USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=12 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= -0.133 K(o=-0.13,f=-1.5) USER MOD Single : A 12 THR OG1 : rot 10:sc= 0.182 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.296 X(o=-0.3,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot -37:sc= 0.663 USER MOD Single : A 31 SER OG : rot 69:sc= 0.319 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl -133:sc= -0.416 (180deg=-2.65!) USER MOD Single : A 46 HIS : no HE2:sc= 0.971 K(o=0.97,f=-5.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS :FLIP no HD1:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -94:sc= 0.104 USER MOD Single : A 63 ASN : amide:sc= 0.875 K(o=0.88,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 -3.060 -0.419 -15.062 1.00 0.00 N ATOM 2 CA ASN A 7 -4.454 -0.492 -14.687 1.00 0.00 C ATOM 3 C ASN A 7 -4.532 0.383 -13.443 1.00 0.00 C ATOM 4 O ASN A 7 -3.623 1.206 -13.227 1.00 0.00 O ATOM 5 CB ASN A 7 -4.776 -1.953 -14.294 1.00 0.00 C ATOM 6 CG ASN A 7 -6.257 -2.235 -14.089 1.00 0.00 C ATOM 7 OD1 ASN A 7 -7.098 -1.759 -14.836 1.00 0.00 O ATOM 8 ND2 ASN A 7 -6.577 -2.894 -13.010 1.00 0.00 N ATOM 0 HA ASN A 7 -5.139 -0.182 -15.476 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.396 -2.618 -15.070 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.241 -2.196 -13.376 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.558 -3.026 -12.766 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -5.846 -3.277 -12.411 1.00 0.00 H new ATOM 15 N ARG A 8 -5.581 0.285 -12.662 1.00 0.00 N ATOM 16 CA ARG A 8 -5.545 0.861 -11.346 1.00 0.00 C ATOM 17 C ARG A 8 -4.672 -0.046 -10.478 1.00 0.00 C ATOM 18 O ARG A 8 -5.030 -1.214 -10.228 1.00 0.00 O ATOM 19 CB ARG A 8 -6.941 1.079 -10.738 1.00 0.00 C ATOM 20 CG ARG A 8 -7.862 -0.117 -10.807 1.00 0.00 C ATOM 21 CD ARG A 8 -9.129 0.116 -10.014 1.00 0.00 C ATOM 22 NE ARG A 8 -8.883 0.130 -8.561 1.00 0.00 N ATOM 23 CZ ARG A 8 -9.524 -0.662 -7.695 1.00 0.00 C ATOM 24 NH1 ARG A 8 -10.459 -1.513 -8.133 1.00 0.00 N ATOM 25 NH2 ARG A 8 -9.254 -0.590 -6.407 1.00 0.00 N ATOM 0 H ARG A 8 -6.454 -0.180 -12.911 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.120 1.863 -11.401 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.825 1.369 -9.694 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -7.417 1.915 -11.250 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -8.115 -0.324 -11.847 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.347 -0.997 -10.423 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -9.574 1.065 -10.314 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -9.852 -0.664 -10.251 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.186 0.779 -8.196 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.683 -1.557 -9.127 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.948 -2.117 -7.473 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.555 0.071 -6.069 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.744 -1.195 -5.749 1.00 0.00 H new ATOM 39 N PRO A 9 -3.491 0.431 -10.067 1.00 0.00 N ATOM 40 CA PRO A 9 -2.527 -0.386 -9.379 1.00 0.00 C ATOM 41 C PRO A 9 -2.858 -0.629 -7.923 1.00 0.00 C ATOM 42 O PRO A 9 -2.422 0.107 -7.034 1.00 0.00 O ATOM 43 CB PRO A 9 -1.200 0.375 -9.530 1.00 0.00 C ATOM 44 CG PRO A 9 -1.519 1.568 -10.369 1.00 0.00 C ATOM 45 CD PRO A 9 -2.992 1.793 -10.224 1.00 0.00 C ATOM 0 HA PRO A 9 -2.499 -1.388 -9.808 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.805 0.672 -8.559 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.442 -0.248 -10.005 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.957 2.440 -10.036 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.252 1.395 -11.411 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.227 2.416 -9.361 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.418 2.286 -11.098 1.00 0.00 H new ATOM 53 N GLY A 10 -3.689 -1.609 -7.705 1.00 0.00 N ATOM 54 CA GLY A 10 -3.978 -2.055 -6.381 1.00 0.00 C ATOM 55 C GLY A 10 -2.954 -3.083 -5.988 