USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 547 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 Single : A 7 ASN : amide:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 12 THR OG1 : rot 77:sc= 0.261 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.393 X(o=-0.39,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0556) USER MOD Single : A 29 TYR OH : rot 180:sc= -2.02! USER MOD Single : A 31 SER OG : rot 74:sc= -0.791 USER MOD Single : A 35 LYS NZ :NH3+ 167:sc= -0.01 (180deg=-0.179) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -141:sc= 1.09 (180deg=0.187) USER MOD Single : A 43 MET CE :methyl -139:sc= -0.13 (180deg=-2.88!) USER MOD Single : A 46 HIS : no HE2:sc= 0.319 K(o=0.32,f=-4.4!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.268 USER MOD Single : A 52 HIS : no HE2:sc= 0.4 K(o=0.4,f=-1.8!) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0148 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -140:sc= -1.75! USER MOD Single : A 63 ASN : amide:sc= 1.03 K(o=1,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 -2.948 3.773 -13.286 1.00 0.00 N ATOM 2 CA ASN A 7 -3.735 4.805 -12.620 1.00 0.00 C ATOM 3 C ASN A 7 -4.495 4.202 -11.452 1.00 0.00 C ATOM 4 O ASN A 7 -4.451 4.703 -10.337 1.00 0.00 O ATOM 5 CB ASN A 7 -4.720 5.445 -13.611 1.00 0.00 C ATOM 6 CG ASN A 7 -5.600 6.539 -13.007 1.00 0.00 C ATOM 7 OD1 ASN A 7 -6.756 6.708 -13.413 1.00 0.00 O ATOM 8 ND2 ASN A 7 -5.076 7.303 -12.085 1.00 0.00 N ATOM 0 HA ASN A 7 -3.060 5.576 -12.248 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.157 5.867 -14.444 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.361 4.665 -14.022 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.623 8.063 -11.680 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.120 7.139 -11.770 1.00 0.00 H new ATOM 15 N ARG A 8 -5.176 3.120 -11.710 1.00 0.00 N ATOM 16 CA ARG A 8 -5.931 2.433 -10.697 1.00 0.00 C ATOM 17 C ARG A 8 -5.417 1.016 -10.532 1.00 0.00 C ATOM 18 O ARG A 8 -5.833 0.101 -11.258 1.00 0.00 O ATOM 19 CB ARG A 8 -7.417 2.408 -11.039 1.00 0.00 C ATOM 20 CG ARG A 8 -8.121 3.746 -10.983 1.00 0.00 C ATOM 21 CD ARG A 8 -8.062 4.333 -9.585 1.00 0.00 C ATOM 22 NE ARG A 8 -8.905 5.517 -9.460 1.00 0.00 N ATOM 23 CZ ARG A 8 -8.828 6.419 -8.484 1.00 0.00 C ATOM 24 NH1 ARG A 8 -7.835 6.380 -7.599 1.00 0.00 N ATOM 25 NH2 ARG A 8 -9.727 7.381 -8.408 1.00 0.00 N ATOM 0 H ARG A 8 -5.224 2.687 -12.632 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.805 2.974 -9.759 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.534 1.997 -12.042 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.918 1.724 -10.354 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.658 4.434 -11.690 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.161 3.627 -11.288 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.380 3.582 -8.862 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.032 4.593 -9.343 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.612 5.666 -10.180 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.122 5.653 -7.664 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.787 7.077 -6.856 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -10.478 7.432 -9.096 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.671 8.074 -7.661 1.00 0.00 H new ATOM 39 N PRO A 9 -4.468 0.814 -9.634 1.00 0.00 N ATOM 40 CA PRO A 9 -3.896 -0.471 -9.380 1.00 0.00 C ATOM 41 C PRO A 9 -4.468 -1.100 -8.107 1.00 0.00 C ATOM 42 O PRO A 9 -5.568 -0.757 -7.647 1.00 0.00 O ATOM 43 CB PRO A 9 -2.434 -0.098 -9.166 1.00 0.00 C ATOM 44 CG PRO A 9 -2.496 1.216 -8.448 1.00 0.00 C ATOM 45 CD PRO A 9 -3.839 1.834 -8.783 1.00 0.00 C ATOM 0 HA PRO A 9 -4.080 -1.200 -10.170 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.912 -0.851 -8.576 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.902 -0.011 -10.113 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.393 1.074 -7.372 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.681 1.868 -8.763 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.428 2.031 -7.887 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.727 2.784 -9.306 1.00 0.00 H new ATOM 53 N GLY A 10 -3.732 -2.012 -7.567 1.00 0.00 N ATOM 54 CA GLY A 10 -4.086 -2.663 -6.373 1.00 0.00 C ATOM 55 C GLY A 10 -2.939 -3.497 -5.962 1.00 0.00 C ATOM 56 O GLY A 10 -1.996 -3.628 -6.746 1.00 0.00 O ATOM 0 H GLY A 10 -2.846 -2.326 -7.963 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.328 -1.936 -5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.973 -3.278 -6.521 1.00 0.00 H new ATOM 60 N ILE A 11 -2.988 -4.037 -4.760 1.00 0.00 N ATOM 61 CA ILE A 11 -1.916 -4.877 -4.211 1.00 0.00 C ATOM 62 C ILE A 11 -1.608 -6.026 -5.173 1.00 0.00 C ATOM 63 O ILE A 11 -2.368 -6.972 -5.271 1.00 0.00 O ATOM 64 CB ILE A 11 -2.329 -5.472 -2.836 1.00 0.00 C ATOM 65 CG1 ILE A 11 -2.891 -4.365 -1.939 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.131 -6.151 -2.167 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.405 -4.834 -0.591 1.00 0.00 C ATOM 0 H ILE A 11 -3.775 -3.910 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.033 -4.252 -4.080 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.103 -6.224 -2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.112 -3.620 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.703 -3.866 -2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.437 -6.563 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.765 -6.955 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.337 -5.420 -2.013 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.782 -3.980 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.209 -5.555 -0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.594 -5.304 -0.036 1.00 0.00 H new ATOM 79 N THR A 12 -0.520 -5.911 -5.897 1.00 0.00 N ATOM 80 CA THR A 12 -0.157 -6.912 -6.889 1.00 0.00 C ATOM 81 C THR A 12 0.582 -8.106 -6.222 1.00 0.00 C ATOM 82 O THR A 12 0.871 -9.121 -6.855 1.00 0.00 O ATOM 83 CB THR A 12 0.709 -6.246 -7.978 1.00 0.00 C ATOM 84 OG1 THR A 12 0.099 -4.983 -8.333 1.00 0.00 O ATOM 85 CG2 THR A 12 0.791 -7.109 -9.233 1.00 0.00 C ATOM 0 H THR A 12 0.136 -5.133 -5.822 1.00 0.00 H new ATOM 0 HA THR A 12 -1.058 -7.314 -7.352 1.00 0.00 H new ATOM 0 HB THR A 12 1.717 -6.111 -7.585 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.297 -4.318 -7.641 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.409 -6.609 -9.979 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.233 -8.073 -8.983 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.210 -7.262 -9.635 1.00 0.00 H new ATOM 93 N PHE A 13 0.870 -7.948 -4.925 1.00 0.00 N ATOM 94 CA PHE A 13 1.521 -8.965 -4.071 1.00 0.00 C ATOM 95 C PHE A 13 3.009 -9.158 -4.447 1.00 0.00 C ATOM 96 O PHE A 13 3.677 -10.071 -3.988 1.00 0.00 O ATOM 97 CB PHE A 13 0.703 -10.294 -4.076 1.00 0.00 C ATOM 98 CG PHE A 13 1.146 -11.346 -3.086 1.00 0.00 C ATOM 99 CD1 PHE A 13 0.930 -11.169 -1.729 1.00 0.00 C ATOM 100 CD2 PHE A 13 1.777 -12.505 -3.514 1.00 0.00 C ATOM 101 CE1 PHE A 13 1.336 -12.125 -0.819 1.00 0.00 C ATOM 102 CE2 PHE A 13 2.187 -13.463 -2.610 1.00 0.00 C ATOM 103 CZ PHE A 13 1.965 -13.274 -1.261 1.00 0.00 C ATOM 0 H PHE A 13 0.653 -7.088 -4.421 1.00 0.00 H new ATOM 0 HA PHE A 13 1.524 -8.604 -3.042 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.342 -10.055 -3.880 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.749 -10.723 -5.077 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.439 -10.273 -1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.950 -12.659 -4.569 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.162 -11.975 0.236 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.681 -14.359 -2.957 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.283 -14.023 -0.551 1.00 0.00 H new ATOM 113 N GLU A 14 3.517 -8.248 -5.228 1.00 0.00 N ATOM 114 CA GLU A 14 4.905 -8.265 -5.622 1.00 0.00 C ATOM 115 C GLU A 14 5.642 -7.087 -5.069 1.00 0.00 C ATOM 116 O GLU A 14 5.156 -5.955 -5.124 1.00 0.00 O ATOM 117 CB GLU A 14 5.079 -8.322 -7.138 1.00 0.00 C ATOM 118 CG GLU A 14 4.956 -9.707 -7.710 1.00 0.00 C ATOM 119 CD GLU A 14 5.971 -10.632 -7.094 1.00 0.00 C ATOM 120 OE1 GLU A 14 7.183 -10.436 -7.301 1.00 0.00 O ATOM 121 OE2 GLU A 14 5.585 -11.536 -6.336 1.00 0.00 O ATOM 0 H GLU A 14 2.982 -7.469 -5.613 1.00 0.00 H new ATOM 0 HA GLU A 14 5.330 -9.177 -5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.333 -7.678 -7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.057 -7.917 -7.398 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.952 -10.091 -7.531 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.097 -9.673 -8.790 1.00 0.00 H new ATOM 128 N ILE A 15 6.798 -7.351 -4.537 1.00 0.00 N ATOM 129 CA ILE A 15 7.652 -6.331 -4.015 1.00 0.00 C ATOM 130 C ILE A 15 8.254 -5.603 -5.195 1.00 0.00 C ATOM 131 O ILE A 15 9.059 -6.160 -5.941 1.00 0.00 O ATOM 132 CB ILE A 15 8.759 -6.946 -3.128 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.119 -7.674 -1.933 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.729 -5.869 -2.657 1.00 0.00 C ATOM 135 CD1 ILE A 15 9.094 -8.458 -1.086 1.00 0.00 C ATOM 0 H ILE A 15 7.178 -8.294 -4.453 1.00 0.00 H new ATOM 0 HA ILE A 15 7.086 -5.641 -3.388 1.00 0.00 H new ATOM 0 HB ILE A 15 9.326 -7.669 -3.714 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.617 -6.940 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.352 -8.353 -2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.501 -6.321 -2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.193 -5.394 -3.521 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.188 -5.120 -2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.559 -8.939 -0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.579 -9.218 -1.699 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.848 -7.783 -0.681 1.00 0.00 H new ATOM 147 N GLY A 16 7.829 -4.395 -5.386 1.00 0.00 N ATOM 148 CA GLY A 16 8.241 -3.647 -6.536 1.00 0.00 C ATOM 149 C GLY A 16 7.057 -3.262 -7.366 1.00 0.00 C ATOM 150 O GLY A 16 7.155 -2.424 -8.273 1.00 0.00 O ATOM 0 H GLY A 16 7.194 -3.901 -4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.778 -2.752 -6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.933 -4.240 -7.133 1.00 0.00 H new ATOM 154 N ALA A 17 5.935 -3.867 -7.058 1.00 0.00 N ATOM 155 CA ALA A 17 4.702 -3.587 -7.740 1.00 0.00 C ATOM 156 C ALA A 17 3.898 -2.594 -6.924 1.00 0.00 C ATOM 157 O ALA A 17 4.291 -2.240 -5.791 1.00 0.00 O ATOM 158 CB ALA A 17 3.920 -4.865 -7.959 1.00 0.00 C ATOM 0 H ALA A 17 5.855 -4.570 -6.323 1.00 0.00 H new ATOM 0 HA ALA A 17 4.914 -3.155 -8.718 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.988 -4.637 -8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.511 -5.554 -8.562 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.697 -5.325 -6.996 1.00 0.00 H new ATOM 164 N ARG A 18 2.788 -2.147 -7.462 1.00 0.00 N ATOM 165 CA ARG A 18 1.988 -1.163 -6.807 1.00 0.00 C ATOM 166 C ARG A 18 0.906 -1.807 -5.964 1.00 0.00 C ATOM 167 O ARG A 18 0.674 -3.029 -6.005 1.00 0.00 O ATOM 168 CB ARG A 18 1.309 -0.176 -7.801 1.00 0.00 C ATOM 169 CG ARG A 18 2.230 0.706 -8.650 1.00 0.00 C ATOM 170 CD ARG A 18 2.967 -0.091 -9.706 1.00 0.00 C ATOM 171 NE ARG A 18 3.750 0.750 -10.606 1.00 0.00 N ATOM 172 CZ ARG A 18 4.582 0.271 -11.541 1.00 0.00 C ATOM 173 NH1 ARG A 18 4.782 -1.043 -11.641 1.00 0.00 N ATOM 174 NH2 ARG A 18 5.212 1.095 -12.361 1.00 0.00 N ATOM 0 H ARG A 18 2.423 -2.459 -8.362 1.00 0.00 H new ATOM 0 HA ARG A 18 2.677 -0.602 -6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.680 -0.756 -8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.648 0.476 -7.231 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.641 1.487 -9.131 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.952 1.204 -8.003 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.628 -0.807 -9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.247 -0.667 -10.288 1.00 0.00 H new ATOM 0 HE ARG A 18 3.659 1.762 -10.518 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.302 -1.682 -11.007 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.415 -1.410 -12.352 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.066 2.102 -12.284 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.844 0.724 -13.071 1.00 0.00 H new ATOM 188 N LEU A 19 0.315 -0.985 -5.171 1.00 0.00 N ATOM 189 CA LEU A 19 -0.860 -1.281 -4.397 1.00 0.00 C ATOM 190 C LEU A 19 -1.693 -0.011 -4.324 1.00 0.00 C ATOM 191 O LEU A 19 -1.168 1.070 -4.631 1.00 0.00 O ATOM 192 CB LEU A 19 -0.487 -1.850 -2.996 1.00 0.00 C ATOM 193 CG LEU A 19 0.626 -1.133 -2.197 1.00 0.00 C ATOM 194 CD1 LEU A 19 0.235 0.254 -1.808 1.00 0.00 C ATOM 195 CD2 LEU A 19 0.985 -1.924 -0.963 1.00 0.00 C ATOM 0 H LEU A 19 0.650 -0.032 -5.030 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.450 -2.065 -4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.389 -1.852 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.188 -2.890 -3.126 1.00 0.00 H new ATOM 0 HG LEU A 19 1.494 -1.065 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.048 0.718 -1.249 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.031 0.839 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.659 0.219 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.770 -1.404 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.105 -2.028 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.340 -2.912 -1.255 1.00 0.00 H new ATOM 207 N GLU A 20 -2.952 -0.096 -3.959 1.00 0.00 N ATOM 208 CA GLU A 20 -3.725 1.122 -3.860 1.00 0.00 C ATOM 209 C GLU A 20 -3.692 1.522 -2.410 1.00 0.00 C ATOM 210 O GLU A 20 -4.020 0.713 -1.556 1.00 0.00 O ATOM 211 CB GLU A 20 -5.158 0.855 -4.298 1.00 0.00 C ATOM 212 CG GLU A 20 -6.016 2.091 -4.484 1.00 0.00 C ATOM 213 CD GLU A 20 -5.802 2.747 -5.815 1.00 0.00 C ATOM 214 OE1 GLU A 20 -4.767 3.365 -6.032 1.00 0.00 O ATOM 215 OE2 GLU A 20 -6.703 2.646 -6.672 1.00 0.00 O ATOM 0 H GLU A 20 -3.448 -0.958 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.322 1.910 -4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.137 0.302 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.633 0.210 -3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -7.066 1.818 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.794 2.805 -3.691 1.00 0.00 H new ATOM 222 N ALA A 21 -3.245 2.706 -2.122 1.00 0.00 N ATOM 223 CA ALA A 21 -3.181 3.153 -0.754 1.00 0.00 C ATOM 224 C ALA A 21 -3.837 4.491 -0.616 1.00 0.00 C ATOM 225 O ALA A 21 -3.983 5.181 -1.593 1.00 0.00 O ATOM 226 CB ALA A 21 -1.746 3.216 -0.273 1.00 0.00 C ATOM 0 H ALA A 21 -2.918 3.383 -2.811 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.715 2.434 -0.133 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -1.724 3.556 0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.296 2.225 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.184 3.912 -0.896 1.00 0.00 H new ATOM 232 N LEU A 22 -4.250 4.827 0.593 1.00 0.00 N ATOM 233 CA LEU A 22 -4.876 6.106 0.900 1.00 0.00 C ATOM 234 C LEU A 22 -3.909 6.841 1.739 1.00 0.00 C ATOM 235 O LEU A 22 -3.651 6.464 2.862 1.00 0.00 O ATOM 236 CB LEU A 22 -6.212 5.885 1.677 1.00 0.00 C ATOM 237 CG LEU A 22 -7.208 7.075 1.833 1.00 0.00 C ATOM 238 CD1 LEU A 22 -8.476 6.597 2.504 1.00 0.00 C ATOM 239 CD2 LEU A 22 -6.646 8.218 2.646 1.00 0.00 C ATOM 0 H LEU A 22 -4.160 4.212 1.402 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.119 6.659 -0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.747 5.072 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.956 5.538 2.678 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.404 7.443 0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.168 7.432 2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.938 5.818 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.237 6.196 3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.388 9.013 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.396 7.865 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.748 8.602 2.162 1.00 0.00 H new ATOM 251 N ASP A 23 -3.325 7.832 1.218 1.00 0.00 N ATOM 252 CA ASP A 23 -2.426 8.578 2.030 1.00 0.00 C ATOM 253 C ASP A 23 -3.133 9.748 2.578 1.00 0.00 C ATOM 254 O ASP A 23 -4.240 10.071 2.100 1.00 0.00 O ATOM 255 CB ASP A 23 -1.219 9.046 1.285 1.00 0.00 C ATOM 256 CG ASP A 23 -1.407 10.360 0.561 1.00 0.00 C ATOM 257 OD1 ASP A 23 -2.138 10.430 -0.437 1.00 0.00 O ATOM 258 OD2 ASP A 23 -0.822 11.346 1.015 1.00 0.00 O ATOM 0 H ASP A 23 -3.437 8.154 0.257 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.081 7.915 2.823 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.390 9.146 1.985 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.935 8.283 0.561 1.00 0.00 H new ATOM 263 N TYR A 24 -2.434 10.406 3.518 1.00 0.00 N ATOM 264 CA TYR A 24 -2.818 11.602 4.289 1.00 0.00 C ATOM 265 C TYR A 24 -3.453 12.696 3.428 1.00 0.00 C ATOM 266 O TYR A 24 -4.283 13.474 3.906 1.00 0.00 O ATOM 267 CB TYR A 24 -1.541 12.139 4.974 1.00 0.00 C ATOM 268 CG TYR A 24 -1.681 13.460 5.705 1.00 0.00 C ATOM 269 CD1 TYR A 24 -2.074 13.513 7.032 