USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 799 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 2 THR OG1 : rot 168:sc= 0.416 USER MOD Set 1.2: A 5 GLN : amide:sc= 0.598 K(o=1,f=0.027) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0.964 (180deg=0.484) USER MOD Single : A 19 ASN : amide:sc= 0.434 X(o=0.43,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0558 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -134:sc= -0.653 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0636 USER MOD Single : A 52 GLN : amide:sc= 0.291 X(o=0.29,f=-0.0015) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= -5.59! (180deg=-5.69!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc=-0.00251 X(o=-0.0025,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.1) USER MOD Single : A 78 HIS : no HD1:sc= -0.247 K(o=-0.25,f=-1.2) USER MOD Single : A 80 TYR OH : rot -177:sc= 0.304 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 89 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00223) USER MOD Single : A 90 TYR OH : rot 31:sc= 0.0188 USER MOD Single : A 92 THR OG1 : rot 74:sc= 0.86 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.148 4.473 -15.589 1.00 0.00 N ATOM 2 CA MET A 1 -12.579 5.207 -14.432 1.00 0.00 C ATOM 3 C MET A 1 -13.683 5.851 -13.614 1.00 0.00 C ATOM 4 O MET A 1 -14.687 6.304 -14.162 1.00 0.00 O ATOM 5 CB MET A 1 -11.616 6.288 -14.919 1.00 0.00 C ATOM 6 CG MET A 1 -10.250 5.757 -15.319 1.00 0.00 C ATOM 7 SD MET A 1 -10.273 4.917 -16.914 1.00 0.00 S ATOM 8 CE MET A 1 -8.540 4.509 -17.100 1.00 0.00 C ATOM 0 H1 MET A 1 -12.434 4.406 -16.343 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.427 3.517 -15.290 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.982 4.981 -15.946 1.00 0.00 H new ATOM 0 HA MET A 1 -12.042 4.494 -13.806 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.061 6.800 -15.772 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.490 7.031 -14.132 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.540 6.583 -15.358 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.894 5.067 -14.554 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.389 3.983 -18.043 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.948 5.424 -17.096 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.226 3.871 -16.274 1.00 0.00 H new ATOM 18 N THR A 2 -13.496 5.889 -12.302 1.00 0.00 N ATOM 19 CA THR A 2 -14.485 6.484 -11.417 1.00 0.00 C ATOM 20 C THR A 2 -13.993 7.815 -10.858 1.00 0.00 C ATOM 21 O THR A 2 -12.818 7.955 -10.513 1.00 0.00 O ATOM 22 CB THR A 2 -14.842 5.544 -10.251 1.00 0.00 C ATOM 23 OG1 THR A 2 -13.650 5.062 -9.622 1.00 0.00 O ATOM 24 CG2 THR A 2 -15.675 4.370 -10.746 1.00 0.00 C ATOM 0 H THR A 2 -12.672 5.517 -11.830 1.00 0.00 H new ATOM 0 HA THR A 2 -15.380 6.655 -12.015 1.00 0.00 H new ATOM 0 HB THR A 2 -15.427 6.107 -9.524 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.880 4.627 -8.774 1.00 0.00 H new ATOM 0 HG21 THR A 2 -15.917 3.717 -9.908 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.596 4.741 -11.195 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.109 3.810 -11.490 1.00 0.00 H new ATOM 32 N PRO A 3 -14.889 8.817 -10.778 1.00 0.00 N ATOM 33 CA PRO A 3 -14.553 10.147 -10.250 1.00 0.00 C ATOM 34 C PRO A 3 -14.105 10.096 -8.791 1.00 0.00 C ATOM 35 O PRO A 3 -13.254 10.873 -8.372 1.00 0.00 O ATOM 36 CB PRO A 3 -15.869 10.934 -10.378 1.00 0.00 C ATOM 37 CG PRO A 3 -16.690 10.172 -11.360 1.00 0.00 C ATOM 38 CD PRO A 3 -16.295 8.735 -11.206 1.00 0.00 C ATOM 0 HA PRO A 3 -13.720 10.597 -10.791 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.377 11.010 -9.416 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -15.687 11.952 -10.724 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -17.754 10.307 -11.166 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -16.505 10.520 -12.376 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -16.912 8.225 -10.466 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -16.400 8.186 -12.142 1.00 0.00 H new ATOM 46 N GLU A 4 -14.673 9.160 -8.031 1.00 0.00 N ATOM 47 CA GLU A 4 -14.344 9.005 -6.616 1.00 0.00 C ATOM 48 C GLU A 4 -12.887 8.587 -6.407 1.00 0.00 C ATOM 49 O GLU A 4 -12.231 9.055 -5.480 1.00 0.00 O ATOM 50 CB GLU A 4 -15.271 7.974 -5.974 1.00 0.00 C ATOM 51 CG GLU A 4 -15.544 8.238 -4.502 1.00 0.00 C ATOM 52 CD GLU A 4 -16.487 7.222 -3.890 1.00 0.00 C ATOM 53 OE1 GLU A 4 -17.715 7.434 -3.960 1.00 0.00 O ATOM 54 OE2 GLU A 4 -15.996 6.215 -3.338 1.00 0.00 O ATOM 0 H GLU A 4 -15.366 8.495 -8.374 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.483 9.976 -6.141 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.217 7.962 -6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.830 6.983 -6.082 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.601 8.228 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.968 9.236 -4.389 1.00 0.00 H new ATOM 61 N GLN A 5 -12.383 7.718 -7.276 1.00 0.00 N ATOM 62 CA GLN A 5 -11.011 7.234 -7.158 1.00 0.00 C ATOM 63 C GLN A 5 -9.998 8.296 -7.580 1.00 0.00 C ATOM 64 O GLN A 5 -8.961 8.453 -6.945 1.00 0.00 O ATOM 65 CB GLN A 5 -10.815 5.969 -7.996 1.00 0.00 C ATOM 66 CG GLN A 5 -11.348 4.709 -7.332 1.00 0.00 C ATOM 67 CD GLN A 5 -10.883 3.442 -8.024 1.00 0.00 C ATOM 68 OE1 GLN A 5 -9.858 2.865 -7.663 1.00 0.00 O ATOM 69 NE2 GLN A 5 -11.636 3.005 -9.027 1.00 0.00 N ATOM 0 H GLN A 5 -12.901 7.335 -8.067 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.839 7.001 -6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.311 6.100 -8.958 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.752 5.840 -8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.027 4.688 -6.291 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -12.438 4.738 -7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -12.478 3.515 -9.292 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.372 2.159 -9.532 1.00 0.00 H new ATOM 78 N ARG A 6 -10.311 9.023 -8.649 1.00 0.00 N ATOM 79 CA ARG A 6 -9.417 10.056 -9.172 1.00 0.00 C ATOM 80 C ARG A 6 -9.419 11.329 -8.320 1.00 0.00 C ATOM 81 O ARG A 6 -8.535 12.176 -8.465 1.00 0.00 O ATOM 82 CB ARG A 6 -9.801 10.396 -10.611 1.00 0.00 C ATOM 83 CG ARG A 6 -9.274 9.399 -11.630 1.00 0.00 C ATOM 84 CD ARG A 6 -9.558 9.853 -13.050 1.00 0.00 C ATOM 85 NE ARG A 6 -8.911 9.000 -14.043 1.00 0.00 N ATOM 86 CZ ARG A 6 -8.868 9.284 -15.343 1.00 0.00 C ATOM 87 NH1 ARG A 6 -9.431 10.394 -15.801 1.00 0.00 N ATOM 88 NH2 ARG A 6 -8.266 8.457 -16.185 1.00 0.00 N ATOM 0 H ARG A 6 -11.180 8.916 -9.173 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.406 9.649 -9.139 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -10.887 10.442 -10.688 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.422 11.388 -10.855 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.200 9.273 -11.495 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -9.733 8.425 -11.459 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.635 9.854 -13.221 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.214 10.880 -13.177 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.468 8.139 -13.723 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.898 11.032 -15.157 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -9.397 10.610 -16.797 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.834 7.601 -15.838 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.234 8.677 -17.181 1.00 0.00 H new ATOM 102 N GLU A 7 -10.409 11.474 -7.448 1.00 0.00 N ATOM 103 CA GLU A 7 -10.503 12.661 -6.601 1.00 0.00 C ATOM 104 C GLU A 7 -9.887 12.443 -5.214 1.00 0.00 C ATOM 105 O GLU A 7 -9.677 13.406 -4.476 1.00 0.00 O ATOM 106 CB GLU A 7 -11.965 13.096 -6.459 1.00 0.00 C ATOM 107 CG GLU A 7 -12.467 13.942 -7.622 1.00 0.00 C ATOM 108 CD GLU A 7 -13.909 14.379 -7.452 1.00 0.00 C ATOM 109 OE1 GLU A 7 -14.138 15.452 -6.856 1.00 0.00 O ATOM 110 OE2 GLU A 7 -14.810 13.650 -7.918 1.00 0.00 O ATOM 0 H GLU A 7 -11.154 10.791 -7.308 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.930 13.448 -7.091 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.592 12.209 -6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.079 13.661 -5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.835 14.824 -7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.371 13.373 -8.547 1.00 0.00 H new ATOM 117 N PHE A 8 -9.595 11.193 -4.851 1.00 0.00 N ATOM 118 CA PHE A 8 -9.039 10.912 -3.522 1.00 0.00 C ATOM 119 C PHE A 8 -7.683 10.192 -3.554 1.00 0.00 C ATOM 120 O PHE A 8 -6.796 10.506 -2.758 1.00 0.00 O ATOM 121 CB PHE A 8 -10.042 10.090 -2.706 1.00 0.00 C ATOM 122 CG PHE A 8 -11.256 10.873 -2.293 1.00 0.00 C ATOM 123 CD1 PHE A 8 -11.228 11.675 -1.164 1.00 0.00 C ATOM 124 CD2 PHE A 8 -12.421 10.814 -3.038 1.00 0.00 C ATOM 125 CE1 PHE A 8 -12.340 12.402 -0.786 1.00 0.00 C ATOM 126 CE2 PHE A 8 -13.536 11.538 -2.668 1.00 0.00 C ATOM 127 CZ PHE A 8 -13.496 12.334 -1.540 1.00 0.00 C ATOM 0 H PHE A 8 -9.730 10.373 -5.443 1.00 0.00 H new ATOM 0 HA PHE A 8 -8.860 11.880 -3.054 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.357 9.227 -3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.546 9.705 -1.815 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -10.326 11.733 -0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -12.458 10.193 -3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.306 13.022 0.097 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -14.438 11.482 -3.259 1.00 0.00 H new ATOM 0 HZ PHE A 8 -14.367 12.902 -1.248 1.00 0.00 H new ATOM 137 N LEU A 9 -7.521 9.235 -4.465 1.00 0.00 N ATOM 138 CA LEU A 9 -6.281 8.451 -4.552 1.00 0.00 C ATOM 139 C LEU A 9 -5.059 9.247 -5.058 1.00 0.00 C ATOM 140 O LEU A 9 -3.990 9.161 -4.454 1.00 0.00 O ATOM 141 CB LEU A 9 -6.494 7.204 -5.417 1.00 0.00 C ATOM 142 CG LEU A 9 -6.822 5.921 -4.642 1.00 0.00 C ATOM 143 CD1 LEU A 9 -8.313 5.834 -4.346 1.00 0.00 C ATOM 144 CD2 LEU A 9 -6.368 4.694 -5.417 1.00 0.00 C ATOM 0 H LEU A 9 -8.229 8.981 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.046 8.162 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.304 7.402 -6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.594 7.033 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.283 5.953 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.522 4.916 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.616 6.693 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.870 5.830 -5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.610 3.795 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.877 4.663 -6.380 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.291 4.743 -5.577 1.00 0.00 H new ATOM 156 N PRO A 10 -5.166 10.016 -6.169 1.00 0.00 N ATOM 157 CA PRO A 10 -4.027 10.789 -6.704 1.00 0.00 C ATOM 158 C PRO A 10 -3.581 11.939 -5.794 1.00 0.00 C ATOM 159 O PRO A 10 -2.532 12.543 -6.022 1.00 0.00 O ATOM 160 CB PRO A 10 -4.553 11.343 -8.038 1.00 0.00 C ATOM 161 CG PRO A 10 -5.773 10.547 -8.340 1.00 0.00 C ATOM 162 CD PRO A 10 -6.359 10.184 -7.010 1.00 0.00 C ATOM 0 HA PRO A 10 -3.143 10.158 -6.799 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.786 12.405 -7.958 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.809 11.238 -8.828 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.480 11.125 -8.935 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.526 9.655 -8.916 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.016 10.966 -6.630 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.949 9.269 -7.063 1.00 0.00 H new ATOM 170 N GLU A 11 -4.371 12.238 -4.765 1.00 0.00 N ATOM 171 CA GLU A 11 -4.046 13.321 -3.838 1.00 0.00 C ATOM 172 C GLU A 11 -3.237 12.817 -2.636 1.00 0.00 C ATOM 173 O GLU A 11 -2.337 13.504 -2.156 1.00 0.00 O ATOM 174 CB GLU A 11 -5.331 14.004 -3.366 1.00 0.00 C ATOM 175 CG GLU A 11 -5.900 14.995 -4.373 1.00 0.00 C ATOM 176 CD GLU A 11 -6.834 16.003 -3.733 1.00 0.00 C ATOM 177 OE1 GLU A 11 -6.333 16.980 -3.135 1.00 0.00 O ATOM 178 OE2 GLU A 11 -8.063 15.817 -3.826 1.00 0.00 O ATOM 0 H GLU A 11 -5.239 11.747 -4.552 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.426 14.043 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.081 13.242 -3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.133 14.524 -2.429 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.081 15.523 -4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.436 14.450 -5.150 1.00 0.00 H new ATOM 185 N ILE A 12 -3.557 11.613 -2.167 1.00 0.00 N ATOM 186 CA ILE A 12 -2.861 11.020 -1.024 1.00 0.00 C ATOM 187 C ILE A 12 -1.483 10.488 -1.420 1.00 0.00 C ATOM 188 O ILE A 12 -0.572 10.435 -0.593 1.00 0.00 O ATOM 189 CB ILE A 12 -3.681 9.879 -0.374 1.00 0.00 C ATOM 190 CG1 ILE A 12 -4.258 8.950 -1.440 1.00 0.00 C ATOM 191 CG2 ILE A 12 -4.797 10.454 0.487 1.00 0.00 C ATOM 192 CD1 ILE A 12 -4.228 7.488 -1.056 1.00 0.00 C ATOM 0 H ILE A 12 -4.294 11.028 -2.560 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.738 11.820 -0.294 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.013 9.297 0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.288 9.242 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.700 9.084 -2.366 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.365 9.640 0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.367 11.075 1.273 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.459 11.059 -0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.654 6.891 -1.862 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.198 7.179 -0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -4.811 7.339 -0.147 1.00 0.00 H new ATOM 204 N LEU A 13 -1.361 10.071 -2.684 1.00 0.00 N ATOM 205 CA LEU A 13 -0.115 9.523 -3.233 1.00 0.00 C ATOM 206 C LEU A 13 1.104 10.406 -2.933 1.00 0.00 C ATOM 207 O LEU A 13 2.178 9.897 -2.628 1.00 0.00 O ATOM 208 CB LEU A 13 -0.255 9.336 -4.747 1.00 0.00 C ATOM 209 CG LEU A 13 -0.449 7.890 -5.210 1.00 0.00 C ATOM 210 CD1 LEU A 13 -1.274 7.839 -6.486 1.00 0.00 C ATOM 211 CD2 LEU A 13 0.894 7.207 -5.421 1.00 0.00 C ATOM 0 H LEU A 13 -2.126 10.104 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 13 0.055 8.563 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.102 9.928 -5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.635 9.739 -5.231 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.989 7.355 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.399 6.802 -6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.252 8.284 -6.305 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.763 8.394 -7.272 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.732 6.180 -5.750 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.461 7.746 -6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.452 7.204 -4.485 1.00 0.00 H new ATOM 223 N ALA A 14 0.930 11.723 -3.017 1.00 0.00 N ATOM 224 CA ALA A 14 2.022 12.665 -2.764 1.00 0.00 C ATOM 225 C ALA A 14 2.508 12.602 -1.315 1.00 0.00 C ATOM 226 O ALA A 14 3.712 12.608 -1.054 1.00 0.00 O ATOM 227 CB ALA A 14 1.575 14.079 -3.108 1.00 0.00 C ATOM 0 H ALA A 14 0.043 12.164 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 14 2.860 12.381 -3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.392 14.775 -2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.296 14.126 -4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.717 14.349 -2.492 1.00 0.00 H new ATOM 233 N GLU A 15 1.563 12.539 -0.378 1.00 0.00 N ATOM 234 CA GLU A 15 1.884 12.489 1.050 1.00 0.00 C ATOM 235 C GLU A 15 2.411 11.121 1.503 1.00 0.00 C ATOM 236 O GLU A 15 2.932 10.998 2.611 1.00 0.00 O ATOM 237 CB GLU A 15 0.650 12.847 1.879 1.00 0.00 C ATOM 238 CG GLU A 15 0.286 14.322 1.848 1.00 0.00 C ATOM 239 CD GLU A 15 -0.960 14.623 2.659 1.00 0.00 C ATOM 240 OE1 GLU A 15 -0.829 14.899 3.871 1.00 0.00 O ATOM 241 OE2 GLU A 15 -2.068 14.573 2.086 1.00 0.00 O ATOM 0 H GLU A 15 0.564 12.521 -0.582 1.00 0.00 H new ATOM 0 HA GLU A 15 2.680 13.216 1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.199 12.267 1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.821 12.548 2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.119 14.908 2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.129 14.634 0.815 1.00 0.00 H new ATOM 248 N ILE A 16 2.285 10.093 0.663 1.00 0.00 N ATOM 249 CA ILE A 16 2.745 8.756 1.047 1.00 0.00 C ATOM 250 C ILE A 16 4.168 8.461 0.564 1.00 0.00 C ATOM 251 O ILE A 16 4.886 7.704 1.206 1.00 0.00 O ATOM 252 CB ILE A 16 1.782 7.639 0.560 1.00 0.00 C ATOM 253 CG1 ILE A 16 2.045 6.340 1.326 1.00 0.00 C ATOM 254 CG2 ILE A 16 1.918 7.401 -0.936 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.789 5.604 1.730 1.00 0.00 C ATOM 0 H ILE A 16 1.877 10.156 -0.270 1.00 0.00 H new ATOM 0 HA ILE A 16 2.751 8.755 2.137 1.00 0.00 H new ATOM 0 HB ILE A 16 0.762 7.970 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.657 5.683 0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.625 6.568 2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.230 6.613 -1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.681 8.319 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.940 7.100 -1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.057 4.695 2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.185 6.242 2.375 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.218 5.343 0.839 1.00 0.00 H new ATOM 267 N ILE A 17 4.586 9.061 -0.549 1.00 0.00 N ATOM 268 CA ILE A 17 5.934 8.816 -1.070 1.00 0.00 C ATOM 269 C ILE A 17 7.007 9.367 -0.127 1.00 0.00 C ATOM 270 O ILE A 17 8.089 8.793 -0.001 1.00 0.00 O ATOM 271 CB ILE A 17 6.132 9.425 -2.478 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.031 8.950 -3.427 1.00 0.00 C ATOM 273 CG2 ILE A 17 7.498 9.047 -3.036 1.00 0.00 C ATOM 274 CD1 ILE A 17 4.780 9.886 -4.592 1.00 0.00 C ATOM 0 H ILE A 17 4.024 9.709 -1.101 1.00 0.00 H new ATOM 0 HA ILE A 17 6.041 7.734 -1.142 1.00 0.00 H new ATOM 0 HB ILE A 17 6.076 10.510 -2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.298 7.967 -3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.106 8.830 -2.864 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.620 9.484 -4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.278 9.424 -2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.575 7.962 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.986 9.481 -5.220 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.481 10.864 -4.215 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.692 9.987 -5.181 1.00 0.00 H new ATOM 286 N ALA A 18 6.689 10.462 0.558 1.00 0.00 N ATOM 287 CA ALA A 18 7.632 11.096 1.474 1.00 0.00 C ATOM 288 C ALA A 18 7.541 10.532 2.895 1.00 0.00 C ATOM 289 O ALA A 18 8.407 10.805 3.725 1.00 0.00 O ATOM 290 CB ALA A 18 7.395 12.598 1.494 1.00 0.00 C ATOM 0 H ALA A 18 5.784 10.929 0.496 1.00 0.00 H new ATOM 0 HA ALA A 18 8.636 10.880 1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.101 13.069 2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.537 13.002 0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.377 12.801 1.826 1.00 0.00 H new ATOM 296 N ASN A 19 6.498 9.752 3.179 1.00 0.00 N ATOM 297 CA ASN A 19 6.319 9.184 4.517 1.00 0.00 C ATOM 298 C ASN A 19 6.300 7.656 4.498 1.00 0.00 C ATOM 299 O ASN A 19 5.754 7.024 5.405 1.00 0.00 O ATOM 300 CB ASN A 19 5.026 9.712 5.141 1.00 0.00 C ATOM 301 CG ASN A 19 5.143 11.161 5.573 1.00 0.00 C ATOM 302 OD1 ASN A 19 5.575 11.456 6.687 1.00 0.00 O ATOM 303 ND2 ASN A 19 4.760 12.076 4.690 1.00 0.00 N ATOM 0 H ASN A 19 5.771 9.500 2.509 1.00 0.00 H new ATOM 0 HA ASN A 19 7.173 9.494 5.119 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.212 9.614 4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.765 9.098 6.003 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.818 13.067 4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.408 11.788 3.777 1.00 0.00 H new ATOM 310 N LEU A 20 6.892 7.063 3.469 1.00 0.00 N ATOM 311 CA LEU A 20 6.927 5.607 3.355 1.00 0.00 C ATOM 312 C LEU A 20 8.351 5.067 3.288 1.00 0.00 C ATOM 313 O LEU A 20 9.259 5.724 2.777 1.00 0.00 O ATOM 314 CB LEU A 20 6.165 5.147 2.113 1.00 0.00 C ATOM 315 CG LEU A 20 5.755 3.676 2.114 1.00 0.00 C ATOM 316 CD1 LEU A 20 4.321 3.527 2.589 1.00 0.00 C ATOM 317 CD2 LEU A 20 5.928 3.076 0.726 1.00 0.00 C ATOM 0 H LEU A 20 7.351 7.561 2.706 1.00 0.00 H new ATOM 0 HA LEU A 20 6.452 5.213 4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.269 5.758 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.783 5.335 1.235 1.00 0.00 H new ATOM 0 HG LEU A 20 6.402 3.134 2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.044 2.473 2.584 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.230 3.921 3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.658 4.080 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.632 2.027 0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.304 3.618 0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.973 3.153 0.424 1.00 0.00 H new ATOM 329 N ASP A 21 8.527 3.855 3.807 1.00 0.00 N ATOM 330 CA ASP A 21 9.822 3.182 3.800 1.00 0.00 C ATOM 331 C ASP A 21 9.660 1.767 3.246 1.00 0.00 C ATOM 332 O ASP A 21 9.325 0.843 3.986 1.00 0.00 O ATOM 333 CB ASP A 21 10.414 3.131 5.211 1.00 0.00 C ATOM 334 CG ASP A 21 10.937 4.478 5.671 1.00 0.00 C ATOM 335 OD1 ASP A 21 10.146 5.261 6.240 1.00 0.00 O ATOM 336 OD2 ASP A 21 12.138 4.749 5.461 1.00 0.00 O ATOM 0 H ASP A 21 7.780 3.314 4.242 1.00 0.00 H new ATOM 0 HA ASP A 21 10.506 3.744 3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.652 2.783 5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.225 2.403 5.235 1.00 0.00 H new ATOM 341 N PRO A 22 9.902 1.588 1.931 1.00 0.00 N ATOM 342 CA PRO A 22 9.764 0.286 1.245 1.00 0.00 C ATOM 343 C PRO A 22 10.661 -0.818 1.810 1.00 0.00 C ATOM 344 O PRO A 22 10.375 -1.999 1.635 1.00 0.00 O ATOM 345 CB PRO A 22 10.179 0.596 -0.199 1.00 0.00 C ATOM 346 CG PRO A 22 10.025 2.068 -0.345 1.00 0.00 C ATOM 347 CD PRO A 22 10.328 2.649 1.003 1.00 0.00 C ATOM 0 HA PRO A 22 8.751 -0.100 1.360 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.207 0.288 -0.387 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.551 0.062 -0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.706 2.459 -1.101 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.015 2.325 -0.663 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.388 2.879 1.113 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.781 3.576 1.174 1.00 0.00 H new ATOM 355 N THR A 23 11.738 -0.431 2.478 1.00 0.00 N ATOM 356 CA THR A 23 12.680 -1.388 3.049 1.00 0.00 C ATOM 357 C THR A 23 12.148 -2.042 4.324 1.00 0.00 C ATOM 358 O THR A 23 12.223 -3.262 4.486 1.00 0.00 O ATOM 359 CB THR A 23 14.017 -0.698 3.377 1.00 0.00 C ATOM 360 OG1 THR A 23 13.769 0.622 3.884 1.00 0.00 O ATOM 361 CG2 THR A 23 14.901 -0.611 2.141 1.00 0.00 C ATOM 0 H THR A 23 11.984 0.546 2.640 1.00 0.00 H new ATOM 0 HA THR A 23 12.824 -2.164 2.297 1.00 0.00 H new ATOM 0 HB THR A 23 14.534 -1.291 4.131 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.622 1.058 4.093 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.839 -0.120 2.399 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.107 -1.615 1.770 1.00 0.00 H new ATOM 0 HG23 THR A 23 14.391 -0.036 1.368 1.00 0.00 H new ATOM 369 N LYS A 24 11.600 -1.224 5.218 1.00 0.00 N ATOM 370 CA LYS A 24 11.089 -1.704 6.500 1.00 0.00 C ATOM 371 C LYS A 24 9.798 -2.514 6.371 1.00 0.00 C ATOM 372 O LYS A 24 9.551 -3.417 7.172 1.00 0.00 O ATOM 373 CB LYS A 24 10.862 -0.524 7.448 1.00 0.00 C ATOM 374 CG LYS A 24 11.130 -0.861 8.905 1.00 0.00 C ATOM 375 CD LYS A 24 10.938 0.346 9.809 1.00 0.00 C ATOM 376 CE LYS A 24 11.128 -0.027 11.269 1.00 0.00 C ATOM 377 NZ LYS A 24 12.566 -0.207 11.607 1.00 0.00 N ATOM 0 H LYS A 24 11.498 -0.219 5.077 1.00 0.00 H new ATOM 0 HA LYS A 24 11.847 -2.376 6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.507 0.302 7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.833 -0.178 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.462 -1.662 9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.148 -1.235 9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.648 1.126 9.535 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.940 0.758 9.663 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.700 0.750 11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.585 -0.948 11.