1.00 0.00 C ATOM 56 O GLY A 10 -2.143 -3.471 -6.837 1.00 0.00 O ATOM 0 H GLY A 10 -4.181 -2.116 -8.440 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.958 -1.216 -5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.980 -2.482 -6.336 1.00 0.00 H new ATOM 60 N ILE A 11 -2.984 -3.534 -4.721 1.00 0.00 N ATOM 61 CA ILE A 11 -2.030 -4.548 -4.197 1.00 0.00 C ATOM 62 C ILE A 11 -1.916 -5.706 -5.158 1.00 0.00 C ATOM 63 O ILE A 11 -2.840 -6.507 -5.282 1.00 0.00 O ATOM 64 CB ILE A 11 -2.472 -5.137 -2.825 1.00 0.00 C ATOM 65 CG1 ILE A 11 -2.804 -4.028 -1.849 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.381 -6.045 -2.249 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.289 -4.508 -0.509 1.00 0.00 C ATOM 0 H ILE A 11 -3.662 -3.213 -4.030 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.079 -4.029 -4.076 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.369 -5.735 -2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.917 -3.412 -1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.567 -3.388 -2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.710 -6.446 -1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.189 -6.866 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.466 -5.470 -2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.504 -3.651 0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.196 -5.099 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.520 -5.123 -0.043 1.00 0.00 H new ATOM 79 N THR A 12 -0.813 -5.759 -5.858 1.00 0.00 N ATOM 80 CA THR A 12 -0.572 -6.808 -6.810 1.00 0.00 C ATOM 81 C THR A 12 0.135 -8.002 -6.116 1.00 0.00 C ATOM 82 O THR A 12 0.415 -9.030 -6.729 1.00 0.00 O ATOM 83 CB THR A 12 0.246 -6.240 -7.990 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.369 -4.993 -8.400 1.00 0.00 O ATOM 85 CG2 THR A 12 0.233 -7.189 -9.185 1.00 0.00 C ATOM 0 H THR A 12 -0.058 -5.077 -5.783 1.00 0.00 H new ATOM 0 HA THR A 12 -1.514 -7.186 -7.208 1.00 0.00 H new ATOM 0 HB THR A 12 1.278 -6.101 -7.667 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.052 -4.735 -7.746 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.818 -6.759 -9.998 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.665 -8.146 -8.894 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.794 -7.341 -9.518 1.00 0.00 H new ATOM 93 N PHE A 13 0.378 -7.832 -4.801 1.00 0.00 N ATOM 94 CA PHE A 13 0.961 -8.867 -3.917 1.00 0.00 C ATOM 95 C PHE A 13 2.392 -9.226 -4.297 1.00 0.00 C ATOM 96 O PHE A 13 2.881 -10.303 -3.962 1.00 0.00 O ATOM 97 CB PHE A 13 0.080 -10.139 -3.876 1.00 0.00 C ATOM 98 CG PHE A 13 -1.299 -9.918 -3.314 1.00 0.00 C ATOM 99 CD1 PHE A 13 -1.511 -9.927 -1.949 1.00 0.00 C ATOM 100 CD2 PHE A 13 -2.381 -9.707 -4.155 1.00 0.00 C ATOM 101 CE1 PHE A 13 -2.773 -9.726 -1.429 1.00 0.00 C ATOM 102 CE2 PHE A 13 -3.644 -9.507 -3.641 1.00 0.00 C ATOM 103 CZ PHE A 13 -3.839 -9.516 -2.274 1.00 0.00 C ATOM 0 H PHE A 13 0.172 -6.960 -4.314 1.00 0.00 H new ATOM 0 HA PHE A 13 0.990 -8.431 -2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.011 -10.536 -4.887 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.586 -10.898 -3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.679 -10.093 -1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.232 -9.699 -5.225 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.924 -9.733 -0.360 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.479 -9.344 -4.306 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.827 -9.358 -1.868 1.00 0.00 H new ATOM 113 N GLU A 14 3.077 -8.306 -4.933 1.00 0.00 N ATOM 114 CA GLU A 14 4.439 -8.534 -5.353 1.00 0.00 C ATOM 115 C GLU A 14 5.323 -7.422 -4.829 1.00 0.00 C ATOM 116 O GLU A 14 4.914 -6.251 -4.827 1.00 0.00 O ATOM 117 CB GLU A 14 4.524 -8.560 -6.878 1.00 0.00 C ATOM 118 CG GLU A 14 3.628 -9.585 -7.536 1.00 0.00 C ATOM 119 CD GLU A 14 3.762 -9.587 -9.027 1.00 0.00 C ATOM 120 OE1 GLU A 14 4.621 -10.325 -9.554 1.00 0.00 O ATOM 121 OE2 GLU A 14 3.009 -8.880 -9.715 1.00 0.00 O ATOM 0 H GLU A 14 2.710 -7.385 -5.173 1.00 0.00 