1.00 0.00 C ATOM 270 CD2 TYR A 24 -1.424 14.657 5.050 1.00 0.00 C ATOM 271 CE1 TYR A 24 -2.208 14.721 7.686 1.00 0.00 C ATOM 272 CE2 TYR A 24 -1.560 15.860 5.683 1.00 0.00 C ATOM 273 CZ TYR A 24 -1.952 15.893 7.007 1.00 0.00 C ATOM 274 OH TYR A 24 -2.109 17.111 7.647 1.00 0.00 O ATOM 0 H TYR A 24 -1.502 10.086 3.782 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.579 11.318 5.016 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -1.192 11.389 5.684 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.765 12.247 4.216 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.279 12.595 7.563 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.110 14.637 4.017 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.511 14.748 8.722 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.362 16.779 5.152 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.887 17.837 7.028 1.00 0.00 H new ATOM 284 N LEU A 25 -3.057 12.762 2.187 1.00 0.00 N ATOM 285 CA LEU A 25 -3.603 13.713 1.240 1.00 0.00 C ATOM 286 C LEU A 25 -5.012 13.311 0.796 1.00 0.00 C ATOM 287 O LEU A 25 -5.686 14.045 0.051 1.00 0.00 O ATOM 288 CB LEU A 25 -2.633 13.863 0.048 1.00 0.00 C ATOM 289 CG LEU A 25 -1.446 14.825 0.263 1.00 0.00 C ATOM 290 CD1 LEU A 25 -1.947 16.205 0.630 1.00 0.00 C ATOM 291 CD2 LEU A 25 -0.476 14.313 1.328 1.00 0.00 C ATOM 0 H LEU A 25 -2.339 12.154 1.794 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.703 14.685 1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.237 12.878 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.201 14.205 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.898 14.880 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.098 16.873 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.575 16.590 -0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.529 16.148 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.343 15.022 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.001 14.205 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.077 13.346 1.022 1.00 0.00 H new ATOM 303 N GLN A 26 -5.435 12.150 1.268 1.00 0.00 N ATOM 304 CA GLN A 26 -6.698 11.544 1.009 1.00 0.00 C ATOM 305 C GLN A 26 -6.723 11.067 -0.353 1.00 0.00 C ATOM 306 O GLN A 26 -7.634 11.362 -1.141 1.00 0.00 O ATOM 307 CB GLN A 26 -7.920 12.377 1.403 1.00 0.00 C ATOM 308 CG GLN A 26 -8.376 12.139 2.835 1.00 0.00 C ATOM 309 CD GLN A 26 -7.328 12.436 3.882 1.00 0.00 C ATOM 310 OE1 GLN A 26 -7.232 13.556 4.377 1.00 0.00 O ATOM 311 NE2 GLN A 26 -6.525 11.441 4.222 1.00 0.00 N ATOM 0 H GLN A 26 -4.853 11.580 1.882 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.792 10.692 1.682 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.687 13.434 1.274 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.742 12.147 0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.253 12.756 3.031 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.688 11.100 2.936 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.636 10.525 3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.794 11.590 4.918 1.00 0.00 H new ATOM 320 N LYS A 27 -5.692 10.343 -0.675 1.00 0.00 N ATOM 321 CA LYS A 27 -5.607 9.832 -2.010 1.00 0.00 C ATOM 322 C LYS A 27 -5.499 8.375 -2.027 1.00 0.00 C ATOM 323 O LYS A 27 -4.619 7.834 -1.402 1.00 0.00 O ATOM 324 CB LYS A 27 -4.421 10.346 -2.815 1.00 0.00 C ATOM 325 CG LYS A 27 -4.330 11.830 -3.052 1.00 0.00 C ATOM 326 CD LYS A 27 -3.238 12.131 -4.072 1.00 0.00 C ATOM 327 CE LYS A 27 -3.037 13.625 -4.297 1.00 0.00 C ATOM 328 NZ LYS A 27 -4.262 14.304 -4.765 1.00 0.00 N ATOM 0 H LYS A 27 -4.921 10.099 -0.054 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.532 10.185 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.509 10.030 -2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.434 9.851 -3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.287 12.208 -3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.115 12.343 -2.115 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.300 11.689 -3.735 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.491 11.656 -5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.704 14.086 -3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.243 13.774 -5.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.047 15.298 -4.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.615 13.831 -5.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.988 14.262 -4.022 1.00 0.00 H new ATOM 342 N TRP A 28 -6.418 7.746 -2.709 1.00 0.00 N ATOM 343 CA TRP A 28 -6.261 6.380 -3.103 1.00 0.00 C ATOM 344 C TRP A 28 -5.447 6.427 -4.332 1.00 0.00 C ATOM 345 O TRP A 28 -5.927 6.847 -5.397 1.00 0.00 O ATOM 346 CB TRP A 28 -7.584 5.709 -3.369 1.00 0.00 C ATOM 347 CG TRP A 28 -8.348 5.462 -2.139 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.364 6.193 -1.653 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.106 4.421 -1.208 1.00 0.00 C ATOM 350 NE1 TRP A 28 -9.833 5.625 -0.489 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.055 4.532 -0.192 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.184 3.398 -1.158 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -9.101 3.635 0.885 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.212 2.527 -0.110 1.00 0.00 C ATOM 355 CH2 TRP A 28 -8.160 2.637 0.902 1.00 0.00 C ATOM 0 H TRP A 28 -7.297 8.171 -3.006 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.791 5.796 -2.311 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.175 6.332 -4.041 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.411 4.763 -3.881 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.755 7.092 -2.107 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.625 5.960 0.060 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.448 3.288 -1.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.843 3.726 1.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -6.481 1.733 -0.064 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.155 1.925 1.714 1.00 0.00 H new ATOM 366 N TYR A 29 -4.220 6.120 -4.182 1.00 0.00 N ATOM 367 CA TYR A 29 -3.288 6.290 -5.223 1.00 0.00 C ATOM 368 C TYR A 29 -2.284 5.140 -5.261 1.00 0.00 C ATOM 369 O TYR A 29 -2.064 4.456 -4.227 1.00 0.00 O ATOM 370 CB TYR A 29 -2.600 7.677 -5.058 1.00 0.00 C ATOM 371 CG TYR A 29 -1.701 7.893 -3.823 1.00 0.00 C ATOM 372 CD1 TYR A 29 -1.747 7.071 -2.674 1.00 0.00 C ATOM 373 CD2 TYR A 29 -0.774 8.908 -3.847 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.893 7.281 -1.611 1.00 0.00 C ATOM 375 CE2 TYR A 29 0.084 9.108 -2.819 1.00 0.00 C ATOM 376 CZ TYR A 29 0.037 8.315 -1.709 1.00 0.00 C ATOM 377 OH TYR A 29 0.949 8.539 -0.711 1.00 0.00 O ATOM 0 H TYR A 29 -3.828 5.738 -3.321 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.800 6.270 -6.185 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.996 7.859 -5.947 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.380 8.438 -5.041 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.463 6.264 -2.627 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.729 9.561 -4.706 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.944 6.662 -0.728 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.813 9.903 -2.878 1.00 0.00 H new ATOM 0 HH TYR A 29 1.517 9.300 -0.952 1.00 0.00 H new ATOM 387 N PRO A 30 -1.685 4.887 -6.444 1.00 0.00 N ATOM 388 CA PRO A 30 -0.692 3.850 -6.612 1.00 0.00 C ATOM 389 C PRO A 30 0.508 4.087 -5.740 1.00 0.00 C ATOM 390 O PRO A 30 1.301 5.016 -5.961 1.00 0.00 O ATOM 391 CB PRO A 30 -0.287 3.934 -8.083 1.00 0.00 C ATOM 392 CG PRO A 30 -1.407 4.652 -8.738 1.00 0.00 C ATOM 393 CD PRO A 30 -1.963 5.581 -7.708 1.00 0.00 C ATOM 0 HA PRO A 30 -1.088 2.874 -6.333 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.654 4.471 -8.205 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.146 2.942 -8.513 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.059 5.203 -9.612 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.169 3.953 -9.084 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.481 6.558 -7.745 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.031 5.747 -7.850 1.00 0.00 H new ATOM 401 N SER A 31 0.596 3.304 -4.741 1.00 0.00 N ATOM 402 CA SER A 31 1.685 3.311 -3.850 1.00 0.00 C ATOM 403 C SER A 31 2.425 2.011 -4.080 1.00 0.00 C ATOM 404 O SER A 31 1.961 1.191 -4.866 1.00 0.00 O ATOM 405 CB SER A 31 1.145 3.437 -2.450 1.00 0.00 C ATOM 406 OG SER A 31 0.404 4.624 -2.332 1.00 0.00 O ATOM 0 H SER A 31 -0.117 2.612 -4.511 1.00 0.00 H new ATOM 0 HA SER A 31 2.372 4.143 -4.004 