USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 803 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 60 ASN : amide:sc= 0.109 X(o=0.23,f=-0.016) USER MOD Set 1.2: A 61 THR OG1 : rot 56:sc= 0.119 USER MOD Set 2.1: A 46 CYS SG : rot 110:sc= -2.39 USER MOD Set 2.2: A 47 THR OG1 : rot 55:sc= 0.787 USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 57:sc= 1.19 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ -179:sc= 2.45 (180deg=2.32) USER MOD Single : A 10 LYS NZ :NH3+ 165:sc= 1.21 (180deg=0.963) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 37:sc= -0.76! USER MOD Single : A 15 ASN : amide:sc= -2.9! X(o=-2.9!,f=-3.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 18 ASN : amide:sc= -0.444 X(o=-0.44,f=0) USER MOD Single : A 20 CYS SG : rot 26:sc= -2.23! USER MOD Single : A 21 ASN : amide:sc= 0.991 K(o=0.99,f=-5.3!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot -25:sc= -1.13 USER MOD Single : A 35 THR OG1 : rot 99:sc= 1.24 USER MOD Single : A 39 GLN : amide:sc= 0.0661 X(o=0.066,f=-0.23) USER MOD Single : A 45 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 49 SER OG : rot 170:sc= 1.31 USER MOD Single : A 51 ASN : amide:sc= -3.69! C(o=-3.7!,f=-3.5!) USER MOD Single : A 54 THR OG1 : rot 75:sc= 0.566 USER MOD Single : A 57 HIS : no HD1:sc= -0.109 K(o=-0.11,f=-2.3!) USER MOD Single : A 63 GLN : amide:sc= -0.0688 K(o=-0.069,f=-0.79) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -67:sc= -1.21 USER MOD Single : A 90 SER OG : rot 76:sc= 0.17 USER MOD Single : A 92 TYR OH : rot 180:sc= -0.111 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0369 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -6.542 -9.025 -2.207 1.00 0.00 N ATOM 2 CA GLY A -1 -6.352 -10.210 -3.064 1.00 0.00 C ATOM 3 C GLY A -1 -7.212 -11.362 -2.647 1.00 0.00 C ATOM 4 O GLY A -1 -7.882 -11.950 -3.475 1.00 0.00 O ATOM 0 H1 GLY A -1 -5.937 -8.250 -2.547 1.00 0.00 H new ATOM 0 H2 GLY A -1 -7.538 -8.728 -2.241 1.00 0.00 H new ATOM 0 H3 GLY A -1 -6.285 -9.260 -1.227 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -6.578 -9.947 -4.097 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -5.305 -10.512 -3.034 1.00 0.00 H new ATOM 10 N SER A 0 -7.149 -11.738 -1.377 1.00 0.00 N ATOM 11 CA SER A 0 -8.032 -12.759 -0.856 1.00 0.00 C ATOM 12 C SER A 0 -9.471 -12.210 -0.858 1.00 0.00 C ATOM 13 O SER A 0 -9.840 -11.397 0.003 1.00 0.00 O ATOM 14 CB SER A 0 -7.575 -13.146 0.542 1.00 0.00 C ATOM 15 OG SER A 0 -6.166 -13.433 0.533 1.00 0.00 O ATOM 0 H SER A 0 -6.497 -11.350 -0.695 1.00 0.00 H new ATOM 0 HA SER A 0 -8.006 -13.656 -1.475 1.00 0.00 H new ATOM 0 HB2 SER A 0 -7.786 -12.336 1.240 1.00 0.00 H new ATOM 0 HB3 SER A 0 -8.131 -14.018 0.888 1.00 0.00 H new ATOM 0 HG SER A 0 -5.877 -13.680 1.436 1.00 0.00 H new ATOM 21 N MET A 1 -10.235 -12.644 -1.863 1.00 0.00 N ATOM 22 CA MET A 1 -11.571 -12.129 -2.181 1.00 0.00 C ATOM 23 C MET A 1 -11.477 -10.656 -2.557 1.00 0.00 C ATOM 24 O MET A 1 -11.834 -9.766 -1.773 1.00 0.00 O ATOM 25 CB MET A 1 -12.615 -12.385 -1.082 1.00 0.00 C ATOM 26 CG MET A 1 -12.866 -13.858 -0.815 1.00 0.00 C ATOM 27 SD MET A 1 -14.098 -14.141 0.468 1.00 0.00 S ATOM 28 CE MET A 1 -14.080 -15.931 0.550 1.00 0.00 C ATOM 0 H MET A 1 -9.934 -13.384 -2.497 1.00 0.00 H new ATOM 0 HA MET A 1 -11.939 -12.692 -3.039 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.284 -11.908 -0.159 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.554 -11.911 -1.367 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.193 -14.338 -1.737 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.930 -14.333 -0.523 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.793 -16.268 1.302 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.355 -16.342 -0.421 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.080 -16.273 0.819 1.00 0.00 H new ATOM 38 N PRO A 2 -10.957 -10.381 -3.770 1.00 0.00 N ATOM 39 CA PRO A 2 -10.677 -9.039 -4.212 1.00 0.00 C ATOM 40 C PRO A 2 -11.923 -8.325 -4.692 1.00 0.00 C ATOM 41 O PRO A 2 -12.597 -8.768 -5.643 1.00 0.00 O ATOM 42 CB PRO A 2 -9.672 -9.235 -5.355 1.00 0.00 C ATOM 43 CG PRO A 2 -9.911 -10.611 -5.880 1.00 0.00 C ATOM 44 CD PRO A 2 -10.663 -11.374 -4.822 1.00 0.00 C ATOM 0 HA PRO A 2 -10.291 -8.413 -3.408 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.818 -8.488 -6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -8.648 -9.126 -4.997 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -10.484 -10.574 -6.806 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.966 -11.104 -6.109 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -11.579 -11.806 -5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.066 -12.198 -4.431 1.00 0.00 H new ATOM 52 N PHE A 3 -12.242 -7.254 -4.036 1.00 0.00 N ATOM 53 CA PHE A 3 -13.397 -6.469 -4.380 1.00 0.00 C ATOM 54 C PHE A 3 -13.159 -5.031 -3.985 1.00 0.00 C ATOM 55 O PHE A 3 -12.975 -4.149 -4.834 1.00 0.00 O ATOM 56 CB PHE A 3 -14.642 -7.033 -3.659 1.00 0.00 C ATOM 57 CG PHE A 3 -15.937 -6.283 -3.900 1.00 0.00 C ATOM 58 CD1 PHE A 3 -16.665 -6.472 -5.060 1.00 0.00 C ATOM 59 CD2 PHE A 3 -16.429 -5.403 -2.945 1.00 0.00 C ATOM 60 CE1 PHE A 3 -17.853 -5.800 -5.267 1.00 0.00 C ATOM 61 CE2 PHE A 3 -17.615 -4.727 -3.148 1.00 0.00 C ATOM 62 CZ PHE A 3 -18.328 -4.926 -4.312 1.00 0.00 C ATOM 0 H PHE A 3 -11.710 -6.894 -3.243 1.00 0.00 H new ATOM 0 HA PHE A 3 -13.569 -6.515 -5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -14.780 -8.069 -3.969 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.444 -7.045 -2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -16.300 -7.154 -5.814 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -15.876 -5.245 -2.031 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -18.411 -5.959 -6.178 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -17.984 -4.044 -2.397 1.00 0.00 H new ATOM 0 HZ PHE A 3 -19.256 -4.398 -4.475 1.00 0.00 H new ATOM 72 N ALA A 4 -13.091 -4.816 -2.702 1.00 0.00 N ATOM 73 CA ALA A 4 -12.964 -3.500 -2.153 1.00 0.00 C ATOM 74 C ALA A 4 -11.548 -2.987 -2.313 1.00 0.00 C ATOM 75 O ALA A 4 -11.309 -1.948 -2.931 1.00 0.00 O ATOM 76 CB ALA A 4 -13.385 -3.516 -0.701 1.00 0.00 C ATOM 0 H ALA A 4 -13.123 -5.558 -2.003 1.00 0.00 H new ATOM 0 HA ALA A 4 -13.619 -2.818 -2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -13.288 -2.514 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -14.423 -3.842 -0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -12.748 -4.204 -0.145 1.00 0.00 H new ATOM 82 N GLU A 5 -10.614 -3.760 -1.831 1.00 0.00 N ATOM 83 CA GLU A 5 -9.212 -3.423 -1.886 1.00 0.00 C ATOM 84 C GLU A 5 -8.659 -3.568 -3.290 1.00 0.00 C ATOM 85 O GLU A 5 -7.697 -2.883 -3.656 1.00 0.00 O ATOM 86 CB GLU A 5 -8.370 -4.206 -0.849 1.00 0.00 C ATOM 87 CG GLU A 5 -8.942 -5.546 -0.360 1.00 0.00 C ATOM 88 CD GLU A 5 -9.342 -6.535 -1.470 1.00 0.00 C ATOM 89 OE1 GLU A 5 -10.477 -6.416 -2.015 1.00 0.00 O ATOM 90 OE2 GLU A 5 -8.537 -7.425 -1.797 1.00 0.00 O ATOM 0 H GLU A 5 -10.805 -4.656 -1.382 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.133 -2.371 -1.611 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.387 -4.394 -1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.218 -3.565 0.019 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.203 -6.025 0.282 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.817 -5.345 0.257 1.00 0.00 H new ATOM 97 N ASP A 6 -9.280 -4.439 -4.076 1.00 0.00 N ATOM 98 CA ASP A 6 -8.904 -4.612 -5.478 1.00 0.00 C ATOM 99 C ASP A 6 -9.099 -3.307 -6.208 1.00 0.00 C ATOM 100 O ASP A 6 -8.156 -2.747 -6.761 1.00 0.00 O ATOM 101 CB ASP A 6 -9.743 -5.696 -6.157 1.00 0.00 C ATOM 102 CG ASP A 6 -9.357 -5.909 -7.623 1.00 0.00 C ATOM 103 OD1 ASP A 6 -9.850 -5.177 -8.505 1.00 0.00 O ATOM 104 OD2 ASP A 6 -8.543 -6.805 -7.917 1.00 0.00 O ATOM 0 H ASP A 6 -10.047 -5.038 -3.769 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.859 -4.920 -5.513 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.625 -6.634 -5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.797 -5.424 -6.099 1.00 0.00 H new ATOM 109 N LYS A 7 -10.313 -2.779 -6.147 1.00 0.00 N ATOM 110 CA LYS A 7 -10.618 -1.537 -6.824 1.00 0.00 C ATOM 111 C LYS A 7 -10.016 -0.333 -6.132 1.00 0.00 C ATOM 112 O LYS A 7 -9.886 0.735 -6.738 1.00 0.00 O ATOM 113 CB LYS A 7 -12.093 -1.371 -7.092 1.00 0.00 C ATOM 114 CG LYS A 7 -12.624 -2.423 -8.047 1.00 0.00 C ATOM 115 CD LYS A 7 -14.050 -2.153 -8.458 1.00 0.00 C ATOM 116 CE LYS A 7 -14.984 -2.128 -7.270 1.00 0.00 C ATOM 117 NZ LYS A 7 -16.378 -1.964 -7.691 1.00 0.00 N ATOM 0 H LYS A 7 -11.095 -3.191 -5.638 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.136 -1.599 -7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.640 -1.428 -6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.276 -0.380 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.992 -2.457 -8.935 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.563 -3.403 -7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.102 -1.198 -8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -14.377 -2.920 -9.161 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.880 -3.053 -6.703 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.705 -1.312 -6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.994 -1.951 -6.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -16.481 -1.069 -8.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.650 -2.756 -8.308 1.00 0.00 H new ATOM 131 N THR A 8 -9.640 -0.495 -4.874 1.00 0.00 N ATOM 132 CA THR A 8 -8.885 0.531 -4.205 1.00 0.00 C ATOM 133 C THR A 8 -7.518 0.627 -4.888 1.00 0.00 C ATOM 134 O THR A 8 -7.076 1.704 -5.244 1.00 0.00 O ATOM 135 CB THR A 8 -8.716 0.257 -2.687 1.00 0.00 C ATOM 136 OG1 THR A 8 -10.005 0.201 -2.062 1.00 0.00 O ATOM 137 CG2 THR A 8 -7.890 1.359 -2.023 1.00 0.00 C ATOM 0 H THR A 8 -9.846 -1.319 -4.308 1.00 0.00 H new ATOM 0 HA THR A 8 -9.428 1.473 -4.282 1.00 0.00 H new ATOM 0 HB THR A 8 -8.198 -0.694 -2.567 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.548 -0.491 -2.494 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.785 1.145 -0.959 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.903 1.401 -2.483 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.392 2.318 -2.152 1.00 0.00 H new ATOM 145 N TYR A 9 -6.898 -0.527 -5.152 1.00 0.00 N ATOM 146 CA TYR A 9 -5.619 -0.559 -5.843 1.00 0.00 C ATOM 147 C TYR A 9 -5.788 -0.023 -7.268 1.00 0.00 C ATOM 148 O TYR A 9 -4.917 0.670 -7.791 1.00 0.00 O ATOM 149 CB TYR A 9 -5.036 -1.984 -5.884 1.00 0.00 C ATOM 150 CG TYR A 9 -3.645 -2.043 -6.482 1.00 0.00 C ATOM 151 CD1 TYR A 9 -3.452 -2.185 -7.853 1.00 0.00 C ATOM 152 CD2 TYR A 9 -2.522 -1.930 -5.676 1.00 0.00 C ATOM 153 CE1 TYR A 9 -2.190 -2.208 -8.395 1.00 0.00 C ATOM 154 CE2 TYR A 9 -1.257 -1.962 -6.213 1.00 0.00 C ATOM 155 CZ TYR A 9 -1.097 -2.099 -7.572 1.00 0.00 C ATOM 156 OH TYR A 9 0.160 -2.113 -8.115 1.00 0.00 O ATOM 0 H TYR A 9 -7.264 -1.444 -4.896 1.00 0.00 H new ATOM 0 HA TYR A 9 -4.921 0.073 -5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.007 -2.387 -4.872 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -5.701 -2.625 -6.463 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.310 -2.279 -8.502 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.643 -1.815 -4.609 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.059 -2.311 -9.462 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -0.393 -1.880 -5.571 1.00 0.00 H new ATOM 0 HH TYR A 9 0.826 -2.026 -7.401 1.00 0.00 H new ATOM 166 N LYS A 10 -6.924 -0.330 -7.881 1.00 0.00 N ATOM 167 CA LYS A 10 -7.225 0.131 -9.244 1.00 0.00 C ATOM 168 C LYS A 10 -7.409 1.652 -9.272 1.00 0.00 C ATOM 169 O LYS A 10 -7.243 2.288 -10.308 1.00 0.00 O ATOM 170 CB LYS A 10 -8.464 -0.583 -9.814 1.00 0.00 C ATOM 171 CG LYS A 10 -8.379 -2.108 -9.754 1.00 0.00 C ATOM 172 CD LYS A 10 -7.195 -2.655 -10.534 1.00 0.00 C ATOM 173 CE LYS A 10 -6.969 -4.141 -10.251 1.00 0.00 C ATOM 174 NZ LYS A 10 -8.150 -4.968 -10.566 1.00 0.00 N ATOM 0 H LYS A 10 -7.659 -0.898 -7.460 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.376 -0.123 -9.879 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.346 -0.256 -9.263 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.604 -0.277 -10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.302 -2.424 -8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.300 -2.536 -10.150 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.364 -2.509 -11.601 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.297 -2.094 -10.274 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.119 -4.492 -10.835 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.710 -4.271 -9.