H new ATOM 0 HA GLU A 14 4.772 -9.493 -4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.268 -7.572 -7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.556 -8.757 -7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.870 -10.576 -7.151 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.591 -9.383 -7.267 1.00 0.00 H new ATOM 128 N ILE A 15 6.500 -7.767 -4.369 1.00 0.00 N ATOM 129 CA ILE A 15 7.452 -6.776 -3.935 1.00 0.00 C ATOM 130 C ILE A 15 7.956 -6.020 -5.157 1.00 0.00 C ATOM 131 O ILE A 15 8.445 -6.618 -6.136 1.00 0.00 O ATOM 132 CB ILE A 15 8.621 -7.403 -3.112 1.00 0.00 C ATOM 133 CG1 ILE A 15 8.085 -7.918 -1.765 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.757 -6.405 -2.903 1.00 0.00 C ATOM 135 CD1 ILE A 15 9.130 -8.532 -0.855 1.00 0.00 C ATOM 0 H ILE A 15 6.822 -8.731 -4.285 1.00 0.00 H new ATOM 0 HA ILE A 15 6.959 -6.079 -3.257 1.00 0.00 H new ATOM 0 HB ILE A 15 9.031 -8.241 -3.676 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.608 -7.090 -1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.311 -8.661 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.553 -6.876 -2.326 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.147 -6.090 -3.871 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.383 -5.536 -2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 15 8.657 -8.865 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.592 -9.384 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 15 9.893 -7.789 -0.624 1.00 0.00 H new ATOM 147 N GLY A 16 7.774 -4.729 -5.127 1.00 0.00 N ATOM 148 CA GLY A 16 8.113 -3.902 -6.238 1.00 0.00 C ATOM 149 C GLY A 16 6.876 -3.470 -6.981 1.00 0.00 C ATOM 150 O GLY A 16 6.908 -2.518 -7.762 1.00 0.00 O ATOM 0 H GLY A 16 7.386 -4.226 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.659 -3.025 -5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.776 -4.444 -6.912 1.00 0.00 H new ATOM 154 N ALA A 17 5.775 -4.157 -6.727 1.00 0.00 N ATOM 155 CA ALA A 17 4.524 -3.825 -7.361 1.00 0.00 C ATOM 156 C ALA A 17 3.842 -2.753 -6.559 1.00 0.00 C ATOM 157 O ALA A 17 4.287 -2.410 -5.458 1.00 0.00 O ATOM 158 CB ALA A 17 3.631 -5.045 -7.481 1.00 0.00 C ATOM 0 H ALA A 17 5.729 -4.948 -6.084 1.00 0.00 H new ATOM 0 HA ALA A 17 4.721 -3.463 -8.370 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.694 -4.764 -7.963 1.00 0.00 H new ATOM 0 HB2 ALA A 17 4.133 -5.806 -8.079 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.423 -5.443 -6.488 1.00 0.00 H new ATOM 164 N ARG A 18 2.789 -2.221 -7.079 1.00 0.00 N ATOM 165 CA ARG A 18 2.090 -1.184 -6.410 1.00 0.00 C ATOM 166 C ARG A 18 0.898 -1.708 -5.630 1.00 0.00 C ATOM 167 O ARG A 18 0.495 -2.882 -5.761 1.00 0.00 O ATOM 168 CB ARG A 18 1.639 -0.122 -7.409 1.00 0.00 C ATOM 169 CG ARG A 18 2.784 0.592 -8.092 1.00 0.00 C ATOM 170 CD ARG A 18 2.281 1.545 -9.149 1.00 0.00 C ATOM 171 NE ARG A 18 3.377 2.253 -9.798 1.00 0.00 N ATOM 172 CZ ARG A 18 3.586 2.311 -11.123 1.00 0.00 C ATOM 173 NH1 ARG A 18 2.748 1.710 -11.973 1.00 0.00 N ATOM 174 NH2 ARG A 18 4.640 2.958 -11.586 1.00 0.00 N ATOM 0 H ARG A 18 2.391 -2.493 -7.978 1.00 0.00 H new ATOM 0 HA ARG A 18 2.779 -0.738 -5.693 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.011 -0.591 -8.166 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.021 0.612 -6.892 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.367 1.140 -7.352 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.453 -0.139 -8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.711 0.993 -9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.600 2.265 -8.696 1.00 0.00 H new ATOM 0 HE ARG A 18 4.039 2.744 -9.197 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.939 1.200 -11.617 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.917 1.761 -12.978 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.287 3.408 -10.939 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.807 3.007 -12.591 1.00 0.00 H new ATOM 188 N LEU A 19 0.415 -0.865 -4.769 1.00 0.00 N ATOM 189 CA LEU A 19 -0.809 -1.069 -4.044 1.00 0.00 C ATOM 190 C LEU A 19 -1.551 0.250 -3.983 1.00 0.00 C ATOM 191 O LEU A 19 -0.935 1.311 -4.167 1.00 0.00 O ATOM 192 CB LEU A 19 -0.603 -1.734 -2.636 1.00 0.00 C ATOM 193 CG LEU A 19 0.107 -0.995 -1.465 1.00 0.00 C ATOM 194 CD1 LEU A 19 1.477 -0.493 -1.818 1.00 0.00 C ATOM 195 CD2 LEU A 19 -0.752 0.097 -0.865 1.00 0.00 C ATOM 0 H LEU A 19 0.876 0.016 -4.542 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.418 -1.798 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.592 -2.015 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.050 -2.658 -2.804 1.00 0.00 H new ATOM 0 HG LEU A 19 0.252 -1.752 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.913 0.011 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.110 -1.333 -2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.405 0.208 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.210 0.581 -0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.991 0.834 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.674 -0.337 -0.478 1.00 0.00 H new ATOM 207 N GLU A 20 -2.833 0.221 -3.719 1.00 0.00 N ATOM 208 CA GLU A 20 -3.601 1.433 -3.778 1.00 0.00 C ATOM 209 C GLU A 20 -3.853 1.946 -2.352 1.00 0.00 C ATOM 210 O GLU A 20 -4.465 1.250 -1.543 1.00 0.00 O ATOM 211 CB GLU A 20 -4.892 1.113 -4.532 1.00 0.00 C ATOM 212 CG GLU A 20 -5.711 2.295 -4.983 1.00 0.00 C ATOM 213 CD GLU A 20 -6.897 1.863 -5.815 1.00 0.00 C ATOM 214 OE1 GLU A 20 -7.857 1.316 -5.255 1.00 0.00 O ATOM 215 OE2 GLU A 20 -6.901 2.081 -7.055 1.00 0.00 O ATOM 0 H GLU A 20 -3.358 -0.616 -3.465 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.076 2.230 -4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.638 0.518 -5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.516 0.488 -3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.059 2.851 -4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.085 2.972 -5.564 1.00 0.00 H new ATOM 222 N ALA A 21 -3.316 3.118 -2.022 1.00 0.00 N ATOM 223 CA ALA A 21 -3.478 3.680 -0.679 1.00 0.00 C ATOM 224 C ALA A 21 -4.305 4.966 -0.681 1.00 0.00 C ATOM 225 O ALA A 21 -4.001 5.876 -1.431 1.00 0.00 O ATOM 226 CB ALA A 21 -2.118 3.955 -0.079 1.00 0.00 C ATOM 0 H ALA A 21 -2.768 3.696 -2.660 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.017 2.946 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.239 4.373 0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.553 3.025 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.580 4.665 -0.707 1.00 0.00 H new ATOM 232 N LEU A 22 -5.332 5.016 0.187 1.00 0.00 N ATOM 233 CA LEU A 22 -6.230 6.178 0.383 1.00 0.00 C ATOM 234 C LEU A 22 -5.618 7.053 1.414 1.00 0.00 C ATOM 235 O LEU A 22 -5.887 6.885 2.585 1.00 0.00 O ATOM 236 CB LEU A 22 -7.605 5.713 0.962 1.00 0.00 C ATOM 237 CG LEU A 22 -8.842 6.680 0.968 1.00 0.00 C ATOM 238 CD1 LEU A 22 -10.006 6.039 1.685 1.00 0.00 C ATOM 239 CD2 LEU A 22 -8.583 8.023 1.596 1.00 0.00 C ATOM 0 H LEU A 22 -5.570 4.229 0.790 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.372 6.682 -0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.899 4.820 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.432 5.408 1.994 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.066 6.855 -0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.856 6.721 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.281 5.114 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.723 5.818 2.714 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.491 8.624 1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.283 7.887 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.787 8.532 1.052 1.00 0.00 H new ATOM 251 N ASP A 23 -4.830 7.967 1.054 1.00 0.00 N ATOM 252 CA ASP A 23 -4.281 8.788 2.110 1.00 0.00 C ATOM 253 C ASP A 23 -3.883 10.070 1.625 1.00 0.00 C ATOM 254 O ASP A 23 -4.107 10.376 0.413 1.00 0.00 O ATOM 255 CB ASP A 23 -3.081 8.157 2.765 1.00 0.00 C ATOM 256 CG ASP A 23 -3.202 8.139 4.278 1.00 0.00 C ATOM 257 OD1 ASP A 23 -3.132 9.220 4.894 1.00 0.00 O ATOM 258 OD2 ASP A 