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.657 -0.461 12.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.968 -0.966 11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.079 0.680 11.426 1.00 0.00 H new ATOM 391 N ILE A 25 8.978 -2.209 5.372 1.00 0.00 N ATOM 392 CA ILE A 25 7.710 -2.918 5.202 1.00 0.00 C ATOM 393 C ILE A 25 7.849 -4.190 4.363 1.00 0.00 C ATOM 394 O ILE A 25 7.138 -5.166 4.599 1.00 0.00 O ATOM 395 CB ILE A 25 6.624 -2.017 4.576 1.00 0.00 C ATOM 396 CG1 ILE A 25 7.142 -1.344 3.307 1.00 0.00 C ATOM 397 CG2 ILE A 25 6.156 -0.972 5.579 1.00 0.00 C ATOM 398 CD1 ILE A 25 6.085 -1.186 2.239 1.00 0.00 C ATOM 0 H ILE A 25 9.162 -1.487 4.675 1.00 0.00 H new ATOM 0 HA ILE A 25 7.404 -3.203 6.209 1.00 0.00 H new ATOM 0 HB ILE A 25 5.775 -2.645 4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.540 -0.362 3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.969 -1.929 2.906 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.391 -0.345 5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.741 -1.469 6.456 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.001 -0.352 5.879 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.520 -0.701 1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.703 -2.167 1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.268 -0.576 2.623 1.00 0.00 H new ATOM 410 N LEU A 26 8.764 -4.185 3.395 1.00 0.00 N ATOM 411 CA LEU A 26 8.958 -5.345 2.522 1.00 0.00 C ATOM 412 C LEU A 26 9.453 -6.565 3.293 1.00 0.00 C ATOM 413 O LEU A 26 9.092 -7.697 2.972 1.00 0.00 O ATOM 414 CB LEU A 26 9.947 -5.015 1.403 1.00 0.00 C ATOM 415 CG LEU A 26 9.787 -5.856 0.135 1.00 0.00 C ATOM 416 CD1 LEU A 26 8.708 -5.266 -0.755 1.00 0.00 C ATOM 417 CD2 LEU A 26 11.108 -5.949 -0.613 1.00 0.00 C ATOM 0 H LEU A 26 9.380 -3.397 3.195 1.00 0.00 H new ATOM 0 HA LEU A 26 7.985 -5.586 2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.838 -3.963 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.960 -5.146 1.783 1.00 0.00 H new ATOM 0 HG LEU A 26 9.486 -6.864 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.605 -5.874 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.760 -5.250 -0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.983 -4.249 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.975 -6.551 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.440 -4.949 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.857 -6.414 0.028 1.00 0.00 H new ATOM 429 N GLU A 27 10.266 -6.324 4.317 1.00 0.00 N ATOM 430 CA GLU A 27 10.831 -7.397 5.128 1.00 0.00 C ATOM 431 C GLU A 27 9.768 -8.136 5.944 1.00 0.00 C ATOM 432 O GLU A 27 9.829 -9.357 6.086 1.00 0.00 O ATOM 433 CB GLU A 27 11.894 -6.830 6.067 1.00 0.00 C ATOM 434 CG GLU A 27 13.196 -6.469 5.371 1.00 0.00 C ATOM 435 CD GLU A 27 14.238 -5.946 6.337 1.00 0.00 C ATOM 436 OE1 GLU A 27 14.264 -4.720 6.574 1.00 0.00 O ATOM 437 OE2 GLU A 27 15.024 -6.762 6.863 1.00 0.00 O ATOM 0 H GLU A 27 10.550 -5.388 4.606 1.00 0.00 H new ATOM 0 HA GLU A 27 11.277 -8.118 4.443 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.496 -5.941 6.557 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.101 -7.560 6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.587 -7.348 4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.001 -5.716 4.608 1.00 0.00 H new ATOM 444 N GLU A 28 8.795 -7.394 6.467 1.00 0.00 N ATOM 445 CA GLU A 28 7.734 -7.979 7.288 1.00 0.00 C ATOM 446 C GLU A 28 6.725 -8.766 6.453 1.00 0.00 C ATOM 447 O GLU A 28 6.114 -9.715 6.944 1.00 0.00 O ATOM 448 CB GLU A 28 7.010 -6.883 8.074 1.00 0.00 C ATOM 449 CG GLU A 28 7.805 -6.357 9.259 1.00 0.00 C ATOM 450 CD GLU A 28 7.814 -7.317 10.434 1.00 0.00 C ATOM 451 OE1 GLU A 28 6.842 -7.303 11.219 1.00 0.00 O ATOM 452 OE2 GLU A 28 8.794 -8.078 10.572 1.00 0.00 O ATOM 0 H GLU A 28 8.718 -6.385 6.338 1.00 0.00 H new ATOM 0 HA GLU A 28 8.208 -8.677 7.978 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.784 -6.055 7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.057 -7.273 8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.831 -6.164 8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.385 -5.403 9.578 1.00 0.00 H new ATOM 459 N LEU A 29 6.559 -8.377 5.194 1.00 0.00 N ATOM 460 CA LEU A 29 5.608 -9.040 4.306 1.00 0.00 C ATOM 461 C LEU A 29 6.154 -10.364 3.778 1.00 0.00 C ATOM 462 O LEU A 29 5.407 -11.331 3.616 1.00 0.00 O ATOM 463 CB LEU A 29 5.257 -8.118 3.139 1.00 0.00 C ATOM 464 CG LEU A 29 3.940 -7.355 3.290 1.00 0.00 C ATOM 465 CD1 LEU A 29 4.129 -6.124 4.162 1.00 0.00 C ATOM 466 CD2 LEU A 29 3.399 -6.963 1.927 1.00 0.00 C ATOM 0 H LEU A 29 7.070 -7.606 4.764 1.00 0.00 H new ATOM 0 HA LEU A 29 4.710 -9.259 4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.064 -7.397 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.212 -8.713 2.227 1.00 0.00 H new ATOM 0 HG LEU A 29 3.217 -8.009 3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.180 -5.596 4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.475 -6.428 5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.867 -5.465 3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.461 -6.421 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.122 -6.326 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.224 -7.860 1.333 1.00 0.00 H new ATOM 478 N LEU A 30 7.456 -10.400 3.511 1.00 0.00 N ATOM 479 CA LEU A 30 8.103 -11.600 2.993 1.00 0.00 C ATOM 480 C LEU A 30 8.258 -12.668 4.072 1.00 0.00 C ATOM 481 O LEU A 30 8.233 -13.865 3.781 1.00 0.00 O ATOM 482 CB LEU A 30 9.469 -11.254 2.406 1.00 0.00 C ATOM 483 CG LEU A 30 9.433 -10.540 1.057 1.00 0.00 C ATOM 484 CD1 LEU A 30 10.689 -9.706 0.858 1.00 0.00 C ATOM 485 CD2 LEU A 30 9.277 -11.552 -0.065 1.00 0.00 C ATOM 0 H LEU A 30 8.085 -9.609 3.646 1.00 0.00 H new ATOM 0 HA LEU A 30 7.463 -12.005 2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.004 -10.626 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.044 -12.174 2.297 1.00 0.00 H new ATOM 0 HG LEU A 30 8.575 -9.868 1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.644 -9.205 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.760 -8.960 1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.565 -10.354 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.252 -11.032 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.118 -12.245 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.348 -12.106 0.071 1.00 0.00 H new ATOM 497 N ARG A 31 8.420 -12.229 5.319 1.00 0.00 N ATOM 498 CA ARG A 31 8.595 -13.147 6.443 1.00 0.00 C ATOM 499 C ARG A 31 7.274 -13.788 6.861 1.00 0.00 C ATOM 500 O ARG A 31 7.261 -14.783 7.586 1.00 0.00 O ATOM 501 CB ARG A 31 9.217 -12.414 7.630 1.00 0.00 C ATOM 502 CG ARG A 31 10.706 -12.165 7.467 1.00 0.00 C ATOM 503 CD ARG A 31 11.282 -11.428 8.661 1.00 0.00 C ATOM 504 NE ARG A 31 12.699 -11.126 8.486 1.00 0.00 N ATOM 505 CZ ARG A 31 13.444 -10.529 9.412 1.00 0.00 C ATOM 506 NH1 ARG A 31 12.909 -10.172 10.571 1.00 0.00 N ATOM 507 NH2 ARG A 31 14.726 -10.287 9.177 1.00 0.00 N ATOM 0 H ARG A 31 8.434 -11.242 5.577 1.00 0.00 H new ATOM 0 HA ARG A 31 9.264 -13.943 6.117 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.709 -11.460 7.766 1.00 0.00 H new ATOM 0 HB3 ARG A 31 9.050 -12.996 8.536 1.00 0.00 H new ATOM 0 HG2 ARG A 31 11.223 -13.116 7.342 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.882 -11.585 6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.730 -10.501 8.815 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.148 -12.032 9.559 1.00 0.00 H new ATOM 0 HE ARG A 31 13.142 -11.387 7.605 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.923 -10.355 10.755 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.484 -9.714 11.279 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.141 -10.559 8.286 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.297 -9.829 9.887 1.00 0.00 H new ATOM 521 N ARG A 32 6.164 -13.215 6.405 1.00 0.00 N ATOM 522 CA ARG A 32 4.844 -13.742 6.732 1.00 0.00 C ATOM 523 C ARG A 32 4.309 -14.605 5.594 1.00 0.00 C ATOM 524 O ARG A 32 3.324 -15.327 5.759 1.00 0.00 O ATOM 525 CB ARG A 32 3.871 -12.598 7.036 1.00 0.00 C ATOM 526 CG ARG A 32 4.207 -11.841 8.314 1.00 0.00 C ATOM 527 CD ARG A 32 3.515 -12.445 9.522 1.00 0.00 C ATOM 528 NE ARG A 32 3.792 -11.696 10.749 1.00 0.00 N ATOM 529 CZ ARG A 32 3.216 -11.964 11.918 1.00 0.00 C ATOM 530 NH1 ARG A 32 2.338 -12.954 12.012 1.00 0.00 N ATOM 531 NH2 ARG A 32 3.516 -11.245 12.993 1.00 0.00 N ATOM 0 H ARG A 32 6.153 -12.387 5.809 1.00 0.00 H new ATOM 0 HA ARG A 32 4.937 -14.366 7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.870 -11.900 6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.862 -13.001 7.116 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.286 -11.851 8.470 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.910 -10.798 8.208 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.439 -12.469 9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.841 -13.478 9.647 1.00 0.00 H new ATOM 0 HE ARG A 32 4.462 -10.928 10.705 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.105 -13.509 11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.896 -13.160 12.908 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.191 -10.483 12.925 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.072 -11.454 13.887 1.00 0.00 H new ATOM 545 N GLY A 33 4.972 -14.531 4.440 1.00 0.00 N ATOM 546 CA GLY A 33 4.562 -15.312 3.286 1.00 0.00 C ATOM 547 C GLY A 33 3.360 -14.719 2.574 1.00 0.00 C ATOM 548 O GLY A 33 2.550 -15.449 2.004 1.00 0.00 O ATOM 0 H GLY A 33 5.789 -13.941 4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.395 -15.383 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.326 -16.327 3.605 1.00 0.00 H new ATOM 552 N LEU A 34 3.245 -13.395 2.610 1.00 0.00 N ATOM 553 CA LEU A 34 2.130 -12.704 1.967 1.00 0.00 C ATOM 554 C LEU A 34 2.551 -12.051 0.651 1.00 0.00 C ATOM 555 O LEU A 34 1.712 -11.547 -0.094 1.00 0.00 O ATOM 556 CB LEU A 34 1.563 -11.640 2.912 1.00 0.00 C ATOM 557 CG LEU A 34 0.105 -11.251 2.660 1.00 0.00 C ATOM 558 CD1 LEU A 34 -0.617 -10.997 3.973 1.00 0.00 C ATOM 559 CD2 LEU A 34 0.036 -10.022 1.769 1.00 0.00 C ATOM 0 H LEU A 34 3.910 -12.778 3.077 1.00 0.00 H new ATOM 0 HA LEU A 34 1.365 -13.447 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.653 -12.002 3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.179 -10.744 2.835 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.391 -12.079 2.153 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.652 -10.722 3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.594 -11.901 4.582 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.124 -10.186 4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.007 -9.755 1.597 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.548 -9.191 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.518 -10.237 0.815 1.00 0.00 H new ATOM 571 N LEU A 35 3.834 -12.094 0.331 1.00 0.00 N ATOM 572 CA LEU A 35 4.306 -11.461 -0.889 1.00 0.00 C ATOM 573 C LEU A 35 4.735 -12.503 -1.920 1.00 0.00 C ATOM 574 O LEU A 35 5.432 -13.462 -1.591 1.00 0.00 O ATOM 575 CB LEU A 35 5.473 -10.522 -0.574 1.00 0.00 C ATOM 576 CG LEU A 35 5.396 -9.146 -1.246 1.00 0.00 C ATOM 577 CD1 LEU A 35 6.355 -8.169 -0.588 1.00 0.00 C ATOM 578 CD2 LEU A 35 5.690 -9.256 -2.735 1.00 0.00 C ATOM 0 H LEU A 35 4.556 -12.552 0.888 1.00 0.00 H new ATOM 0 HA LEU A 35 3.484 -10.884 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.525 -10.380 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.401 -11.006 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 35 4.381 -8.767 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.283 -7.200 -1.082 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.097 -8.060 0.465 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.374 -8.545 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.630 -8.268 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.691 -9.662 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.960 -9.917 -3.202 1.00 0.00 H new ATOM 590 N THR A 36 4.307 -12.310 -3.171 1.00 0.00 N ATOM 591 CA THR A 36 4.657 -13.232 -4.247 1.00 0.00 C ATOM 592 C THR A 36 5.860 -12.719 -5.032 1.00 0.00 C ATOM 593 O THR A 36 6.046 -11.513 -5.178 1.00 0.00 O ATOM 594 CB THR A 36 3.476 -13.450 -5.218 1.00 0.00 C ATOM 595 OG1 THR A 36 2.928 -12.190 -5.617 1.00 0.00 O ATOM 596 CG2 THR A 36 2.390 -14.291 -4.568 1.00 0.00 C ATOM 0 H THR A 36 3.721 -11.527 -3.459 1.00 0.00 H new ATOM 0 HA THR A 36 4.906 -14.185 -3.779 1.00 0.00 H new ATOM 0 HB THR A 36 3.851 -13.978 -6.095 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.951 -12.224 -5.555 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.569 -14.431 -5.271 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.799 -15.262 -4.290 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.022 -13.784 -3.676 1.00 0.00 H new ATOM 604 N PRO A 37 6.698 -13.636 -5.542 1.00 0.00 N ATOM 605 CA PRO A 37 7.897 -13.277 -6.314 1.00 0.00 C ATOM 606 C PRO A 37 7.572 -12.607 -7.651 1.00 0.00 C ATOM 607 O PRO A 37 8.342 -11.782 -8.134 1.00 0.00 O ATOM 608 CB PRO A 37 8.596 -14.624 -6.537 1.00 0.00 C ATOM 609 CG PRO A 37 7.523 -15.647 -6.393 1.00 0.00 C ATOM 610 CD PRO A 37 6.549 -15.094 -5.394 1.00 0.00 C ATOM 0 HA PRO A 37 8.508 -12.545 -5.786 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.055 -14.671 -7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.391 -14.781 -5.808 1.00 0.00 H new ATOM 0 HG2 PRO A 37 7.035 -15.836 -7.349 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.934 -16.597 -6.051 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.530 -15.417 -5.605 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.783 -15.421 -4.381 1.00 0.00 H new ATOM 618 N ALA A 38 6.427 -12.962 -8.235 1.00 0.00 N ATOM 619 CA ALA A 38 5.999 -12.395 -9.512 1.00 0.00 C ATOM 620 C ALA A 38 5.594 -10.931 -9.360 1.00 0.00 C ATOM 621 O ALA A 38 5.937 -10.090 -10.191 1.00 0.00 O ATOM 622 CB ALA A 38 4.844 -13.205 -10.080 1.00 0.00 C ATOM 0 H ALA A 38 5.778 -13.643 -7.841 1.00 0.00 H new ATOM 0 HA ALA A 38 6.841 -12.439 -10.202 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.532 -12.775 -11.032 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.164 -14.236 -10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.008 -13.186 -9.381 1.00 0.00 H new ATOM 628 N GLU A 39 4.868 -10.637 -8.282 1.00 0.00 N ATOM 629 CA GLU A 39 4.413 -9.278 -8.001 1.00 0.00 C ATOM 630 C GLU A 39 5.574 -8.420 -7.495 1.00 0.00 C ATOM 631 O GLU A 39 5.647 -7.215 -7.769 1.00 0.00 O ATOM 632 CB GLU A 39 3.285 -9.319 -6.966 1.00 0.00 C ATOM 633 CG GLU A 39 1.922 -9.635 -7.564 1.00 0.00 C ATOM 634 CD GLU A 39 0.809 -9.590 -6.535 1.00 0.00 C ATOM 635 OE1 GLU A 39 0.349 -8.477 -6.204 1.00 0.00 O ATOM 636 OE2 GLU A 39 0.396 -10.670 -6.063 1.00 0.00 O ATOM 0 H GLU A 39 4.582 -11.326 -7.587 1.00 0.00 H new ATOM 0 HA GLU A 39 4.036 -8.830 -8.920 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.523 -10.067 -6.210 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.235 -8.357 -6.457 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.705 -8.923 -8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.950 -10.624 -8.020 1.00 0.00 H new ATOM 643 N LEU A 40 6.484 -9.062 -6.766 1.00 0.00 N ATOM 644 CA LEU A 40 7.654 -8.386 -6.215 1.00 0.00 C ATOM 645 C LEU A 40 8.584 -7.918 -7.325 1.00 0.00 C ATOM 646 O LEU A 40 9.028 -6.775 -7.321 1.00 0.00 O ATOM 647 CB LEU A 40 8.414 -9.321 -5.270 1.00 0.00 C ATOM 648 CG LEU A 40 9.330 -8.621 -4.257 1.00 0.00 C ATOM 649 CD1 LEU A 40 9.384 -9.396 -2.951 1.00 0.00 C ATOM 650 CD2 LEU A 40 10.733 -8.454 -4.826 1.00 0.00 C ATOM 0 H LEU A 40 6.432 -10.056 -6.543 1.00 0.00 H new ATOM 0 HA LEU A 40 7.307 -7.515 -5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.691 -9.926 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.016 -10.005 -5.868 1.00 0.00 H new ATOM 0 HG LEU A 40 8.915 -7.633 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.039 -8.881 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.382 -9.466 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.770 -10.398 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.366 -7.956 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.150 -9.434 -5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.688 -7.853 -5.734 1.00 0.00 H new ATOM 662 N GLN A 41 8.863 -8.810 -8.276 1.00 0.00 N ATOM 663 CA GLN A 41 9.750 -8.504 -9.397 1.00 0.00 C ATOM 664 C GLN A 41 9.213 -7.355 -10.245 1.00 0.00 C ATOM 665 O GLN A 41 9.968 -6.716 -10.968 1.00 0.00 O ATOM 666 CB GLN A 41 9.944 -9.742 -10.274 1.00 0.00 C ATOM 667 CG GLN A 41 10.933 -10.745 -9.703 1.00 0.00 C ATOM 668 CD GLN A 41 12.375 -10.397 -10.019 1.00 0.00 C ATOM 669 OE1 GLN A 41 12.899 -10.770 -11.066 1.00 0.00 O ATOM 670 NE2 GLN A 41 13.026 -9.680 -9.110 1.00 0.00 N ATOM 0 H GLN A 41 8.484 -9.757 -8.291 1.00 0.00 H new ATOM 0 HA GLN A 41 10.709 -8.198 -8.979 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.981 -10.233 -10.412 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.286 -9.428 -11.260 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.806 -10.798 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.708 -11.735 -10.099 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.553 -9.391 -8.254 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.999 -9.418 -9.268 1.00 0.00 H new ATOM 679 N GLU A 42 7.913 -7.102 -10.158 1.00 0.00 N ATOM 680 CA GLU A 42 7.296 -6.031 -10.926 1.00 0.00 C ATOM 681 C GLU A 42 7.620 -4.661 -10.326 1.00 0.00 C ATOM 682 O GLU A 42 8.195 -3.789 -10.994 1.00 0.00 O ATOM 683 CB GLU A 42 5.784 -6.231 -10.956 1.00 0.00 C ATOM 684 CG GLU A 42 5.283 -7.049 -12.135 1.00 0.00 C ATOM 685 CD GLU A 42 3.777 -7.217 -12.118 1.00 0.00 C ATOM 686 OE1 GLU A 42 3.296 -8.199 -11.516 1.00 0.00 O ATOM 687 OE2 GLU A 42 3.077 -6.364 -12.704 1.00 0.00 O ATOM 0 H GLU A 42 7.268 -7.623 -9.564 1.00 0.00 H new ATOM 0 HA GLU A 42 7.696 -6.063 -11.939 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.476 -6.721 -10.032 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.301 -5.254 -10.975 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.582 -6.564 -13.064 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.756 -8.031 -12.121 1.00 0.00 H new ATOM 694 N VAL A 43 7.278 -4.483 -9.047 1.00 0.00 N ATOM 695 CA VAL A 43 7.521 -3.214 -8.364 1.00 0.00 C ATOM 696 C VAL A 43 9.009 -3.016 -8.069 1.00 0.00 C ATOM 697 O VAL A 43 9.489 -1.889 -7.999 1.00 0.00 O ATOM 698 CB VAL A 43 6.686 -3.091 -7.060 1.00 0.00 C ATOM 699 CG1 VAL A 43 6.964 -4.241 -6.110 1.00 0.00 C ATOM 700 CG2 VAL A 43 6.936 -1.755 -6.368 1.00 0.00 C ATOM 0 H VAL A 43 6.835 -5.197 -8.469 1.00 0.00 H new ATOM 0 HA VAL A 43 7.199 -2.423 -9.041 1.00 0.00 H new ATOM 0 HB VAL A 43 5.635 -3.137 -7.345 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.363 -4.122 -5.209 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.709 -5.183 -6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.021 -4.245 -5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.338 -1.699 -5.459 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.992 -1.669 -6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.657 -0.941 -7.037 1.00 0.00 H new ATOM 710 N LEU A 44 9.747 -4.111 -7.925 1.00 0.00 N ATOM 711 CA LEU A 44 11.176 -4.025 -7.650 1.00 0.00 C ATOM 712 C LEU A 44 11.954 -3.709 -8.923 1.00 0.00 C ATOM 713 O LEU A 44 13.067 -3.184 -8.863 1.00 0.00 O ATOM 714 CB LEU A 44 11.684 -5.321 -7.028 1.00 0.00 C ATOM 715 CG LEU A 44 13.056 -5.223 -6.366 1.00 0.00 C ATOM 716 CD1 LEU A 44 12.922 -4.728 -4.936 1.00 0.00 C ATOM 717 CD2 LEU A 44 13.764 -6.568 -6.406 1.00 0.00 C ATOM 0 H LEU A 44 9.383 -5.061 -7.993 1.00 0.00 H new ATOM 0 HA LEU A 44 11.334 -3.214 -6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.961 -5.657 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 44 11.725 -6.087 -7.802 1.00 0.00 H new ATOM 0 HG LEU A 44 13.658 -4.504 -6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 44 13.910 -4.664 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.457 -3.742 -4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.303 -5.422 -4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.740 -6.479 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.167 -7.309 -5.875 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.893 -6.881 -7.442 1.00 0.00 H new ATOM 729 N ASP A 45 11.362 -4.035 -10.071 1.00 0.00 N ATOM 730 CA ASP A 45 11.992 -3.769 -11.358 1.00 0.00 C ATOM 731 C ASP A 45 11.977 -2.280 -11.668 1.00 0.00 C ATOM 732 O ASP A 45 12.983 -1.725 -12.110 1.00 0.00 O ATOM 733 CB ASP A 45 11.286 -4.533 -12.477 1.00 0.00 C ATOM 734 CG ASP A 45 12.217 -4.871 -13.624 1.00 0.00 C ATOM 735 OD1 ASP A 45 12.909 -5.907 -13.540 1.00 0.00 O ATOM 736 OD2 ASP A 45 12.255 -4.099 -14.605 1.00 0.00 O ATOM 0 H ASP A 45 10.448 -4.483 -10.134 1.00 0.00 H new ATOM 0 HA ASP A 45 13.026 -4.108 -11.297 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.862 -5.453 -12.074 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.454 -3.936 -12.852 1.00 0.00 H new ATOM 741 N LEU A 46 10.837 -1.628 -11.432 1.00 0.00 N ATOM 742 CA LEU A 46 10.736 -0.195 -11.704 1.00 0.00 C ATOM 743 C LEU A 46 11.503 0.617 -10.671 1.00 0.00 C ATOM 744 O LEU A 46 11.492 0.306 -9.479 1.00 0.00 O ATOM 745 CB LEU A 46 9.280 0.287 -11.761 1.00 0.00 C ATOM 746 CG LEU A 46 8.301 -0.401 -10.809 1.00 0.00 C ATOM 747 CD1 LEU A 46 8.102 0.433 -9.556 1.00 0.00 C ATOM 748 CD2 LEU A 46 6.972 -0.630 -11.502 1.00 0.00 C ATOM 0 H LEU A 46 9.989 -2.058 -11.062 1.00 0.00 H new ATOM 0 HA LEU A 46 11.182 -0.038 -12.686 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.265 1.357 -11.553 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.916 0.156 -12.780 1.00 0.00 H new ATOM 0 HG LEU A 46 8.719 -1.365 -10.520 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.402 -0.072 -8.890 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.058 0.561 -9.048 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.703 1.410 -9.829 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.283 -1.120 -10.814 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.554 0.327 -11.813 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.122 -1.262 -12.377 1.00 0.00 H new ATOM 760 N LYS A 47 12.172 1.657 -11.145 1.00 0.00 N ATOM 761 CA LYS A 47 12.937 2.535 -10.275 1.00 0.00 C ATOM 762 C LYS A 47 12.230 3.875 -10.139 1.00 0.00 C ATOM 763 O LYS A 47 12.784 4.836 -9.609 1.00 0.00 O ATOM 764 CB LYS A 47 14.347 2.733 -10.831 1.00 0.00 C ATOM 765 CG LYS A 47 15.393 2.967 -9.756 1.00 0.00 C ATOM 766 CD LYS A 47 16.775 3.160 -10.354 1.00 0.00 C ATOM 767 CE LYS A 47 17.810 3.446 -9.279 1.00 0.00 C ATOM 768 NZ LYS A 47 19.172 3.618 -9.852 1.00 0.00 N ATOM 0 H LYS A 47 12.200 1.914 -12.132 1.00 0.00 H new ATOM 0 HA LYS A 47 13.014 2.076 -9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.626 1.855 -11.414 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.344 