1.00 0.00 N ATOM 694 CA ASP A 41 -1.436 9.882 10.596 1.00 0.00 C ATOM 695 C ASP A 41 -1.761 10.673 9.330 1.00 0.00 C ATOM 696 O ASP A 41 -1.602 10.171 8.218 1.00 0.00 O ATOM 697 CB ASP A 41 -0.054 10.280 11.119 1.00 0.00 C ATOM 698 CG ASP A 41 0.210 9.753 12.515 1.00 0.00 C ATOM 699 OD1 ASP A 41 0.015 8.539 12.739 1.00 0.00 O ATOM 700 OD2 ASP A 41 0.613 10.553 13.386 1.00 0.00 O ATOM 0 H ASP A 41 -0.608 7.957 10.520 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.186 10.117 11.351 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.711 9.902 10.440 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.031 11.367 11.122 1.00 0.00 H new ATOM 705 N PRO A 42 -2.219 11.928 9.484 1.00 0.00 N ATOM 706 CA PRO A 42 -2.563 12.787 8.347 1.00 0.00 C ATOM 707 C PRO A 42 -1.360 13.077 7.457 1.00 0.00 C ATOM 708 O PRO A 42 -1.509 13.380 6.273 1.00 0.00 O ATOM 709 CB PRO A 42 -3.068 14.079 9.002 1.00 0.00 C ATOM 710 CG PRO A 42 -2.510 14.056 10.384 1.00 0.00 C ATOM 711 CD PRO A 42 -2.436 12.607 10.773 1.00 0.00 C ATOM 0 HA PRO A 42 -3.297 12.315 7.693 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.728 14.958 8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.157 14.114 9.017 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.524 14.520 10.415 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.146 14.613 11.072 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.621 12.418 11.471 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.354 12.272 11.256 1.00 0.00 H new ATOM 719 N GLN A 43 -0.165 12.980 8.033 1.00 0.00 N ATOM 720 CA GLN A 43 1.064 13.229 7.289 1.00 0.00 C ATOM 721 C GLN A 43 1.240 12.211 6.165 1.00 0.00 C ATOM 722 O GLN A 43 1.932 12.474 5.182 1.00 0.00 O ATOM 723 CB GLN A 43 2.270 13.185 8.229 1.00 0.00 C ATOM 724 CG GLN A 43 2.498 11.822 8.864 1.00 0.00 C ATOM 725 CD GLN A 43 3.870 11.254 8.554 1.00 0.00 C ATOM 726 OE1 GLN A 43 4.549 10.724 9.434 1.00 0.00 O ATOM 727 NE2 GLN A 43 4.284 11.366 7.298 1.00 0.00 N ATOM 0 H GLN A 43 -0.023 12.731 9.012 1.00 0.00 H new ATOM 0 HA GLN A 43 0.994 14.222 6.844 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.163 13.472 7.674 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.133 13.925 9.017 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.379 11.905 9.944 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.734 11.129 8.511 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.687 11.813 6.602 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.199 11.005 7.029 1.00 0.00 H new ATOM 736 N PHE A 44 0.610 11.050 6.317 1.00 0.00 N ATOM 737 CA PHE A 44 0.698 9.995 5.313 1.00 0.00 C ATOM 738 C PHE A 44 -0.039 10.381 4.030 1.00 0.00 C ATOM 739 O PHE A 44 0.086 9.705 3.008 1.00 0.00 O ATOM 740 CB PHE A 44 0.129 8.687 5.867 1.00 0.00 C ATOM 741 CG PHE A 44 1.007 8.041 6.901 1.00 0.00 C ATOM 742 CD1 PHE A 44 1.085 8.557 8.184 1.00 0.00 C ATOM 743 CD2 PHE A 44 1.753 6.915 6.588 1.00 0.00 C ATOM 744 CE1 PHE A 44 1.891 7.965 9.136 1.00 0.00 C ATOM 745 CE2 PHE A 44 2.562 6.318 7.537 1.00 0.00 C ATOM 746 CZ PHE A 44 2.630 6.843 8.812 1.00 0.00 C ATOM 0 H PHE A 44 0.033 10.816 7.125 1.00 0.00 H new ATOM 0 HA PHE A 44 1.751 9.856 5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.850 8.883 6.304 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.023 7.989 5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.509 9.433 8.443 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.702 6.500 5.592 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.944 8.378 10.132 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.140 5.442 7.281 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.260 6.377 9.555 1.00 0.00 H new ATOM 756 N GLN A 45 -0.807 11.467 4.085 1.00 0.00 N ATOM 757 CA GLN A 45 -1.556 11.931 2.923 1.00 0.00 C ATOM 758 C GLN A 45 -2.520 10.858 2.428 1.00 0.00 C ATOM 759 O GLN A 45 -2.757 10.728 1.229 1.00 0.00 O ATOM 760 CB GLN A 45 -0.600 12.328 1.797 1.00 0.00 C ATOM 761 CG GLN A 45 0.456 13.334 2.223 1.00 0.00 C ATOM 762 CD GLN A 45 1.344 13.770 1.073 1.00 0.00 C ATOM 763 OE1 GLN A 45 0.879 13.946 -0.053 1.00 0.00 O ATOM 764 NE2 GLN A 45 2.631 13.942 1.351 1.00 0.00 N ATOM 0 H GLN A 45 -0.926 12.040 4.920 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.136 12.803 3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.106 11.433 1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.177 12.746 0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.033 14.209 2.652 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.073 12.897 3.008 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.973 13.785 2.299 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.277 14.231 0.617 1.00 0.00 H new ATOM 773 N ASP A 46 -3.073 10.090 3.361 1.00 0.00 N ATOM 774 CA ASP A 46 -4.011 9.029 3.018 1.00 0.00 C ATOM 775 C ASP A 46 -5.300 9.609 2.443 1.00 0.00 C ATOM 776 O ASP A 46 -6.316 9.695 3.132 1.00 0.00 O ATOM 777 CB ASP A 46 -4.323 8.175 4.248 1.00 0.00 C ATOM 778 CG ASP A 46 -4.933 8.984 5.376 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.212 9.811 5.972 1.00 0.00 O ATOM 780 OD2 ASP A 46 -6.134 8.792 5.662 1.00 0.00 O ATOM 0 H ASP A 46 -2.888 10.183 4.360 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.547 8.399 2.259 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.008 7.375 3.967 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.407 7.701 4.599 1.00 0.00 H new ATOM 785 N HIS A 47 -5.250 10.004 1.175 1.00 0.00 N ATOM 786 CA HIS A 47 -6.413 10.576 0.505 1.00 0.00 C ATOM 787 C HIS A 47 -6.535 10.052 -0.921 1.00 0.00 C ATOM 788 O HIS A 47 -5.692 9.285 -1.386 1.00 0.00 O ATOM 789 CB HIS A 47 -6.320 12.103 0.493 1.00 0.00 C ATOM 790 CG HIS A 47 -6.253 12.711 1.859 1.00 0.00 C ATOM 791 ND1 HIS A 47 -5.065 12.949 2.520 1.00 0.00 N ATOM 792 CD2 HIS A 47 -7.234 13.135 2.690 1.00 0.00 C ATOM 793 CE1 HIS A 47 -5.321 13.491 3.697 1.00 0.00 C ATOM 794 NE2 HIS A 47 -6.629 13.616 3.825 1.00 0.00 N ATOM 0 H HIS A 47 -4.417 9.939 0.590 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.303 10.276 1.059 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -5.436 12.400 -0.071 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -7.185 12.507 -0.033 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -8.296 13.101 