23 -3.362 7.063 4.866 1.00 0.00 O ATOM 0 H ASP A 23 -4.542 8.185 0.100 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.083 8.890 2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.963 7.137 2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.183 8.704 2.480 1.00 0.00 H new ATOM 263 N TYR A 24 -3.348 10.838 2.593 1.00 0.00 N ATOM 264 CA TYR A 24 -2.701 12.130 2.495 1.00 0.00 C ATOM 265 C TYR A 24 -3.568 13.202 1.832 1.00 0.00 C ATOM 266 O TYR A 24 -3.845 14.243 2.415 1.00 0.00 O ATOM 267 CB TYR A 24 -1.333 11.945 1.833 1.00 0.00 C ATOM 268 CG TYR A 24 -0.452 13.149 1.888 1.00 0.00 C ATOM 269 CD1 TYR A 24 -0.143 13.736 3.096 1.00 0.00 C ATOM 270 CD2 TYR A 24 0.067 13.689 0.743 1.00 0.00 C ATOM 271 CE1 TYR A 24 0.667 14.857 3.152 1.00 0.00 C ATOM 272 CE2 TYR A 24 0.877 14.799 0.775 1.00 0.00 C ATOM 273 CZ TYR A 24 1.175 15.384 1.981 1.00 0.00 C ATOM 274 OH TYR A 24 1.970 16.511 2.011 1.00 0.00 O ATOM 0 H TYR A 24 -3.369 10.520 3.562 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.550 12.523 3.500 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.820 11.112 2.314 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.483 11.667 0.790 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.537 13.316 4.010 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.165 13.233 -0.208 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.899 15.315 4.102 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.276 15.208 -0.141 1.00 0.00 H new ATOM 0 HH TYR A 24 2.241 16.744 1.099 1.00 0.00 H new ATOM 284 N LEU A 25 -3.976 12.915 0.648 1.00 0.00 N ATOM 285 CA LEU A 25 -4.826 13.739 -0.152 1.00 0.00 C ATOM 286 C LEU A 25 -6.204 13.104 -0.118 1.00 0.00 C ATOM 287 O LEU A 25 -7.169 13.657 -0.647 1.00 0.00 O ATOM 288 CB LEU A 25 -4.374 13.707 -1.641 1.00 0.00 C ATOM 289 CG LEU A 25 -2.882 13.812 -2.003 1.00 0.00 C ATOM 290 CD1 LEU A 25 -2.251 15.014 -1.351 1.00 0.00 C ATOM 291 CD2 LEU A 25 -2.118 12.523 -1.675 1.00 0.00 C ATOM 0 H LEU A 25 -3.713 12.048 0.179 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.803 14.762 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.745 12.777 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.888 14.522 -2.152 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.818 13.947 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.197 15.064 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.757 15.919 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.342 14.930 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.069 12.642 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.195 12.316 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.546 11.693 -2.237 1.00 0.00 H new ATOM 303 N GLN A 26 -6.251 11.881 0.456 1.00 0.00 N ATOM 304 CA GLN A 26 -7.416 11.037 0.473 1.00 0.00 C ATOM 305 C GLN A 26 -7.645 10.500 -0.888 1.00 0.00 C ATOM 306 O GLN A 26 -8.771 10.230 -1.311 1.00 0.00 O ATOM 307 CB GLN A 26 -8.647 11.689 1.092 1.00 0.00 C ATOM 308 CG GLN A 26 -8.719 11.519 2.601 1.00 0.00 C ATOM 309 CD GLN A 26 -7.451 11.935 3.321 1.00 0.00 C ATOM 310 OE1 GLN A 26 -7.278 13.084 3.680 1.00 0.00 O ATOM 311 NE2 GLN A 26 -6.567 10.988 3.572 1.00 0.00 N ATOM 0 H GLN A 26 -5.447 11.464 0.926 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.221 10.202 1.146 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.647 12.752 0.852 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.542 11.261 0.641 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.554 12.106 2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.931 10.475 2.831 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.740 10.033 3.258 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.711 11.211 4.080 1.00 0.00 H new ATOM 320 N LYS A 27 -6.540 10.250 -1.541 1.00 0.00 N ATOM 321 CA LYS A 27 -6.574 9.724 -2.861 1.00 0.00 C ATOM 322 C LYS A 27 -6.212 8.331 -2.745 1.00 0.00 C ATOM 323 O LYS A 27 -5.509 7.982 -1.806 1.00 0.00 O ATOM 324 CB LYS A 27 -5.546 10.370 -3.792 1.00 0.00 C ATOM 325 CG LYS A 27 -5.702 11.839 -3.988 1.00 0.00 C ATOM 326 CD LYS A 27 -4.787 12.361 -5.098 1.00 0.00 C ATOM 327 CE LYS A 27 -5.152 11.773 -6.456 1.00 0.00 C ATOM 328 NZ LYS A 27 -4.258 12.250 -7.537 1.00 0.00 N ATOM 0 H LYS A 27 -5.604 10.407 -1.168 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.564 9.904 -3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.549 10.176 -3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.603 9.882 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.739 12.065 -4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.476 12.357 -3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.854 13.448 -5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.752 12.115 -4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.105 10.685 -6.402 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.182 12.036 -6.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.547 11.822 -8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.321 13.286 -7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.278 11.977 -7.322 1.00 0.00 H new ATOM 342 N TRP A 28 -6.686 7.545 -3.641 1.00 0.00 N ATOM 343 CA TRP A 28 -6.275 6.202 -3.754 1.00 0.00 C ATOM 344 C TRP A 28 -5.142 6.186 -4.729 1.00 0.00 C ATOM 345 O TRP A 28 -5.325 6.013 -5.937 1.00 0.00 O ATOM 346 CB TRP A 28 -7.409 5.321 -4.209 1.00 0.00 C ATOM 347 CG TRP A 28 -8.435 5.086 -3.162 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.593 5.764 -2.962 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.355 4.111 -2.149 1.00 0.00 C ATOM 350 NE1 TRP A 28 -10.282 5.193 -1.912 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.522 4.176 -1.390 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.405 3.175 -1.834 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -9.754 3.308 -0.310 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.611 2.342 -0.784 1.00 0.00 C ATOM 355 CH2 TRP A 28 -8.768 2.394 -0.026 1.00 0.00 C ATOM 0 H TRP A 28 -7.385 7.827 -4.329 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.959 5.807 -2.789 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.886 5.776 -5.078 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.006 4.362 -4.533 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.924 6.617 -3.535 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -11.203 5.479 -1.579 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.499 3.101 -2.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -10.664 3.357 0.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -6.851 1.617 -0.532 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.897 1.708 0.798 1.00 0.00 H new ATOM 366 N TYR A 29 -4.000 6.467 -4.222 1.00 0.00 N ATOM 367 CA TYR A 29 -2.851 6.664 -5.025 1.00 0.00 C ATOM 368 C TYR A 29 -1.964 5.439 -5.019 1.00 0.00 C ATOM 369 O TYR A 29 -1.769 4.793 -3.959 1.00 0.00 O ATOM 370 CB TYR A 29 -2.116 7.964 -4.587 1.00 0.00 C ATOM 371 CG TYR A 29 -1.672 8.017 -3.142 1.00 0.00 C ATOM 372 CD1 TYR A 29 -0.484 7.434 -2.700 1.00 0.00 C ATOM 373 CD2 TYR A 29 -2.424 8.705 -2.236 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.086 7.558 -1.387 1.00 0.00 C ATOM 375 CE2 TYR A 29 -2.047 8.818 -0.940 1.00 0.00 C ATOM 376 CZ TYR A 29 -0.873 8.252 -0.513 1.00 0.00 C ATOM 377 OH TYR A 29 -0.472 8.400 0.795 1.00 0.00 O ATOM 0 H TYR A 29 -3.834 6.568 -3.221 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.152 6.803 -6.063 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.239 8.094 -5.221 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.774 8.812 -4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.130 6.880 -3.394 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.343 9.171 -2.560 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.839 7.111 -1.052 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.672 9.355 -0.242 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.031 7.579 1.097 1.00 0.00 H new ATOM 387 N PRO A 30 -1.476 5.049 -6.208 1.00 0.00 N ATOM 388 CA PRO A 30 -0.562 3.940 -6.356 1.00 0.00 C ATOM 389 C PRO A 30 0.675 4.172 -5.525 