3.582 -11.515 1.00 0.00 H new ATOM 0 HG2 LYS A 47 15.123 3.846 -9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 47 15.407 2.119 -9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 47 17.061 2.266 -10.908 1.00 0.00 H new ATOM 0 HD3 LYS A 47 16.752 3.984 -11.068 1.00 0.00 H new ATOM 0 HE2 LYS A 47 17.529 4.348 -8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.820 2.629 -8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 19.849 3.811 -9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 19.452 2.749 -10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.169 4.414 -10.521 1.00 0.00 H new ATOM 782 N THR A 48 10.998 3.923 -10.626 1.00 0.00 N ATOM 783 CA THR A 48 10.191 5.133 -10.573 1.00 0.00 C ATOM 784 C THR A 48 9.460 5.238 -9.236 1.00 0.00 C ATOM 785 O THR A 48 8.572 4.441 -8.949 1.00 0.00 O ATOM 786 CB THR A 48 9.176 5.143 -11.727 1.00 0.00 C ATOM 787 OG1 THR A 48 8.725 3.807 -11.979 1.00 0.00 O ATOM 788 CG2 THR A 48 9.810 5.709 -12.988 1.00 0.00 C ATOM 0 H THR A 48 10.532 3.129 -11.066 1.00 0.00 H new ATOM 0 HA THR A 48 10.855 5.992 -10.673 1.00 0.00 H new ATOM 0 HB THR A 48 8.331 5.771 -11.445 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.077 3.814 -12.714 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.077 5.709 -13.795 1.00 0.00 H new ATOM 0 HG22 THR A 48 10.144 6.730 -12.801 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.664 5.095 -13.273 1.00 0.00 H new ATOM 796 N PRO A 49 9.829 6.234 -8.409 1.00 0.00 N ATOM 797 CA PRO A 49 9.230 6.453 -7.079 1.00 0.00 C ATOM 798 C PRO A 49 7.712 6.627 -7.118 1.00 0.00 C ATOM 799 O PRO A 49 7.007 6.177 -6.213 1.00 0.00 O ATOM 800 CB PRO A 49 9.900 7.743 -6.595 1.00 0.00 C ATOM 801 CG PRO A 49 11.167 7.830 -7.371 1.00 0.00 C ATOM 802 CD PRO A 49 10.867 7.234 -8.712 1.00 0.00 C ATOM 0 HA PRO A 49 9.389 5.593 -6.428 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.265 8.610 -6.776 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.095 7.709 -5.523 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.496 8.865 -7.468 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.969 7.286 -6.872 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.509 7.985 -9.416 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.751 6.776 -9.156 1.00 0.00 H new ATOM 810 N GLU A 50 7.218 7.288 -8.162 1.00 0.00 N ATOM 811 CA GLU A 50 5.785 7.514 -8.321 1.00 0.00 C ATOM 812 C GLU A 50 5.048 6.195 -8.548 1.00 0.00 C ATOM 813 O GLU A 50 3.962 5.979 -8.011 1.00 0.00 O ATOM 814 CB GLU A 50 5.524 8.464 -9.490 1.00 0.00 C ATOM 815 CG GLU A 50 5.893 9.910 -9.202 1.00 0.00 C ATOM 816 CD GLU A 50 5.635 10.817 -10.389 1.00 0.00 C ATOM 817 OE1 GLU A 50 4.514 11.359 -10.489 1.00 0.00 O ATOM 818 OE2 GLU A 50 6.552 10.980 -11.220 1.00 0.00 O ATOM 0 H GLU A 50 7.791 7.677 -8.911 1.00 0.00 H new ATOM 0 HA GLU A 50 5.410 7.967 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.088 8.121 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.468 8.415 -9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.320 10.265 -8.345 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.946 9.966 -8.927 1.00 0.00 H new ATOM 825 N GLU A 51 5.651 5.316 -9.349 1.00 0.00 N ATOM 826 CA GLU A 51 5.060 4.016 -9.645 1.00 0.00 C ATOM 827 C GLU A 51 5.179 3.071 -8.450 1.00 0.00 C ATOM 828 O GLU A 51 4.324 2.214 -8.252 1.00 0.00 O ATOM 829 CB GLU A 51 5.715 3.392 -10.878 1.00 0.00 C ATOM 830 CG GLU A 51 4.819 2.404 -11.612 1.00 0.00 C ATOM 831 CD GLU A 51 5.066 2.392 -13.108 1.00 0.00 C ATOM 832 OE1 GLU A 51 6.191 2.040 -13.521 1.00 0.00 O ATOM 833 OE2 GLU A 51 4.134 2.731 -13.866 1.00 0.00 O ATOM 0 H GLU A 51 6.549 5.483 -9.803 1.00 0.00 H new ATOM 0 HA GLU A 51 4.001 4.173 -9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.005 4.186 -11.566 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.630 2.883 -10.574 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.984 1.403 -11.212 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.775 2.655 -11.422 1.00 0.00 H new ATOM 840 N GLN A 52 6.255 3.220 -7.669 1.00 0.00 N ATOM 841 CA GLN A 52 6.478 2.386 -6.487 1.00 0.00 C ATOM 842 C GLN A 52 5.337 2.549 -5.486 1.00 0.00 C ATOM 843 O GLN A 52 4.774 1.562 -5.010 1.00 0.00 O ATOM 844 CB GLN A 52 7.810 2.744 -5.824 1.00 0.00 C ATOM 845 CG GLN A 52 9.019 2.405 -6.680 1.00 0.00 C ATOM 846 CD GLN A 52 10.028 1.537 -5.961 1.00 0.00 C ATOM 847 OE1 GLN A 52 10.776 2.012 -5.108 1.00 0.00 O ATOM 848 NE2 GLN A 52 10.056 0.257 -6.305 1.00 0.00 N ATOM 0 H GLN A 52 6.985 3.912 -7.836 1.00 0.00 H new ATOM 0 HA GLN A 52 6.512 1.345 -6.809 1.00 0.00 H new ATOM 0 HB2 GLN A 52 7.821 3.810 -5.599 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.888 2.217 -4.873 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.686 1.893 -7.583 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.503 3.329 -6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.417 -0.094 -7.018 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.717 -0.377 -5.856 1.00 0.00 H new ATOM 857 N ALA A 53 5.000 3.800 -5.174 1.00 0.00 N ATOM 858 CA ALA A 53 3.916 4.092 -4.244 1.00 0.00 C ATOM 859 C ALA A 53 2.576 3.686 -4.845 1.00 0.00 C ATOM 860 O ALA A 53 1.672 3.255 -4.131 1.00 0.00 O ATOM 861 CB ALA A 53 3.912 5.566 -3.874 1.00 0.00 C ATOM 0 H ALA A 53 5.464 4.626 -5.553 1.00 0.00 H new ATOM 0 HA ALA A 53 4.076 3.512 -3.335 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.096 5.765 -3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.860 5.826 -3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.777 6.167 -4.774 1.00 0.00 H new ATOM 867 N LYS A 54 2.465 3.823 -6.168 1.00 0.00 N ATOM 868 CA LYS A 54 1.251 3.450 -6.885 1.00 0.00 C ATOM 869 C LYS A 54 1.048 1.941 -6.815 1.00 0.00 C ATOM 870 O LYS A 54 -0.080 1.455 -6.751 1.00 0.00 O ATOM 871 CB LYS A 54 1.347 3.892 -8.346 1.00 0.00 C ATOM 872 CG LYS A 54 0.011 4.273 -8.958 1.00 0.00 C ATOM 873 CD LYS A 54 0.165 4.735 -10.397 1.00 0.00 C ATOM 874 CE LYS A 54 -1.180 5.096 -11.003 1.00 0.00 C ATOM 875 NZ LYS A 54 -1.055 5.542 -12.419 1.00 0.00 N ATOM 0 H LYS A 54 3.206 4.191 -6.764 1.00 0.00 H new ATOM 0 HA LYS A 54 0.400 3.947 -6.419 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.024 4.743 -8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.788 3.086 -8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.664 3.418 -8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.447 5.067 -8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.828 5.599 -10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.633 3.947 -10.987 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.843 4.233 -10.953 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.642 5.888 -10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.996 5.778 -12.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.443 6.382 -12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.638 4.778 -12.988 1.00 0.00 H new ATOM 889 N LYS A 55 2.164 1.215 -6.817 1.00 0.00 N ATOM 890 CA LYS A 55 2.151 -0.238 -6.739 1.00 0.00 C ATOM 891 C LYS A 55 1.744 -0.694 -5.350 1.00 0.00 C ATOM 892 O LYS A 55 1.187 -1.770 -5.192 1.00 0.00 O ATOM 893 CB LYS A 55 3.528 -0.802 -7.090 1.00 0.00 C ATOM 894 CG LYS A 55 3.755 -0.950 -8.584 1.00 0.00 C ATOM 895 CD LYS A 55 3.090 -2.204 -9.127 1.00 0.00 C ATOM 896 CE LYS A 55 3.447 -2.428 -10.585 1.00 0.00 C ATOM 897 NZ LYS A 55 4.811 -2.999 -10.736 1.00 0.00 N ATOM 0 H LYS A 55 3.099 1.619 -6.873 1.00 0.00 H new ATOM 0 HA LYS A 55 1.422 -0.612 -7.458 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.296 -0.149 -6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.646 -1.775 -6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.361 -0.075 -9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.825 -0.987 -8.789 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.399 -3.067 -8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.008 -2.119 -9.024 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.719 -3.100 -11.039 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.387 -1.482 -11.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.106 -2.934 -11.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.478 -2.467 -10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.804 -3.996 -10.441 1.00 0.00 H new ATOM 911 N LEU A 56 2.020 0.136 -4.349 1.00 0.00 N ATOM 912 CA LEU A 56 1.673 -0.190 -2.971 1.00 0.00 C ATOM 913 C LEU A 56 0.171 -0.122 -2.759 1.00 0.00 C ATOM 914 O LEU A 56 -0.418 -1.016 -2.152 1.00 0.00 O ATOM 915 CB LEU A 56 2.367 0.755 -2.004 1.00 0.00 C ATOM 916 CG LEU A 56 2.563 0.192 -0.597 1.00 0.00 C ATOM 917 CD1 LEU A 56 3.876 -0.565 -0.513 1.00 0.00 C ATOM 918 CD2 LEU A 56 2.514 1.304 0.438 1.00 0.00 C ATOM 0 H LEU A 56 2.482 1.038 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 56 2.010 -1.208 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.341 1.022 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.787 1.675 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 56 1.750 -0.502 -0.384 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.004 -0.961 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.868 -1.388 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.700 0.109 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.656 0.882 1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.305 2.026 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.546 1.803 0.390 1.00 0.00 H new ATOM 930 N ILE A 57 -0.444 0.948 -3.252 1.00 0.00 N ATOM 931 CA ILE A 57 -1.883 1.115 -3.128 1.00 0.00 C ATOM 932 C ILE A 57 -2.599 0.070 -3.978 1.00 0.00 C ATOM 933 O ILE A 57 -3.669 -0.413 -3.615 1.00 0.00 O ATOM 934 CB ILE A 57 -2.330 2.532 -3.540 1.00 0.00 C ATOM 935 CG1 ILE A 57 -1.528 3.585 -2.774 1.00 0.00 C ATOM 936 CG2 ILE A 57 -3.819 2.722 -3.286 1.00 0.00 C ATOM 937 CD1 ILE A 57 -1.275 4.844 -3.570 1.00 0.00 C ATOM 0 H ILE A 57 0.031 1.708 -3.739 1.00 0.00 H new ATOM 0 HA ILE A 57 -2.149 0.978 -2.080 1.00 0.00 H new ATOM 0 HB ILE A 57 -2.143 2.653 -4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.062 3.843 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.572 3.156 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.113 3.728 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.383 1.992 -3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.028 2.582 -2.225 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.701 5.547 -2.966 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.714 4.598 -4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.227 5.297 -3.847 1.00 0.00 H new ATOM 949 N ASP A 58 -1.980 -0.294 -5.101 1.00 0.00 N ATOM 950 CA ASP A 58 -2.536 -1.302 -5.996 1.00 0.00 C ATOM 951 C ASP A 58 -2.292 -2.698 -5.435 1.00 0.00 C ATOM 952 O ASP A 58 -2.931 -3.663 -5.843 1.00 0.00 O ATOM 953 CB ASP A 58 -1.916 -1.179 -7.390 1.00 0.00 C ATOM 954 CG ASP A 58 -2.799 -0.405 -8.350 1.00 0.00 C ATOM 955 OD1 ASP A 58 -2.694 0.838 -8.383 1.00 0.00 O ATOM 956 OD2 ASP A 58 -3.595 -1.044 -9.070 1.00 0.00 O ATOM 0 H ASP A 58 -1.090 0.097 -5.411 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.611 -1.138 -6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.948 -0.684 -7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.733 -2.175 -7.792 1.00 0.00 H new ATOM 961 N PHE A 59 -1.353 -2.791 -4.493 1.00 0.00 N ATOM 962 CA PHE A 59 -1.020 -4.058 -3.855 1.00 0.00 C ATOM 963 C PHE A 59 -2.074 -4.434 -2.816 1.00 0.00 C ATOM 964 O PHE A 59 -2.406 -5.604 -2.653 1.00 0.00 O ATOM 965 CB PHE A 59 0.350 -3.967 -3.176 1.00 0.00 C ATOM 966 CG PHE A 59 1.386 -4.896 -3.740 1.00 0.00 C ATOM 967 CD1 PHE A 59 1.948 -4.662 -4.985 1.00 0.00 C ATOM 968 CD2 PHE A 59 1.812 -5.997 -3.016 1.00 0.00 C ATOM 969 CE1 PHE A 59 2.911 -5.507 -5.498 1.00 0.00 C ATOM 970 CE2 PHE A 59 2.773 -6.849 -3.524 1.00 0.00 C ATOM 971 CZ PHE A 59 3.325 -6.602 -4.766 1.00 0.00 C ATOM 0 H PHE A 59 -0.809 -1.997 -4.156 1.00 0.00 H new ATOM 0 HA PHE A 59 -0.993 -4.827 -4.627 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.715 -2.943 -3.258 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.230 -4.179 -2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.628 -3.807 -5.562 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.388 -6.192 -2.042 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.340 -5.312 -6.470 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.092 -7.707 -2.951 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.079 -7.265 -5.164 1.00 0.00 H new ATOM 981 N ILE A 60 -2.602 -3.430 -2.119 1.00 0.00 N ATOM 982 CA ILE A 60 -3.604 -3.666 -1.080 1.00 0.00 C ATOM 983 C ILE A 60 -5.040 -3.537 -1.600 1.00 0.00 C ATOM 984 O ILE A 60 -5.939 -4.221 -1.115 1.00 0.00 O ATOM 985 CB ILE A 60 -3.420 -2.704 0.124 1.00 0.00 C ATOM 986 CG1 ILE A 60 -3.152 -1.270 -0.345 1.00 0.00 C ATOM 987 CG2 ILE A 60 -2.288 -3.178 1.020 1.00 0.00 C ATOM 988 CD1 ILE A 60 -4.363 -0.368 -0.261 1.00 0.00 C ATOM 0 H ILE A 60 -2.355 -2.450 -2.253 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.446 -4.694 -0.755 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.349 -2.709 0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.350 -0.844 0.257 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.798 -1.294 -1.376 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.175 -2.490 1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.515 -4.175 1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.360 -3.209 0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.098 0.630 -0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.160 -0.770 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.705 -0.313 0.773 1.00 0.00 H new ATOM 1000 N LEU A 61 -5.253 -2.677 -2.594 1.00 0.00 N ATOM 1001 CA LEU A 61 -6.595 -2.459 -3.134 1.00 0.00 C ATOM 1002 C LEU A 61 -7.011 -3.543 -4.125 1.00 0.00 C ATOM 1003 O LEU A 61 -8.172 -3.605 -4.531 1.00 0.00 O ATOM 1004 CB LEU A 61 -6.693 -1.089 -3.802 1.00 0.00 C ATOM 1005 CG LEU A 61 -8.036 -0.383 -3.622 1.00 0.00 C ATOM 1006 CD1 LEU A 61 -8.129 0.237 -2.237 1.00 0.00 C ATOM 1007 CD2 LEU A 61 -8.232 0.675 -4.697 1.00 0.00 C ATOM 0 H LEU A 61 -4.521 -2.124 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.280 -2.504 -2.287 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.906 -0.449 -3.404 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.500 -1.206 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.830 -1.123 -3.722 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.092 0.736 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.035 -0.543 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.327 0.964 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.194 1.167 -4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.433 1.414 -4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.210 0.204 -5.680 1.00 0.00 H new ATOM 1019 N LYS A 62 -6.073 -4.400 -4.510 1.00 0.00 N ATOM 1020 CA LYS A 62 -6.368 -5.460 -5.465 1.00 0.00 C ATOM 1021 C LYS A 62 -6.682 -6.782 -4.778 1.00 0.00 C ATOM 1022 O LYS A 62 -7.280 -7.673 -5.381 1.00 0.00 O ATOM 1023 CB LYS A 62 -5.191 -5.646 -6.413 1.00 0.00 C ATOM 1024 CG LYS A 62 -5.608 -5.992 -7.827 1.00 0.00 C ATOM 1025 CD LYS A 62 -4.405 -6.119 -8.738 1.00 0.00 C ATOM 1026 CE LYS A 62 -4.816 -6.502 -10.148 1.00 0.00 C ATOM 1027 NZ LYS A 62 -3.640 -6.632 -11.050 1.00 0.00 N ATOM 0 H LYS A 62 -5.109 -4.382 -4.178 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.254 -5.157 -6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.599 -4.731 -6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -4.545 -6.436 -6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.166 -6.928 -7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.278 -5.222 -8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.862 -5.174 -8.760 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.723 -6.870 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.362 -7.445 -10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.497 -5.750 -10.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.961 -6.895 -12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -3.133 -5.725 -11.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.002 -7.368 -10.685 1.00 0.00 H new ATOM 1041 N LEU A 63 -6.285 -6.910 -3.520 1.00 0.00 N ATOM 1042 CA LEU A 63 -6.520 -8.140 -2.781 1.00 0.00 C ATOM 1043 C LEU A 63 -7.823 -8.081 -1.996 1.00 0.00 C ATOM 1044 O LEU A 63 -8.489 -7.045 -1.941 1.00 0.00 O ATOM 1045 CB LEU A 63 -5.349 -8.427 -1.846 1.00 0.00 C ATOM 1046 CG LEU A 63 -4.050 -8.820 -2.550 1.00 0.00 C ATOM 1047 CD1 LEU A 63 -2.856 -8.541 -1.656 1.00 0.00 C ATOM 1048 CD2 LEU A 63 -4.081 -10.286 -2.956 1.00 0.00 C ATOM 0 H LEU A 63 -5.802 -6.182 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.605 -8.952 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.163 -7.542 -1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.634 -9.229 -1.165 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.954 -8.217 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.940 -8.827 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.821 -7.478 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.948 -9.117 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.147 -10.545 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.202 -10.907 -2.068 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.916 -10.458 -3.636 1.00 0.00 H new ATOM 1060 N SER A 64 -8.177 -9.208 -1.394 1.00 0.00 N ATOM 1061 CA SER A 64 -9.398 -9.324 -0.612 1.00 0.00 C ATOM 1062 C SER A 64 -9.267 -8.631 0.748 1.00 0.00 C ATOM 1063 O SER A 64 -8.160 -8.386 1.226 1.00 0.00 O ATOM 1064 CB SER A 64 -9.739 -10.806 -0.423 1.00 0.00 C ATOM 1065 OG SER A 64 -10.184 -11.384 -1.638 1.00 0.00 O ATOM 0 H SER A 64 -7.626 -10.066 -1.434 1.00 0.00 H new ATOM 0 HA SER A 64 -10.202 -8.826 -1.154 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.861 -11.342 -0.062 1.00 0.00 H new ATOM 0 HB3 SER A 64 -10.512 -10.911 0.338 1.00 0.00 H new ATOM 0 HG SER A 64 -10.394 -12.330 -1.493 1.00 0.00 H new ATOM 1071 N PRO A 65 -10.412 -8.291 1.376 1.00 0.00 N ATOM 1072 CA PRO A 65 -10.449 -7.632 2.693 1.00 0.00 C ATOM 1073 C PRO A 65 -9.721 -8.421 3.789 1.00 0.00 C ATOM 1074 O PRO A 65 -9.239 -7.839 4.761 1.00 0.00 O ATOM 1075 CB PRO A 65 -11.947 -7.523 3.009 1.00 0.00 C ATOM 1076 CG PRO A 65 -12.626 -8.449 2.059 1.00 0.00 C ATOM 1077 CD PRO A 65 -11.766 -8.492 0.834 1.00 0.00 C ATOM 0 HA PRO A 65 -9.935 -6.671 2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.151 -7.803 4.042 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.301 -6.500 2.880 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.735 -9.443 2.494 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.629 -8.095 1.819 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -11.855 -9.444 0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.037 -7.712 0.123 1.00 0.00 H new ATOM 1085 N ALA A 66 -9.655 -9.743 3.639 1.00 0.00 N ATOM 1086 CA ALA A 66 -8.980 -10.594 4.618 1.00 0.00 C ATOM 1087 C ALA A 66 -7.460 -10.524 4.468 1.00 0.00 C ATOM 1088 O ALA A 66 -6.720 -10.757 5.425 1.00 0.00 O ATOM 1089 CB ALA A 66 -9.464 -12.030 4.480 1.00 0.00 C ATOM 0 H ALA A 66 -10.060 -10.247 2.850 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.229 -10.227 5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.956 -12.657 5.213 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.540 -12.070 4.652 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -9.243 -12.393 3.476 1.00 0.00 H new ATOM 1095 N ASP A 67 -7.003 -10.194 3.261 1.00 0.00 N ATOM 1096 CA ASP A 67 -5.574 -10.093 2.968 1.00 0.00 C ATOM 1097 C ASP A 67 -4.968 -8.813 3.548 1.00 0.00 C ATOM 1098 O ASP A 67 -3.858 -8.828 4.080 1.00 0.00 O ATOM 1099 CB ASP A 67 -5.347 -10.136 1.454 1.00 0.00 C ATOM 1100 CG ASP A 67 -4.084 -10.882 1.074 1.00 0.00 C ATOM 1101 OD1 ASP A 67 -2.996 -10.281 1.156 1.00 0.00 O ATOM 1102 OD2 ASP A 67 -4.184 -12.068 0.693 1.00 0.00 O ATOM 0 H ASP A 67 -7.607 -9.991 2.465 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.077 -10.942 3.438 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.203 -10.612 0.976 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.292 -9.117 1.070 1.00 0.00 H new ATOM 1107 N VAL A 68 -5.708 -7.708 3.447 1.00 0.00 N ATOM 1108 CA VAL A 68 -5.242 -6.419 3.955 1.00 0.00 C ATOM 1109 C VAL A 68 -5.225 -6.377 5.482 1.00 0.00 C ATOM 1110 O VAL A 68 -4.409 -5.672 6.067 1.00 0.00 O ATOM 1111 CB VAL A 68 -6.074 -5.228 3.426 1.00 0.00 C ATOM 1112 CG1 VAL A 68 -5.700 -4.910 1.990 1.00 0.00 C ATOM 1113 CG2 VAL A 68 -7.568 -5.490 3.544 1.00 0.00 C ATOM 0 H VAL A 68 -6.633 -7.681 3.018 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.223 -6.318 3.582 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.841 -4.363 4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.297 -4.069 1.636 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.642 -4.652 1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.892 -5.780 1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.119 -4.631 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.829 -6.375 2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.827 -5.652 4.590 1.00 0.00 H new ATOM 1123 N GLN A 69 -6.140 -7.119 6.115 1.00 0.00 N ATOM 1124 CA GLN A 69 -6.250 -7.155 7.580 1.00 0.00 C ATOM 1125 C GLN A 69 -4.901 -7.405 8.262 1.00 0.00 C ATOM 1126 O GLN A 69 -4.602 -6.797 9.289 1.00 0.00 O ATOM 1127 CB GLN A 69 -7.250 -8.234 8.011 1.00 0.00 C ATOM 1128 CG GLN A 69 -7.966 -7.913 9.316 1.00 0.00 C ATOM 1129 CD GLN A 69 -9.111 -6.940 9.122 1.00 0.00 C ATOM 1130 OE1 GLN A 69 -10.226 -7.335 8.786 1.00 0.00 O ATOM 1131 NE2 GLN A 69 -8.839 -5.658 9.332 1.00 0.00 N ATOM 0 H GLN A 69 -6.820 -7.707 5.633 1.00 0.00 H new ATOM 0 HA GLN A 69 -6.603 -6.173 7.895 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -7.991 -8.367 7.223 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.725 -9.183 8.118 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.347 -8.835 9.755 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -7.252 -7.494 10.025 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -7.899 -5.375 9.610 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.570 -4.956 9.216 1.00 0.00 H new ATOM 1140 N ALA A 70 -4.089 -8.285 7.681 1.00 0.00 N ATOM 1141 CA ALA A 70 -2.778 -8.610 8.237 1.00 0.00 C ATOM 1142 C ALA A 70 -1.792 -7.452 8.061 1.00 0.00 C ATOM 1143 O ALA A 70 -0.959 -7.197 8.933 1.00 0.00 O ATOM 1144 CB ALA A 70 -2.238 -9.875 7.583 1.00 0.00 C ATOM 0 H ALA A 70 -4.317 -8.787 6.823 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.895 -8.781 9.307 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.260 -10.112 8.002 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.923 -10.702 7.770 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.144 -9.717 6.509 1.00 0.00 H new ATOM 1150 N ARG A 71 -1.902 -6.751 6.932 1.00 0.00 N ATOM 1151 CA ARG A 71 -1.027 -5.618 6.625 1.00 0.00 C ATOM 1152 C ARG A 71 -1.376 -4.387 7.459 1.00 0.00 C ATOM 1153 O ARG A 71 -0.513 -3.556 7.742 1.00 0.00 O ATOM 1154 CB ARG A 71 -1.126 -5.265 5.142 1.00 0.00 C ATOM 1155 CG ARG A 71 -0.445 -6.266 4.223 1.00 0.00 C ATOM 1156 CD ARG A 71 -0.716 -5.942 2.764 1.00 0.00 C ATOM 1157 NE ARG A 71 0.110 -6.732 1.858 1.00 0.00 N ATOM 1158 CZ ARG A 71 -0.045 -6.750 0.535 1.00 0.00 C ATOM 1159 NH1 ARG A 71 -0.989 -6.019 -0.038 1.00 0.00 N ATOM 1160 NH2 ARG A 71 0.746 -7.502 -0.216 1.00 0.00 N ATOM 0 H ARG A 71 -2.594 -6.950 6.210 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.009 -5.919 6.871 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -2.178 -5.191 4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -0.684 -4.281 4.983 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.629 -6.260 4.406 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.801 -7.271 4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.768 -6.123 2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.531 -4.882 2.589 1.00 0.00 H new ATOM 0 HE ARG A 71 0.851 -7.305 2.262 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.602 -5.438 0.534 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.103 -6.037 -1.051 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.475 -8.068 0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.626 -7.515 -1.229 1.00 0.00 H new ATOM 1174 N ILE A 72 -2.645 -4.261 7.834 1.00 0.00 N ATOM 1175 CA ILE A 72 -3.092 -3.128 8.637 1.00 0.00 C ATOM 1176 C ILE A 72 -2.629 -3.287 10.085 1.00 0.00 C ATOM 1177 O ILE A 72 -2.307 -2.305 10.755 1.00 0.00 O ATOM 1178 CB ILE A 72 -4.633 -2.967 8.596 1.00 0.00 C ATOM 1179 CG1 ILE A 72 -5.110 -2.743 7.159 1.00 0.00 C ATOM 1180 CG2 ILE A 72 -5.089 -1.814 9.483 1.00 0.00 C ATOM 1181 CD1 ILE A 72 -6.506 -3.264 6.895 1.00 0.00 C ATOM 0 H ILE A 72 -3.380 -4.927 7.596 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.647 -2.230 8.209 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.075 -3.888 8.977 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.082 -1.676 6.938 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.415 -3.229 6.474 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.174 -1.725 9.434 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.786 -2.005 10.513 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.633 -0.886 9.137 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.776 -3.070 5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.536 -4.337 7.083 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.213 -2.760 7.554 1.00 0.00 H new ATOM 1193 N ASN A 73 -2.578 -4.536 10.549 1.00 0.00 N ATOM 1194 CA ASN A 73 -2.155 -4.838 11.915 1.00 0.00 C ATOM 1195 C ASN A 73 -0.663 -4.578 12.116 1.00 0.00 C ATOM 1196 O ASN A 73 -0.250 -4.084 13.164 1.00 0.00 O ATOM 1197 CB ASN A 73 -2.469 -6.296 12.258 1.00 0.00 C ATOM 1198 CG ASN A 73 -3.950 -6.544 12.475 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -4.685 -5.656 12.905 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -4.396 -7.760 12.179 1.00 0.00 N ATOM 0 H ASN A 73 -2.825 -5.357 9.996 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.709 -4.176 12.580 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.112 -6.939 11.453 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.922 -6.578 13.158 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.382 -7.986 12.306 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.752 -8.467 11.825 1.00 0.00 H new ATOM 1207 N VAL A 74 0.143 -4.909 11.104 1.00 0.00 N ATOM 1208 CA VAL A 74 1.590 -4.716 11.179 1.00 0.00 C ATOM 1209 C VAL A 74 1.956 -3.228 11.094 1.00 0.00 C ATOM 1210 O VAL A 74 2.894 -2.773 11.747 1.00 0.00 O ATOM 1211 CB VAL A 74 2.336 -5.533 10.086 1.00 0.00 C ATOM 1212 CG1 VAL A 74 2.164 -4.922 8.705 1.00 0.00 C ATOM 1213 CG2 VAL A 74 3.812 -5.674 10.424 1.00 0.00 C ATOM 0 H VAL A 74 -0.183 -5.311 10.225 1.00 0.00 H new ATOM 0 HA VAL A 74 1.916 -5.090 12.149 1.00 0.00 H new ATOM 0 HB VAL A 74 1.887 -6.526 10.066 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.701 -5.524 7.972 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.105 -4.896 8.448 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.563 -3.907 8.704 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.311 -6.249 9.644 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.266 -4.685 10.492 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.919 -6.189 11.379 1.00 0.00 H new ATOM 1223 N LEU A 75 1.196 -2.478 10.297 1.00 0.00 N ATOM 1224 CA LEU A 75 1.423 -1.045 10.113 1.00 0.00 C ATOM 1225 C LEU A 75 1.166 -0.260 11.396 1.00 0.00 C ATOM 1226 O LEU A 75 1.857 0.718 11.680 1.00 0.00 O ATOM 1227 CB LEU A 75 0.516 -0.529 8.995 1.00 0.00 C ATOM 1228 CG LEU A 75 1.061 0.657 8.204 1.00 0.00 C ATOM 1229 CD1 LEU A 75 2.248 0.231 7.359 1.00 0.00 C ATOM 1230 CD2 LEU A 75 -0.026 1.255 7.329 1.00 0.00 C ATOM 0 H LEU A 75 0.408 -2.845 9.762 1.00 0.00 H new ATOM 0 HA LEU A 75 2.469 -0.899 9.844 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.321 -1.347 8.302 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.442 -0.244 9.430 1.00 0.00 H new ATOM 0 HG LEU A 75 1.395 1.418 8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.624 1.089 6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.036 -0.155 8.006 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.938 -0.547 6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.379 2.100 6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.388 0.500 6.631 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.851 1.596 7.955 1.00 0.00 H new ATOM 1242 N ARG A 76 0.182 -0.700 12.171 1.00 0.00 N ATOM 1243 CA ARG A 76 -0.174 -0.030 13.418 1.00 0.00 C ATOM 1244 C ARG A 76 0.895 -0.209 14.498 1.00 0.00 C ATOM 1245 O ARG A 76 1.164 0.709 15.273 1.00 0.00 O ATOM 1246 CB ARG A 76 -1.516 -0.564 13.928 1.00 0.00 C ATOM 1247 CG ARG A 76 -2.705 -0.133 13.084 1.00 0.00 C ATOM 1248 CD ARG A 76 -3.279 1.193 13.558 1.00 0.00 C ATOM 1249 NE ARG A 76 -4.000 1.054 14.819 1.00 0.00 N ATOM 1250 CZ ARG A 76 -4.603 2.060 15.446 1.00 0.00 C ATOM 1251 NH1 ARG A 76 -4.575 3.286 14.934 1.00 0.00 N ATOM 1252 NH2 ARG A 76 -5.237 1.837 16.588 1.00 0.00 N ATOM 0 H ARG A 76 -0.386 -1.520 11.958 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.251 1.036 13.205 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.477 -1.653 13.956 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.667 -0.224 14.953 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.399 -0.045 12.042 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.478 -0.900 13.126 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.472 1.915 13.679 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.951 1.590 12.797 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.044 0.129 15.246 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.089 3.460 14.054 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.040 4.053 15.421 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.261 0.897 16.983 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.701 2.606 17.072 1.00 0.00 H new ATOM 1266 N ALA A 77 1.518 -1.383 14.536 1.00 0.00 N ATOM 1267 CA ALA A 77 2.529 -1.680 15.549 1.00 0.00 C ATOM 1268 C ALA A 77 3.934 -1.222 15.153 1.00 0.00 C ATOM 1269 O ALA A 77 4.823 -1.158 16.003 1.00 0.00 O ATOM 1270 CB ALA A 77 2.529 -3.169 15.855 1.00 0.00 C ATOM 0 H ALA A 77 1.342 -2.143 13.879 1.00 0.00 H new ATOM 0 HA ALA A 77 2.260 -1.114 16.440 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.284 -3.385 16.611 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.548 -3.464 16.228 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.755 -3.727 14.946 1.00 0.00 H new ATOM 1276 N HIS A 78 4.141 -0.897 13.879 1.00 0.00 N ATOM 1277 CA HIS A 78 5.461 -0.461 13.415 1.00 0.00 C ATOM 1278 C HIS A 78 5.625 1.055 13.490 1.00 0.00 C ATOM 1279 O HIS A 78 6.676 1.589 13.135 1.00 0.00 O ATOM 1280 CB HIS A 78 5.722 -0.952 11.989 1.00 0.00 C ATOM 1281 CG HIS A 78 6.398 -2.289 11.950 1.00 0.00 C ATOM 1282 ND1 HIS A 78 7.727 -2.455 11.618 1.00 0.00 N ATOM 1283 CD2 HIS A 78 5.925 -3.526 12.226 1.00 0.00 C ATOM 1284 CE1 HIS A 78 8.040 -3.737 11.695 1.00 0.00 C ATOM 1285 NE2 HIS A 78 6.964 -4.406 12.060 1.00 0.00 N ATOM 0 H HIS A 78 3.423 -0.926 13.155 1.00 0.00 H new ATOM 0 HA HIS A 78 6.198 -0.904 14.085 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.776 -1.013 11.452 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.340 -0.222 11.466 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.917 -3.775 12.522 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.011 -4.164 11.493 1.00 0.00 H new ATOM 0 HE2 HIS A 78 6.913 -5.415 12.197 1.00 0.00 H new ATOM 1294 N GLY A 79 4.589 1.746 13.954 1.00 0.00 N ATOM 1295 CA GLY A 79 4.660 3.193 14.075 1.00 0.00 C ATOM 1296 C GLY A 79 4.041 3.921 12.898 1.00 0.00 C ATOM 1297 O GLY A 79 3.993 5.150 12.884 1.00 0.00 O ATOM 0 H GLY A 79 3.704 1.333 14.248 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.154 3.500 14.991 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.704 3.492 14.171 1.00 0.00 H new ATOM 1301 N TYR A 80 3.561 3.168 11.910 1.00 0.00 N ATOM 1302 CA TYR A 80 2.942 3.762 10.728 1.00 0.00 C ATOM 1303 C TYR A 80 1.421 3.799 10.897 1.00 0.00 C ATOM 1304 O TYR A 80 0.661 3.512 9.972 1.00 0.00 O ATOM 1305 CB TYR A 80 3.346 2.979 9.474 1.00 0.00 C ATOM 1306 CG TYR A 80 4.819 3.098 9.136 1.00 0.00 C ATOM 1307 CD1 TYR A 80 5.768 2.327 9.797 1.00 0.00 C ATOM 1308 CD2 TYR A 80 5.261 3.984 8.161 1.00 0.00 C ATOM 1309 CE1 TYR A 80 7.110 2.432 9.494 1.00 0.00 C ATOM 1310 CE2 TYR A 80 6.603 4.093 7.852 1.00 0.00 C ATOM 1311 CZ TYR A 80 7.523 3.317 8.523 1.00 0.00 C ATOM 1312 OH TYR A 80 8.859 3.422 8.221 1.00 0.00 O ATOM 0 H TYR A 80 3.589 2.148 11.905 1.00 0.00 H new ATOM 0 HA TYR A 80 3.293 4.787 10.612 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.098 1.927 9.616 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.757 3.334 8.628 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.449 1.634 10.561 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.544 4.597 7.636 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.833 1.823 10.016 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.930 4.783 7.088 1.00 0.00 H new ATOM 0 HH TYR A 80 8.988 4.123 7.549 1.00 0.00 H new ATOM 1322 N GLN A 81 1.007 4.161 12.111 1.00 0.00 N ATOM 1323 CA GLN A 81 -0.405 4.257 12.495 1.00 0.00 C ATOM 1324 C GLN A 81 -1.172 5.276 11.654 1.00 0.00 C ATOM 1325 O GLN A 81 -2.315 5.027 11.271 1.00 0.00 O ATOM 1326 CB GLN A 81 -0.519 4.638 13.972 1.00 0.00 C ATOM 1327 CG GLN A 81 -0.077 3.542 14.926 1.00 0.00 C ATOM 1328 CD GLN A 81 -0.129 3.976 16.378 1.00 0.00 C ATOM 1329 OE1 GLN A 81 -1.151 3.827 17.046 1.00 0.00 O ATOM 1330 NE2 GLN A 81 0.977 4.520 16.874 1.00 0.00 N ATOM 0 H GLN A 81 1.649 4.399 12.867 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.850 3.278 12.319 1.00 0.00 H new ATOM 0 HB2 GLN A 81 0.082 5.529 14.155 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.554 4.901 14.191 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.714 2.668 14.789 1.00 0.00 H new ATOM 0 HG3 GLN A 81 0.940 3.238 14.678 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.803 4.625 16.284 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.000 4.833 17.845 1.00 0.00 H new ATOM 1339 N ALA A 82 -0.547 6.427 11.387 1.00 0.00 N ATOM 1340 CA ALA A 82 -1.174 7.483 10.589 1.00 0.00 C ATOM 1341 C ALA A 82 -1.527 6.974 9.195 1.00 0.00 C ATOM 1342 O ALA A 82 -2.530 7.377 8.605 1.00 0.00 O ATOM 1343 CB ALA A 82 -0.248 8.689 10.496 1.00 0.00 C ATOM 0 H ALA A 82 0.393 6.650 11.713 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.098 7.785 11.083 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.724 9.468 9.901 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.045 9.070 11.497 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.689 8.393 10.024 1.00 0.00 H new ATOM 1349 N LEU A 83 -0.684 6.084 8.687 1.00 0.00 N ATOM 1350 CA LEU A 83 -0.875 5.482 7.376 1.00 0.00 C ATOM 1351 C LEU A 83 -2.008 4.459 7.417 1.00 0.00 C ATOM 1352 O LEU A 83 -2.802 4.358 6.482 1.00 0.00 O ATOM 1353 CB LEU A 83 0.421 4.799 6.937 1.00 0.00 C ATOM 1354 CG LEU A 83 1.477 5.725 6.329 1.00 0.00 C ATOM 1355 CD1 LEU A 83 2.280 6.416 7.421 1.00 0.00 C ATOM 1356 CD2 LEU A 83 2.399 4.940 5.413 1.00 0.00 C ATOM 0 H LEU A 83 0.152 5.760 9.174 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.138 6.264 6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.857 4.296 