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.515 2.579 -2.215 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.965 3.437 -1.732 1.00 0.00 H new ATOM 0 HG SER A 31 -0.452 4.523 -2.798 1.00 0.00 H new ATOM 412 N ARG A 32 3.527 1.792 -3.445 1.00 0.00 N ATOM 413 CA ARG A 32 4.299 0.604 -3.759 1.00 0.00 C ATOM 414 C ARG A 32 4.405 -0.373 -2.614 1.00 0.00 C ATOM 415 O ARG A 32 4.353 0.009 -1.439 1.00 0.00 O ATOM 416 CB ARG A 32 5.688 0.975 -4.238 1.00 0.00 C ATOM 417 CG ARG A 32 5.735 1.600 -5.606 1.00 0.00 C ATOM 418 CD ARG A 32 7.133 2.065 -5.931 1.00 0.00 C ATOM 419 NE ARG A 32 7.246 2.494 -7.315 1.00 0.00 N ATOM 420 CZ ARG A 32 7.717 3.675 -7.723 1.00 0.00 C ATOM 421 NH1 ARG A 32 8.127 4.583 -6.837 1.00 0.00 N ATOM 422 NH2 ARG A 32 7.810 3.930 -9.017 1.00 0.00 N ATOM 0 H ARG A 32 3.919 2.394 -2.721 1.00 0.00 H new ATOM 0 HA ARG A 32 3.750 0.102 -4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.132 1.667 -3.522 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.308 0.078 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.403 0.878 -6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.046 2.444 -5.650 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.406 2.888 -5.271 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.839 1.257 -5.741 1.00 0.00 H new ATOM 0 HE ARG A 32 6.940 1.839 -8.034 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.082 4.378 -5.839 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.485 5.483 -7.157 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.523 3.226 -9.697 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.169 4.830 -9.335 1.00 0.00 H new ATOM 436 N ILE A 33 4.557 -1.633 -2.978 1.00 0.00 N ATOM 437 CA ILE A 33 4.788 -2.705 -2.040 1.00 0.00 C ATOM 438 C ILE A 33 6.295 -2.828 -1.870 1.00 0.00 C ATOM 439 O ILE A 33 7.008 -3.150 -2.833 1.00 0.00 O ATOM 440 CB ILE A 33 4.254 -4.062 -2.577 1.00 0.00 C ATOM 441 CG1 ILE A 33 2.809 -3.923 -3.056 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.353 -5.126 -1.488 1.00 0.00 C ATOM 443 CD1 ILE A 33 2.230 -5.176 -3.664 1.00 0.00 C ATOM 0 H ILE A 33 4.522 -1.940 -3.950 1.00 0.00 H new ATOM 0 HA ILE A 33 4.273 -2.482 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 33 4.865 -4.366 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.187 -3.622 -2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.759 -3.120 -3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.977 -6.075 -1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.394 -5.243 -1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.759 -4.821 -0.627 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.203 -4.988 -3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.824 -5.469 -4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.244 -5.978 -2.926 1.00 0.00 H new ATOM 455 N GLU A 34 6.770 -2.518 -0.699 1.00 0.00 N ATOM 456 CA GLU A 34 8.198 -2.555 -0.390 1.00 0.00 C ATOM 457 C GLU A 34 8.584 -3.869 0.286 1.00 0.00 C ATOM 458 O GLU A 34 9.690 -4.367 0.108 1.00 0.00 O ATOM 459 CB GLU A 34 8.516 -1.364 0.487 1.00 0.00 C ATOM 460 CG GLU A 34 8.465 -0.078 -0.237 1.00 0.00 C ATOM 461 CD GLU A 34 9.818 0.355 -0.706 1.00 0.00 C ATOM 462 OE1 GLU A 34 10.249 -0.030 -1.809 1.00 0.00 O ATOM 463 OE2 GLU A 34 10.469 1.132 0.029 1.00 0.00 O ATOM 0 H GLU A 34 6.185 -2.228 0.085 1.00 0.00 H new ATOM 0 HA GLU A 34 8.781 -2.501 -1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.811 -1.334 1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.509 -1.492 0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.797 -0.170 -1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.045 0.688 0.414 1.00 0.00 H new ATOM 470 N LYS A 35 7.662 -4.413 1.055 1.00 0.00 N ATOM 471 CA LYS A 35 7.802 -5.704 1.735 1.00 0.00 C ATOM 472 C LYS A 35 6.405 -6.211 1.991 1.00 0.00 C ATOM 473 O LYS A 35 5.446 -5.457 1.794 1.00 0.00 O ATOM 474 CB LYS A 35 8.551 -5.610 3.088 1.00 0.00 C ATOM 475 CG LYS A 35 10.019 -5.208 3.022 1.00 0.00 C ATOM 476 CD LYS A 35 10.687 -5.308 4.386 1.00 0.00 C ATOM 477 CE LYS A 35 10.747 -6.752 4.883 1.00 0.00 C ATOM 478 NZ LYS A 35 11.574 -7.610 4.006 1.00 0.00 N ATOM 0 H LYS A 35 6.765 -3.963 1.235 1.00 0.00 H new ATOM 0 HA LYS A 35 8.391 -6.366 1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.028 -4.892 3.719 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.484 -6.578 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.541 -5.849 2.312 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.101 -4.187 2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.697 -4.901 4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.139 -4.698 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.153 -6.770 5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.737 -7.158 4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.769 -8.511 4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.063 -7.794 3.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.471 -7.128 3.795 1.00 0.00 H new ATOM 492 N ILE A 36 6.264 -7.444 2.421 1.00 0.00 N ATOM 493 CA ILE A 36 4.943 -8.008 2.687 1.00 0.00 C ATOM 494 C ILE A 36 5.004 -8.809 3.993 1.00 0.00 C ATOM 495 O ILE A 36 6.057 -9.337 4.350 1.00 0.00 O ATOM 496 CB ILE A 36 4.463 -8.960 1.535 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.775 -8.363 0.157 1.00 0.00 C ATOM 498 CG2 ILE A 36 2.953 -9.182 1.647 1.00 0.00 C ATOM 499 CD1 ILE A 36 4.388 -9.245 -1.000 1.00 0.00 C ATOM 0 H ILE A 36 7.041 -8.081 2.596 1.00 0.00 H new ATOM 0 HA ILE A 36 4.234 -7.183 2.758 1.00 0.00 H new ATOM 0 HB ILE A 36 4.994 -9.906 1.637 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.257 -7.409 0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.843 -8.153 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.622 -9.843 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.722 -9.636 2.611 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.437 -8.225 1.564 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.642 -8.749 -1.937 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.926 -10.191 -0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.315 -9.435 -0.970 1.00 0.00 H new ATOM 511 N ASP A 37 3.904 -8.883 4.696 1.00 0.00 N ATOM 512 CA ASP A 37 3.811 -9.628 5.947 1.00 0.00 C ATOM 513 C ASP A 37 2.547 -10.463 5.869 1.00 0.00 C ATOM 514 O ASP A 37 1.735 -10.454 6.761 1.00 0.00 O ATOM 515 CB ASP A 37 3.714 -8.658 7.134 1.00 0.00 C ATOM 516 CG ASP A 37 3.995 -9.292 8.475 1.00 0.00 C ATOM 517 OD1 ASP A 37 5.176 -9.414 8.850 1.00 0.00 O ATOM 518 OD2 ASP A 37 3.050 -9.620 9.200 1.00 0.00 O ATOM 0 H ASP A 37 3.033 -8.427 4.423 1.00 0.00 H new ATOM 0 HA ASP A 37 4.692 -10.254 6.091 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.416 -7.839 6.978 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.715 -8.223 7.153 1.00 0.00 H new ATOM 523 N TYR A 38 2.408 -11.178 4.768 1.00 0.00 N ATOM 524 CA TYR A 38 1.242 -12.007 4.423 1.00 0.00 C ATOM 525 C TYR A 38 0.790 -13.004 5.473 1.00 0.00 C ATOM 526 O TYR A 38 -0.356 -13.461 5.418 1.00 0.00 O ATOM 527 CB TYR A 38 1.423 -12.728 3.084 1.00 0.00 C ATOM 528 CG TYR A 38 2.811 -13.285 2.810 1.00 0.00 C ATOM 529 CD1 TYR A 38 3.240 -14.476 3.378 1.00 0.00 C ATOM 530 CD2 TYR A 38 3.685 -12.614 1.965 1.00 0.00 C ATOM 531 CE1 TYR A 38 4.499 -14.975 3.113 1.00 0.00 C ATOM 532 CE2 TYR A 38 4.942 -13.107 1.695 1.00 0.00 C ATOM 533 CZ TYR A 38 5.345 -14.287 2.272 1.00 0.00 C ATOM 534 OH TYR A 38 6.612 -14.780 2.012 1.00 0.00 O ATOM 0 H TYR A 38 3.132 -11.206 4.050 1.00 0.00 H new ATOM 0 HA TYR A 38 0.442 -11.270 4.355 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.708 -13.549 3.036 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.167 -12.035 2.283 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.579 -15.020 4.037 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.372 -11.686 1.510 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.820 -15.902 3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.606 -12.570 1.034 1.00 0.00 H new ATOM 0 HH TYR A 38 7.079 -14.175 1.399 1.00 0.00 H new ATOM 544 N GLU A 39 1.646 -13.375 6.399 1.00 0.00 N ATOM 545 CA GLU A 39 1.225 -14.305 7.418 1.00 0.00 C ATOM 546 C GLU A 39 0.280 -13.628 8.400 1.00 0.00 C ATOM 547 O GLU A 39 -0.651 -14.244 8.936 1.00 0.00 O ATOM 548 CB GLU A 39 2.387 -15.006 8.118 1.00 0.00 C ATOM 549 CG GLU A 39 3.454 -14.111 8.748 1.00 0.00 C ATOM 550 CD GLU A 39 4.496 -13.664 7.755 1.00 0.00 C ATOM 551 OE1 GLU A 39 4.266 -12.693 7.025 1.00 0.00 O ATOM 552 OE2 GLU A 39 5.576 -14.300 7.679 1.00 0.00 O ATOM 0 H GLU A 39 2.613 -13.056 