1.00 0.00 C ATOM 390 O PRO A 30 1.381 5.158 -5.701 1.00 0.00 O ATOM 391 CB PRO A 30 -0.204 3.944 -7.843 1.00 0.00 C ATOM 392 CG PRO A 30 -1.326 4.657 -8.500 1.00 0.00 C ATOM 393 CD PRO A 30 -1.806 5.664 -7.507 1.00 0.00 C ATOM 0 HA PRO A 30 -0.994 2.994 -6.030 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.745 4.451 -8.020 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.100 2.929 -8.228 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.997 5.141 -9.420 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.123 3.965 -8.772 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.306 6.624 -7.635 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.876 5.846 -7.605 1.00 0.00 H new ATOM 401 N SER A 31 0.860 3.318 -4.595 1.00 0.00 N ATOM 402 CA SER A 31 1.975 3.312 -3.709 1.00 0.00 C ATOM 403 C SER A 31 2.725 2.022 -3.993 1.00 0.00 C ATOM 404 O SER A 31 2.168 1.167 -4.630 1.00 0.00 O ATOM 405 CB SER A 31 1.411 3.331 -2.303 1.00 0.00 C ATOM 406 OG SER A 31 0.600 4.474 -2.125 1.00 0.00 O ATOM 0 H SER A 31 0.205 2.557 -4.414 1.00 0.00 H new ATOM 0 HA SER A 31 2.649 4.160 -3.830 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.827 2.428 -2.124 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.223 3.334 -1.576 1.00 0.00 H new ATOM 0 HG SER A 31 -0.214 4.385 -2.664 1.00 0.00 H new ATOM 412 N ARG A 32 3.943 1.861 -3.565 1.00 0.00 N ATOM 413 CA ARG A 32 4.651 0.626 -3.889 1.00 0.00 C ATOM 414 C ARG A 32 4.808 -0.282 -2.690 1.00 0.00 C ATOM 415 O ARG A 32 4.813 0.163 -1.554 1.00 0.00 O ATOM 416 CB ARG A 32 6.013 0.899 -4.513 1.00 0.00 C ATOM 417 CG ARG A 32 5.958 1.533 -5.879 1.00 0.00 C ATOM 418 CD ARG A 32 7.350 1.816 -6.402 1.00 0.00 C ATOM 419 NE ARG A 32 8.052 2.824 -5.595 1.00 0.00 N ATOM 420 CZ ARG A 32 9.373 2.883 -5.425 1.00 0.00 C ATOM 421 NH1 ARG A 32 10.152 1.898 -5.874 1.00 0.00 N ATOM 422 NH2 ARG A 32 9.919 3.917 -4.791 1.00 0.00 N ATOM 0 H ARG A 32 4.466 2.536 -3.008 1.00 0.00 H new ATOM 0 HA ARG A 32 4.029 0.112 -4.622 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.580 1.549 -3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.561 -0.041 -4.584 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.433 0.873 -6.570 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.388 2.461 -5.831 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.928 0.892 -6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.285 2.160 -7.434 1.00 0.00 H new ATOM 0 HE ARG A 32 7.485 3.533 -5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.737 1.096 -6.349 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.162 1.946 -5.742 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.327 4.667 -4.434 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.930 3.960 -4.662 1.00 0.00 H new ATOM 436 N ILE A 33 4.898 -1.553 -2.954 1.00 0.00 N ATOM 437 CA ILE A 33 5.116 -2.545 -1.938 1.00 0.00 C ATOM 438 C ILE A 33 6.610 -2.826 -1.868 1.00 0.00 C ATOM 439 O ILE A 33 7.191 -3.328 -2.833 1.00 0.00 O ATOM 440 CB ILE A 33 4.384 -3.872 -2.274 1.00 0.00 C ATOM 441 CG1 ILE A 33 2.885 -3.637 -2.512 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.581 -4.857 -1.147 1.00 0.00 C ATOM 443 CD1 ILE A 33 2.113 -4.886 -2.903 1.00 0.00 C ATOM 0 H ILE A 33 4.821 -1.937 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 33 4.729 -2.168 -0.991 1.00 0.00 H new ATOM 0 HB ILE A 33 4.809 -4.276 -3.193 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.446 -3.221 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.766 -2.889 -3.296 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.067 -5.788 -1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.645 -5.053 -1.017 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.173 -4.442 -0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.063 -4.633 -3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.523 -5.293 -3.827 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.198 -5.629 -2.110 1.00 0.00 H new ATOM 455 N GLU A 34 7.231 -2.490 -0.763 1.00 0.00 N ATOM 456 CA GLU A 34 