2.496 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -4.584 13.783 4.431 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -7.111 14.006 4.635 1.00 0.00 H new ATOM 803 N ALA A 48 -7.592 10.472 -1.610 1.00 0.00 N ATOM 804 CA ALA A 48 -7.826 10.044 -2.985 1.00 0.00 C ATOM 805 C ALA A 48 -6.854 10.723 -3.944 1.00 0.00 C ATOM 806 O ALA A 48 -6.595 11.921 -3.838 1.00 0.00 O ATOM 807 CB ALA A 48 -9.263 10.340 -3.388 1.00 0.00 C ATOM 0 H ALA A 48 -8.299 11.107 -1.239 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.657 8.969 -3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.427 10.017 -4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.944 9.805 -2.726 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.449 11.411 -3.311 1.00 0.00 H new ATOM 813 N LEU A 49 -6.319 9.948 -4.881 1.00 0.00 N ATOM 814 CA LEU A 49 -5.376 10.474 -5.862 1.00 0.00 C ATOM 815 C LEU A 49 -6.098 11.305 -6.916 1.00 0.00 C ATOM 816 O LEU A 49 -7.287 11.597 -6.784 1.00 0.00 O ATOM 817 CB LEU A 49 -4.608 9.332 -6.534 1.00 0.00 C ATOM 818 CG LEU A 49 -4.316 8.128 -5.635 1.00 0.00 C ATOM 819 CD1 LEU A 49 -5.321 7.015 -5.887 1.00 0.00 C ATOM 820 CD2 LEU A 49 -2.896 7.626 -5.858 1.00 0.00 C ATOM 0 H LEU A 49 -6.522 8.954 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.668 11.116 -5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.178 8.991 -7.398 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.662 9.723 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.409 8.446 -4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.096 6.168 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -6.327 7.378 -5.675 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.261 6.700 -6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.707 6.770 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.775 7.327 -6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.188 8.421 -5.624 1.00 0.00 H new ATOM 832 N LYS A 50 -5.374 11.685 -7.964 1.00 0.00 N ATOM 833 CA LYS A 50 -5.947 12.485 -9.040 1.00 0.00 C ATOM 834 C LYS A 50 -5.361 12.083 -10.389 1.00 0.00 C ATOM 835 O LYS A 50 -4.211 11.651 -10.475 1.00 0.00 O ATOM 836 CB LYS A 50 -5.700 13.974 -8.788 1.00 0.00 C ATOM 837 CG LYS A 50 -5.886 14.390 -7.337 1.00 0.00 C ATOM 838 CD LYS A 50 -5.319 15.777 -7.076 1.00 0.00 C ATOM 839 CE LYS A 50 -4.144 15.728 -6.112 1.00 0.00 C ATOM 840 NZ LYS A 50 -3.182 14.648 -6.466 1.00 0.00 N ATOM 0 H LYS A 50 -4.389 11.452 -8.091 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.021 12.301 -9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.686 14.222 -9.100 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.377 14.556 -9.413 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.947 14.377 -7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.396 13.667 -6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.000 16.223 -8.018 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.099 16.419 -6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.629 16.689 -6.117 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -4.512 15.569 -5.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.214 14.961 -6.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.401 13.794 -5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.259 14.434 -7.481 1.00 0.00 H new ATOM 854 N GLY A 51 -6.160 12.233 -11.441 1.00 0.00 N ATOM 855 CA GLY A 51 -5.703 11.885 -12.774 1.00 0.00 C ATOM 856 C GLY A 51 -5.451 10.409 -12.939 1.00 0.00 C ATOM 857 O GLY A 51 -4.490 9.870 -12.390 1.00 0.00 O ATOM 0 H GLY A 51 -7.115 12.589 -11.394 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.447 12.205 -13.503 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.786 12.432 -12.993 1.00 0.00 H new ATOM 861 N LYS A 52 -6.312 9.752 -13.701 1.00 0.00 N ATOM 862 CA LYS A 52 -6.187 8.319 -13.949 1.00 0.00 C ATOM 863 C LYS A 52 -6.479 7.512 -12.684 1.00 0.00 C ATOM 864 O LYS A 52 -7.211 6.524 -12.728 1.00 0.00 O ATOM 865 CB LYS A 52 -4.786 7.983 -14.474 1.00 0.00 C ATOM 866 CG LYS A 52 -4.767 7.579 -15.937 1.00 0.00 C ATOM 867 CD LYS A 52 -4.891 8.787 -16.851 1.00 0.00 C ATOM 868 CE LYS A 52 -4.797 8.392 -18.316 1.00 0.00 C ATOM 869 NZ LYS A 52 -5.826 9.080 -19.144 1.00 0.00 N ATOM 0 H LYS A 52 -7.110 10.189 -14.162 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.923 8.048 -14.706 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.138 8.849 -14.336 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.368 7.173 -13.876 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.840 7.049 -16.157 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.585 6.886 -16.135 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.843 9.286 -16.668 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.105 9.504 -16.616 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.804 8.635 -18.695 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.918 7.313 -18.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.728 8.784 -20.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.774 8.828 -18.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.695 10.109 -19.076 1.00 0.00 H new ATOM 883 N TRP A 53 -5.903 7.934 -11.562 1.00 0.00 N ATOM 884 CA TRP A 53 -6.107 7.241 -10.294 1.00 0.00 C ATOM 885 C TRP A 53 -7.112 7.982 -9.420 1.00 0.00 C ATOM 886 O TRP A 53 -6.999 7.988 -8.194 1.00 0.00 O ATOM 887 CB TRP A 53 -4.780 7.092 -9.551 1.00 0.00 C ATOM 888 CG TRP A 53 -3.688 6.507 -10.395 1.00 0.00 C ATOM 889 CD1 TRP A 53 -2.427 7.000 -10.561 1.00 0.00 C ATOM 890 CD2 TRP A 53 -3.762 5.316 -11.188 1.00 0.00 C ATOM 891 NE1 TRP A 53 -1.711 6.191 -11.410 1.00 0.00 N ATOM 892 CE2 TRP A 53 -2.510 5.151 -11.808 1.00 0.00 C ATOM 893 CE3 TRP A 53 -4.766 4.375 -11.434 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -2.235 4.081 -12.657 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -4.492 3.315 -12.277 1.00 0.00 C ATOM 896 CH2 TRP A 53 -3.236 3.175 -12.880 1.00 0.00 C ATOM 0 H TRP A 53 -5.293 8.750 -11.505 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.507 6.251 -10.513 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.464 8.070 -9.187 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.931 6.460 -8.676 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.047 7.896 -10.093 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.744 6.340 -11.697 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.738 4.475 -10.