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.873 -5.970 -10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.873 -4.835 -9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.538 -4.683 -11.488 1.00 0.00 H new ATOM 188 N TYR A 11 -7.742 2.215 -8.126 1.00 0.00 N ATOM 189 CA TYR A 11 -7.852 3.653 -7.966 1.00 0.00 C ATOM 190 C TYR A 11 -6.443 4.195 -7.889 1.00 0.00 C ATOM 191 O TYR A 11 -6.082 5.156 -8.556 1.00 0.00 O ATOM 192 CB TYR A 11 -8.572 3.973 -6.650 1.00 0.00 C ATOM 193 CG TYR A 11 -9.059 5.403 -6.514 1.00 0.00 C ATOM 194 CD1 TYR A 11 -8.211 6.414 -6.087 1.00 0.00 C ATOM 195 CD2 TYR A 11 -10.376 5.733 -6.801 1.00 0.00 C ATOM 196 CE1 TYR A 11 -8.659 7.712 -5.957 1.00 0.00 C ATOM 197 CE2 TYR A 11 -10.830 7.028 -6.674 1.00 0.00 C ATOM 198 CZ TYR A 11 -9.965 8.013 -6.253 1.00 0.00 C ATOM 199 OH TYR A 11 -10.412 9.306 -6.125 1.00 0.00 O ATOM 0 H TYR A 11 -7.944 1.687 -7.277 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.410 4.092 -8.793 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.426 3.304 -6.549 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -7.897 3.755 -5.822 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -7.183 6.181 -5.852 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -11.057 4.962 -7.130 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -7.985 8.488 -5.624 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.858 7.269 -6.903 1.00 0.00 H new ATOM 0 HH TYR A 11 -11.359 9.351 -6.374 1.00 0.00 H new ATOM 209 N ILE A 12 -5.656 3.519 -7.081 1.00 0.00 N ATOM 210 CA ILE A 12 -4.260 3.838 -6.811 1.00 0.00 C ATOM 211 C ILE A 12 -3.415 3.784 -8.091 1.00 0.00 C ATOM 212 O ILE A 12 -2.431 4.472 -8.199 1.00 0.00 O ATOM 213 CB ILE A 12 -3.706 2.874 -5.718 1.00 0.00 C ATOM 214 CG1 ILE A 12 -4.519 3.013 -4.407 1.00 0.00 C ATOM 215 CG2 ILE A 12 -2.212 3.049 -5.471 1.00 0.00 C ATOM 216 CD1 ILE A 12 -4.497 4.392 -3.773 1.00 0.00 C ATOM 0 H ILE A 12 -5.979 2.697 -6.570 1.00 0.00 H new ATOM 0 HA ILE A 12 -4.199 4.860 -6.438 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.829 1.859 -6.097 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.555 2.741 -4.611 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.137 2.293 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.886 2.351 -4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.665 2.852 -6.393 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.015 4.069 -5.143 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.095 4.383 -2.862 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.470 4.664 -3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.910 5.120 -4.471 1.00 0.00 H new ATOM 228 N CYS A 13 -3.854 3.012 -9.076 1.00 0.00 N ATOM 229 CA CYS A 13 -3.163 2.940 -10.371 1.00 0.00 C ATOM 230 C CYS A 13 -3.083 4.336 -11.029 1.00 0.00 C ATOM 231 O CYS A 13 -2.136 4.647 -11.749 1.00 0.00 O ATOM 232 CB CYS A 13 -3.888 1.964 -11.302 1.00 0.00 C ATOM 233 SG CYS A 13 -4.037 0.286 -10.643 1.00 0.00 S ATOM 0 H CYS A 13 -4.685 2.424 -9.010 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.148 2.582 -10.197 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.886 2.351 -11.510 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.357 1.923 -12.253 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.248 0.340 -9.361 1.00 0.00 H new ATOM 239 N ARG A 14 -4.064 5.177 -10.720 1.00 0.00 N ATOM 240 CA ARG A 14 -4.141 6.529 -11.248 1.00 0.00 C ATOM 241 C ARG A 14 -3.151 7.441 -10.527 1.00 0.00 C ATOM 242 O ARG A 14 -2.454 8.247 -11.141 1.00 0.00 O ATOM 243 CB ARG A 14 -5.552 7.081 -11.032 1.00 0.00 C ATOM 244 CG ARG A 14 -6.647 6.279 -11.696 1.00 0.00 C ATOM 245 CD ARG A 14 -8.031 6.804 -11.331 1.00 0.00 C ATOM 246 NE ARG A 14 -8.217 8.233 -11.650 1.00 0.00 N ATOM 247 CZ ARG A 14 -9.319 8.944 -11.342 1.00 0.00 C ATOM 248 NH1 ARG A 14 -10.362 8.350 -10.776 1.00 0.00 N ATOM 249 NH2 ARG A 14 -9.385 10.235 -11.625 1.00 0.00 N ATOM 0 H ARG A 14 -4.831 4.936 -10.092 1.00 0.00 H new ATOM 0 HA ARG A 14 -3.901 6.499 -12.311 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.751 7.127 -9.961 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -5.590 8.104 -11.407 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.518 6.313 -12.778 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.564 5.234 -11.398 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.784 6.220 -11.860 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.200 6.652 -10.265 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.461 8.714 -12.136 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.331 7.351 -10.572 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.194 8.892 -10.545 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.598 10.698 -12.079 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.223 10.767 -11.389 1.00 0.00 H new ATOM 263 N ASN A 15 -3.064 7.269 -9.231 1.00 0.00 N ATOM 264 CA ASN A 15 -2.275 8.155 -8.370 1.00 0.00 C ATOM 265 C ASN A 15 -0.948 7.547 -7.963 1.00 0.00 C ATOM 266 O ASN A 15 -0.240 8.095 -7.120 1.00 0.00 O ATOM 267 CB ASN A 15 -3.076 8.560 -7.124 1.00 0.00 C ATOM 268 CG ASN A 15 -3.613 7.386 -6.344 1.00 0.00 C ATOM 269 OD1 ASN A 15 -2.952 6.828 -5.495 1.00 0.00 O ATOM 270 ND2 ASN A 15 -4.839 7.016 -6.631 1.00 0.00 N ATOM 0 H ASN A 15 -3.533 6.514 -8.730 1.00 0.00 H new ATOM 0 HA ASN A 15 -2.054 9.044 -8.960 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.440 9.158 -6.472 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.908 9.195 -7.428 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.266 6.235 -6.133 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.365 7.510 -7.352 1.00 0.00 H new ATOM 277 N PHE A 16 -0.585 6.450 -8.603 1.00 0.00 N ATOM 278 CA PHE A 16 0.666 5.744 -8.307 1.00 0.00 C ATOM 279 C PHE A 16 1.850 6.687 -8.510 1.00 0.00 C ATOM 280 O PHE A 16 2.785 6.707 -7.717 1.00 0.00 O ATOM 281 CB PHE A 16 0.812 4.497 -9.206 1.00 0.00 C ATOM 282 CG PHE A 16 1.807 3.469 -8.695 1.00 0.00 C ATOM 283 CD1 PHE A 16 3.177 3.641 -8.847 1.00 0.00 C ATOM 284 CD2 PHE A 16 1.354 2.328 -8.052 1.00 0.00 C ATOM 285 CE1 PHE A 16 4.070 2.695 -8.368 1.00 0.00 C ATOM 286 CE2 PHE A 16 2.239 1.382 -7.575 1.00 0.00 C ATOM 287 CZ PHE A 16 3.597 1.567 -7.731 1.00 0.00 C ATOM 0 H PHE A 16 -1.141 6.018 -9.341 1.00 0.00 H new ATOM 0 HA PHE A 16 0.647 5.414 -7.268 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.163 4.021 -9.308 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.117 4.816 -10.203 1.00 0.00 H new ATOM 0 HD1 PHE A 16 3.551 4.523 -9.345 1.00 0.00 H new ATOM 0 HD2 PHE A 16 0.293 2.177 -7.922 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.133 2.841 -8.493 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.868 0.497 -7.080 1.00 0.00 H new ATOM 0 HZ PHE A 16 4.290 0.829 -7.354 1.00 0.00 H new ATOM 297 N SER A 17 1.749 7.516 -9.540 1.00 0.00 N ATOM 298 CA SER A 17 2.767 8.488 -9.913 1.00 0.00 C ATOM 299 C SER A 17 3.003 9.531 -8.798 1.00 0.00 C ATOM 300 O SER A 17 4.079 10.132 -8.701 1.00 0.00 O ATOM 301 CB SER A 17 2.293 9.178 -11.174 1.00 0.00 C ATOM 302 OG SER A 17 1.799 8.211 -12.089 1.00 0.00 O ATOM 0 H SER A 17 0.935 7.531 -10.155 1.00 0.00 H new ATOM 0 HA SER A 17 3.716 7.976 -10.073 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.512 9.899 -10.934 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.113 9.735 -11.626 1.00 0.00 H new ATOM 0 HG SER A 17 1.491 8.659 -12.904 1.00 0.00 H new ATOM 308 N ASN A 18 2.008 9.713 -7.949 1.00 0.00 N ATOM 309 CA ASN A 18 2.070 10.683 -6.870 1.00 0.00 C ATOM 310 C ASN A 18 2.961 10.176 -5.751 1.00 0.00 C ATOM 311 O ASN A 18 3.669 10.945 -5.091 1.00 0.00 O ATOM 312 CB ASN A 18 0.652 11.015 -6.388 1.00 0.00 C ATOM 313 CG ASN A 18 0.596 11.926 -5.185 1.00 0.00 C ATOM 314 OD1 ASN A 18 0.682 13.142 -5.306 1.00 0.00 O ATOM 315 ND2 ASN A 18 0.351 11.358 -4.040 1.00 0.00 N ATOM 0 H ASN A 18 1.132 9.192 -7.988 1.00 0.00 H new ATOM 0 HA ASN A 18 2.517 11.608 -7.233 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.104 11.481 -7.207 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.137 10.085 -6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.223 11.929 -3.204 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.287 10.342 -3.978 1.00 0.00 H new ATOM 322 N PHE A 19 2.975 8.881 -5.569 1.00 0.00 N ATOM 323 CA PHE A 19 3.846 8.296 -4.602 1.00 0.00 C ATOM 324 C PHE A 19 4.866 7.349 -5.194 1.00 0.00 C ATOM 325 O PHE A 19 5.106 6.278 -4.687 1.00 0.00 O ATOM 326 CB PHE A 19 3.158 7.761 -3.319 1.00 0.00 C ATOM 327 CG PHE A 19 1.863 7.007 -3.468 1.00 0.00 C ATOM 328 CD1 PHE A 19 1.625 6.140 -4.518 1.00 0.00 C ATOM 329 CD2 PHE A 19 0.884 7.165 -2.506 1.00 0.00 C ATOM 330 CE1 PHE A 19 0.429 5.457 -4.600 1.00 0.00 C ATOM 331 CE2 PHE A 19 -0.305 6.491 -2.584 1.00 0.00 C ATOM 332 CZ PHE A 19 -0.535 5.638 -3.627 1.00 0.00 C ATOM 0 H PHE A 19 2.392 8.218 -6.080 1.00 0.00 H new ATOM 0 HA PHE A 19 4.421 9.146 -4.235 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.866 7.108 -2.809 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.975 8.610 -2.660 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.379 5.997 -5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.060 7.833 -1.676 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.247 4.782 -5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.059 6.633 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.472 5.105 -3.691 1.00 0.00 H new ATOM 342 N CYS A 20 5.478 7.782 -6.293 1.00 0.00 N ATOM 343 CA CYS A 20 6.624 7.092 -6.861 1.00 0.00 C ATOM 344 C CYS A 20 7.886 7.715 -6.275 1.00 0.00 C ATOM 345 O CYS A 20 9.004 7.479 -6.715 1.00 0.00 O ATOM 346 CB CYS A 20 6.645 7.209 -8.378 1.00 0.00 C ATOM 347 SG CYS A 20 5.298 6.377 -9.217 1.00 0.00 S ATOM 0 H CYS A 20 5.194 8.615 -6.809 1.00 0.00 H new ATOM 0 HA CYS A 20 6.565 6.031 -6.616 1.00 0.00 H new ATOM 0 HB2 CYS A 20 6.624 8.265 -8.647 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.588 6.805 -8.746 1.00 0.00 H new ATOM 0 HG CYS A 20 4.275 6.294 -8.419 1.00 0.00 H new ATOM 353 N ASN A 21 7.672 8.517 -5.290 1.00 0.00 N ATOM 354 CA ASN A 21 8.699 9.134 -4.544 1.00 0.00 C ATOM 355 C ASN A 21 8.144 9.318 -3.176 1.00 0.00 C ATOM 356 O ASN A 21 7.469 10.309 -2.896 1.00 0.00 O ATOM 357 CB ASN A 21 9.113 10.472 -5.136 1.00 0.00 C ATOM 358 CG ASN A 21 10.393 10.960 -4.514 1.00 0.00 C ATOM 359 OD1 ASN A 21 11.474 10.658 -5.012 1.00 0.00 O ATOM 360 ND2 ASN A 21 10.300 11.669 -3.430 1.00 0.00 N ATOM 0 H ASN A 21 6.735 8.767 -4.974 1.00 0.00 H new ATOM 0 HA ASN A 21 9.599 8.519 -4.546 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.242 10.373 -6.214 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.323 11.206 -4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.144 11.996 -2.961 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.383 11.899 -3.048 1.00 0.00 H new ATOM 367 N VAL A 22 8.303 8.304 -2.390 1.00 0.00 N ATOM 368 CA VAL A 22 7.799 8.251 -1.051 1.00 0.00 C ATOM 369 C VAL A 22 8.656 7.223 -0.328 1.00 0.00 C ATOM 370 O VAL A 22 9.333 6.413 -1.004 1.00 0.00 O ATOM 371 CB VAL A 22 6.279 7.832 -1.057 1.00 0.00 C ATOM 372 CG1 VAL A 22 6.042 6.384 -1.384 1.00 0.00 C ATOM 373 CG2 VAL A 22 5.553 8.232 0.194 1.00 0.00 C ATOM 0 H VAL A 22 8.804 7.460 -2.669 1.00 0.00 H new ATOM 0 HA VAL A 22 7.851 9.220 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 22 5.851 8.404 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.972 6.178 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.438 6.165 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.544 5.758 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.512 7.915 0.128 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.023 7.757 1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.596 9.315 0.309 1.00 0.00 H new ATOM 383 N ASP A 23 8.683 7.242 0.987 1.00 0.00 N ATOM 384 CA ASP A 23 9.524 6.303 1.690 1.00 0.00 C ATOM 385 C ASP A 23 8.851 4.941 1.779 1.00 0.00 C ATOM 386 O ASP A 23 7.650 4.833 1.630 1.00 0.00 O ATOM 387 CB ASP A 23 