6.467 1.00 0.00 H new ATOM 0 HA GLU A 39 0.679 -15.103 6.915 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.977 -15.646 8.899 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.875 -15.659 7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.976 -13.235 9.186 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.940 -14.649 9.562 1.00 0.00 H new ATOM 559 N GLU A 40 0.506 -12.363 8.614 1.00 0.00 N ATOM 560 CA GLU A 40 -0.409 -11.552 9.392 1.00 0.00 C ATOM 561 C GLU A 40 -1.347 -10.862 8.414 1.00 0.00 C ATOM 562 O GLU A 40 -2.504 -10.573 8.703 1.00 0.00 O ATOM 563 CB GLU A 40 0.341 -10.507 10.201 1.00 0.00 C ATOM 564 CG GLU A 40 -0.553 -9.632 11.048 1.00 0.00 C ATOM 565 CD GLU A 40 -1.146 -10.338 12.238 1.00 0.00 C ATOM 566 OE1 GLU A 40 -1.833 -11.369 12.071 1.00 0.00 O ATOM 567 OE2 GLU A 40 -0.917 -9.868 13.376 1.00 0.00 O ATOM 0 H GLU A 40 1.321 -11.861 8.261 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.958 -12.181 10.092 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.060 -11.010 10.848 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.912 -9.875 9.520 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.020 -8.773 11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.361 -9.246 10.427 1.00 0.00 H new ATOM 574 N GLY A 41 -0.809 -10.615 7.268 1.00 0.00 N ATOM 575 CA GLY A 41 -1.501 -10.011 6.206 1.00 0.00 C ATOM 576 C GLY A 41 -1.264 -8.547 6.141 1.00 0.00 C ATOM 577 O GLY A 41 -2.156 -7.777 5.798 1.00 0.00 O ATOM 0 H GLY A 41 0.161 -10.841 7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.192 -10.469 5.266 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.569 -10.200 6.317 1.00 0.00 H new ATOM 581 N LYS A 42 -0.067 -8.152 6.487 1.00 0.00 N ATOM 582 CA LYS A 42 0.311 -6.773 6.373 1.00 0.00 C ATOM 583 C LYS A 42 1.154 -6.667 5.124 1.00 0.00 C ATOM 584 O LYS A 42 1.505 -7.686 4.517 1.00 0.00 O ATOM 585 CB LYS A 42 1.210 -6.310 7.543 1.00 0.00 C ATOM 586 CG LYS A 42 0.893 -6.853 8.923 1.00 0.00 C ATOM 587 CD LYS A 42 1.788 -6.183 9.968 1.00 0.00 C ATOM 588 CE LYS A 42 1.748 -6.894 11.315 1.00 0.00 C ATOM 589 NZ LYS A 42 2.553 -8.144 11.331 1.00 0.00 N ATOM 0 H LYS A 42 0.661 -8.767 6.850 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.592 -6.163 6.363 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.239 -6.578 7.304 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.167 -5.222 7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.155 -6.673 9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.044 -7.932 8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.815 -6.162 9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.475 -5.147 10.099 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.117 -6.220 12.088 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.714 -7.130 11.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.052 -8.873 11.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.694 -8.479 10.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.477 -7.956 11.770 1.00 0.00 H new ATOM 603 N MET A 43 1.461 -5.489 4.735 1.00 0.00 N ATOM 604 CA MET A 43 2.439 -5.266 3.723 1.00 0.00 C ATOM 605 C MET A 43 3.058 -3.935 4.012 1.00 0.00 C ATOM 606 O MET A 43 2.455 -3.103 4.736 1.00 0.00 O ATOM 607 CB MET A 43 1.879 -5.327 2.273 1.00 0.00 C ATOM 608 CG MET A 43 1.218 -4.056 1.740 1.00 0.00 C ATOM 609 SD MET A 43 -0.221 -3.514 2.670 1.00 0.00 S ATOM 610 CE MET A 43 -1.290 -4.923 2.460 1.00 0.00 C ATOM 0 H MET A 43 1.041 -4.638 5.109 1.00 0.00 H new ATOM 0 HA MET A 43 3.173 -6.071 3.756 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.697 -5.592 1.603 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.151 -6.136 2.223 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.955 -3.253 1.736 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.923 -4.223 0.704 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.310 -4.583 2.284 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.952 -5.513 1.608 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.263 -5.537 3.360 1.00 0.00 H new ATOM 620 N LEU A 44 4.237 -3.737 3.523 1.00 0.00 N ATOM 621 CA LEU A 44 4.911 -2.510 3.724 1.00 0.00 C ATOM 622 C LEU A 44 4.517 -1.615 2.581 1.00 0.00 C ATOM 623 O LEU A 44 4.983 -1.789 1.435 1.00 0.00 O ATOM 624 CB LEU A 44 6.444 -2.722 3.775 1.00 0.00 C ATOM 625 CG LEU A 44 7.310 -1.603 4.414 1.00 0.00 C ATOM 626 CD1 LEU A 44 8.771 -2.000 4.427 1.00 0.00 C ATOM 627 CD2 LEU A 44 7.154 -0.274 3.714 1.00 0.00 C ATOM 0 H LEU A 44 4.755 -4.424 2.974 1.00 0.00 H new ATOM 0 HA LEU A 44 4.635 -2.061 4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.636 -3.646 4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.795 -2.875 2.754 1.00 0.00 H new ATOM 0 HG LEU A 44 6.952 -1.482 5.436 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.361 -1.202 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.894 -2.915 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.111 -2.169 3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.782 0.471 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.455 -0.374 2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.112 0.042 3.762 1.00 0.00 H new ATOM 639 N VAL A 45 3.637 -0.725 2.875 1.00 0.00 N ATOM 640 CA VAL A 45 3.172 0.221 1.949 1.00 0.00 C ATOM 641 C VAL A 45 4.091 1.424 1.946 1.00 0.00 C ATOM 642 O VAL A 45 4.439 2.011 3.014 1.00 0.00 O ATOM 643 CB VAL A 45 1.676 0.632 2.193 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.434 1.062 3.618 1.00 0.00 C ATOM 645 CG2 VAL A 45 1.259 1.752 1.257 1.00 0.00 C ATOM 0 H VAL A 45 3.213 -0.640 3.799 1.00 0.00 H new ATOM 0 HA VAL A 45 3.189 -0.242 0.963 1.00 0.00 H new ATOM 0 HB VAL A 45 1.074 -0.254 1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.387 1.337 3.742 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.675 0.240 4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.065 1.920 3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.219 2.017 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.892 2.623 1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.366 1.422 0.224 1.00 0.00 H new ATOM 655 N HIS A 46 4.560 1.722 0.785 1.00 0.00 N ATOM 656 CA HIS A 46 5.351 2.861 0.564 1.00 0.00 C ATOM 657 C HIS A 46 4.488 3.854 -0.151 1.00 0.00 C ATOM 658 O HIS A 46 4.254 3.730 -1.369 1.00 0.00 O ATOM 659 CB HIS A 46 6.582 2.491 -0.262 1.00 0.00 C ATOM 660 CG HIS A 46 7.618 3.565 -0.459 1.00 0.00 C ATOM 661 ND1 HIS A 46 8.939 3.347 -0.193 1.00 0.00 N ATOM 662 CD2 HIS A 46 7.545 4.831 -0.938 1.00 0.00 C ATOM 663 CE1 HIS A 46 9.630 4.400 -0.480 1.00 0.00 C ATOM 664 NE2 HIS A 46 8.820 5.327 -0.939 1.00 0.00 N ATOM 0 H HIS A 46 4.395 1.161 -0.051 1.00 0.00 H new ATOM 0 HA HIS A 46 5.714 3.285 1.500 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.065 1.637 0.213 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.245 2.161 -1.244 1.00 0.00 H new ATOM 0 HD1 HIS A 46 9.324 2.479 0.178 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.652 5.348 -1.257 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.699 4.502 -0.362 1.00 0.00 H new ATOM 673 N PHE A 47 3.939 4.759 0.616 1.00 0.00 N ATOM 674 CA PHE A 47 3.093 5.817 0.105 1.00 0.00 C ATOM 675 C PHE A 47 3.937 6.728 -0.769 1.00 0.00 C ATOM 676 O PHE A 47 5.148 6.872 -0.523 1.00 0.00 O ATOM 677 CB PHE A 47 2.471 6.614 1.269 1.00 0.00 C ATOM 678 CG PHE A 47 1.530 5.845 2.145 1.00 0.00 C ATOM 679 CD1 PHE A 47 1.997 5.085 3.198 1.00 0.00 C ATOM 680 CD2 PHE A 47 0.170 5.920 1.933 1.00 0.00 C ATOM 681 CE1 PHE A 47 1.121 4.413 4.019 1.00 0.00 C ATOM 682 CE2 PHE A 47 -0.710 5.245 2.747 1.00 0.00 C ATOM 683 CZ PHE A 47 -0.233 4.490 3.791 1.00 0.00 C ATOM 0 H PHE A 47 4.066 4.786 1.628 1.00 0.00 H new ATOM 0 HA PHE A 47 2.280 5.391 -0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.277 7.008 1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.938 7.471 0.856 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.060 5.017 3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.210 6.517 1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.497 3.825 4.843 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.773 5.308 2.566 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.920 3.958 4.432 1.00 0.00 H new ATOM 693 N GLU A 48 3.334 7.332 -1.762 1.00 0.00 N ATOM 694 CA GLU A 48 4.075 8.160 -2.684 1.00 0.00 C ATOM 695 C GLU A 48 4.328 9.531 -2.083 1.00 0.00 C ATOM 696 O GLU A 48 3.573 10.476 -2.313 1.00 0.00 O ATOM 697 CB GLU A 48 3.391 8.282 -4.048 1.00 0.00 C ATOM 698 CG GLU A 48 4.253 8.982 -5.088 1.00 0.00 C