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.267 3.971 -13.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.260 2.582 -12.474 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.054 2.335 -13.534 1.00 0.00 H new ATOM 907 N LYS A 54 -8.098 8.605 -10.056 1.00 0.00 N ATOM 908 CA LYS A 54 -9.123 9.349 -9.334 1.00 0.00 C ATOM 909 C LYS A 54 -9.957 8.427 -8.448 1.00 0.00 C ATOM 910 O LYS A 54 -10.158 8.712 -7.267 1.00 0.00 O ATOM 911 CB LYS A 54 -10.031 10.094 -10.315 1.00 0.00 C ATOM 912 CG LYS A 54 -10.450 11.471 -9.827 1.00 0.00 C ATOM 913 CD LYS A 54 -11.076 12.292 -10.942 1.00 0.00 C ATOM 914 CE LYS A 54 -11.235 13.749 -10.539 1.00 0.00 C ATOM 915 NZ LYS A 54 -12.204 13.912 -9.420 1.00 0.00 N ATOM 0 H LYS A 54 -8.209 8.609 -11.070 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.620 10.073 -8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.514 10.197 -11.269 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.923 9.495 -10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.161 11.367 -9.008 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.582 11.997 -9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.456 12.226 -11.836 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.050 11.876 -11.199 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.266 14.152 -10.242 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.572 14.329 -11.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.285 14.919 -9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.135 13.551 -9.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.870 13.379 -8.591 1.00 0.00 H new ATOM 929 N PRO A 55 -10.460 7.307 -8.999 1.00 0.00 N ATOM 930 CA PRO A 55 -11.275 6.359 -8.240 1.00 0.00 C ATOM 931 C PRO A 55 -10.438 5.428 -7.367 1.00 0.00 C ATOM 932 O PRO A 55 -10.653 4.216 -7.355 1.00 0.00 O ATOM 933 CB PRO A 55 -11.989 5.570 -9.334 1.00 0.00 C ATOM 934 CG PRO A 55 -11.040 5.581 -10.483 1.00 0.00 C ATOM 935 CD PRO A 55 -10.282 6.882 -10.402 1.00 0.00 C ATOM 0 HA PRO A 55 -11.945 6.862 -7.543 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.208 4.553 -9.010 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.940 6.032 -9.600 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.359 4.732 -10.431 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.576 5.503 -11.429 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.229 6.747 -10.649 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.680 7.621 -11.097 1.00 0.00 H new ATOM 943 N PHE A 56 -9.484 5.997 -6.634 1.00 0.00 N ATOM 944 CA PHE A 56 -8.623 5.211 -5.758 1.00 0.00 C ATOM 945 C PHE A 56 -8.113 6.055 -4.593 1.00 0.00 C ATOM 946 O PHE A 56 -8.490 7.217 -4.446 1.00 0.00 O ATOM 947 CB PHE A 56 -7.445 4.635 -6.544 1.00 0.00 C ATOM 948 CG PHE A 56 -7.859 3.687 -7.632 1.00 0.00 C ATOM 949 CD1 PHE A 56 -8.448 2.472 -7.323 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.659 4.012 -8.964 1.00 0.00 C ATOM 951 CE1 PHE A 56 -8.829 1.597 -8.323 1.00 0.00 C ATOM 952 CE2 PHE A 56 -8.039 3.142 -9.968 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.625 1.933 -9.648 1.00 0.00 C ATOM 0 H PHE A 56 -9.289 6.998 -6.630 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.214 4.389 -5.354 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.876 5.454 -6.984 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.777 4.117 -5.856 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.611 2.205 -6.289 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.201 4.956 -9.220 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -9.286 0.652 -8.069 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -7.878 3.407 -11.002 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.923 1.252 -10.431 1.00 0.00 H new ATOM 963 N ARG A 57 -7.259 5.463 -3.765 1.00 0.00 N ATOM 964 CA ARG A 57 -6.704 6.161 -2.611 1.00 0.00 C ATOM 965 C ARG A 57 -5.213 5.876 -2.460 1.00 0.00 C ATOM 966 O ARG A 57 -4.758 4.756 -2.693 1.00 0.00 O ATOM 967 CB ARG A 57 -7.447 5.752 -1.338 1.00 0.00 C ATOM 968 CG ARG A 57 -7.140 6.639 -0.143 1.00 0.00 C ATOM 969 CD ARG A 57 -8.303 6.680 0.837 1.00 0.00 C ATOM 970 NE ARG A 57 -9.484 7.323 0.263 1.00 0.00 N ATOM 971 CZ ARG A 57 -10.494 6.663 -0.303 1.00 0.00 C ATOM 972 NH1 ARG A 57 -10.474 5.337 -0.385 1.00 0.00 N ATOM 973 NH2 ARG A 57 -11.528 7.333 -0.793 1.00 0.00 N ATOM 0 H ARG A 57 -6.936 4.501 -3.872 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.832 7.232 -2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.520 5.774 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.189 4.722 -1.091 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.248 6.271 0.365 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.917 7.649 -0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.556 5.664 1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.000 7.216 1.736 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.538 8.341 0.298 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.681 4.815 -0.013 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.252 4.841 -0.820 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.549 8.351 -0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.302 6.830 -1.227 1.00 0.00 H new ATOM 987 N GLU A 58 -4.459 6.897 -2.065 1.00 0.00 N ATOM 988 CA GLU A 58 -3.020 6.758 -1.875 1.00 0.00 C ATOM 989 C GLU A 58 -2.668 6.751 -0.391 1.00 0.00 C ATOM 990 O GLU A 58 -3.462 7.178 0.444 1.00 0.00 O ATOM 991 CB GLU A 58 -2.278 7.895 -2.580 1.00 0.00 C ATOM 992 CG GLU A 58 -0.890 7.507 -3.067 1.00 0.00 C ATOM 993 CD GLU A 58 -0.185 8.645 -3.782 1.00 0.00 C ATOM 994 OE1 GLU A 58 0.013 9.707 -3.155 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.166 8.473 -4.967 1.00 0.00 O ATOM 0 H GLU A 58 -4.821 7.830 -1.870 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.711 5.808 -2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.871 8.232 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.191 8.740 -1.897 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.287 7.187 -2.217 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.970 6.654 -3.740 