9.977 6.804 3.066 1.00 0.00 C ATOM 388 CG ASP A 23 11.066 5.914 3.633 1.00 0.00 C ATOM 389 OD1 ASP A 23 12.207 5.977 3.148 1.00 0.00 O ATOM 390 OD2 ASP A 23 10.801 5.101 4.517 1.00 0.00 O ATOM 0 H ASP A 23 8.147 7.879 1.576 1.00 0.00 H new ATOM 0 HA ASP A 23 10.437 6.200 1.103 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.344 7.827 2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.127 6.825 3.748 1.00 0.00 H new ATOM 395 N VAL A 24 9.640 3.918 2.014 1.00 0.00 N ATOM 396 CA VAL A 24 9.173 2.548 2.001 1.00 0.00 C ATOM 397 C VAL A 24 9.523 1.846 3.316 1.00 0.00 C ATOM 398 O VAL A 24 8.764 1.025 3.826 1.00 0.00 O ATOM 399 CB VAL A 24 9.855 1.777 0.829 1.00 0.00 C ATOM 400 CG1 VAL A 24 9.457 0.328 0.789 1.00 0.00 C ATOM 401 CG2 VAL A 24 9.553 2.422 -0.501 1.00 0.00 C ATOM 0 H VAL A 24 10.634 4.013 2.222 1.00 0.00 H new ATOM 0 HA VAL A 24 8.091 2.555 1.873 1.00 0.00 H new ATOM 0 HB VAL A 24 10.928 1.827 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.958 -0.164 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.746 -0.155 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.377 0.251 0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.043 1.861 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.476 2.424 -0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.922 3.448 -0.500 1.00 0.00 H new ATOM 411 N VAL A 25 10.635 2.225 3.893 1.00 0.00 N ATOM 412 CA VAL A 25 11.164 1.498 5.021 1.00 0.00 C ATOM 413 C VAL A 25 10.574 1.948 6.330 1.00 0.00 C ATOM 414 O VAL A 25 10.405 1.145 7.236 1.00 0.00 O ATOM 415 CB VAL A 25 12.697 1.514 5.062 1.00 0.00 C ATOM 416 CG1 VAL A 25 13.248 0.856 3.813 1.00 0.00 C ATOM 417 CG2 VAL A 25 13.244 2.921 5.194 1.00 0.00 C ATOM 0 H VAL A 25 11.191 3.030 3.603 1.00 0.00 H new ATOM 0 HA VAL A 25 10.857 0.462 4.875 1.00 0.00 H new ATOM 0 HB VAL A 25 13.014 0.956 5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.337 0.869 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 25 12.899 -0.175 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.905 1.400 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.333 2.887 5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.919 3.519 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.873 3.370 6.115 1.00 0.00 H new ATOM 427 N GLU A 26 10.233 3.221 6.413 1.00 0.00 N ATOM 428 CA GLU A 26 9.584 3.759 7.594 1.00 0.00 C ATOM 429 C GLU A 26 8.191 3.149 7.677 1.00 0.00 C ATOM 430 O GLU A 26 7.670 2.905 8.728 1.00 0.00 O ATOM 431 CB GLU A 26 9.486 5.288 7.493 1.00 0.00 C ATOM 432 CG GLU A 26 9.138 5.989 8.799 1.00 0.00 C ATOM 433 CD GLU A 26 10.188 5.767 9.860 1.00 0.00 C ATOM 434 OE1 GLU A 26 11.320 6.273 9.702 1.00 0.00 O ATOM 435 OE2 GLU A 26 9.917 5.077 10.848 1.00 0.00 O ATOM 0 H GLU A 26 10.396 3.904 5.673 1.00 0.00 H new ATOM 0 HA GLU A 26 10.159 3.516 8.487 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.437 5.677 7.130 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.732 5.542 6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.027 7.058 8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.176 5.625 9.160 1.00 0.00 H new ATOM 442 N ILE A 27 7.644 2.859 6.522 1.00 0.00 N ATOM 443 CA ILE A 27 6.335 2.254 6.382 1.00 0.00 C ATOM 444 C ILE A 27 6.295 0.829 6.962 1.00 0.00 C ATOM 445 O ILE A 27 5.313 0.455 7.564 1.00 0.00 O ATOM 446 CB ILE A 27 5.900 2.275 4.878 1.00 0.00 C ATOM 447 CG1 ILE A 27 5.465 3.688 4.459 1.00 0.00 C ATOM 448 CG2 ILE A 27 4.857 1.219 4.523 1.00 0.00 C ATOM 449 CD1 ILE A 27 5.025 3.803 3.013 1.00 0.00 C ATOM 0 H ILE A 27 8.105 3.040 5.630 1.00 0.00 H new ATOM 0 HA ILE A 27 5.623 2.842 6.961 1.00 0.00 H new ATOM 0 HB ILE A 27 6.780 2.001 4.296 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.646 4.009 5.102 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.293 4.376 4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.606 1.296 3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.259 0.227 4.729 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.960 1.378 5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.735 4.832 2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.848 3.516 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.175 3.143 2.838 1.00 0.00 H new ATOM 461 N LEU A 28 7.389 0.090 6.839 1.00 0.00 N ATOM 462 CA LEU A 28 7.449 -1.324 7.266 1.00 0.00 C ATOM 463 C LEU A 28 6.950 -1.579 8.719 1.00 0.00 C ATOM 464 O LEU A 28 6.030 -2.383 8.912 1.00 0.00 O ATOM 465 CB LEU A 28 8.843 -1.926 7.035 1.00 0.00 C ATOM 466 CG LEU A 28 9.324 -1.960 5.587 1.00 0.00 C ATOM 467 CD1 LEU A 28 10.734 -2.500 5.515 1.00 0.00 C ATOM 468 CD2 LEU A 28 8.393 -2.806 4.738 1.00 0.00 C ATOM 0 H LEU A 28 8.262 0.440 6.444 1.00 0.00 H new ATOM 0 HA LEU A 28 6.739 -1.845 6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.564 -1.359 7.624 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.846 -2.945 7.422 1.00 0.00 H new ATOM 0 HG LEU A 28 9.319 -0.942 5.197 1.00 0.00 H new ATOM 0 HD11 LEU A 28 11.064 -2.519 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 28 11.399 -1.860 6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.758 -3.511 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.751 -2.819 3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.370 -3.824 5.127 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.389 -2.383 4.768 1.00 0.00 H new ATOM 480 N PRO A 29 7.503 -0.905 9.769 1.00 0.00 N ATOM 481 CA PRO A 29 7.040 -1.109 11.151 1.00 0.00 C ATOM 482 C PRO A 29 5.644 -0.512 11.405 1.00 0.00 C ATOM 483 O PRO A 29 5.006 -0.792 12.427 1.00 0.00 O ATOM 484 CB PRO A 29 8.089 -0.384 11.991 1.00 0.00 C ATOM 485 CG PRO A 29 8.632 0.664 11.089 1.00 0.00 C ATOM 486 CD PRO A 29 8.634 0.060 9.721 1.00 0.00 C ATOM 0 HA PRO A 29 6.940 -2.168 11.388 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.647 0.054 12.886 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.872 -1.066 12.323 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.017 1.563 11.119 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.638 0.956 11.389 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.486 0.814 8.948 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.579 -0.438 9.503 1.00 0.00 H new ATOM 494 N TYR A 30 5.178 0.287 10.478 1.00 0.00 N ATOM 495 CA TYR A 30 3.898 0.933 10.579 1.00 0.00 C ATOM 496 C TYR A 30 2.851 0.227 9.732 1.00 0.00 C ATOM 497 O TYR A 30 1.685 0.596 9.736 1.00 0.00 O ATOM 498 CB TYR A 30 4.032 2.394 10.166 1.00 0.00 C ATOM 499 CG TYR A 30 4.777 3.245 11.167 1.00 0.00 C ATOM 500 CD1 TYR A 30 4.237 3.537 12.409 1.00 0.00 C ATOM 501 CD2 TYR A 30 6.021 3.737 10.876 1.00 0.00 C ATOM 502 CE1 TYR A 30 4.934 4.306 13.319 1.00 0.00 C ATOM 503 CE2 TYR A 30 6.725 4.499 11.771 1.00 0.00 C ATOM 504 CZ TYR A 30 6.181 4.784 12.990 1.00 0.00 C ATOM 505 OH TYR A 30 6.890 5.551 13.890 1.00 0.00 O ATOM 0 H TYR A 30 5.686 0.508 9.621 1.00 0.00 H new ATOM 0 HA TYR A 30 3.564 0.881 11.615 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.546 2.445 9.206 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.037 2.812 10.017 1.00 0.00 H new ATOM 0 HD1 TYR A 30 3.259 3.159 12.668 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.460 3.518 9.914 1.00 0.00 H new ATOM 0 HE1 TYR A 30 4.503 4.531 14.283 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.705 4.872 11.513 1.00 0.00 H new ATOM 0 HH TYR A 30 7.751 5.804 13.497 1.00 0.00 H new ATOM 515 N LEU A 31 3.271 -0.790 9.022 1.00 0.00 N ATOM 516 CA LEU A 31 2.418 -1.534 8.158 1.00 0.00 C ATOM 517 C LEU A 31 2.577 -3.039 8.443 1.00 0.00 C ATOM 518 O LEU A 31 3.374 -3.729 7.812 1.00 0.00 O ATOM 519 CB LEU A 31 2.785 -1.198 6.710 1.00 0.00 C ATOM 520 CG LEU A 31 2.002 -1.884 5.621 1.00 0.00 C ATOM 521 CD1 LEU A 31 0.532 -1.545 5.687 1.00 0.00 C ATOM 522 CD2 LEU A 31 2.584 -1.584 4.257 1.00 0.00 C ATOM 0 H LEU A 31 4.235 -1.123 9.035 1.00 0.00 H new ATOM 0 HA LEU A 31 1.374 -1.273 8.329 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.677 -0.122 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.840 -1.433 6.566 1.00 0.00 H new ATOM 0 HG LEU A 31 2.087 -2.958 5.786 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.003 -2.060 4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.128 -1.861 6.649 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.401 -0.469 5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.998 -2.093 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.558 -0.509 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.615 -1.934 4.217 1.00 0.00 H new ATOM 534 N PRO A 32 1.829 -3.566 9.422 1.00 0.00 N ATOM 535 CA PRO A 32 1.915 -4.968 9.819 1.00 0.00 C ATOM 536 C PRO A 32 0.963 -5.854 9.005 1.00 0.00 C ATOM 537 O PRO A 32 0.534 -6.926 9.447 1.00 0.00 O ATOM 538 CB PRO A 32 1.490 -4.920 11.285 1.00 0.00 C ATOM 539 CG PRO A 32 0.536 -3.773 11.384 1.00 0.00 C ATOM 540 CD PRO A 32 0.840 -2.837 10.239 1.00 0.00 C ATOM 0 HA PRO A 32 2.904 -5.396 9.656 1.00 0.00 H new ATOM 0 HB2 PRO A 32 1.015 -5.853 11.587 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.350 -4.774 11.939 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.494 -4.124 11.330 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.649 -3.261 12.340 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.057 -2.607 9.665 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.241 -1.889 10.597 1.00 0.00 H new ATOM 548 N CYS A 33 0.656 -5.405 7.813 1.00 0.00 N ATOM 549 CA CYS A 33 -0.227 -6.123 6.931 1.00 0.00 C ATOM 550 C CYS A 33 0.542 -7.218 6.206 1.00 0.00 C ATOM 551 O CYS A 33 -0.018 -8.254 5.845 1.00 0.00 O ATOM 552 CB CYS A 33 -0.869 -5.163 5.930 1.00 0.00 C ATOM 553 SG CYS A 33 -2.069 -5.917 4.823 1.00 0.00 S ATOM 0 H CYS A 33 1.012 -4.530 7.428 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.020 -6.585 7.520 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.359 -4.360 6.481 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.082 -4.705 5.332 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.804 -7.183 4.693 1.00 0.00 H new ATOM 559 N LEU A 34 1.827 -7.003 6.022 1.00 0.00 N ATOM 560 CA LEU A 34 2.654 -7.977 5.355 1.00 0.00 C ATOM 561 C LEU A 34 3.287 -8.894 6.362 1.00 0.00 C ATOM 562 O LEU A 34 3.280 -8.615 7.563 1.00 0.00 O ATOM 563 CB LEU A 34 3.780 -7.353 4.513 1.00 0.00 C ATOM 564 CG LEU A 34 3.424 -6.490 3.307 1.00 0.00 C ATOM 565 CD1 LEU A 34 2.438 -7.179 2.380 1.00 0.00 C ATOM 566 CD2 LEU A 34 2.954 -5.137 3.734 1.00 0.00 C ATOM 0 H LEU A 34 2.318 -6.162 6.326 1.00 0.00 H new ATOM 0 HA LEU A 34 1.988 -8.518 4.682 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.390 -6.745 5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.412 -8.167 4.157 1.00 0.00 H new ATOM 0 HG LEU A 34 4.335 -6.347 2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.215 -6.526 1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.872 -8.110 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.519 -7.397 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.707 -4.543 2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.069 -5.241 4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.743 -4.639 4.298 1.00 0.00 H new ATOM 578 N THR A 35 3.856 -9.935 5.866 1.00 0.00 N ATOM 579 CA THR A 35 4.534 -10.920 6.622 1.00 0.00 C ATOM 580 C THR A 35 5.993 -10.453 6.807 1.00 0.00 C ATOM 581 O THR A 35 6.438 -9.532 6.099 1.00 0.00 O ATOM 582 CB THR A 35 4.540 -12.184 5.770 1.00 0.00 C ATOM 583 OG1 THR A 35 3.306 -12.245 5.023 1.00 0.00 O ATOM 584 CG2 THR A 35 4.624 -13.398 6.627 1.00 0.00 C ATOM 0 H THR A 35 3.859 -10.130 4.865 1.00 0.00 H new ATOM 0 HA THR A 35 4.066 -11.089 7.592 1.00 0.00 H new ATOM 0 HB THR A 35 5.403 -12.153 5.106 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.458 -11.916 4.112 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.627 -14.288 5.998 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.542 -13.366 7.214 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.765 -13.430 7.297 1.00 0.00 H new ATOM 592 N ALA A 36 6.733 -11.074 7.719 1.00 0.00 N ATOM 593 CA ALA A 36 8.128 -10.718 7.949 1.00 0.00 C ATOM 594 C ALA A 36 8.956 -10.904 6.678 1.00 0.00 C ATOM 595 O ALA A 36 9.754 -10.049 6.339 1.00 0.00 O ATOM 596 CB ALA A 36 8.713 -11.513 9.105 1.00 0.00 C ATOM 0 H ALA A 36 6.389 -11.829 8.313 1.00 0.00 H new ATOM 0 HA ALA A 36 8.164 -9.663 8.221 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.754 -11.227 9.253 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.147 -11.305 10.013 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.658 -12.578 8.879 1.00 0.00 H new ATOM 602 N ARG A 37 8.710 -12.016 5.959 1.00 0.00 N ATOM 603 CA ARG A 37 9.377 -12.318 4.690 1.00 0.00 C ATOM 604 C ARG A 37 9.184 -11.194 3.676 1.00 0.00 C ATOM 605 O ARG A 37 10.109 -10.826 2.960 1.00 0.00 O ATOM 606 CB ARG A 37 8.814 -13.603 4.091 1.00 0.00 C ATOM 607 CG ARG A 37 9.102 -14.882 4.851 1.00 0.00 C ATOM 608 CD ARG A 37 8.414 -16.063 4.177 1.00 0.00 C ATOM 609 NE ARG A 37 8.592 -17.321 4.914 1.00 0.00 N ATOM 610 CZ ARG A 37 8.049 -18.500 4.559 1.00 0.00 C ATOM 611 NH1 ARG A 37 7.302 -18.593 3.464 1.00 0.00 N ATOM 612 NH2 ARG A 37 8.253 -19.582 5.301 1.00 0.00 N ATOM 0 H ARG A 37 8.040 -12.729 6.248 1.00 0.00 H new ATOM 0 HA ARG A 37 10.440 -12.430 4.903 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.733 -13.494 4.002 1.00 0.00 H new ATOM 0 HB3 ARG A 37 9.207 -13.710 3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.178 -15.054 4.893 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.754 -14.788 5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.349 -15.851 4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.808 -16.180 3.167 1.00 0.00 H new ATOM 0 HE ARG A 37 9.169 -17.299 5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.137 -17.768 2.887 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.893 -19.489 3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.823 -19.522 6.144 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.839 -20.473 5.028 1.00 0.00 H new ATOM 626 N ASP A 38 7.979 -10.647 3.643 1.00 0.00 N ATOM 627 CA ASP A 38 7.626 -9.585 2.700 1.00 0.00 C ATOM 628 C ASP A 38 8.427 -8.337 3.019 1.00 0.00 C ATOM 629 O ASP A 38 9.073 -7.745 2.148 1.00 0.00 O ATOM 630 CB ASP A 38 6.132 -9.239 2.789 1.00 0.00 C ATOM 631 CG ASP A 38 5.180 -10.372 2.484 1.00 0.00 C ATOM 632 OD1 ASP A 38 5.374 -11.108 1.496 1.00 0.00 O ATOM 633 OD2 ASP A 38 4.188 -10.544 3.237 1.00 0.00 O ATOM 0 H ASP A 38 7.218 -10.922 4.264 1.00 0.00 H new ATOM 0 HA ASP A 38 7.850 -9.940 1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.922 -8.872 3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.926 -8.420 2.101 1.00 0.00 H new ATOM 638 N GLN A 39 8.405 -7.968 4.293 1.00 0.00 N ATOM 639 CA GLN A 39 9.108 -6.789 4.807 1.00 0.00 C ATOM 640 C GLN A 39 10.610 -6.940 4.589 1.00 0.00 C ATOM 641 O GLN A 39 11.295 -5.995 4.213 1.00 0.00 O ATOM 642 CB GLN A 39 8.804 -6.639 6.294 1.00 0.00 C ATOM 643 CG GLN A 39 7.319 -6.517 6.588 1.00 0.00 C ATOM 644 CD GLN A 39 6.994 -6.592 8.059 1.00 0.00 C ATOM 645 OE1 GLN A 39 7.783 -6.192 8.917 1.00 0.00 O ATOM 646 NE2 GLN A 39 5.842 -7.122 8.369 1.00 0.00 N ATOM 0 H GLN A 39 7.894 -8.482 5.011 1.00 0.00 H new ATOM 0 HA GLN A 39 8.770 -5.900 4.275 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.205 -7.499 6.830 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.318 -5.757 6.677 1.00 0.00 H new ATOM 0 HG2 GLN A 39 6.953 -5.570 6.190 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.786 -7.310 6.064 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.213 -7.443 7.632 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.571 -7.216 9.348 1.00 0.00 H new ATOM 655 N ASP A 40 11.079 -8.149 4.814 1.00 0.00 N ATOM 656 CA ASP A 40 12.470 -8.572 4.615 1.00 0.00 C ATOM 657 C ASP A 40 12.938 -8.260 3.205 1.00 0.00 C ATOM 658 O ASP A 40 13.985 -7.648 3.008 1.00 0.00 O ATOM 659 CB ASP A 40 12.545 -10.074 4.868 1.00 0.00 C ATOM 660 CG ASP A 40 13.867 -10.711 4.542 1.00 0.00 C ATOM 661 OD1 ASP A 40 14.771 -10.704 5.386 1.00 0.00 O ATOM 662 OD2 ASP A 40 13.985 -11.333 3.458 1.00 0.00 O ATOM 0 H ASP A 40 10.485 -8.904 5.155 1.00 0.00 H new ATOM 0 HA ASP A 40 13.119 -8.032 5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 40 12.318 -10.262 5.917 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.768 -10.565 4.281 1.00 0.00 H new ATOM 667 N ARG A 41 12.128 -8.649 2.226 1.00 0.00 N ATOM 668 CA ARG A 41 12.452 -8.413 0.817 1.00 0.00 C ATOM 669 C ARG A 41 12.584 -6.924 0.545 1.00 0.00 C ATOM 670 O ARG A 41 13.538 -6.472 -0.109 1.00 0.00 O ATOM 671 CB ARG A 41 11.378 -8.979 -0.122 1.00 0.00 C ATOM 672 CG ARG A 41 11.099 -10.460 0.025 1.00 0.00 C ATOM 673 CD ARG A 41 12.363 -11.289 -0.048 1.00 0.00 C ATOM 674 NE ARG A 41 12.056 -12.708 -0.113 1.00 0.00 N ATOM 675 CZ ARG A 41 12.574 -13.658 0.665 1.00 0.00 C ATOM 676 NH1 ARG A 41 13.322 -13.348 1.732 1.00 0.00 N ATOM 677 NH2 ARG A 41 12.300 -14.929 0.403 1.00 0.00 N ATOM 0 H ARG A 41 11.241 -9.129 2.379 1.00 0.00 H new ATOM 0 HA ARG A 41 13.396 -8.922 0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 41 10.449 -8.434 0.046 1.00 0.00 H new ATOM 0 HB3 ARG A 41 11.680 -8.784 -1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.602 -10.642 0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.412 -10.778 -0.759 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.942 -10.999 -0.925 1.00 0.00 H new ATOM 0 HD3 ARG A 41 12.984 -11.088 0.825 1.00 0.00 H new ATOM 0 HE ARG A 41 11.382 -13.004 -0.819 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.504 -12.371 1.961 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.710 -14.089 2.316 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.700 -15.169 -0.386 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.690 -15.666 0.990 1.00 0.00 H new ATOM 691 N LEU A 42 11.640 -6.177 1.062 1.00 0.00 N ATOM 692 CA LEU A 42 11.582 -4.740 0.894 1.00 0.00 C ATOM 693 C LEU A 42 12.782 -4.059 1.539 1.00 0.00 C ATOM 694 O LEU A 42 13.446 -3.247 0.920 1.00 0.00 O ATOM 695 CB LEU A 42 10.272 -4.211 1.483 1.00 0.00 C ATOM 696 CG LEU A 42 8.996 -4.738 0.815 1.00 0.00 C ATOM 697 CD1 LEU A 42 7.767 -4.328 1.594 1.00 0.00 C ATOM 698 CD2 LEU A 42 8.896 -4.221 -0.601 1.00 0.00 C ATOM 0 H LEU A 42 10.875 -6.554 1.622 1.00 0.00 H new ATOM 0 HA LEU A 42 11.614 -4.510 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.240 -4.465 2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.275 -3.123 1.416 1.00 0.00 H new ATOM 0 HG LEU A 42 9.050 -5.827 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.876 -4.715 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.825 -4.733 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.712 -3.240 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.986 -4.602 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.868 -3.131 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.762 -4.556 -1.173 1.00 0.00 H new ATOM 710 N ARG A 43 13.094 -4.459 2.749 1.00 0.00 N ATOM 711 CA ARG A 43 14.175 -3.853 3.527 1.00 0.00 C ATOM 712 C ARG A 43 15.560 -4.335 3.043 1.00 0.00 C ATOM 713 O ARG A 43 16.601 -3.887 3.531 1.00 0.00 O ATOM 714 CB ARG A 43 13.948 -4.154 5.014 1.00 0.00 C ATOM 715 CG ARG A 43 14.827 -3.397 5.998 1.00 0.00 C ATOM 716 CD ARG A 43 14.717 -1.897 5.805 1.00 0.00 C ATOM 717 NE ARG A 43 15.251 -1.156 6.948 1.00 0.00 N ATOM 718 CZ ARG A 43 15.699 0.097 6.923 1.00 0.00 C ATOM 719 NH1 ARG A 43 15.965 0.689 5.765 1.00 0.00 N ATOM 720 NH2 ARG A 43 15.930 0.735 8.060 1.00 0.00 N ATOM 0 H ARG A 43 12.610 -5.216 3.233 1.00 0.00 H new ATOM 0 HA ARG A 43 14.163 -2.773 3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.906 -3.939 5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 43 14.098 -5.222 5.173 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.539 -3.655 7.017 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.865 -3.706 5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.255 -1.607 4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.672 -1.627 5.654 1.00 0.00 H new ATOM 0 HE ARG A 43 15.283 -1.643 7.844 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.826 0.183 4.890 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.308 1.649 5.750 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.765 0.266 8.951 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.273 1.695 8.045 1.00 0.00 H new ATOM 734 N ALA A 44 15.572 -5.246 2.115 1.00 0.00 N ATOM 735 CA ALA A 44 16.800 -5.629 1.474 1.00 0.00 C ATOM 736 C ALA A 44 16.943 -4.814 0.194 1.00 0.00 C ATOM 737 O ALA A 44 17.918 -4.090 -0.002 1.00 0.00 O ATOM 738 CB ALA A 44 16.808 -7.121 1.168 1.00 0.00 C ATOM 0 H ALA A 44 14.744 -5.740 1.783 1.00 0.00 H new ATOM 0 HA ALA A 44 17.642 -5.430 2.137 1.00 0.00 H new ATOM 0 HB1 ALA A 44 17.747 -7.388 0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 44 16.706 -7.683 2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.976 -7.361 0.505 1.00 0.00 H new ATOM 744 N THR A 45 15.900 -4.865 -0.622 1.00 0.00 N ATOM 745 CA THR A 45 15.866 -4.217 -1.928 1.00 0.00 C ATOM 746 C THR A 45 16.024 -2.676 -1.813 1.00 0.00 C ATOM 747 O THR A 45 16.657 -2.049 -2.670 1.00 0.00 O ATOM 748 CB THR A 45 14.537 -4.576 -2.650 1.00 0.00 C ATOM 749 OG1 THR A 45 14.365 -6.016 -2.635 1.00 0.00 O ATOM 750 CG2 THR A 45 14.542 -4.105 -4.098 1.00 0.00 C ATOM 0 H THR A 45 15.041 -5.365 -0.393 1.00 0.00 H new ATOM 0 HA THR A 45 16.710 -4.583 -2.512 1.00 0.00 H new ATOM 0 HB THR A 45 13.722 -4.077 -2.125 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.971 -6.290 -1.780 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.597 -4.373 -4.571 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.669 -3.023 -4.128 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.364 -4.581 -4.633 1.00 0.00 H new ATOM 758 N CYS A 46 15.518 -2.110 -0.711 1.00 0.00 N ATOM 759 CA CYS A 46 15.512 -0.684 -0.460 1.00 0.00 C ATOM 760 C CYS A 46 16.906 -0.071 -0.535 1.00 0.00 C ATOM 761 O CYS A 46 17.098 1.045 -1.028 1.00 0.00 O ATOM 762 CB CYS A 46 14.918 -0.454 0.926 1.00 0.00 C ATOM 763 SG CYS A 46 15.850 -1.167 2.301 1.00 0.00 S ATOM 0 H CYS A 46 15.094 -2.653 0.042 1.00 0.00 H new ATOM 0 HA CYS A 46 14.916 -0.198 -1.232 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.827 0.620 1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.909 -0.865 0.942 1.00 0.00 H new ATOM 0 HG CYS A 46 16.395 -0.213 2.997 1.00 0.00 H new ATOM 769 N THR A 47 17.857 -0.807 -0.046 1.00 0.00 N ATOM 770 CA THR A 47 19.219 -0.363 0.027 1.00 0.00 C ATOM 771 C THR A 47 20.017 -0.835 -1.209 1.00 0.00 C ATOM 772 O THR A 47 21.058 -0.259 -1.560 1.00 0.00 O ATOM 773 CB THR A 47 19.844 -0.941 1.304 1.00 0.00 C ATOM 774 OG1 THR A 47 18.918 -0.766 2.405 1.00 0.00 O ATOM 775 CG2 THR A 47 21.147 -0.236 1.641 1.00 0.00 C ATOM 0 H THR A 47 17.708 -1.748 0.320 1.00 0.00 H new ATOM 0 HA THR A 47 19.247 0.726 0.048 1.00 0.00 H new ATOM 0 HB THR A 47 20.051 -1.998 1.140 1.00 0.00 H new ATOM 0 HG1 THR A 47 18.053 -1.163 2.171 1.00 0.00 H new ATOM 0 HG21 THR A 47 21.568 -0.665 2.550 1.00 0.00 H new ATOM 0 HG22 THR A 47 21.852 -0.362 0.819 1.00 0.00 H new ATOM 0 HG23 THR A 47 20.957 0.826 1.796 1.00 0.00 H new ATOM 783 N LEU A 48 19.511 -1.848 -1.870 1.00 0.00 N ATOM 784 CA LEU A 48 20.189 -2.439 -3.005 1.00 0.00 C ATOM 785 C LEU A 48 19.960 -1.639 -4.280 1.00 0.00 C ATOM 786 O LEU A 48 20.902 -1.057 -4.827 1.00 0.00 O ATOM 787 CB LEU A 48 19.763 -3.898 -3.188 1.00 0.00 C ATOM 788 CG LEU A 48 20.147 -4.861 -2.056 1.00 0.00 C ATOM 789 CD1 LEU A 48 19.593 -6.245 -2.325 1.00 0.00 C ATOM 790 CD2 LEU A 48 21.658 -4.922 -1.879 1.00 0.00 C ATOM 0 H LEU A 48 18.620 -2.287 -1.639 1.00 0.00 H new ATOM 0 HA LEU A 48 21.259 -2.416 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 48 18.680 -3.926 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.198 -4.269 -4.116 1.00 0.00 H new ATOM 0 HG LEU A 48 19.711 -4.483 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 48 19.875 -6.914 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.506 -6.195 -2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.998 -6.623 -3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 48 21.902 -5.611 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 48 22.119 -5.269 -2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 48 22.036 -3.929 -1.636 1.00 0.00 H new ATOM 802 N SER A 49 18.741 -1.583 -4.735 1.00 0.00 N ATOM 803 CA SER A 49 18.438 -0.874 -5.944 1.00 0.00 C ATOM 804 C SER A 49 18.149 0.587 -5.627 1.00 0.00 C ATOM 805 O SER A 49 18.929 1.484 -5.974 1.00 0.00 O ATOM 806 CB SER A 49 17.259 -1.554 -6.646 1.00 0.00 C ATOM 807 OG SER A 49 16.195 -1.796 -5.723 1.00 0.00 O ATOM 0 H SER A 49 17.938 -2.022 -4.284 1.00 0.00 H