ATOM 699 CD GLU A 48 3.548 9.187 -6.390 1.00 0.00 C ATOM 700 OE1 GLU A 48 3.371 8.213 -7.154 1.00 0.00 O ATOM 701 OE2 GLU A 48 3.173 10.331 -6.700 1.00 0.00 O ATOM 0 H GLU A 48 2.334 7.267 -1.954 1.00 0.00 H new ATOM 0 HA GLU A 48 5.031 7.667 -2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.134 7.286 -4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.456 8.830 -3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.571 9.949 -4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.155 8.395 -5.258 1.00 0.00 H new ATOM 708 N ARG A 49 5.364 9.583 -1.272 1.00 0.00 N ATOM 709 CA ARG A 49 5.823 10.762 -0.578 1.00 0.00 C ATOM 710 C ARG A 49 4.700 11.443 0.221 1.00 0.00 C ATOM 711 O ARG A 49 4.062 12.394 -0.241 1.00 0.00 O ATOM 712 CB ARG A 49 6.534 11.746 -1.511 1.00 0.00 C ATOM 713 CG ARG A 49 7.151 12.904 -0.772 1.00 0.00 C ATOM 714 CD ARG A 49 7.815 13.883 -1.696 1.00 0.00 C ATOM 715 NE ARG A 49 8.398 14.993 -0.946 1.00 0.00 N ATOM 716 CZ ARG A 49 9.063 16.015 -1.483 1.00 0.00 C ATOM 717 NH1 ARG A 49 9.191 16.106 -2.813 1.00 0.00 N ATOM 718 NH2 ARG A 49 9.601 16.943 -0.696 1.00 0.00 N ATOM 0 H ARG A 49 5.935 8.762 -1.071 1.00 0.00 H new ATOM 0 HA ARG A 49 6.564 10.421 0.145 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.310 11.219 -2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.822 12.126 -2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.380 13.417 -0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.884 12.527 -0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.592 13.378 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.087 14.265 -2.412 1.00 0.00 H new ATOM 0 HE ARG A 49 8.287 14.985 0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.779 15.393 -3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.700 16.888 -3.224 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.504 16.871 0.317 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.110 17.726 -1.105 1.00 0.00 H new ATOM 732 N TRP A 50 4.437 10.943 1.397 1.00 0.00 N ATOM 733 CA TRP A 50 3.369 11.490 2.199 1.00 0.00 C ATOM 734 C TRP A 50 3.913 12.028 3.516 1.00 0.00 C ATOM 735 O TRP A 50 3.147 12.273 4.467 1.00 0.00 O ATOM 736 CB TRP A 50 2.285 10.415 2.442 1.00 0.00 C ATOM 737 CG TRP A 50 2.605 9.346 3.482 1.00 0.00 C ATOM 738 CD1 TRP A 50 3.768 8.636 3.685 1.00 0.00 C ATOM 739 CD2 TRP A 50 1.690 8.850 4.438 1.00 0.00 C ATOM 740 NE1 TRP A 50 3.625 7.802 4.747 1.00 0.00 N ATOM 741 CE2 TRP A 50 2.359 7.897 5.220 1.00 0.00 C ATOM 742 CE3 TRP A 50 0.374 9.136 4.716 1.00 0.00 C ATOM 743 CZ2 TRP A 50 1.741 7.231 6.263 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -0.242 8.478 5.734 1.00 0.00 C ATOM 745 CH2 TRP A 50 0.437 7.534 6.503 1.00 0.00 C ATOM 0 H TRP A 50 4.941 10.164 1.822 1.00 0.00 H new ATOM 0 HA TRP A 50 2.913 12.321 1.662 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.367 10.919 2.743 1.00 0.00 H new ATOM 0 HB3 TRP A 50 2.080 9.918 1.494 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.663 8.729 3.087 1.00 0.00 H new ATOM 0 HE1 TRP A 50 4.355 7.200 5.128 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.162 9.872 4.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 2.270 6.503 6.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.278 8.691 5.951 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.083 7.033 7.306 1.00 0.00 H new ATOM 756 N SER A 51 5.245 12.229 3.556 1.00 0.00 N ATOM 757 CA SER A 51 5.959 12.665 4.756 1.00 0.00 C ATOM 758 C SER A 51 5.816 11.547 5.807 1.00 0.00 C ATOM 759 O SER A 51 5.545 10.406 5.434 1.00 0.00 O ATOM 760 CB SER A 51 5.386 14.027 5.248 1.00 0.00 C ATOM 761 OG SER A 51 6.146 14.598 6.309 1.00 0.00 O ATOM 0 H SER A 51 5.852 12.091 2.748 1.00 0.00 H new ATOM 0 HA SER A 51 7.018 12.831 4.558 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.356 14.726 4.412 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.358 13.884 5.581 1.00 0.00 H new ATOM 0 HG SER A 51 5.744 15.451 6.577 1.00 0.00 H new ATOM 767 N HIS A 52 6.016 11.860 7.085 1.00 0.00 N ATOM 768 CA HIS A 52 5.867 10.904 8.206 1.00 0.00 C ATOM 769 C HIS A 52 6.977 9.850 8.163 1.00 0.00 C ATOM 770 O HIS A 52 7.984 9.968 8.858 1.00 0.00 O ATOM 771 CB HIS A 52 4.459 10.226 8.219 1.00 0.00 C ATOM 772 CG HIS A 52 3.307 11.191 8.255 1.00 0.00 C ATOM 773 ND1 HIS A 52 2.614 11.584 7.128 1.00 0.00 N ATOM 774 CD2 HIS A 52 2.739 11.853 9.279 1.00 0.00 C ATOM 775 CE1 HIS A 52 1.677 12.439 7.465 1.00 0.00 C ATOM 776 NE2 HIS A 52 1.728 12.625 8.758 1.00 0.00 N ATOM 0 H HIS A 52 6.290 12.795 7.387 1.00 0.00 H new ATOM 0 HA HIS A 52 5.957 11.472 9.132 1.00 0.00 H new ATOM 0 HB2 HIS A 52 4.363 9.597 7.334 1.00 0.00 H new ATOM 0 HB3 HIS A 52 4.394 9.568 9.086 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.801 11.260 6.179 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.025 11.790 10.319 1.00 0.00 H new ATOM 0 HE1 HIS A 52 0.980 12.910 6.787 1.00 0.00 H new ATOM 785 N ARG A 53 6.798 8.872 7.317 1.00 0.00 N ATOM 786 CA ARG A 53 7.731 7.805 7.079 1.00 0.00 C ATOM 787 C ARG A 53 7.259 7.094 5.843 1.00 0.00 C ATOM 788 O ARG A 53 6.056 6.977 5.623 1.00 0.00 O ATOM 789 CB ARG A 53 7.864 6.848 8.280 1.00 0.00 C ATOM 790 CG ARG A 53 6.599 6.117 8.695 1.00 0.00 C ATOM 791 CD ARG A 53 6.879 5.271 9.913 1.00 0.00 C ATOM 792 NE ARG A 53 5.736 4.462 10.325 1.00 0.00 N ATOM 793 CZ ARG A 53 5.732 3.656 11.390 1.00 0.00 C ATOM 794 NH1 ARG A 53 6.700 3.729 12.302 1.00 0.00 N ATOM 795 NH2 ARG A 53 4.733 2.828 11.562 1.00 0.00 N ATOM 0 H ARG A 53 5.956 8.794 6.747 1.00 0.00 H new ATOM 0 HA ARG A 53 8.734 8.207 6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.627 6.106 8.045 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.227 7.419 9.135 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.807 6.834 8.912 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.245 5.489 7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.724 4.615 9.706 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.174 5.919 10.738 1.00 0.00 H new ATOM 0 HE ARG A 53 4.886 4.516 9.764 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.455 4.406 12.191 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.686 3.108 13.111 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.969 2.803 10.887 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.719 2.207 12.371 1.00 0.00 H new ATOM 809 N TYR A 54 8.161 6.642 5.036 1.00 0.00 N ATOM 810 CA TYR A 54 7.799 6.084 3.750 1.00 0.00 C ATOM 811 C TYR A 54 7.732 4.593 3.788 1.00 0.00 C ATOM 812 O TYR A 54 7.403 3.945 2.795 1.00 0.00 O ATOM 813 CB TYR A 54 8.735 6.596 2.670 1.00 0.00 C ATOM 814 CG TYR A 54 8.689 8.087 2.605 1.00 0.00 C ATOM 815 CD1 TYR A 54 7.563 8.724 2.137 1.00 0.00 C ATOM 816 CD2 TYR A 54 9.741 8.866 3.063 1.00 0.00 C ATOM 817 CE1 TYR A 54 7.482 10.083 2.113 1.00 0.00 C ATOM 818 CE2 TYR A 54 9.657 10.240 3.048 1.00 0.00 C ATOM 819 CZ TYR A 54 8.518 10.838 2.568 1.00 0.00 C ATOM 820 OH TYR A 54 8.412 12.204 2.542 1.00 0.00 O ATOM 0 H TYR A 54 9.162 6.643 5.234 1.00 0.00 H new ATOM 0 HA TYR A 54 6.793 6.422 3.502 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.753 6.266 2.876 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.452 6.175 1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.729 8.136 1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.636 8.390 3.435 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.593 10.563 1.732 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.478 10.841 3.410 1.00 0.00 H new ATOM 0 HH TYR A 54 9.232 12.603 2.901 1.00 0.00 H new ATOM 830 N ASP A 55 8.041 4.053 4.924 1.00 0.00 N ATOM 831 CA ASP A 55 7.912 2.656 5.142 1.00 0.00 C ATOM 832 C ASP A 55 6.869 2.435 6.220 1.00 0.00 C ATOM 833 O ASP A 55 7.119 2.626 7.417 1.00 0.00 O ATOM 834 CB ASP A 55 9.278 1.954 5.451 1.00 0.00 C ATOM 835 CG ASP A 55 9.938 2.339 6.764 1.00 0.00 C ATOM 836 OD1 ASP A 55 10.386 3.501 6.917 1.00 0.00 O ATOM 837 OD2 ASP A 55 10.046 1.481 7.671 1.00 0.00 O ATOM 0 H ASP A 55 8.391 4.575 5.727 1.00 0.00 H new ATOM 0 HA ASP A 55 7.576 2.180 4.221 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.119 0.876 5.449 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.971 2.176 4.639 1.00 0.00 H new ATOM 842 N GLU A 56 5.666 2.137 5.796 1.00 0.00 N ATOM 843 CA GLU A 56 4.590 1.944 6.722 1.00 0.00 C ATOM 844 C GLU A 56 3.961 0.563 6.486 1.00 0.00 C ATOM 845 O GLU A 56 3.988 0.069 5.388 1.00 0.00 O ATOM 846 CB GLU A 56 3.580 3.116 6.575 1.00 0.00 C ATOM 847 CG GLU A 56 2.388 3.045 7.511 1.00 0.00 C ATOM 848 CD GLU A 56 2.811 3.073 8.962 1.00 