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.472 6.268 -0.072 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.017 6.208 1.311 1.00 0.00 C ATOM 1004 C CYS A 59 0.456 5.818 1.383 1.00 0.00 C ATOM 1005 O CYS A 59 0.802 4.643 1.269 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.858 5.206 2.105 1.00 0.00 C ATOM 1007 SG CYS A 59 -1.716 5.384 3.898 1.00 0.00 S ATOM 0 H CYS A 59 -0.801 5.913 -0.753 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.135 7.200 1.748 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.904 5.320 1.821 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.560 4.195 1.826 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.890 4.227 4.464 1.00 0.00 H new ATOM 1013 N HIS A 60 1.322 6.810 1.572 1.00 0.00 N ATOM 1014 CA HIS A 60 2.755 6.559 1.658 1.00 0.00 C ATOM 1015 C HIS A 60 3.161 6.213 3.090 1.00 0.00 C ATOM 1016 O HIS A 60 3.167 7.070 3.973 1.00 0.00 O ATOM 1017 CB HIS A 60 3.547 7.774 1.157 1.00 0.00 C ATOM 1018 CG HIS A 60 3.476 8.966 2.063 1.00 0.00 C ATOM 1019 ND1 HIS A 60 4.362 9.175 3.098 1.00 0.00 N ATOM 1020 CD2 HIS A 60 2.624 10.016 2.082 1.00 0.00 C ATOM 1021 CE1 HIS A 60 4.057 10.302 3.716 1.00 0.00 C ATOM 1022 NE2 HIS A 60 3.005 10.833 3.118 1.00 0.00 N ATOM 0 H HIS A 60 1.057 7.790 1.668 1.00 0.00 H new ATOM 0 HA HIS A 60 2.988 5.706 1.020 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.591 7.487 1.032 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.174 8.057 0.172 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.797 10.181 1.407 1.00 0.00 H new ATOM 0 HE1 HIS A 60 4.578 10.718 4.565 1.00 0.00 H new ATOM 0 HE2 HIS A 60 2.550 11.707 3.383 1.00 0.00 H new ATOM 1031 N ILE A 61 3.498 4.945 3.309 1.00 0.00 N ATOM 1032 CA ILE A 61 3.905 4.479 4.630 1.00 0.00 C ATOM 1033 C ILE A 61 5.341 4.889 4.931 1.00 0.00 C ATOM 1034 O ILE A 61 5.701 5.136 6.082 1.00 0.00 O ATOM 1035 CB ILE A 61 3.779 2.946 4.744 1.00 0.00 C ATOM 1036 CG1 ILE A 61 2.372 2.499 4.343 1.00 0.00 C ATOM 1037 CG2 ILE A 61 4.103 2.488 6.160 1.00 0.00 C ATOM 1038 CD1 ILE A 61 2.236 2.170 2.873 1.00 0.00 C ATOM 0 H ILE A 61 3.497 4.223 2.589 1.00 0.00 H new ATOM 0 HA ILE A 61 3.238 4.943 5.357 1.00 0.00 H new ATOM 0 HB ILE A 61 4.496 2.486 4.064 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.098 1.622 4.930 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.663 3.287 4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.009 1.404 6.222 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.123 2.779 6.412 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.409 2.953 6.860 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.212 1.861 2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.478 3.051 2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.919 1.360 2.617 1.00 0.00 H new ATOM 1050 N LYS A 62 6.158 4.957 3.886 1.00 0.00 N ATOM 1051 CA LYS A 62 7.559 5.336 4.028 1.00 0.00 C ATOM 1052 C LYS A 62 7.902 6.467 3.062 1.00 0.00 C ATOM 1053 O LYS A 62 7.181 6.701 2.091 1.00 0.00 O ATOM 1054 CB LYS A 62 8.459 4.126 3.761 1.00 0.00 C ATOM 1055 CG LYS A 62 7.967 2.841 4.409 1.00 0.00 C ATOM 1056 CD LYS A 62 8.413 2.743 5.860 1.00 0.00 C ATOM 1057 CE LYS A 62 8.310 1.319 6.376 1.00 0.00 C ATOM 1058 NZ LYS A 62 9.633 0.634 6.391 1.00 0.00 N ATOM 0 H LYS A 62 5.873 4.754 2.928 1.00 0.00 H new ATOM 0 HA LYS A 62 7.726 5.684 5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.536 3.973 2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.463 4.344 4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.879 2.800 4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.345 1.983 3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.442 3.091 5.950 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.799 3.400 6.476 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.895 1.328 7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.617 0.756 5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.523 -0.341 6.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.296 1.146 5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.005 0.619 7.362 1.00 0.00 H new ATOM 1072 N PRO A 63 9.010 7.190 3.308 1.00 0.00 N ATOM 1073 CA PRO A 63 9.432 8.300 2.442 1.00 0.00 C ATOM 1074 C PRO A 63 9.769 7.847 1.024 1.00 0.00 C ATOM 1075 O PRO A 63 10.027 8.670 0.145 1.00 0.00 O ATOM 1076 CB PRO A 63 10.675 8.858 3.141 1.00 0.00 C ATOM 1077 CG PRO A 63 11.159 7.752 4.016 1.00 0.00 C ATOM 1078 CD PRO A 63 9.934 6.993 4.439 1.00 0.00 C ATOM 0 HA PRO A 63 8.636 9.034 2.317 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.436 9.150 2.418 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.433 9.746 3.725 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.853 7.105 3.479 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.693 8.144 4.881 1.00 0.00 H new ATOM 0 HD2 PRO A 63 10.151 5.937 4.603 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.520 7.382 5.370 1.00 0.00 H new ATOM 1086 N ASP A 64 9.758 6.540 0.810 1.00 0.00 N ATOM 1087 CA ASP A 64 10.052 5.973 -0.500 1.00 0.00 C ATOM 1088 C ASP A 64 9.057 4.867 -0.845 1.00 0.00 C ATOM 1089 O ASP A 64 9.364 3.964 -1.625 1.00 0.00 O ATOM 1090 CB ASP A 64 11.480 5.423 -0.531 1.00 0.00 C ATOM 1091 CG ASP A 64 12.191 5.737 -1.831 1.00 0.00 C ATOM 1092 OD1 ASP A 64 12.340 6.936 -2.152 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.601 4.787 -2.531 1.00 0.00 O ATOM 0 H ASP A 64 9.548 5.848 1.530 1.00 0.00 H new ATOM 0 HA ASP A 64 9.961 6.765 -1.244 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.046 5.843 0.300 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.454 4.343 -0.386 1.00 0.00 H new ATOM 1098 N VAL A 65 7.865 4.945 -0.259 1.00 0.00 N ATOM 1099 CA VAL A 65 6.826 3.951 -0.504 1.00 0.00 C ATOM 1100 C VAL A 65 5.463 4.613 -0.686 1.00 0.00 C ATOM 1101 O VAL A 65 5.170 5.637 -0.070 1.00 0.00 O ATOM 1102 CB VAL A 65 6.735 2.934 0.650 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.682 1.875 0.356 1.00 0.00 C ATOM 1104 CG2 VAL A 65 8.088 2.290 0.899 1.00 0.00 C ATOM 0 H VAL A 65 7.596 5.686 0.388 1.00 0.00 H new ATOM 0 HA VAL A 65 7.101 3.428 -1.420 1.00 0.00 H new ATOM 0 HB VAL A 65 6.436 3.467 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.636 1.168 1.184 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.710 2.353 