new ATOM 0 HA SER A 49 19.292 -0.898 -6.621 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.903 -0.925 -7.462 1.00 0.00 H new ATOM 0 HB3 SER A 49 17.586 -2.495 -7.088 1.00 0.00 H new ATOM 0 HG SER A 49 15.394 -2.077 -6.213 1.00 0.00 H new ATOM 813 N GLY A 50 17.071 0.802 -4.930 1.00 0.00 N ATOM 814 CA GLY A 50 16.664 2.098 -4.542 1.00 0.00 C ATOM 815 C GLY A 50 15.316 2.022 -3.904 1.00 0.00 C ATOM 816 O GLY A 50 14.618 1.001 -4.037 1.00 0.00 O ATOM 0 H GLY A 50 16.447 0.059 -4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.385 2.525 -3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 50 16.632 2.757 -5.410 1.00 0.00 H new ATOM 820 N ASN A 51 14.917 3.073 -3.248 1.00 0.00 N ATOM 821 CA ASN A 51 13.665 3.077 -2.512 1.00 0.00 C ATOM 822 C ASN A 51 12.492 3.101 -3.491 1.00 0.00 C ATOM 823 O ASN A 51 11.480 2.442 -3.289 1.00 0.00 O ATOM 824 CB ASN A 51 13.570 4.299 -1.615 1.00 0.00 C ATOM 825 CG ASN A 51 12.772 4.053 -0.376 1.00 0.00 C ATOM 826 OD1 ASN A 51 12.856 2.997 0.251 1.00 0.00 O ATOM 827 ND2 ASN A 51 11.959 4.973 -0.030 1.00 0.00 N ATOM 0 H ASN A 51 15.438 3.949 -3.202 1.00 0.00 H new ATOM 0 HA ASN A 51 13.630 2.177 -1.899 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.575 4.617 -1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 51 13.119 5.119 -2.174 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.358 4.843 0.784 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.910 5.839 -0.567 1.00 0.00 H new ATOM 834 N ARG A 52 12.666 3.836 -4.580 1.00 0.00 N ATOM 835 CA ARG A 52 11.633 3.988 -5.610 1.00 0.00 C ATOM 836 C ARG A 52 11.422 2.672 -6.353 1.00 0.00 C ATOM 837 O ARG A 52 10.313 2.346 -6.782 1.00 0.00 O ATOM 838 CB ARG A 52 12.024 5.108 -6.577 1.00 0.00 C ATOM 839 CG ARG A 52 11.036 5.377 -7.698 1.00 0.00 C ATOM 840 CD ARG A 52 11.528 6.514 -8.580 1.00 0.00 C ATOM 841 NE ARG A 52 11.695 7.768 -7.820 1.00 0.00 N ATOM 842 CZ ARG A 52 12.677 8.675 -8.031 1.00 0.00 C ATOM 843 NH1 ARG A 52 13.584 8.464 -8.981 1.00 0.00 N ATOM 844 NH2 ARG A 52 12.758 9.777 -7.278 1.00 0.00 N ATOM 0 H ARG A 52 13.526 4.347 -4.780 1.00 0.00 H new ATOM 0 HA ARG A 52 10.691 4.257 -5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.158 6.027 -6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.990 4.863 -7.018 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.902 4.476 -8.297 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.062 5.629 -7.279 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.479 6.236 -9.034 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.821 6.674 -9.394 1.00 0.00 H new ATOM 0 HE ARG A 52 11.020 7.966 -7.081 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.539 7.619 -9.550 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.324 9.147 -9.140 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.076 9.940 -6.537 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.502 10.455 -7.444 1.00 0.00 H new ATOM 858 N ASP A 53 12.486 1.924 -6.500 1.00 0.00 N ATOM 859 CA ASP A 53 12.423 0.600 -7.106 1.00 0.00 C ATOM 860 C ASP A 53 11.678 -0.339 -6.179 1.00 0.00 C ATOM 861 O ASP A 53 10.853 -1.148 -6.605 1.00 0.00 O ATOM 862 CB ASP A 53 13.831 0.075 -7.391 1.00 0.00 C ATOM 863 CG ASP A 53 13.839 -1.304 -8.018 1.00 0.00 C ATOM 864 OD1 ASP A 53 13.671 -1.415 -9.255 1.00 0.00 O ATOM 865 OD2 ASP A 53 14.042 -2.290 -7.297 1.00 0.00 O ATOM 0 H ASP A 53 13.421 2.206 -6.207 1.00 0.00 H new ATOM 0 HA ASP A 53 11.890 0.661 -8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.344 0.771 -8.054 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.397 0.047 -6.460 1.00 0.00 H new ATOM 870 N THR A 54 11.906 -0.158 -4.903 1.00 0.00 N ATOM 871 CA THR A 54 11.277 -0.952 -3.886 1.00 0.00 C ATOM 872 C THR A 54 9.761 -0.635 -3.784 1.00 0.00 C ATOM 873 O THR A 54 8.982 -1.476 -3.360 1.00 0.00 O ATOM 874 CB THR A 54 11.996 -0.758 -2.537 1.00 0.00 C ATOM 875 OG1 THR A 54 13.387 -1.012 -2.739 1.00 0.00 O ATOM 876 CG2 THR A 54 11.489 -1.739 -1.498 1.00 0.00 C ATOM 0 H THR A 54 12.541 0.553 -4.540 1.00 0.00 H new ATOM 0 HA THR A 54 11.363 -2.003 -4.163 1.00 0.00 H new ATOM 0 HB THR A 54 11.812 0.256 -2.183 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.792 -0.257 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.015 -1.577 -0.557 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.420 -1.588 -1.346 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.666 -2.758 -1.842 1.00 0.00 H new ATOM 884 N LEU A 55 9.351 0.560 -4.227 1.00 0.00 N ATOM 885 CA LEU A 55 7.922 0.936 -4.266 1.00 0.00 C ATOM 886 C LEU A 55 7.107 -0.063 -5.072 1.00 0.00 C ATOM 887 O LEU A 55 6.028 -0.481 -4.657 1.00 0.00 O ATOM 888 CB LEU A 55 7.721 2.365 -4.805 1.00 0.00 C ATOM 889 CG LEU A 55 8.121 3.487 -3.847 1.00 0.00 C ATOM 890 CD1 LEU A 55 8.076 4.830 -4.529 1.00 0.00 C ATOM 891 CD2 LEU A 55 7.153 3.525 -2.717 1.00 0.00 C ATOM 0 H LEU A 55 9.983 1.286 -4.564 1.00 0.00 H new ATOM 0 HA LEU A 55 7.560 0.916 -3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.296 2.473 -5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.671 2.492 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 55 9.136 3.290 -3.502 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.366 5.607 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.765 4.833 -5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.064 5.023 -4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.430 4.323 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.151 3.710 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.169 2.570 -2.192 1.00 0.00 H new ATOM 903 N TRP A 56 7.676 -0.525 -6.169 1.00 0.00 N ATOM 904 CA TRP A 56 7.025 -1.484 -7.035 1.00 0.00 C ATOM 905 C TRP A 56 6.995 -2.878 -6.410 1.00 0.00 C ATOM 906 O TRP A 56 6.372 -3.788 -6.926 1.00 0.00 O ATOM 907 CB TRP A 56 7.723 -1.519 -8.382 1.00 0.00 C ATOM 908 CG TRP A 56 7.597 -0.245 -9.146 1.00 0.00 C ATOM 909 CD1 TRP A 56 8.428 0.831 -9.102 1.00 0.00 C ATOM 910 CD2 TRP A 56 6.565 0.081 -10.069 1.00 0.00 C ATOM 911 NE1 TRP A 56 7.972 1.811 -9.946 1.00 0.00 N ATOM 912 CE2 TRP A 56 6.828 1.372 -10.553 1.00 0.00 C ATOM 913 CE3 TRP A 56 5.441 -0.601 -10.533 1.00 0.00 C ATOM 914 CZ2 TRP A 56 6.006 1.998 -11.480 1.00 0.00 C ATOM 915 CZ3 TRP A 56 4.626 0.019 -11.455 1.00 0.00 C ATOM 916 CH2 TRP A 56 4.912 1.306 -11.919 1.00 0.00 C ATOM 0 H TRP A 56 8.605 -0.244 -6.484 1.00 0.00 H new ATOM 0 HA TRP A 56 5.991 -1.168 -7.174 1.00 0.00 H new ATOM 0 HB2 TRP A 56 8.779 -1.740 -8.230 1.00 0.00 H new ATOM 0 HB3 TRP A 56 7.309 -2.333 -8.977 1.00 0.00 H new ATOM 0 HD1 TRP A 56 9.316 0.903 -8.492 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.414 2.718 -10.096 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.214 -1.595 -10.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.222 2.993 -11.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.753 -0.498 -11.825 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.253 1.765 -12.641 1.00 0.00 H new ATOM 927 N HIS A 57 7.677 -3.035 -5.311 1.00 0.00 N ATOM 928 CA HIS A 57 7.705 -4.294 -4.599 1.00 0.00 C ATOM 929 C HIS A 57 6.857 -4.183 -3.333 1.00 0.00 C ATOM 930 O HIS A 57 6.465 -5.180 -2.753 1.00 0.00 O ATOM 931 CB HIS A 57 9.157 -4.686 -4.256 1.00 0.00 C ATOM 932 CG HIS A 57 10.037 -4.915 -5.461 1.00 0.00 C ATOM 933 ND1 HIS A 57 10.839 -3.944 -6.041 1.00 0.00 N ATOM 934 CD2 HIS A 57 10.231 -6.036 -6.196 1.00 0.00 C ATOM 935 CE1 HIS A 57 11.470 -4.490 -7.073 1.00 0.00 C ATOM 936 NE2 HIS A 57 11.139 -5.761 -7.218 1.00 0.00 N ATOM 0 H HIS A 57 8.232 -2.297 -4.878 1.00 0.00 H new ATOM 0 HA HIS A 57 7.288 -5.076 -5.234 1.00 0.00 H new ATOM 0 HB2 HIS A 57 9.598 -3.901 -3.642 1.00 0.00 H new ATOM 0 HB3 HIS A 57 9.144 -5.593 -3.652 1.00 0.00 H new ATOM 0 HD2 HIS A 57 9.758 -6.991 -6.019 1.00 0.00 H new ATOM 0 HE1 HIS A 57 12.164 -3.964 -7.712 1.00 0.00 H new ATOM 0 HE2 HIS A 57 11.478 -6.408 -7.930 1.00 0.00 H new ATOM 944 N LEU A 58 6.570 -2.944 -2.944 1.00 0.00 N ATOM 945 CA LEU A 58 5.794 -2.622 -1.742 1.00 0.00 C ATOM 946 C LEU A 58 4.318 -2.739 -2.033 1.00 0.00 C ATOM 947 O LEU A 58 3.579 -3.390 -1.312 1.00 0.00 O ATOM 948 CB LEU A 58 6.112 -1.185 -1.307 1.00 0.00 C ATOM 949 CG LEU A 58 5.315 -0.619 -0.113 1.00 0.00 C ATOM 950 CD1 LEU A 58 5.657 -1.338 1.182 1.00 0.00 C ATOM 951 CD2 LEU A 58 5.532 0.884 0.023 1.00 0.00 C ATOM 0 H LEU A 58 6.874 -2.119 -3.461 1.00 0.00 H new ATOM 0 HA LEU A 58 6.058 -3.319 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.173 -1.133 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.951 -0.529 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 58 4.258 -0.794 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.076 -0.911 2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.421 -2.397 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.720 -1.221 1.393 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.960 1.259 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.591 1.086 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.200 1.383 -0.887 1.00 0.00 H new ATOM 963 N PHE A 59 3.900 -2.074 -3.095 1.00 0.00 N ATOM 964 CA PHE A 59 2.506 -2.114 -3.531 1.00 0.00 C ATOM 965 C PHE A 59 2.148 -3.506 -4.049 1.00 0.00 C ATOM 966 O PHE A 59 0.989 -3.951 -3.990 1.00 0.00 O ATOM 967 CB PHE A 59 2.237 -1.030 -4.580 1.00 0.00 C ATOM 968 CG PHE A 59 2.280 0.371 -4.023 1.00 0.00 C ATOM 969 CD1 PHE A 59 1.141 0.940 -3.489 1.00 0.00 C ATOM 970 CD2 PHE A 59 3.450 1.111 -4.029 1.00 0.00 C ATOM 971 CE1 PHE A 59 1.165 2.217 -2.973 1.00 0.00 C ATOM 972 CE2 PHE A 59 3.482 2.391 -3.513 1.00 0.00 C ATOM 973 CZ PHE A 59 2.339 2.944 -2.984 1.00 0.00 C ATOM 0 H PHE A 59 4.506 -1.496 -3.677 1.00 0.00 H new ATOM 0 HA PHE A 59 1.864 -1.906 -2.675 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.974 -1.118 -5.378 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.259 -1.204 -5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.220 0.377 -3.476 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.350 0.681 -4.443 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.266 2.650 -2.560 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.402 2.957 -3.525 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.360 3.945 -2.578 1.00 0.00 H new ATOM 983 N ASN A 60 3.154 -4.186 -4.528 1.00 0.00 N ATOM 984 CA ASN A 60 3.036 -5.555 -4.966 1.00 0.00 C ATOM 985 C ASN A 60 2.988 -6.431 -3.718 1.00 0.00 C ATOM 986 O ASN A 60 3.655 -6.136 -2.745 1.00 0.00 O ATOM 987 CB ASN A 60 4.248 -5.927 -5.825 1.00 0.00 C ATOM 988 CG ASN A 60 4.186 -7.323 -6.410 1.00 0.00 C ATOM 989 OD1 ASN A 60 4.588 -8.290 -5.775 1.00 0.00 O ATOM 990 ND2 ASN A 60 3.743 -7.429 -7.637 1.00 0.00 N ATOM 0 H ASN A 60 4.093 -3.801 -4.627 1.00 0.00 H new ATOM 0 HA ASN A 60 2.137 -5.696 -5.565 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.338 -5.207 -6.639 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.150 -5.838 -5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.725 -8.340 -8.096 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.416 -6.601 -8.135 1.00 0.00 H new ATOM 997 N THR A 61 2.144 -7.437 -3.734 1.00 0.00 N ATOM 998 CA THR A 61 1.946 -8.368 -2.614 1.00 0.00 C ATOM 999 C THR A 61 0.996 -7.779 -1.561 1.00 0.00 C ATOM 1000 O THR A 61 0.160 -8.493 -0.998 1.00 0.00 O ATOM 1001 CB THR A 61 3.295 -8.874 -1.996 1.00 0.00 C ATOM 1002 OG1 THR A 61 3.997 -9.671 -2.970 1.00 0.00 O ATOM 1003 CG2 THR A 61 3.074 -9.695 -0.741 1.00 0.00 C ATOM 0 H THR A 61 1.555 -7.648 -4.540 1.00 0.00 H new ATOM 0 HA THR A 61 1.464 -9.257 -3.021 1.00 0.00 H new ATOM 0 HB THR A 61 3.884 -7.999 -1.721 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.122 -9.150 -3.790 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.036 -10.024 -0.348 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.565 -9.087 0.007 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.462 -10.565 -0.979 1.00 0.00 H new ATOM 1011 N LEU A 62 1.078 -6.478 -1.367 1.00 0.00 N ATOM 1012 CA LEU A 62 0.243 -5.761 -0.482 1.00 0.00 C ATOM 1013 C LEU A 62 -1.198 -5.916 -0.918 1.00 0.00 C ATOM 1014 O LEU A 62 -2.062 -6.281 -0.138 1.00 0.00 O ATOM 1015 CB LEU A 62 0.641 -4.324 -0.571 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.125 -3.398 0.333 1.00 0.00 C ATOM 1017 CD1 LEU A 62 0.136 -3.681 1.806 1.00 0.00 C ATOM 1018 CD2 LEU A 62 0.112 -1.953 -0.011 1.00 0.00 C ATOM 0 H LEU A 