0.00 C ATOM 849 OE1 GLU A 56 2.988 4.167 9.521 1.00 0.00 O ATOM 850 OE2 GLU A 56 2.980 1.999 9.577 1.00 0.00 O ATOM 0 H GLU A 56 5.412 2.024 4.815 1.00 0.00 H new ATOM 0 HA GLU A 56 4.945 1.956 7.752 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.106 4.055 6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.217 3.139 5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.719 3.882 7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.825 2.133 7.314 1.00 0.00 H new ATOM 857 N TRP A 57 3.443 -0.065 7.514 1.00 0.00 N ATOM 858 CA TRP A 57 2.861 -1.399 7.368 1.00 0.00 C ATOM 859 C TRP A 57 1.404 -1.368 7.666 1.00 0.00 C ATOM 860 O TRP A 57 0.990 -0.946 8.761 1.00 0.00 O ATOM 861 CB TRP A 57 3.509 -2.430 8.289 1.00 0.00 C ATOM 862 CG TRP A 57 4.943 -2.727 8.002 1.00 0.00 C ATOM 863 CD1 TRP A 57 6.011 -1.948 8.313 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.477 -3.897 7.370 1.00 0.00 C ATOM 865 NE1 TRP A 57 7.166 -2.549 7.906 1.00 0.00 N ATOM 866 CE2 TRP A 57 6.872 -3.744 7.330 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.915 -5.055 6.830 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.713 -4.702 6.778 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.755 -6.001 6.281 1.00 0.00 C ATOM 870 CH2 TRP A 57 7.136 -5.820 6.260 1.00 0.00 C ATOM 0 H TRP A 57 3.407 0.314 8.460 1.00 0.00 H new ATOM 0 HA TRP A 57 3.041 -1.694 6.334 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.426 -2.078 9.317 1.00 0.00 H new ATOM 0 HB3 TRP A 57 2.942 -3.359 8.224 1.00 0.00 H new ATOM 0 HD1 TRP A 57 5.954 -0.991 8.811 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.103 -2.162 8.017 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.846 -5.207 6.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.784 -4.565 6.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.333 -6.901 5.858 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.762 -6.584 5.823 1.00 0.00 H new ATOM 881 N ILE A 58 0.617 -1.813 6.734 1.00 0.00 N ATOM 882 CA ILE A 58 -0.819 -1.849 6.907 1.00 0.00 C ATOM 883 C ILE A 58 -1.313 -3.214 6.403 1.00 0.00 C ATOM 884 O ILE A 58 -0.565 -3.921 5.757 1.00 0.00 O ATOM 885 CB ILE A 58 -1.530 -0.649 6.164 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.890 0.694 6.571 1.00 0.00 C ATOM 887 CG2 ILE A 58 -3.025 -0.602 6.484 1.00 0.00 C ATOM 888 CD1 ILE A 58 -1.476 1.905 5.885 1.00 0.00 C ATOM 0 H ILE A 58 0.942 -2.162 5.832 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.073 -1.730 7.960 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.402 -0.810 5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.993 0.818 7.649 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.178 0.652 6.356 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.484 0.235 5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.495 -1.533 6.166 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.163 -0.474 7.558 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.965 2.803 6.232 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.349 1.809 4.807 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.538 1.978 6.120 1.00 0.00 H new ATOM 900 N TYR A 59 -2.519 -3.582 6.741 1.00 0.00 N ATOM 901 CA TYR A 59 -3.092 -4.874 6.375 1.00 0.00 C ATOM 902 C TYR A 59 -3.888 -4.745 5.085 1.00 0.00 C ATOM 903 O TYR A 59 -4.147 -3.616 4.624 1.00 0.00 O ATOM 904 CB TYR A 59 -4.028 -5.375 7.485 1.00 0.00 C ATOM 905 CG TYR A 59 -3.394 -5.480 8.846 1.00 0.00 C ATOM 906 CD1 TYR A 59 -3.250 -4.359 9.654 1.00 0.00 C ATOM 907 CD2 TYR A 59 -2.942 -6.692 9.327 1.00 0.00 C ATOM 908 CE1 TYR A 59 -2.671 -4.447 10.893 1.00 0.00 C ATOM 909 CE2 TYR A 59 -2.363 -6.784 10.569 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.230 -5.662 11.344 1.00 0.00 C ATOM 911 OH TYR A 59 -1.641 -5.756 12.574 1.00 0.00 O ATOM 0 H TYR A 59 -3.150 -2.994 7.286 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.276 -5.583 6.237 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.884 -4.703 7.549 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.412 -6.355 7.202 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.601 -3.401 9.299 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.045 -7.579 8.719 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.564 -3.566 11.508 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.013 -7.738 10.934 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.386 -6.687 12.744 1.00 0.00 H new ATOM 921 N TRP A 60 -4.286 -5.894 4.516 1.00 0.00 N ATOM 922 CA TRP A 60 -5.071 -5.957 3.269 1.00 0.00 C ATOM 923 C TRP A 60 -6.313 -5.061 3.372 1.00 0.00 C ATOM 924 O TRP A 60 -7.237 -5.368 4.126 1.00 0.00 O ATOM 925 CB TRP A 60 -5.564 -7.389 2.980 1.00 0.00 C ATOM 926 CG TRP A 60 -4.554 -8.489 3.121 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.609 -9.511 4.021 1.00 0.00 C ATOM 928 CD2 TRP A 60 -3.351 -8.691 2.359 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.536 -10.338 3.864 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.738 -9.854 2.860 1.00 0.00 C ATOM 931 CE3 TRP A 60 -2.733 -8.006 1.311 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -1.541 -10.348 2.352 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -1.542 -8.498 0.806 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.958 -9.658 1.329 1.00 0.00 C ATOM 0 H TRP A 60 -4.072 -6.811 4.909 1.00 0.00 H new ATOM 0 HA TRP A 60 -4.412 -5.623 2.468 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -6.397 -7.604 3.649 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -5.957 -7.415 1.963 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.391 -9.647 4.754 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.356 -11.182 4.407 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.176 -7.110 0.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.090 -11.244 2.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.055 -7.978 -0.006 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -0.027 -10.014 0.914 1.00 0.00 H new ATOM 945 N ASP A 61 -6.287 -3.940 2.648 1.00 0.00 N ATOM 946 CA ASP A 61 -7.387 -2.933 2.579 1.00 0.00 C ATOM 947 C ASP A 61 -7.924 -2.443 3.899 1.00 0.00 C ATOM 948 O ASP A 61 -9.045 -1.943 3.982 1.00 0.00 O ATOM 949 CB ASP A 61 -8.527 -3.248 1.575 1.00 0.00 C ATOM 950 CG ASP A 61 -9.222 -4.574 1.744 1.00 0.00 C ATOM 951 OD1 ASP A 61 -8.717 -5.592 1.247 1.00 0.00 O ATOM 952 OD2 ASP A 61 -10.321 -4.623 2.354 1.00 0.00 O ATOM 0 H ASP A 61 -5.485 -3.686 2.072 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.844 -2.087 2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.275 -2.459 1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.116 -3.204 0.567 1.00 0.00 H new ATOM 957 N SER A 62 -7.105 -2.495 4.903 1.00 0.00 N ATOM 958 CA SER A 62 -7.471 -1.990 6.178 1.00 0.00 C ATOM 959 C SER A 62 -7.250 -0.472 6.210 1.00 0.00 C ATOM 960 O SER A 62 -6.121 -0.009 6.290 1.00 0.00 O ATOM 961 CB SER A 62 -6.663 -2.703 7.248 1.00 0.00 C ATOM 962 OG SER A 62 -6.865 -4.110 7.152 1.00 0.00 O ATOM 0 H SER A 62 -6.166 -2.890 4.856 1.00 0.00 H new ATOM 0 HA SER A 62 -8.527 -2.176 6.373 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.604 -2.470 7.132 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.961 -2.351 8.236 1.00 0.00 H new ATOM 0 HG SER A 62 -6.932 -4.493 8.052 1.00 0.00 H new ATOM 968 N ASN A 63 -8.342 0.264 6.016 1.00 0.00 N ATOM 969 CA ASN A 63 -8.454 1.754 6.022 1.00 0.00 C ATOM 970 C ASN A 63 -7.656 2.494 4.936 1.00 0.00 C ATOM 971 O ASN A 63 -8.147 3.481 4.377 1.00 0.00 O ATOM 972 CB ASN A 63 -8.263 2.434 7.427 1.00 0.00 C ATOM 973 CG ASN A 63 -6.838 2.455 7.979 1.00 0.00 C ATOM 974 OD1 ASN A 63 -6.062 3.365 7.682 1.00 0.00 O ATOM 975 ND2 ASN A 63 -6.508 1.517 8.832 1.00 0.00 N ATOM 0 H ASN A 63 -9.244 -0.178 5.837 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.503 1.876 5.753 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.620 3.462 7.361 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.901 1.920 8.146 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.587 1.527 9.270 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.172 0.777 9.058 1.00 0.00 H new ATOM 982 N ARG A 64 -6.459 2.050 4.634 1.00 0.00 N ATOM 983 CA ARG A 64 -5.603 2.750 3.688 1.00 0.00 C ATOM 984 C ARG A 64 -5.021 1.897 2.615 1.00 0.00 C ATOM 985 O ARG A 64 -4.121 2.327 1.933 1.00 0.00 O ATOM 986 CB ARG A 64 -4.503 3.465 4.410 1.00 0.00 C ATOM 987 CG ARG A 64 -4.906 4.808 4.871 1.00 0.00 C ATOM 988 CD ARG A 64 -3.848 5.393 5.784 1.00 0.00 C ATOM 989 NE ARG A 64 -3.722 4.592 7.017 1.00 0.00 N ATOM 990 CZ ARG A 