0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.945 1.345 -0.559 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.005 1.575 1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.417 1.774 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.814 3.059 1.162 1.00 0.00 H new ATOM 1114 N LEU A 66 4.635 4.013 -1.533 1.00 0.00 N ATOM 1115 CA LEU A 66 3.297 4.531 -1.797 1.00 0.00 C ATOM 1116 C LEU A 66 2.309 3.390 -2.010 1.00 0.00 C ATOM 1117 O LEU A 66 2.279 2.771 -3.074 1.00 0.00 O ATOM 1118 CB LEU A 66 3.305 5.444 -3.027 1.00 0.00 C ATOM 1119 CG LEU A 66 4.580 6.267 -3.223 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.595 6.907 -4.602 1.00 0.00 C ATOM 1121 CD2 LEU A 66 4.701 7.329 -2.142 1.00 0.00 C ATOM 0 H LEU A 66 4.867 3.165 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 66 2.984 5.110 -0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.148 4.831 -3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.459 6.127 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 66 5.436 5.597 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.509 7.488 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.556 6.129 -5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.731 7.563 -4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.614 7.904 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.840 7.995 -2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.737 6.850 -1.164 1.00 0.00 H new ATOM 1133 N LEU A 67 1.501 3.113 -0.990 1.00 0.00 N ATOM 1134 CA LEU A 67 0.515 2.041 -1.069 1.00 0.00 C ATOM 1135 C LEU A 67 -0.831 2.571 -1.548 1.00 0.00 C ATOM 1136 O LEU A 67 -1.344 3.559 -1.023 1.00 0.00 O ATOM 1137 CB LEU A 67 0.348 1.364 0.297 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.630 0.179 0.333 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -2.070 0.659 0.234 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.316 -0.813 -0.778 1.00 0.00 C ATOM 0 H LEU A 67 1.510 3.615 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 67 0.877 1.308 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.325 1.016 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.012 2.112 1.015 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.508 -0.329 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.742 -0.199 0.262 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.291 1.321 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.210 1.199 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.020 -1.644 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.401 -0.316 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.699 -1.191 -0.652 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.405 1.891 -2.531 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.704 2.271 -3.067 1.00 0.00 C ATOM 1154 C VAL A 68 -3.749 1.240 -2.667 1.00 0.00 C ATOM 1155 O VAL A 68 -3.669 0.077 -3.058 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.666 2.410 -4.603 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -4.059 2.690 -5.160 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.696 3.506 -5.005 1.00 0.00 C ATOM 0 H VAL A 68 -0.990 1.071 -2.974 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.968 3.243 -2.650 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.321 1.467 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.005 2.784 -6.245 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.727 1.869 -4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.441 3.618 -4.734 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.677 3.595 -6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.015 4.452 -4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.698 3.259 -4.644 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.716 1.670 -1.869 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.766 0.776 -1.398 1.00 0.00 C ATOM 1170 C TYR A 69 -7.152 1.360 -1.665 1.00 0.00 C ATOM 1171 O TYR A 69 -7.331 2.579 -1.682 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.585 0.495 0.096 1.00 0.00 C ATOM 1173 CG TYR A 69 -5.894 1.683 0.983 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -7.202 1.988 1.337 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -4.876 2.497 1.464 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -7.487 3.072 2.146 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -5.154 3.583 2.273 1.00 0.00 C ATOM 1178 CZ TYR A 69 -6.461 3.866 2.610 1.00 0.00 C ATOM 1179 OH TYR A 69 -6.741 4.947 3.415 1.00 0.00 O ATOM 0 H TYR A 69 -4.796 2.630 -1.534 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.687 -0.161 -1.949 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.230 -0.337 0.381 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.558 0.177 0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.009 1.369 0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.851 2.278 1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -8.509 3.296 2.413 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -4.352 4.207 2.639 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.906 5.400 3.656 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.127 0.481 -1.872 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.498 0.902 -2.139 1.00 0.00 C ATOM 1191 C LEU A 70 -10.424 0.491 -0.999 1.00 0.00 C ATOM 1192 O LEU A 70 -10.141 -0.460 -0.269 1.00 0.00 O ATOM 1193 CB LEU A 70 -9.988 0.297 -3.459 1.00 0.00 C ATOM 1194 CG LEU A 70 -10.588 1.296 -4.449 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.761 0.653 -5.816 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.918 1.823 -3.935 1.00 0.00 C ATOM 0 H LEU A 70 -7.993 -0.530 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.513 1.989 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.152 -0.210 -3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.736 -0.464 -3.236 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.901 2.136 -4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.189 1.378 -6.508 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.791 0.325 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.427 -0.206 -5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.330 2.533 -4.653 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.613 0.993 -3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -11.766 2.322 -2.978 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.530 1.212 -0.850 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.497 0.922 0.203 1.00 0.00 C ATOM 1210 C VAL A 71 -13.761 0.288 -0.369 1.00 0.00 C ATOM 1211 O VAL A 71 -14.348 0.798 -1.323 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.881 2.195 0.978 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.731 1.848 2.191 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.637 2.964 1.394 1.00 0.00 C ATOM 0 H VAL A 71 -11.779 2.002 -1.445 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.019 0.220 0.886 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.471 2.832 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.992 2.761 2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.642 1.345 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.169 1.189 2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.929 3.861 1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.017 2.335 2.033 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.071 3.248 0.507 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.176 -0.826 0.226 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.373 -1.533 -0.217 1.00 0.00 C ATOM 1226 C LYS A 72 -16.387 -1.645 0.918 1.00 0.00 C ATOM 1227 O LYS A 72 -16.097 -1.284 2.058 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.004 -2.927 -0.731 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.730 -3.319 -2.009 1.00 0.00 C ATOM 1230 CD LYS A 72 -15.340 -2.416 -3.169 1.00 0.00 C ATOM 1231 CE LYS A 72 -14.230 -3.028 -4.007 1.00 0.00 C ATOM 1232 NZ LYS A 72 -12.956 -2.270 -3.879 1.00 0.00 N ATOM 0 H LYS A 72 -13.700 -1.259 1.017 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.826 -0.963 -1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.929 -2.967 -0.907 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.227 -3.661 0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.498 -4.354 -2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -16.807 -3.264 -1.849 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.212 -2.233 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.015 -1.449 -2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.070 -4.061 -3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.535 -3.051 -5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -12.259 -2.646 -4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.128 -1.265 -4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.589 -2.369 -2.911 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.577 -2.146 0.600 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.631 -2.301 1.597 1.00 0.00 C ATOM 1248 C ASP A 73 -18.158 -3.164 2.762 1.00 0.00 C ATOM 1249 O ASP A 73 -18.104 -4.390 2.660 1.00 0.00 O ATOM 1250 CB ASP A 73 -19.875 -2.922 0.962 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.375 -2.131 -0.230 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -21.000 -1.069 -0.017 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -20.143 -2.571 -1.374 1.00 0.00 O ATOM 0 H ASP A 73 -17.835 -2.451 -0.338 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.881 -1.311 1.980 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -19.649 -3.941 0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.666 -2.987 1.709 1.00 0.00 H new ATOM 1258 N ASP A 74 -17.815 -2.513 3.869 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.346 -3.215 5.060 1.00 0.00 C ATOM 1260 C ASP A 74 -16.158 -4.119 4.735 1.00 0.00 C ATOM 1261 O ASP A 74 -15.889 -5.086 5.449 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.483 -4.043 5.669 1.00 0.00 C ATOM 1263 CG ASP A 74 -18.875 -3.558 7.050 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -18.694 -2.354 7.331 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -19.364 -4.382 7.851 1.00 0.00 O ATOM 0 H ASP A 74 -17.853 -1.498 3.967 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.019 -2.469 5.784 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.352 -4.001 5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.177 -5.088 5.727 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.448 -3.798 3.657 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.291 -4.582 3.241 1.00 0.00 C ATOM 1272 C GLU A 75 -13.273 -3.708 2.513 1.00 0.00 C ATOM 1273 O GLU A 75 -13.632 -2.920 1.640 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.727 -5.735 2.334 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.256 -6.942 3.090 1.00 0.00 C ATOM 1276 CD GLU A 75 -15.977 -7.925 2.188 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -15.423 -8.271 1.123 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -17.097 -8.348 2.547 1.00 0.00 O ATOM 0 H GLU A 75 -15.654 -3.000 3.056 1.00 0.00 H new ATOM 0 HA GLU A 75 -13.821 -4.989 4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.499 -5.377 1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -13.880 -6.044 1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -14.427 -7.449 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -15.936 -6.606 3.873 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.003 -3.855 2.878 1.00 0.00 N ATOM 1286 CA LEU A 76 -10.936 -3.080 2.256 1.00 0.00 C ATOM 1287 C LEU A 76 -10.132 -3.945 1.290 1.00 0.00 C ATOM 1288 O LEU A 76 -10.043 -5.161 1.459 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.010 -2.493 3.324 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.189 -1.282 2.874 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -10.014 -0.010 2.978 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.918 -1.166 3.701 1.00 0.00 C ATOM 0 H LEU A 76 -11.688 -4.503 3.600 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.393 -2.264 1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.611 -2.205 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.326 -3.273 3.659 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.909 -1.423 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.414 0.840 2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.896 -0.095 2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.325 0.138 4.012 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.345 -0.300 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.178 -1.047 4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.318 -2.068 3.575 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.553 -3.312 0.275 1.00 0.00 N ATOM 1305 CA ILE A 77 -8.763 -4.030 -0.716 1.00 0.00 C ATOM 1306 C ILE A 77 -7.494 -3.263 -1.080 1.00 0.00 C ATOM 1307 O ILE A 77 -7.502 -2.037 -1.171 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.580 -4.294 -1.998 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -9.844 -2.986 -2.750 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -10.893 -4.980 -1.652 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -8.743 -2.619 -3.723 1.00 0.00 C ATOM 0 H ILE A 77 -9.616 -2.306 0.118 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.485 -4.983 -0.266 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.001 -4.951 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.785 -3.071 -3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -9.965 -2.178 -2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.461 -5.161 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.688 -5.930 -1.158 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.472 -4.342 -0.985 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.995 -1.683 -4.221 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.804 -2.502 -3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.637 -3.408 -4.467 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.409 -4.000 -1.298 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.135 -3.392 -1.664 1.00 0.00 C ATOM 1325 C LEU A 78 -4.977 -3.359 -3.180 1.00 0.00 C ATOM 1326 O LEU A 78 -5.047 -4.393 -3.843 1.00 0.00 O ATOM 1327 CB LEU A 78 -3.975 -4.166 -1.033 1.00 0.00 C ATOM 1328 CG LEU A 78 -3.906 -4.097 0.493 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -2.988 -5.182 1.035 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -3.434 -2.723 0.943 1.00 0.00 C ATOM 0 H LEU A 78 -6.387 -5.017 -1.228 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.121 -2.369 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.051 -5.212 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.039 -3.785 -1.442 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.907 -4.264 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.951 -5.118 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.369 -6.160 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.985 -5.047 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.391 -2.692 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.443 -2.527 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.130 -1.964 0.586 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.766 -2.166 -3.726 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.607 -2.004 -5.165 1.00 0.00 C ATOM 1344 C LEU A 79 -3.211 -2.431 -5.615 1.00 0.00 C ATOM 1345 O LEU A 79 -3.066 -3.345 -6.424 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.879 -0.554 -5.576 1.00 0.00 C ATOM 1347 CG LEU A 79 -6.030 -0.371 -6.567 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -7.297 0.060 -5.843 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -5.659 0.641 -7.641 1.00 0.00 C ATOM 0 H LEU A 79 -4.701 -1.298 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.334 -2.649 -5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.094 0.028 -4.680 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.971 -0.140 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.219 -1.330 -7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.104 0.185 -6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.576 -0.701 -5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.119 1.005 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.491 0.756 -8.335 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.439 1.602 -7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.780 0.291 -8.183 1.00 0.00 H new ATOM 1361 N ARG A 80 -2.187 -1.766 -5.088 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.810 -2.092 -5.447 1.00 0.00 C ATOM 1363 C ARG A 80 0.191 -1.304 -4.610 1.00 0.00 C ATOM 1364 O ARG A 80 -0.167 -0.344 -3.929 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.570 -1.819 -6.931 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.754 -0.360 -7.318 1.00 0.00 C ATOM 1367 CD ARG A 80 -2.078 -0.134 -8.026 1.00 0.00 C ATOM 1368 NE ARG A 80 -2.469 1.274 -8.024 1.00 0.00 N ATOM 1369 CZ ARG A 80 -1.999 2.178 -8.880 1.00 0.00 C ATOM 1370 NH1 ARG A 80 -1.117 1.829 -9.810 1.00 0.00 N ATOM 1371 NH2 ARG A 80 -2.411 3.438 -8.809 1.00 0.00 N ATOM 0 H ARG A 80 -2.283 -1.004 -4.416 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.661 -3.152 -5.244 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.442 -2.130 -7.190 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.253 -2.432 -7.520 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.707 0.263 -6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.064 -0.049 -7.967 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.004 -0.488 -9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.854 -0.726 -7.541 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.143 1.583 -7.324 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.796 0.863 -9.871 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.761 2.527 -10.463 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.088 3.714 -8.098 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -2.050 4.130 -9.465 1.00 0.00 H new ATOM 1385 N LEU A 81 1.452 -1.723 -4.674 1.00 0.00 N ATOM 1386 CA LEU A 81 2.523 -1.068 -3.931 1.00 0.00 C ATOM 1387 C LEU A 81 3.550 -0.468 -4.887 1.00 0.00 C ATOM 1388 O LEU A 81 3.845 -1.043 -5.935 1.00 0.00 O ATOM 1389 CB LEU A 81 3.203 -2.072 -2.996 1.00 0.00 C ATOM 1390 CG LEU A 81 4.129 -1.464 -1.941 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.401 -0.930 -2.585 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.412 -0.362 -1.174 1.00 0.00 C ATOM 0 H LEU A 81 1.757 -2.517 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 81 2.090 -0.263 -3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.431 -2.650 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.779 -2.773 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 81 4.408 -2.248 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.046 -0.502 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.925 -1.744 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.145 -0.161 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.086 0.059 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.102 0.421 -1.866 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.534 -0.776 -0.678 1.00 0.00 H new ATOM 1404 N GLY A 82 4.094 0.689 -4.524 1.00 0.00 N ATOM 1405 CA GLY A 82 5.081 1.335 -5.369 1.00 0.00 C ATOM 1406 C GLY A 82 5.830 2.443 -4.657 1.00 0.00 C ATOM 1407 O GLY A 82 5.779 2.551 -3.432 1.00 0.00 O ATOM 0 H GLY A 82 3.870 1.189 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.794 0.590 -5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.586 1.745 -6.249 1.00 0.00 H new ATOM 1411 N SER A 83 6.528 3.269 -5.430 1.00 0.00 N ATOM 1412 CA SER A 83 7.295 4.376 -4.876 1.00 0.00 C ATOM 1413 C SER A 83 7.143 5.625 -5.738 1.00 0.00 C ATOM 1414 O SER A 83 6.426 5.616 -6.739 1.00 0.00 O ATOM 1415 CB SER A 83 8.772 3.996 -4.765 1.00 0.00 C ATOM 1416 OG SER A 83 9.430 4.136 -6.013 1.00 0.00 O ATOM 0 H SER A 83 6.577 3.191 -6.446 1.00 0.00 H new ATOM 0 HA SER A 83 6.908 4.592 -3.880 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.258 4.627 -4.021 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.861 2.967 -4.417 1.00 0.00 H new ATOM 0 HG SER A 83 10.373 3.889 -5.915 1.00 0.00 H new ATOM 1422 N HIS A 84 7.819 6.696 -5.343 1.00 0.00 N ATOM 1423 CA HIS A 84 7.758 7.955 -6.077 1.00 0.00 C ATOM 1424 C HIS A 84 8.318 7.798 -7.490 1.00 0.00 C ATOM 1425 O HIS A 84 7.987 8.573 -8.387 1.00 0.00 O ATOM 1426 CB HIS A 84 8.533 9.041 -5.330 1.00 0.00 C ATOM 1427 CG HIS A 84 8.093 10.431 -5.670 1.00 0.00 C ATOM 1428 ND1 HIS A 84 8.775 11.241 -6.554 1.00 0.00 N ATOM 1429 CD2 HIS A 84 7.034 11.156 -5.238 1.00 0.00 C ATOM 1430 CE1 HIS A 84 8.156 12.404 -6.650 1.00 0.00 C ATOM 1431 NE2 HIS A 84 7.096 12.378 -5.863 1.00 0.00 N ATOM 0 H HIS A 84 8.417 6.719 -4.517 1.00 0.00 H new ATOM 0 HA HIS A 84 6.711 8.248 -6.154 1.00 0.00 H new ATOM 0 HB2 HIS A 84 8.419 8.885 -4.257 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.594 8.939 -5.556 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.281 10.834 -4.534 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.464 13.235 -7.267 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.431 13.141 -5.739 1.00 0.00 H new ATOM 1440 N SER A 85 9.171 6.795 -7.681 1.00 0.00 N ATOM 1441 CA SER A 85 9.776 6.548 -8.985 1.00 0.00 C ATOM 1442 C SER A 85 8.845 5.733 -9.879 1.00 0.00 C ATOM 1443 O SER A 85 8.871 5.867 -11.103 1.00 0.00 O ATOM 1444 CB SER A 85 11.109 5.816 -8.820 1.00 0.00 C ATOM 1445 OG SER A 85 12.160 6.726 -8.542 1.00 0.00 O ATOM 0 H SER A 85 9.458 6.142 -6.951 1.00 0.00 H new ATOM 0 HA SER A 85 9.951 7.513 -9.461 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.030 5.089 -8.012 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.337 5.259 -9.729 1.00 0.00 H new ATOM 0 HG SER A 85 13.001 6.233 -8.439 1.00 0.00 H new ATOM 1451 N GLU A 86 8.027 4.886 -9.264 1.00 0.00 N ATOM 1452 CA GLU A 86 7.092 4.050 -10.009 1.00 0.00 C ATOM 1453 C GLU A 86 5.788 4.795 -10.280 1.00 0.00 C ATOM 1454 O GLU A 86 5.474 5.118 -11.425 1.00 0.00 O ATOM 1455 CB GLU A 86 6.808 2.758 -9.243 1.00 0.00 C ATOM 1456 CG GLU A 86 8.064 2.010 -8.825 1.00 0.00 C ATOM 1457 CD GLU A 86 7.798 0.986 -7.740 1.00 0.00 C ATOM 1458 OE1 GLU A 86 6.751 0.307 -7.805 1.00 0.00 O ATOM 1459 OE2 GLU A 86 8.637 0.860 -6.823 1.00 0.00 O ATOM 0 H GLU A 86 7.992 4.760 -8.252 1.00 0.00 H new ATOM 0 HA GLU A 86 7.550 3.802 -10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.223 2.994 -8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.196 2.104 -9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.491 1.510 -9.694 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.807 2.724 -8.471 1.00 0.00 H new ATOM 1466 N LEU A 87 5.030 5.059 -9.219 1.00 0.00 N ATOM 1467 CA LEU A 87 3.757 5.761 -9.344 1.00 0.00 C ATOM 1468 C LEU A 87 3.940 7.110 -10.036 1.00 0.00 C ATOM 1469 O LEU A 87 3.050 7.577 -10.748 1.00 0.00 O ATOM 1470 CB LEU A 87 3.129 5.965 -7.965 1.00 0.00 C ATOM 1471 CG LEU A 87 2.422 4.736 -7.391 1.00 0.00 C ATOM 1472 CD1 LEU A 87 3.391 3.895 -6.576 1.00 0.00 C ATOM 1473 CD2 LEU A 87 1.230 5.155 -6.544 1.00 0.00 C ATOM 0 H LEU A 87 5.275 4.797 -8.264 1.00 0.00 H new ATOM 0 HA LEU A 87 3.093 5.149 -9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.908 6.276 -7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.412 6.783 -8.026 1.00 0.00 H new ATOM 0 HG LEU A 87 2.057 4.129 -8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.870 3.025 -6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.211 3.565 -7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.787 4.491 -5.754 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.739 4.268 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.571 5.784 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.525 5.714 -7.159 1.00 0.00 H new ATOM 1485 N PHE A 88 5.094 7.731 -9.820 1.00 0.00 N ATOM 1486 CA PHE A 88 5.389 9.025 -10.423 1.00 0.00 C ATOM 1487 C PHE A 88 6.614 8.938 -11.329 1.00 0.00 C ATOM 1488 O PHE A 88 6.433 8.744 -12.550 1.00 0.00 O ATOM 1489 CB PHE A 88 5.617 10.077 -9.336 1.00 0.00 C ATOM 1490 CG PHE A 88 4.369 10.815 -8.945 1.00 0.00 C ATOM 1491 CD1 PHE A 88 3.640 11.517 -9.890 1.00 0.00 C ATOM 1492 CD2 PHE A 88 3.928 10.806 -7.632 1.00 0.00 C ATOM 1493 CE1 PHE A 88 2.490 12.197 -9.533 1.00 0.00 C ATOM 1494 CE2 PHE A 88 2.780 11.486 -7.269 1.00 0.00 C ATOM 1495 CZ PHE A 88 2.060 12.181 -8.219 1.00 0.00 C ATOM 1496 OXT PHE A 88 7.742 9.066 -10.810 1.00 0.00 O ATOM 0 H PHE A 88 5.840 7.359 -9.232 1.00 0.00 H new ATOM 0 HA PHE A 88 4.532 9.319 -11.030 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.034 9.592 -8.454 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.359 10.794 -9.686 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.973 11.534 -10.917 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.486 10.262 -6.884 1.00 0.00 H new ATOM 0 HE1 PHE A 88 1.929 12.740 -10.279 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.447 11.473 -6.242 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.163 12.711 -7.937 1.00 0.00 H new TER 1506 PHE A 88