62 1.758 -5.889 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 62 0.342 -6.130 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.702 -4.241 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.514 -3.990 -1.601 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.182 -3.599 0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.440 -2.986 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.163 -4.703 2.039 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.198 -3.557 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.460 -1.319 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.173 -1.725 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.205 -1.767 -1.037 1.00 0.00 H new ATOM 1030 N GLN A 63 -1.414 -5.715 -2.202 1.00 0.00 N ATOM 1031 CA GLN A 63 -2.728 -5.841 -2.814 1.00 0.00 C ATOM 1032 C GLN A 63 -3.274 -7.274 -2.741 1.00 0.00 C ATOM 1033 O GLN A 63 -4.453 -7.504 -2.980 1.00 0.00 O ATOM 1034 CB GLN A 63 -2.682 -5.367 -4.257 1.00 0.00 C ATOM 1035 CG GLN A 63 -1.609 -6.047 -5.092 1.00 0.00 C ATOM 1036 CD GLN A 63 -1.619 -5.590 -6.524 1.00 0.00 C ATOM 1037 OE1 GLN A 63 -2.657 -5.256 -7.070 1.00 0.00 O ATOM 1038 NE2 GLN A 63 -0.474 -5.559 -7.135 1.00 0.00 N ATOM 0 H GLN A 63 -0.678 -5.457 -2.859 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.410 -5.209 -2.245 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.654 -5.542 -4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.512 -4.290 -4.271 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.631 -5.844 -4.656 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.756 -7.127 -5.057 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.373 -5.846 -6.645 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.422 -5.247 -8.105 1.00 0.00 H new ATOM 1047 N ARG A 64 -2.419 -8.233 -2.397 1.00 0.00 N ATOM 1048 CA ARG A 64 -2.844 -9.613 -2.282 1.00 0.00 C ATOM 1049 C ARG A 64 -3.476 -9.851 -0.927 1.00 0.00 C ATOM 1050 O ARG A 64 -4.335 -10.723 -0.771 1.00 0.00 O ATOM 1051 CB ARG A 64 -1.690 -10.595 -2.481 1.00 0.00 C ATOM 1052 CG ARG A 64 -1.067 -10.570 -3.859 1.00 0.00 C ATOM 1053 CD ARG A 64 -0.075 -11.709 -4.020 1.00 0.00 C ATOM 1054 NE ARG A 64 -0.727 -13.007 -3.813 1.00 0.00 N ATOM 1055 CZ ARG A 64 -0.110 -14.171 -3.579 1.00 0.00 C ATOM 1056 NH1 ARG A 64 1.209 -14.268 -3.649 1.00 0.00 N ATOM 1057 NH2 ARG A 64 -0.832 -15.246 -3.290 1.00 0.00 N ATOM 0 H ARG A 64 -1.432 -8.075 -2.195 1.00 0.00 H new ATOM 0 HA ARG A 64 -3.573 -9.790 -3.073 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.917 -10.379 -1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.051 -11.604 -2.279 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.846 -10.650 -4.617 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.563 -9.617 -4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.366 -11.674 -5.016 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.740 -11.590 -3.306 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.746 -13.024 -3.851 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.769 -13.448 -3.884 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.665 -15.162 -3.468 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.849 -15.181 -3.248 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.370 -16.137 -3.110 1.00 0.00 H new ATOM 1071 N ARG A 65 -3.109 -9.026 0.020 1.00 0.00 N ATOM 1072 CA ARG A 65 -3.561 -9.168 1.383 1.00 0.00 C ATOM 1073 C ARG A 65 -5.031 -8.736 1.474 1.00 0.00 C ATOM 1074 O ARG A 65 -5.508 -7.958 0.625 1.00 0.00 O ATOM 1075 CB ARG A 65 -2.686 -8.306 2.309 1.00 0.00 C ATOM 1076 CG ARG A 65 -1.185 -8.505 2.108 1.00 0.00 C ATOM 1077 CD ARG A 65 -0.724 -9.912 2.448 1.00 0.00 C ATOM 1078 NE ARG A 65 -0.702 -10.150 3.893 1.00 0.00 N ATOM 1079 CZ ARG A 65 -0.524 -11.339 4.475 1.00 0.00 C ATOM 1080 NH1 ARG A 65 -0.507 -12.457 3.740 1.00 0.00 N ATOM 1081 NH2 ARG A 65 -0.381 -11.405 5.800 1.00 0.00 N ATOM 0 H ARG A 65 -2.486 -8.233 -0.132 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.477 -10.209 1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.928 -7.256 2.146 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.937 -8.534 3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.930 -8.285 1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.643 -7.791 2.728 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.386 -10.635 1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 65 0.273 -10.075 2.039 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.833 -9.343 4.504 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.630 -12.405 2.729 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -0.371 -13.362 4.191 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.408 -10.552 6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.245 -12.308 6.254 1.00 0.00 H new ATOM 1095 N PRO A 66 -5.790 -9.265 2.431 1.00 0.00 N ATOM 1096 CA PRO A 66 -7.169 -8.883 2.624 1.00 0.00 C ATOM 1097 C PRO A 66 -7.278 -7.614 3.457 1.00 0.00 C ATOM 1098 O PRO A 66 -6.744 -7.542 4.578 1.00 0.00 O ATOM 1099 CB PRO A 66 -7.784 -10.071 3.387 1.00 0.00 C ATOM 1100 CG PRO A 66 -6.675 -11.051 3.568 1.00 0.00 C ATOM 1101 CD PRO A 66 -5.398 -10.289 3.395 1.00 0.00 C ATOM 0 HA PRO A 66 -7.672 -8.673 1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.186 -9.753 4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.609 -10.512 2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.721 -11.510 4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.747 -11.857 2.838 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.050 -9.856 4.333 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.593 -10.920 3.017 1.00 0.00 H new ATOM 1109 N GLY A 67 -7.929 -6.619 2.892 1.00 0.00 N ATOM 1110 CA GLY A 67 -8.184 -5.363 3.592 1.00 0.00 C ATOM 1111 C GLY A 67 -6.926 -4.618 3.989 1.00 0.00 C ATOM 1112 O GLY A 67 -6.884 -3.984 5.043 1.00 0.00 O ATOM 0 H GLY A 67 -8.297 -6.650 1.941 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.790 -4.719 2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.771 -5.569 4.487 1.00 0.00 H new ATOM 1116 N TRP A 68 -5.918 -4.664 3.119 1.00 0.00 N ATOM 1117 CA TRP A 68 -4.611 -4.025 3.359 1.00 0.00 C ATOM 1118 C TRP A 68 -4.723 -2.533 3.636 1.00 0.00 C ATOM 1119 O TRP A 68 -3.886 -1.957 4.341 1.00 0.00 O ATOM 1120 CB TRP A 68 -3.641 -4.254 2.166 1.00 0.00 C ATOM 1121 CG TRP A 68 -4.175 -3.876 0.799 1.00 0.00 C ATOM 1122 CD1 TRP A 68 -4.847 -4.686 -0.069 1.00 0.00 C ATOM 1123 CD2 TRP A 68 -4.049 -2.604 0.133 1.00 0.00 C ATOM 1124 NE1 TRP A 68 -5.154 -3.999 -1.219 1.00 0.00 N ATOM 1125 CE2 TRP A 68 -4.680 -2.722 -1.117 1.00 0.00 C ATOM 1126 CE3 TRP A 68 -3.473 -1.376 0.478 1.00 0.00 C ATOM 1127 CZ2 TRP A 68 -4.750 -1.666 -2.021 1.00 0.00 C ATOM 1128 CZ3 TRP A 68 -3.544 -0.330 -0.423 1.00 0.00 C ATOM 1129 CH2 TRP A 68 -4.180 -0.481 -1.657 1.00 0.00 C ATOM 0 H TRP A 68 -5.978 -5.146 2.222 1.00 0.00 H new ATOM 0 HA TRP A 68 -4.210 -4.503 4.253 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -2.730 -3.685 2.349 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -3.361 -5.307 2.147 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -5.101 -5.718 0.120 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -5.656 -4.382 -2.021 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -2.982 -1.248 1.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -5.239 -1.781 -2.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -3.100 0.621 -0.168 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -4.222 0.357 -2.337 1.00 0.00 H new ATOM 1140 N VAL A 69 -5.781 -1.932 3.122 1.00 0.00 N ATOM 1141 CA VAL A 69 -5.930 -0.493 3.153 1.00 0.00 C ATOM 1142 C VAL A 69 -5.914 0.122 4.564 1.00 0.00 C ATOM 1143 O VAL A 69 -5.238 1.120 4.773 1.00 0.00 O ATOM 1144 CB VAL A 69 -7.164 -0.021 2.380 1.00 0.00 C ATOM 1145 CG1 VAL A 69 -7.174 1.495 2.296 1.00 0.00 C ATOM 1146 CG2 VAL A 69 -7.190 -0.638 0.992 1.00 0.00 C ATOM 0 H VAL A 69 -6.554 -2.425 2.675 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.037 -0.123 2.650 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.059 -0.346 2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.055 1.823 1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.198 1.915 3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.276 1.837 1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.074 -0.292 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -6.295 -0.341 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.220 -1.724 1.077 1.00 0.00 H new ATOM 1156 N GLU A 70 -6.602 -0.487 5.541 1.00 0.00 N ATOM 1157 CA GLU A 70 -6.666 0.087 6.874 1.00 0.00 C ATOM 1158 C GLU A 70 -5.291 0.177 7.519 1.00 0.00 C ATOM 1159 O GLU A 70 -4.980 1.150 8.222 1.00 0.00 O ATOM 1160 CB GLU A 70 -7.592 -0.690 7.767 1.00 0.00 C ATOM 1161 CG GLU A 70 -9.051 -0.665 7.369 1.00 0.00 C ATOM 1162 CD GLU A 70 -9.931 -1.150 8.497 1.00 0.00 C ATOM 1163 OE1 GLU A 70 -10.002 -2.370 8.741 1.00 0.00 O ATOM 1164 OE2 GLU A 70 -10.527 -0.304 9.192 1.00 0.00 O ATOM 0 H GLU A 70 -7.112 -1.363 5.427 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.059 1.097 6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.258 -1.727 7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.503 -0.300 8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.338 0.349 7.090 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.202 -1.292 6.490 1.00 0.00 H new ATOM 1171 N TYR A 71 -4.465 -0.818 7.263 1.00 0.00 N ATOM 1172 CA TYR A 71 -3.142 -0.836 7.787 1.00 0.00 C ATOM 1173 C TYR A 71 -2.303 0.169 7.020 1.00 0.00 C ATOM 1174 O TYR A 71 -1.482 0.872 7.594 1.00 0.00 O ATOM 1175 CB TYR A 71 -2.518 -2.217 7.631 1.00 0.00 C ATOM 1176 CG TYR A 71 -3.322 -3.364 8.205 1.00 0.00 C ATOM 1177 CD1 TYR A 71 -3.187 -3.734 9.533 1.00 0.00 C ATOM 1178 CD2 TYR A 71 -4.205 -4.084 7.410 1.00 0.00 C ATOM 1179 CE1 TYR A 71 -3.908 -4.788 10.054 1.00 0.00 C ATOM 1180 CE2 TYR A 71 -4.927 -5.140 7.922 1.00 0.00 C ATOM 1181 CZ TYR A 71 -4.776 -5.487 9.245 1.00 0.00 C ATOM 1182 OH TYR A 71 -5.492 -6.543 9.762 1.00 0.00 O ATOM 0 H TYR A 71 -4.704 -1.626 6.688 1.00 0.00 H new ATOM 0 HA TYR A 71 -3.178 -0.585 8.847 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -2.356 -2.405 6.570 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -1.538 -2.209 8.107 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.507 -3.189 10.170 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.328 -3.811 6.372 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.792 -5.064 11.092 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.607 -5.692 7.289 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.059 -6.928 9.061 1.00 0.00 H new ATOM 1192 N PHE A 72 -2.550 0.237 5.721 1.00 0.00 N ATOM 1193 CA PHE A 72 -1.827 1.109 4.809 1.00 0.00 C ATOM 1194 C PHE A 72 -2.038 2.581 5.171 1.00 0.00 C ATOM 1195 O PHE A 72 -1.105 3.359 5.142 1.00 0.00 O ATOM 1196 CB PHE A 72 -2.247 0.804 3.366 1.00 0.00 C ATOM 1197 CG PHE A 72 -1.438 1.490 2.302 1.00 0.00 C ATOM 1198 CD1 PHE A 72 -0.110 1.151 2.100 1.00 0.00 C ATOM 1199 CD2 PHE A 72 -2.008 2.459 1.497 1.00 0.00 C ATOM 1200 CE1 PHE A 72 0.634 1.769 1.117 1.00 0.00 C ATOM 1201 CE2 PHE A 72 -1.269 3.080 0.508 1.00 0.00 C ATOM 1202 CZ PHE A 72 0.054 2.734 0.320 1.00 0.00 C ATOM 0 H PHE A 72 -3.271 -0.322 5.264 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.758 0.917 4.900 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.186 -0.273 3.207 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.293 1.086 3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.348 0.394 2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.042 2.734 1.643 1.00 0.00 H new ATOM 0 HE1 PHE A 72 1.669 1.498 0.971 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.725 3.834 -0.116 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.635 3.219 -0.451 1.00 0.00 H new ATOM 1212 N ILE A 73 -3.248 2.935 5.557 1.00 0.00 N ATOM 1213 CA ILE A 73 -3.562 4.302 5.994 1.00 0.00 C ATOM 1214 C ILE A 73 -2.680 4.687 7.188 1.00 0.00 C ATOM 1215 O ILE A 73 -2.049 5.751 7.212 1.00 0.00 O ATOM 1216 CB ILE A 73 -5.060 4.421 6.387 1.00 0.00 C ATOM 1217 CG1 ILE A 73 -5.936 4.102 5.174 1.00 0.00 C ATOM 1218 CG2 ILE A 73 -5.380 5.814 6.935 1.00 0.00 C ATOM 1219 CD1 ILE A 73 -7.411 4.019 5.474 1.00 0.00 C ATOM 0 H ILE A 73 -4.043 2.297 5.581 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.364 