64 -2.714 4.640 7.900 1.00 0.00 C ATOM 991 NH1 ARG A 64 -1.740 5.519 7.765 1.00 0.00 N ATOM 992 NH2 ARG A 64 -2.709 3.811 8.933 1.00 0.00 N ATOM 0 H ARG A 64 -6.049 1.204 5.028 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.262 3.457 3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.189 2.870 5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.639 3.555 3.751 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.058 5.463 4.013 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.858 4.748 5.399 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.890 5.424 5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.107 6.421 6.037 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.477 3.936 7.218 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.748 6.173 6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.979 5.545 8.444 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -3.469 3.141 9.053 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.945 3.842 9.608 1.00 0.00 H new ATOM 1006 N LEU A 65 -5.523 0.726 2.443 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.033 -0.130 1.390 1.00 0.00 C ATOM 1008 C LEU A 65 -6.168 -0.601 0.532 1.00 0.00 C ATOM 1009 O LEU A 65 -7.329 -0.496 0.932 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.193 -1.311 1.927 1.00 0.00 C ATOM 1011 CG LEU A 65 -2.667 -1.128 1.922 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.176 -0.773 0.538 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -2.218 -0.090 2.912 1.00 0.00 C ATOM 0 H LEU A 65 -6.272 0.328 3.010 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.357 0.462 0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.508 -1.516 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.432 -2.195 1.337 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.231 -2.081 2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.093 -0.648 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.437 -1.571 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.643 0.157 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.133 0.005 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.675 0.869 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.520 -0.390 3.916 1.00 0.00 H new ATOM 1025 N ARG A 66 -5.859 -1.037 -0.656 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.835 -1.573 -1.557 1.00 0.00 C ATOM 1027 C ARG A 66 -6.116 -2.537 -2.520 1.00 0.00 C ATOM 1028 O ARG A 66 -5.047 -2.179 -3.134 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.594 -0.415 -2.274 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.906 -0.798 -2.964 1.00 0.00 C ATOM 1031 CD ARG A 66 -8.729 -1.384 -4.350 1.00 0.00 C ATOM 1032 NE ARG A 66 -8.286 -0.379 -5.332 1.00 0.00 N ATOM 1033 CZ ARG A 66 -8.891 -0.159 -6.516 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -9.990 -0.842 -6.845 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -8.411 0.752 -7.351 1.00 0.00 N ATOM 0 H ARG A 66 -4.910 -1.029 -1.029 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.601 -2.142 -1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.806 0.363 -1.540 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.929 0.022 -3.019 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.434 -1.520 -2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.539 0.087 -3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.000 -2.194 -4.309 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.672 -1.820 -4.680 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.469 0.186 -5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.374 -1.532 -6.200 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.446 -0.673 -7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.581 1.289 -7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -8.871 0.916 -8.246 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.637 -3.788 -2.601 1.00 0.00 N ATOM 1050 CA PRO A 67 -6.062 -4.870 -3.404 1.00 0.00 C ATOM 1051 C PRO A 67 -6.393 -4.757 -4.889 1.00 0.00 C ATOM 1052 O PRO A 67 -6.973 -3.768 -5.338 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.707 -6.122 -2.806 1.00 0.00 C ATOM 1054 CG PRO A 67 -8.042 -5.667 -2.347 1.00 0.00 C ATOM 1055 CD PRO A 67 -7.863 -4.245 -1.889 1.00 0.00 C ATOM 0 HA PRO A 67 -4.973 -4.864 -3.368 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.791 -6.918 -3.546 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.116 -6.517 -1.980 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.773 -5.728 -3.153 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.410 -6.295 -1.535 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.726 -3.631 -2.147 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.742 -4.186 -0.807 1.00 0.00 H new ATOM 1063 N LEU A 68 -6.008 -5.756 -5.644 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.257 -5.777 -7.066 1.00 0.00 C ATOM 1065 C LEU A 68 -7.671 -6.159 -7.372 1.00 0.00 C ATOM 1066 O LEU A 68 -8.402 -6.692 -6.528 1.00 0.00 O ATOM 1067 CB LEU A 68 -5.330 -6.753 -7.788 1.00 0.00 C ATOM 1068 CG LEU A 68 -3.930 -6.282 -8.154 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -3.170 -7.423 -8.802 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -4.007 -5.109 -9.118 1.00 0.00 C ATOM 0 H LEU A 68 -5.514 -6.576 -5.292 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.066 -4.764 -7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.229 -7.640 -7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.827 -7.065 -8.707 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.413 -5.962 -7.249 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.167 -7.089 -9.065 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.103 -8.258 -8.105 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.694 -7.744 -9.703 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.999 -4.781 -9.373 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.528 -5.417 -10.024 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.549 -4.288 -8.649 1.00 0.00 H new ATOM 1082 N GLU A 69 -8.028 -5.937 -8.588 1.00 0.00 N ATOM 1083 CA GLU A 69 -9.312 -6.279 -9.135 1.00 0.00 C ATOM 1084 C GLU A 69 -9.282 -7.712 -9.651 1.00 0.00 C ATOM 1085 O GLU A 69 -9.838 -8.027 -10.703 1.00 0.00 O ATOM 1086 CB GLU A 69 -9.605 -5.307 -10.254 1.00 0.00 C ATOM 1087 CG GLU A 69 -8.483 -5.178 -11.265 1.00 0.00 C ATOM 1088 CD GLU A 69 -8.767 -4.084 -12.238 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -9.548 -4.302 -13.188 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -8.252 -2.969 -12.049 1.00 0.00 O ATOM 0 H GLU A 69 -7.411 -5.492 -9.267 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.093 -6.215 -8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.511 -5.625 -10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.809 -4.326 -9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.544 -4.977 -10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.358 -6.121 -11.798 1.00 0.00 H new ATOM 1097 N ARG A 70 -8.664 -8.567 -8.875 1.00 0.00 N ATOM 1098 CA ARG A 70 -8.489 -9.943 -9.225 1.00 0.00 C ATOM 1099 C ARG A 70 -9.792 -10.722 -9.327 1.00 0.00 C ATOM 1100 O ARG A 70 -10.539 -10.830 -8.372 1.00 0.00 O ATOM 1101 CB ARG A 70 -7.396 -10.640 -8.366 1.00 0.00 C ATOM 1102 CG ARG A 70 -7.234 -10.209 -6.879 1.00 0.00 C ATOM 1103 CD ARG A 70 -8.301 -10.718 -5.900 1.00 0.00 C ATOM 1104 NE ARG A 70 -9.608 -10.064 -6.027 1.00 0.00 N ATOM 1105 CZ ARG A 70 -10.251 -9.434 -5.033 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -9.660 -9.255 -3.861 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -11.490 -9.001 -5.211 1.00 0.00 N ATOM 0 H ARG A 70 -8.265 -8.317 -7.970 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.104 -9.945 -10.245 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.596 -11.711 -8.381 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.437 -10.488 -8.862 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.259 -10.549 -6.529 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.225 -9.120 -6.838 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.430 -11.790 -6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.937 -10.579 -4.882 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.062 -10.090 -6.940 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.711 -9.597 -3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.154 -8.775 -3.109 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.957 -9.146 -6.106 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.977 -8.522 -4.453 1.00 0.00 H new TER 1121 ARG A 70