7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.176 4.027 6.208 1.00 0.00 H new ATOM 0 HG LEU A 83 0.967 6.490 5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.025 7.069 6.967 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.611 7.008 8.046 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.780 5.667 8.034 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.146 5.610 4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.898 4.157 5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.816 4.489 4.610 1.00 0.00 H new ATOM 1368 N ALA A 84 -2.071 3.711 8.519 1.00 0.00 N ATOM 1369 CA ALA A 84 -3.082 2.674 8.709 1.00 0.00 C ATOM 1370 C ALA A 84 -4.480 3.261 8.898 1.00 0.00 C ATOM 1371 O ALA A 84 -5.475 2.598 8.612 1.00 0.00 O ATOM 1372 CB ALA A 84 -2.708 1.797 9.895 1.00 0.00 C ATOM 0 H ALA A 84 -1.424 3.807 9.302 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.109 2.068 7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.466 1.026 10.031 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.742 1.327 9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.647 2.409 10.795 1.00 0.00 H new ATOM 1378 N ASP A 85 -4.551 4.499 9.377 1.00 0.00 N ATOM 1379 CA ASP A 85 -5.832 5.166 9.601 1.00 0.00 C ATOM 1380 C ASP A 85 -6.401 5.725 8.298 1.00 0.00 C ATOM 1381 O ASP A 85 -7.617 5.846 8.144 1.00 0.00 O ATOM 1382 CB ASP A 85 -5.668 6.294 10.622 1.00 0.00 C ATOM 1383 CG ASP A 85 -6.932 6.538 11.424 1.00 0.00 C ATOM 1384 OD1 ASP A 85 -7.140 5.829 12.431 1.00 0.00 O ATOM 1385 OD2 ASP A 85 -7.713 7.437 11.045 1.00 0.00 O ATOM 0 H ASP A 85 -3.736 5.063 9.618 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.532 4.426 9.989 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.852 6.049 11.302 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.387 7.211 10.104 1.00 0.00 H new ATOM 1390 N LYS A 86 -5.515 6.053 7.361 1.00 0.00 N ATOM 1391 CA LYS A 86 -5.928 6.611 6.079 1.00 0.00 C ATOM 1392 C LYS A 86 -6.508 5.544 5.152 1.00 0.00 C ATOM 1393 O LYS A 86 -7.573 5.741 4.571 1.00 0.00 O ATOM 1394 CB LYS A 86 -4.748 7.313 5.402 1.00 0.00 C ATOM 1395 CG LYS A 86 -4.414 8.661 6.023 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.273 9.350 5.291 1.00 0.00 C ATOM 1397 CE LYS A 86 -2.937 10.695 5.918 1.00 0.00 C ATOM 1398 NZ LYS A 86 -1.842 11.393 5.186 1.00 0.00 N ATOM 0 H LYS A 86 -4.507 5.941 7.467 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.716 7.338 6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.871 6.668 5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.975 7.454 4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.297 9.300 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.144 8.523 7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.391 8.710 5.307 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.545 9.493 4.245 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.827 11.324 5.925 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.642 10.547 6.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.644 12.305 5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.985 10.805 5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.133 11.557 4.201 1.00 0.00 H new ATOM 1412 N LEU A 87 -5.817 4.413 5.021 1.00 0.00 N ATOM 1413 CA LEU A 87 -6.286 3.341 4.144 1.00 0.00 C ATOM 1414 C LEU A 87 -7.515 2.634 4.715 1.00 0.00 C ATOM 1415 O LEU A 87 -8.371 2.180 3.961 1.00 0.00 O ATOM 1416 CB LEU A 87 -5.173 2.316 3.869 1.00 0.00 C ATOM 1417 CG LEU A 87 -4.358 1.866 5.086 1.00 0.00 C ATOM 1418 CD1 LEU A 87 -4.946 0.601 5.691 1.00 0.00 C ATOM 1419 CD2 LEU A 87 -2.906 1.636 4.694 1.00 0.00 C ATOM 0 H LEU A 87 -4.941 4.216 5.504 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.571 3.810 3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.623 1.435 3.412 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.488 2.741 3.135 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.399 2.656 5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.351 0.300 6.553 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.972 0.791 6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.937 -0.196 4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.339 1.317 5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.854 0.864 3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.483 2.562 4.306 1.00 0.00 H new ATOM 1431 N ASN A 88 -7.602 2.550 6.042 1.00 0.00 N ATOM 1432 CA ASN A 88 -8.726 1.880 6.693 1.00 0.00 C ATOM 1433 C ASN A 88 -10.023 2.670 6.546 1.00 0.00 C ATOM 1434 O ASN A 88 -11.088 2.087 6.364 1.00 0.00 O ATOM 1435 CB ASN A 88 -8.430 1.646 8.176 1.00 0.00 C ATOM 1436 CG ASN A 88 -9.121 0.406 8.710 1.00 0.00 C ATOM 1437 OD1 ASN A 88 -8.613 -0.706 8.577 1.00 0.00 O ATOM 1438 ND2 ASN A 88 -10.287 0.591 9.316 1.00 0.00 N ATOM 0 H ASN A 88 -6.910 2.936 6.685 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.857 0.920 6.194 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.354 1.550 8.319 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.752 2.515 8.750 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.798 -0.207 9.693 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.672 1.531 9.405 1.00 0.00 H new ATOM 1445 N LYS A 89 -9.932 3.995 6.615 1.00 0.00 N ATOM 1446 CA LYS A 89 -11.113 4.845 6.507 1.00 0.00 C ATOM 1447 C LYS A 89 -11.729 4.782 5.112 1.00 0.00 C ATOM 1448 O LYS A 89 -12.947 4.666 4.973 1.00 0.00 O ATOM 1449 CB LYS A 89 -10.765 6.294 6.864 1.00 0.00 C ATOM 1450 CG LYS A 89 -11.899 7.041 7.552 1.00 0.00 C ATOM 1451 CD LYS A 89 -12.803 7.732 6.543 1.00 0.00 C ATOM 1452 CE LYS A 89 -13.928 8.489 7.230 1.00 0.00 C ATOM 1453 NZ LYS A 89 -14.962 7.571 7.787 1.00 0.00 N ATOM 0 H LYS A 89 -9.056 4.502 6.745 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.852 4.470 7.215 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.890 6.299 7.514 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.489 6.827 5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -12.486 6.344 8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -11.486 7.780 8.238 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.215 8.422 5.939 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.224 6.991 5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.516 9.100 8.033 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.394 9.170 6.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.719 8.129 8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.362 6.993 7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.527 6.949 8.498 1.00 0.00 H new ATOM 1467 N TYR A 90 -10.888 4.852 4.084 1.00 0.00 N ATOM 1468 CA TYR A 90 -11.360 4.804 2.703 1.00 0.00 C ATOM 1469 C TYR A 90 -11.847 3.405 2.336 1.00 0.00 C ATOM 1470 O TYR A 90 -12.705 3.241 1.469 1.00 0.00 O ATOM 1471 CB TYR A 90 -10.247 5.236 1.749 1.00 0.00 C ATOM 1472 CG TYR A 90 -10.056 6.732 1.691 1.00 0.00 C ATOM 1473 CD1 TYR A 90 -10.776 7.507 0.794 1.00 0.00 C ATOM 1474 CD2 TYR A 90 -9.165 7.371 2.542 1.00 0.00 C ATOM 1475 CE1 TYR A 90 -10.607 8.877 0.741 1.00 0.00 C ATOM 1476 CE2 TYR A 90 -8.990 8.738 2.497 1.00 0.00 C ATOM 1477 CZ TYR A 90 -9.715 9.487 1.599 1.00 0.00 C ATOM 1478 OH TYR A 90 -9.542 10.852 1.555 1.00 0.00 O ATOM 0 H TYR A 90 -9.877 4.942 4.181 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.199 5.493 2.610 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -9.312 4.769 2.058 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -10.472 4.867 0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -11.480 7.032 0.127 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.599 6.787 3.252 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -11.169 9.467 0.032 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -8.288 9.218 3.163 1.00 0.00 H new ATOM 0 HH TYR A 90 -10.381 11.279 1.282 1.00 0.00 H new ATOM 1488 N LEU A 91 -11.294 2.403 3.007 1.00 0.00 N ATOM 1489 CA LEU A 91 -11.659 1.015 2.764 1.00 0.00 C ATOM 1490 C LEU A 91 -13.007 0.679 3.406 1.00 0.00 C ATOM 1491 O LEU A 91 -13.829 -0.021 2.815 1.00 0.00 O ATOM 1492 CB LEU A 91 -10.560 0.097 3.307 1.00 0.00 C ATOM 1493 CG LEU A 91 -10.917 -1.385 3.391 1.00 0.00 C ATOM 1494 CD1 LEU A 91 -9.834 -2.227 2.737 1.00 0.00 C ATOM 1495 CD2 LEU A 91 -11.112 -1.795 4.844 1.00 0.00 C ATOM 0 H LEU A 91 -10.585 2.528 3.730 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.759 0.861 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.678 0.204 2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.283 0.442 4.303 1.00 0.00 H new ATOM 0 HG LEU A 91 -11.851 -1.553 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -10.102 -3.281 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.736 -1.944 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.886 -2.061 3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -11.366 -2.854 4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.191 -1.617 5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -11.919 -1.208 5.283 1.00 0.00 H new ATOM 1507 N THR A 92 -13.229 1.186 4.618 1.00 0.00 N ATOM 1508 CA THR A 92 -14.474 0.941 5.343 1.00 0.00 C ATOM 1509 C THR A 92 -15.484 2.069 5.120 1.00 0.00 C ATOM 1510 O THR A 92 -16.468 2.185 5.854 1.00 0.00 O ATOM 1511 CB THR A 92 -14.229 0.763 6.858 1.00 0.00 C ATOM 1512 OG1 THR A 92 -12.975 0.107 7.082 1.00 0.00 O ATOM 1513 CG2 THR A 92 -15.346 -0.053 7.495 1.00 0.00 C ATOM 0 H THR A 92 -12.560 1.771 5.119 1.00 0.00 H new ATOM 0 HA THR A 92 -14.886 0.014 4.945 1.00 0.00 H new ATOM 0 HB THR A 92 -14.210 1.752 7.315 1.00 0.00 H new ATOM 0 HG1 THR A 92 -12.242 0.733 6.904 1.00 0.00 H new ATOM 0 HG21 THR A 92 -15.152 -0.165 8.562 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.298 0.459 7.351 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.389 -1.037 7.029 1.00 0.00 H new ATOM 1521 N LEU A 93 -15.222 2.909 4.116 1.00 0.00 N ATOM 1522 CA LEU A 93 -16.107 4.027 3.786 1.00 0.00 C ATOM 1523 C LEU A 93 -17.550 3.553 3.633 1.00 0.00 C ATOM 1524 O LEU A 93 -18.477 4.189 4.138 1.00 0.00 O ATOM 1525 CB LEU A 93 -15.651 4.706 2.493 1.00 0.00 C ATOM 1526 CG LEU A 93 -16.119 6.153 2.323 1.00 0.00 C ATOM 1527 CD1 LEU A 93 -15.164 7.105 3.023 1.00 0.00 C ATOM 1528 CD2 LEU A 93 -16.240 6.503 0.848 1.00 0.00 C ATOM 0 H LEU A 93 -14.401 2.835 3.516 1.00 0.00 H new ATOM 0 HA LEU A 93 -16.059 4.745 4.605 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -14.562 4.685 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -16.012 4.121 1.647 1.00 0.00 H new ATOM 0 HG LEU A 93 -17.103 6.255 2.781 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -15.511 8.130 2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -15.127 6.867 4.086 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -14.168 7.002 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -16.574 7.536 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -15.270 6.386 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -16.963 5.839 0.375 1.00 0.00 H new ATOM 1540 N GLU A 94 -17.728 2.431 2.942 1.00 0.00 N ATOM 1541 CA GLU A 94 -19.052 1.862 2.730 1.00 0.00 C ATOM 1542 C GLU A 94 -19.012 0.343 2.867 1.00 0.00 C ATOM 1543 O GLU A 94 -19.785 -0.197 3.689 1.00 0.00 O ATOM 1544 CB GLU A 94 -19.590 2.261 1.351 1.00 0.00 C ATOM 1545 CG GLU A 94 -20.176 3.665 1.307 1.00 0.00 C ATOM 1546 CD GLU A 94 -20.722 4.028 -0.059 1.00 0.00 C ATOM 1547 OE1 GLU A 94 -19.938 4.511 -0.902 1.00 0.00 O ATOM 1548 OE2 GLU A 94 -21.935 3.831 -0.286 1.00 0.00 O ATOM 0 H GLU A 94 -16.969 1.898 2.519 1.00 0.00 H new ATOM 0 HA GLU A 94 -19.723 2.258 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -18.783 2.190 0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -20.356 1.547 1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -20.974 3.745 2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -19.407 4.384 1.589 1.00 0.00 H new TER 1555 GLU A 94