4.982 5.166 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.270 3.702 7.179 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.775 4.867 4.414 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.611 3.154 4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.436 5.867 7.201 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.773 6.005 7.820 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.160 6.563 6.175 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.956 3.789 4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.589 3.234 6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.756 4.974 5.872 1.00 0.00 H new ATOM 1231 N ALA A 74 -2.580 3.779 8.136 1.00 0.00 N ATOM 1232 CA ALA A 74 -1.787 4.002 9.324 1.00 0.00 C ATOM 1233 C ALA A 74 -0.292 3.866 9.016 1.00 0.00 C ATOM 1234 O ALA A 74 0.560 4.240 9.825 1.00 0.00 O ATOM 1235 CB ALA A 74 -2.213 3.046 10.417 1.00 0.00 C ATOM 0 H ALA A 74 -3.044 2.871 8.105 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.956 5.020 9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.611 3.221 11.308 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.265 3.208 10.652 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.071 2.020 10.078 1.00 0.00 H new ATOM 1241 N ALA A 75 0.016 3.352 7.839 1.00 0.00 N ATOM 1242 CA ALA A 75 1.380 3.207 7.400 1.00 0.00 C ATOM 1243 C ALA A 75 1.909 4.555 6.904 1.00 0.00 C ATOM 1244 O ALA A 75 2.998 4.984 7.312 1.00 0.00 O ATOM 1245 CB ALA A 75 1.510 2.116 6.340 1.00 0.00 C ATOM 0 H ALA A 75 -0.677 3.025 7.165 1.00 0.00 H new ATOM 0 HA ALA A 75 1.992 2.891 8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.552 2.032 6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.177 1.164 6.754 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.894 2.371 5.478 1.00 0.00 H new ATOM 1251 N LEU A 76 1.134 5.248 6.041 1.00 0.00 N ATOM 1252 CA LEU A 76 1.498 6.582 5.616 1.00 0.00 C ATOM 1253 C LEU A 76 1.488 7.535 6.794 1.00 0.00 C ATOM 1254 O LEU A 76 2.401 8.329 6.968 1.00 0.00 O ATOM 1255 CB LEU A 76 0.558 7.110 4.538 1.00 0.00 C ATOM 1256 CG LEU A 76 0.653 6.514 3.140 1.00 0.00 C ATOM 1257 CD1 LEU A 76 2.051 6.616 2.556 1.00 0.00 C ATOM 1258 CD2 LEU A 76 0.124 5.113 3.056 1.00 0.00 C ATOM 0 H LEU A 76 0.266 4.895 5.639 1.00 0.00 H new ATOM 0 HA LEU A 76 2.503 6.521 5.198 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.464 6.969 4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.721 8.184 4.453 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.001 7.129 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.062 6.176 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.344 7.664 2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.753 6.081 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.221 4.748 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.692 4.469 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.927 5.103 3.347 1.00 0.00 H new ATOM 1270 N ARG A 77 0.473 7.432 7.634 1.00 0.00 N ATOM 1271 CA ARG A 77 0.379 8.312 8.786 1.00 0.00 C ATOM 1272 C ARG A 77 1.497 8.022 9.780 1.00 0.00 C ATOM 1273 O ARG A 77 1.968 8.913 10.478 1.00 0.00 O ATOM 1274 CB ARG A 77 -0.996 8.230 9.437 1.00 0.00 C ATOM 1275 CG ARG A 77 -1.179 9.198 10.602 1.00 0.00 C ATOM 1276 CD ARG A 77 -2.632 9.337 11.010 1.00 0.00 C ATOM 1277 NE ARG A 77 -3.260 8.061 11.366 1.00 0.00 N ATOM 1278 CZ ARG A 77 -4.582 7.896 11.541 1.00 0.00 C ATOM 1279 NH1 ARG A 77 -5.398 8.946 11.435 1.00 0.00 N ATOM 1280 NH2 ARG A 77 -5.069 6.703 11.862 1.00 0.00 N ATOM 0 H ARG A 77 -0.288 6.758 7.543 1.00 0.00 H new ATOM 0 HA ARG A 77 0.505 9.338 8.440 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.758 8.433 8.684 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.161 7.213 9.792 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -0.596 8.851 11.455 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -0.787 10.176 10.324 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.700 10.017 11.859 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.190 9.793 10.192 1.00 0.00 H new ATOM 0 HE ARG A 77 -2.656 7.248 11.488 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -5.018 9.868 11.222 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.402 8.827 11.567 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.439 5.909 11.976 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.073 6.581 11.994 1.00 0.00 H new ATOM 1294 N GLY A 78 1.941 6.787 9.796 1.00 0.00 N ATOM 1295 CA GLY A 78 3.053 6.381 10.638 1.00 0.00 C ATOM 1296 C GLY A 78 4.352 7.084 10.257 1.00 0.00 C ATOM 1297 O GLY A 78 5.187 7.386 11.110 1.00 0.00 O ATOM 0 H GLY A 78 1.547 6.035 9.230 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.816 6.599 11.679 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.190 5.302 10.561 1.00 0.00 H new ATOM 1301 N CYS A 79 4.513 7.365 8.988 1.00 0.00 N ATOM 1302 CA CYS A 79 5.678 8.074 8.505 1.00 0.00 C ATOM 1303 C CYS A 79 5.369 9.570 8.318 1.00 0.00 C ATOM 1304 O CYS A 79 6.091 10.295 7.633 1.00 0.00 O ATOM 1305 CB CYS A 79 6.222 7.401 7.233 1.00 0.00 C ATOM 1306 SG CYS A 79 4.968 6.964 6.012 1.00 0.00 S ATOM 0 H CYS A 79 3.844 7.111 8.261 1.00 0.00 H new ATOM 0 HA CYS A 79 6.470 8.020 9.251 1.00 0.00 H new ATOM 0 HB2 CYS A 79 6.946 8.069 6.766 1.00 0.00 H new ATOM 0 HB3 CYS A 79 6.761 6.498 7.519 1.00 0.00 H new ATOM 0 HG CYS A 79 4.213 6.017 6.485 1.00 0.00 H new ATOM 1312 N GLU A 80 4.281 10.005 8.991 1.00 0.00 N ATOM 1313 CA GLU A 80 3.815 11.402 9.053 1.00 0.00 C ATOM 1314 C GLU A 80 3.280 11.922 7.717 1.00 0.00 C ATOM 1315 O GLU A 80 3.114 13.128 7.524 1.00 0.00 O ATOM 1316 CB GLU A 80 4.887 12.337 9.630 1.00 0.00 C ATOM 1317 CG GLU A 80 5.324 11.994 11.055 1.00 0.00 C ATOM 1318 CD GLU A 80 4.174 11.979 12.039 1.00 0.00 C ATOM 1319 OE1 GLU A 80 3.537 13.029 12.259 1.00 0.00 O ATOM 1320 OE2 GLU A 80 3.878 10.907 12.601 1.00 0.00 O ATOM 0 H GLU A 80 3.686 9.370 9.522 1.00 0.00 H new ATOM 0 HA GLU A 80 2.968 11.401 9.740 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.761 12.313 8.979 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.507 13.358 9.616 1.00 0.00 H new ATOM 0 HG2 GLU A 80 5.808 11.017 11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.068 12.719 11.385 1.00 0.00 H new ATOM 1327 N LEU A 81 2.961 11.025 6.829 1.00 0.00 N ATOM 1328 CA LEU A 81 2.386 11.382 5.556 1.00 0.00 C ATOM 1329 C LEU A 81 0.866 11.306 5.679 1.00 0.00 C ATOM 1330 O LEU A 81 0.222 10.334 5.268 1.00 0.00 O ATOM 1331 CB LEU A 81 2.921 10.461 4.459 1.00 0.00 C ATOM 1332 CG LEU A 81 4.446 10.485 4.271 1.00 0.00 C ATOM 1333 CD1 LEU A 81 4.890 9.349 3.390 1.00 0.00 C ATOM 1334 CD2 LEU A 81 4.898 11.810 3.668 1.00 0.00 C ATOM 0 H LEU A 81 3.091 10.022 6.964 1.00 0.00 H new ATOM 0 HA LEU A 81 2.665 12.398 5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.615 9.439 4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.450 10.735 3.515 1.00 0.00 H new ATOM 0 HG LEU A 81 4.904 10.372 5.253 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.973 9.384 3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.606 8.401 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.413 9.438 2.414 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.981 11.803 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.423 11.949 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.614 12.627 4.331 1.00 0.00 H new ATOM 1346 N VAL A 82 0.319 12.316 6.313 1.00 0.00 N ATOM 1347 CA VAL A 82 -1.091 12.370 6.668 1.00 0.00 C ATOM 1348 C VAL A 82 -1.981 12.537 5.442 1.00 0.00 C ATOM 1349 O VAL A 82 -3.052 11.920 5.353 1.00 0.00 O ATOM 1350 CB VAL A 82 -1.363 13.518 7.690 1.00 0.00 C ATOM 1351 CG1 VAL A 82 -2.824 13.550 8.130 1.00 0.00 C ATOM 1352 CG2 VAL A 82 -0.450 13.381 8.901 1.00 0.00 C ATOM 0 H VAL A 82 0.845 13.140 6.604 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.340 11.416 7.133 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.148 14.461 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.972 14.363 8.841 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.462 13.707 7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.082 12.603 8.603 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.653 14.190 9.603 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.633 12.423 9.388 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.590 13.432 8.580 1.00 0.00 H new ATOM 1362 N ASP A 83 -1.517 13.317 4.484 1.00 0.00 N ATOM 1363 CA ASP A 83 -2.310 13.611 3.290 1.00 0.00 C ATOM 1364 C ASP A 83 -2.492 12.357 2.441 1.00 0.00 C ATOM 1365 O ASP A 83 -3.604 12.059 1.989 1.00 0.00 O ATOM 1366 CB ASP A 83 -1.705 14.772 2.464 1.00 0.00 C ATOM 1367 CG ASP A 83 -0.414 14.435 1.747 1.00 0.00 C ATOM 1368 OD1 ASP A 83 0.522 13.899 2.385 1.00 0.00 O ATOM 1369 OD2 ASP A 83 -0.300 14.738 0.536 1.00 0.00 O ATOM 0 H ASP A 83 -0.599 13.761 4.502 1.00 0.00 H new ATOM 0 HA ASP A 83 -3.294 13.941 3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -2.440 15.096 1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -1.525 15.617 3.128 1.00 0.00 H new ATOM 1374 N LEU A 84 -1.415 11.599 2.279 1.00 0.00 N ATOM 1375 CA LEU A 84 -1.452 10.346 1.535 1.00 0.00 C ATOM 1376 C LEU A 84 -2.366 9.343 2.210 1.00 0.00 C ATOM 1377 O LEU A 84 -3.153 8.665 1.552 1.00 0.00 O ATOM 1378 CB LEU A 84 -0.047 9.768 1.377 1.00 0.00 C ATOM 1379 CG LEU A 84 0.895 10.561 0.476 1.00 0.00 C ATOM 1380 CD1 LEU A 84 2.284 9.956 0.491 1.00 0.00 C ATOM 1381 CD2 LEU A 84 0.364 10.570 -0.937 1.00 0.00 C ATOM 0 H LEU A 84 -0.497 11.833 2.657 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.850 10.556 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.406 9.687 2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.132 8.756 0.982 1.00 0.00 H new ATOM 0 HG LEU A 84 0.954 11.583 0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 84 2.940 10.536 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.675 9.969 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.237 8.927 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.040 11.138 -1.576 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.291 9.546 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.623 11.032 -0.952 1.00 0.00 H new ATOM 1393 N ALA A 85 -2.287 9.286 3.531 1.00 0.00 N ATOM 1394 CA ALA A 85 -3.127 8.401 4.317 1.00 0.00 C ATOM 1395 C ALA A 85 -4.599 8.735 4.095 1.00 0.00 C ATOM 1396 O ALA A 85 -5.433 7.850 3.900 1.00 0.00 O ATOM 1397 CB ALA A 85 -2.779 8.538 5.793 1.00 0.00 C ATOM 0 H ALA A 85 -1.642 9.850 4.084 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.951 7.373 4.001 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.412 7.872 6.379 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.733 8.273 5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.943 9.568 6.111 1.00 0.00 H new ATOM 1403 N ASP A 86 -4.887 10.022 4.068 1.00 0.00 N ATOM 1404 CA ASP A 86 -6.248 10.522 3.921 1.00 0.00 C ATOM 1405 C ASP A 86 -6.841 10.202 2.565 1.00 0.00 C ATOM 1406 O ASP A 86 -7.998 9.762 2.479 1.00 0.00 O ATOM 1407 CB ASP A 86 -6.305 12.028 4.157 1.00 0.00 C ATOM 1408 CG ASP A 86 -7.714 12.581 4.078 1.00 0.00 C ATOM 1409 OD1 ASP A 86 -8.447 12.509 5.095 1.00 0.00 O ATOM 1410 OD2 ASP A 86 -8.102 13.123 3.025 1.00 0.00 O ATOM 0 H ASP A 86 -4.184 10.756 4.147 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.844 10.011 4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.885 12.254 5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.680 12.531 3.419 1.00 0.00 H new ATOM 1415 N GLU A 87 -6.054 10.376 1.504 1.00 0.00 N ATOM 1416 CA GLU A 87 -6.587 10.191 0.161 1.00 0.00 C ATOM 1417 C GLU A 87 -6.945 8.734 -0.099 1.00 0.00 C ATOM 1418 O GLU A 87 -7.918 8.444 -0.794 1.00 0.00 O ATOM 1419 CB GLU A 87 -5.675 10.774 -0.947 1.00 0.00 C ATOM 1420 CG GLU A 87 -4.464 9.960 -1.364 1.00 0.00 C ATOM 1421 CD GLU A 87 -3.717 10.649 -2.492 1.00 0.00 C ATOM 1422 OE1 GLU A 87 -4.175 10.589 -3.663 1.00 0.00 O ATOM 1423 OE2 GLU A 87 -2.700 11.303 -2.228 1.00 0.00 O ATOM 0 H GLU A 87 -5.069 10.638 1.547 1.00 0.00 H new ATOM 0 HA GLU A 87 -7.508 10.772 0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.288 10.941 -1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.324 11.751 -0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.799 9.824 -0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.780 8.967 -1.683 1.00 0.00 H new ATOM 1430 N VAL A 88 -6.205 7.822 0.517 1.00 0.00 N ATOM 1431 CA VAL A 88 -6.482 6.411 0.361 1.00 0.00 C ATOM 1432 C VAL A 88 -7.660 6.021 1.272 1.00 0.00 C ATOM 1433 O VAL A 88 -8.499 5.181 0.909 1.00 0.00 O ATOM 1434 CB VAL A 88 -5.234 5.547 0.691 1.00 0.00 C ATOM 1435 CG1 VAL A 88 -5.510 4.077 0.428 1.00 0.00 C ATOM 1436 CG2 VAL A 88 -4.030 6.007 -0.118 1.00 0.00 C ATOM 0 H VAL A 88 -5.414 8.037 1.124 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.744 6.222 -0.680 1.00 0.00 H new ATOM 0 HB VAL A 88 -5.010 5.673 1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.622 3.492 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.341 3.746 1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.766 3.937 -0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.168 5.388 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.250 5.915 -1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.809 7.048 0.118 1.00 0.00 H new ATOM 1446 N ALA A 89 -7.742 6.682 2.424 1.00 0.00 N ATOM 1447 CA ALA A 89 -8.796 6.445 3.413 1.00 0.00 C ATOM 1448 C ALA A 89 -10.175 6.670 2.828 1.00 0.00 C ATOM 1449 O ALA A 89 -11.090 5.868 3.047 1.00 0.00 O ATOM 1450 CB ALA A 89 -8.599 7.334 4.636 1.00 0.00 C ATOM 0 H ALA A 89 -7.075 7.403 2.702 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.724 5.400 3.716 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.393 7.141 5.358 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.633 7.116 5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.630 8.381 4.334 1.00 0.00 H new ATOM 1456 N SER A 90 -10.312 7.735 2.064 1.00 0.00 N ATOM 1457 CA SER A 90 -11.577 8.089 1.450 1.00 0.00 C ATOM 1458 C SER A 90 -12.016 7.045 0.392 1.00 0.00 C ATOM 1459 O SER A 90 -13.211 6.811 0.202 1.00 0.00 O ATOM 1460 CB SER A 90 -11.458 9.480 0.835 1.00 0.00 C ATOM 1461 OG SER A 90 -10.994 10.413 1.807 1.00 0.00 O ATOM 0 H SER A 90 -9.551 8.379 1.851 1.00 0.00 H new ATOM 0 HA SER A 90 -12.351 8.096 2.218 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.771 9.453 -0.011 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.426 9.798 0.449 1.00 0.00 H new ATOM 0 HG SER A 90 -10.031 10.291 1.944 1.00 0.00 H new ATOM 1467 N VAL A 91 -11.041 6.392 -0.239 1.00 0.00 N ATOM 1468 CA VAL A 91 -11.314 5.399 -1.281 1.00 0.00 C ATOM 1469 C VAL A 91 -11.947 4.148 -0.672 1.00 0.00 C ATOM 1470 O VAL A 91 -13.024 3.717 -1.065 1.00 0.00 O ATOM 1471 CB VAL A 91 -10.008 4.984 -2.034 1.00 0.00 C ATOM 1472 CG1 VAL A 91 -10.298 4.002 -3.154 1.00 0.00 C ATOM 1473 CG2 VAL A 91 -9.285 6.189 -2.580 1.00 0.00 C ATOM 0 H VAL A 91 -10.049 6.533 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.001 5.858 -1.992 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.364 4.492 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.367 3.736 -3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.757 3.104 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.978 4.460 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.381 5.867 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.934 6.718 -3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.016 6.854 -1.760 1.00 0.00 H new ATOM 1483 N TYR A 92 -11.307 3.616 0.337 1.00 0.00 N ATOM 1484 CA TYR A 92 -11.737 2.361 0.946 1.00 0.00 C ATOM 1485 C TYR A 92 -12.852 2.607 1.971 1.00 0.00 C ATOM 1486 O TYR A 92 -13.351 1.702 2.616 1.00 0.00 O ATOM 1487 CB TYR A 92 -10.527 1.699 1.568 1.00 0.00 C ATOM 1488 CG TYR A 92 -10.697 0.267 2.017 1.00 0.00 C ATOM 1489 CD1 TYR A 92 -10.647 -0.772 1.099 1.00 0.00 C ATOM 1490 CD2 TYR A 92 -10.857 -0.046 3.354 1.00 0.00 C ATOM 1491 CE1 TYR A 92 -10.760 -2.086 1.498 1.00 0.00 C ATOM 1492 CE2 TYR A 92 -10.961 -1.360 3.768 1.00 0.00 C ATOM 1493 CZ TYR A 92 -10.913 -2.376 2.832 1.00 0.00 C ATOM 1494 OH TYR A 92 -11.009 -3.689 3.237 1.00 0.00 O ATOM 0 H TYR A 92 -10.478 4.028 0.765 1.00 0.00 H new ATOM 0 HA TYR A 92 -12.156 1.696 0.191 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.710 1.736 0.847 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -10.219 2.292 2.429 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.517 -0.546 0.051 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.901 0.748 4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -10.729 -2.881 0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.079 -1.592 4.816 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.112 -3.724 4.211 1.00 0.00 H new ATOM 1504 N GLN A 93 -13.213 3.854 2.124 1.00 0.00 N ATOM 1505 CA GLN A 93 -14.330 4.218 2.961 1.00 0.00 C ATOM 1506 C GLN A 93 -15.613 3.760 2.273 1.00 0.00 C ATOM 1507 O GLN A 93 -16.552 3.311 2.917 1.00 0.00 O ATOM 1508 CB GLN A 93 -14.366 5.727 3.191 1.00 0.00 C ATOM 1509 CG GLN A 93 -15.423 6.166 4.189 1.00 0.00 C ATOM 1510 CD GLN A 93 -15.523 7.668 4.316 1.00 0.00 C ATOM 1511 OE1 GLN A 93 -14.545 8.394 4.138 1.00 0.00 O ATOM 1512 NE2 GLN A 93 -16.689 8.142 4.627 1.00 0.00 N ATOM 0 H GLN A 93 -12.746 4.642 1.676 1.00 0.00 H new ATOM 0 HA GLN A 93 -14.231 3.736 3.934 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -13.388 6.056 3.542 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -14.547 6.227 2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -16.391 5.767 3.885 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -15.194 5.738 5.165 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -17.476 7.509 4.767 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -16.819 9.148 4.732 1.00 0.00 H new ATOM 1521 N SER A 94 -15.633 3.868 0.956 1.00 0.00 N ATOM 1522 CA SER A 94 -16.750 3.405 0.198 1.00 0.00 C ATOM 1523 C SER A 94 -16.594 1.925 -0.131 1.00 0.00 C ATOM 1524 O SER A 94 -17.563 1.161 -0.062 1.00 0.00 O ATOM 1525 CB SER A 94 -16.941 4.272 -1.045 1.00 0.00 C ATOM 1526 OG SER A 94 -15.687 4.578 -1.639 1.00 0.00 O ATOM 0 H SER A 94 -14.880 4.275 0.401 1.00 0.00 H new ATOM 0 HA SER A 94 -17.658 3.499 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 94 -17.573 3.751 -1.765 1.00 0.00 H new ATOM 0 HB3 SER A 94 -17.457 5.194 -0.776 1.00 0.00 H new ATOM 0 HG SER A 94 -15.828 5.132 -2.435 1.00 0.00 H new ATOM 1532 N TYR A 95 -15.377 1.511 -0.442 1.00 0.00 N ATOM 1533 CA TYR A 95 -15.099 0.115 -0.736 1.00 0.00 C ATOM 1534 C TYR A 95 -14.936 -0.685 0.543 1.00 0.00 C ATOM 1535 O TYR A 95 -13.829 -0.845 1.029 1.00 0.00 O ATOM 1536 CB TYR A 95 -13.856 -0.045 -1.620 1.00 0.00 C ATOM 1537 CG TYR A 95 -13.950 0.614 -2.970 1.00 0.00 C ATOM 1538 CD1 TYR A 95 -14.874 0.193 -3.909 1.00 0.00 C ATOM 1539 CD2 TYR A 95 -13.100 1.643 -3.312 1.00 0.00 C ATOM 1540 CE1 TYR A 95 -14.946 0.791 -5.146 1.00 0.00 C ATOM 1541 CE2 TYR A 95 -13.165 2.247 -4.543 1.00 0.00 C ATOM 1542 CZ TYR A 95 -14.088 1.818 -5.456 1.00 0.00 C ATOM 1543 OH TYR A 95 -14.154 2.418 -6.687 1.00 0.00 O ATOM 0 H TYR A 95 -14.563 2.124 -0.498 1.00 0.00 H new ATOM 0 HA TYR A 95 -15.955 -0.273 -1.288 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -12.996 0.365 -1.091 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -13.664 -1.108 -1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -15.548 -0.616 -3.668 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -12.366 1.982 -2.596 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -15.674 0.455 -5.870 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -12.492 3.055 -4.789 1.00 0.00 H new ATOM 0 HH TYR A 95 -13.479 3.126 -6.742 1.00 0.00 H new ATOM 1553 N GLN A 96 -16.072 -1.161 1.071 1.00 0.00 N ATOM 1554 CA GLN A 96 -16.157 -1.941 2.316 1.00 0.00 C ATOM 1555 C GLN A 96 -15.332 -1.334 3.455 1.00 0.00 C ATOM 1556 O GLN A 96 -14.199 -1.751 3.698 1.00 0.00 O ATOM 1557 CB GLN A 96 -15.809 -3.423 2.119 1.00 0.00 C ATOM 1558 CG GLN A 96 -16.763 -4.175 1.205 1.00 0.00 C ATOM 1559 CD GLN A 96 -16.447 -5.657 1.136 1.00 0.00 C ATOM 1560 OE1 GLN A 96 -15.672 -6.115 0.285 1.00 0.00 O ATOM 1561 NE2 GLN A 96 -17.025 -6.416 2.026 1.00 0.00 N ATOM 0 H GLN A 96 -16.981 -1.011 0.634 1.00 0.00 H new ATOM 0 HA GLN A 96 -17.205 -1.891 2.610 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -14.801 -3.496 1.711 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -15.795 -3.913 3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -17.785 -4.040 1.560 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -16.715 -3.749 0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -17.658 -6.006 2.713 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -16.844 -7.420 2.035 1.00 0.00 H new ATOM 1570 N PRO A 97 -15.907 -0.374 4.201 1.00 0.00 N ATOM 1571 CA PRO A 97 -15.177 0.360 5.266 1.00 0.00 C ATOM 1572 C PRO A 97 -14.860 -0.531 6.463 1.00 0.00 C ATOM 1573 O PRO A 97 -14.072 -0.177 7.335 1.00 0.00 O ATOM 1574 CB PRO A 97 -16.189 1.427 5.679 1.00 0.00 C ATOM 1575 CG PRO A 97 -17.499 0.783 5.411 1.00 0.00 C ATOM 1576 CD PRO A 97 -17.317 0.072 4.108 1.00 0.00 C ATOM 0 HA PRO A 97 -14.217 0.745 4.923 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.082 1.697 6.730 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -16.066 2.343 5.101 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.768 0.088 6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.298 1.522 5.350 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -18.005 -0.767 4.000 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.482 0.731 3.256 1.00 0.00 H new ATOM 1584 N ARG A 98 -15.490 -1.671 6.476 1.00 0.00 N ATOM 1585 CA ARG A 98 -15.387 -2.640 7.515 1.00 0.00 C ATOM 1586 C ARG A 98 -15.886 -3.944 6.933 1.00 0.00 C ATOM 1587 O ARG A 98 -16.612 -3.926 5.922 1.00 0.00 O ATOM 1588 CB ARG A 98 -16.295 -2.229 8.688 1.00 0.00 C ATOM 1589 CG ARG A 98 -17.762 -2.101 8.283 1.00 0.00 C ATOM 1590 CD ARG A 98 -18.659 -1.763 9.444 1.00 0.00 C ATOM 1591 NE ARG A 98 -20.063 -1.788 9.030 1.00 0.00 N ATOM 1592 CZ ARG A 98 -21.048 -1.082 9.582 1.00 0.00 C ATOM 1593 NH1 ARG A 98 -20.822 -0.349 10.662 1.00 0.00 N ATOM 1594 NH2 ARG A 98 -22.265 -1.142 9.058 1.00 0.00 N ATOM 0 H ARG A 98 -16.117 -1.958 5.724 1.00 0.00 H new ATOM 0 HA ARG A 98 -14.363 -2.728 7.878 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -16.206 -2.966 9.486 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -15.950 -1.278 9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -17.858 -1.329 7.519 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -18.093 -3.037 7.834 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -18.500 -2.475 10.254 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -18.405 -0.777 9.832 1.00 0.00 H new ATOM 0 HE ARG A 98 -20.308 -2.399 8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -19.890 -0.323 11.075 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -21.580 0.190 11.081 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -22.440 -1.725 8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -23.026 -0.605 9.473 1.00 0.00 H new ATOM 1608 N THR A 99 -15.527 -5.049 7.512 1.00 0.00 N ATOM 1609 CA THR A 99 -16.046 -6.305 7.069 1.00 0.00 C ATOM 1610 C THR A 99 -17.372 -6.565 7.795 1.00 0.00 C ATOM 1611 O THR A 99 -17.434 -7.291 8.798 1.00 0.00 O ATOM 1612 CB THR A 99 -15.038 -7.448 7.299 1.00 0.00 C ATOM 1613 OG1 THR A 99 -13.778 -7.063 6.723 1.00 0.00 O ATOM 1614 CG2 THR A 99 -15.510 -8.738 6.628 1.00 0.00 C ATOM 0 H THR A 99 -14.875 -5.106 8.294 1.00 0.00 H new ATOM 0 HA THR A 99 -16.222 -6.268 5.994 1.00 0.00 H new ATOM 0 HB THR A 99 -14.944 -7.627 8.370 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.123 -7.778 6.861 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.781 -9.528 6.806 1.00 0.00 H new ATOM 0 HG22 THR A 99 -16.473 -9.033 7.044 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.613 -8.574 5.555 1.00 0.00 H new ATOM 1622 N SER A 100 -18.382 -5.862 7.333 1.00 0.00 N ATOM 1623 CA SER A 100 -19.718 -5.895 7.848 1.00 0.00 C ATOM 1624 C SER A 100 -20.535 -4.971 6.939 1.00 0.00 C ATOM 1625 O SER A 100 -20.629 -3.745 7.206 1.00 0.00 O ATOM 1626 CB SER A 100 -19.745 -5.406 9.324 1.00 0.00 C ATOM 1627 OG SER A 100 -21.011 -5.613 9.946 1.00 0.00 O ATOM 1628 OXT SER A 100 -20.991 -5.438 5.891 1.00 0.00 O ATOM 0 H SER A 100 -18.280 -5.221 6.546 1.00 0.00 H new ATOM 0 HA SER A 100 -20.128 -6.905 7.852 1.00 0.00 H new ATOM 0 HB2 SER A 100 -18.976 -5.930 9.891 1.00 0.00 H new ATOM 0 HB3 SER A 100 -19.497 -4.345 9.356 1.00 0.00 H new ATOM 0 HG SER A 100 -20.977 -5.292 10.871 1.00 0.00 H new TER 1634 SER A 100