8.659 -2.710 -0.631 1.00 0.00 C ATOM 457 C GLU A 34 8.923 -4.060 0.076 1.00 0.00 C ATOM 458 O GLU A 34 9.928 -4.721 -0.176 1.00 0.00 O ATOM 459 CB GLU A 34 9.311 -1.531 0.126 1.00 0.00 C ATOM 460 CG GLU A 34 10.827 -1.491 0.062 1.00 0.00 C ATOM 461 CD GLU A 34 11.337 -1.238 -1.334 1.00 0.00 C ATOM 462 OE1 GLU A 34 11.430 -0.065 -1.741 1.00 0.00 O ATOM 463 OE2 GLU A 34 11.651 -2.202 -2.062 1.00 0.00 O ATOM 0 H GLU A 34 6.782 -2.069 0.050 1.00 0.00 H new ATOM 0 HA GLU A 34 9.112 -2.758 -1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.920 -0.598 -0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.007 -1.577 1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.196 -0.710 0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.228 -2.436 0.427 1.00 0.00 H new ATOM 470 N LYS A 35 7.996 -4.466 0.935 1.00 0.00 N ATOM 471 CA LYS A 35 8.077 -5.731 1.690 1.00 0.00 C ATOM 472 C LYS A 35 6.662 -6.231 1.929 1.00 0.00 C ATOM 473 O LYS A 35 5.718 -5.445 1.829 1.00 0.00 O ATOM 474 CB LYS A 35 8.791 -5.531 3.043 1.00 0.00 C ATOM 475 CG LYS A 35 10.279 -5.233 2.959 1.00 0.00 C ATOM 476 CD LYS A 35 11.062 -6.440 2.466 1.00 0.00 C ATOM 477 CE LYS A 35 12.540 -6.124 2.328 1.00 0.00 C ATOM 478 NZ LYS A 35 13.329 -7.325 1.989 1.00 0.00 N ATOM 0 H LYS A 35 7.154 -3.927 1.136 1.00 0.00 H new ATOM 0 HA LYS A 35 8.653 -6.456 1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.304 -4.713 3.574 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.651 -6.429 3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.445 -4.391 2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.647 -4.935 3.941 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.929 -7.270 3.160 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.666 -6.764 1.503 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.679 -5.368 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.909 -5.698 3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.333 -7.068 1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.217 -8.037 2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.994 -7.717 1.086 1.00 0.00 H new ATOM 492 N ILE A 36 6.497 -7.501 2.243 1.00 0.00 N ATOM 493 CA ILE A 36 5.163 -8.077 2.437 1.00 0.00 C ATOM 494 C ILE A 36 5.186 -9.049 3.609 1.00 0.00 C ATOM 495 O ILE A 36 6.109 -9.834 3.733 1.00 0.00 O ATOM 496 CB ILE A 36 4.685 -8.885 1.182 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.787 -8.056 -0.093 1.00 0.00 C ATOM 498 CG2 ILE A 36 3.246 -9.360 1.371 1.00 0.00 C ATOM 499 CD1 ILE A 36 4.383 -8.787 -1.348 1.00 0.00 C ATOM 0 H ILE A 36 7.264 -8.161 2.371 1.00 0.00 H new ATOM 0 HA ILE A 36 4.484 -7.244 2.616 1.00 0.00 H new ATOM 0 HB ILE A 36 5.343 -9.748 1.080 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.161 -7.170 0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.814 -7.709 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.929 -9.919 0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.187 -10.002 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.593 -8.498 1.507 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.487 -8.122 -2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.024 -9.658 -1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.346 -9.110 -1.263 1.00 0.00 H new ATOM 511 N ASP A 37 4.180 -9.002 4.441 1.00 0.00 N ATOM 512 CA ASP A 37 4.028 -9.962 5.519 1.00 0.00 C ATOM 513 C ASP A 37 2.709 -10.649 5.283 1.00 0.00 C ATOM 514 O ASP A 37 1.698 -10.008 5.260 1.00 0.00 O ATOM 515 CB ASP A 37 4.025 -9.284 6.902 1.00 0.00 C ATOM 516 CG ASP A 37 4.020 -10.296 8.030 1.00 0.00 C ATOM 517 OD1 ASP A 37 2.944 -10.770 8.413 1.00 0.00 O ATOM 518 OD2 ASP A 37 5.102 -10.618 8.569 1.00 0.00 O ATOM 0 H ASP A 37 3.440 -8.301 4.397 1.00 0.00 H new ATOM 0 HA ASP A 37 4.865 -10.660 5.521 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.902 -8.643 6.994 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.150 -8.640 6.988 1.00 0.00 H new ATOM 523 N TYR A 38 2.717 -11.920 5.097 1.00 0.00 N ATOM 524 CA TYR A 38 1.520 -12.640 4.721 1.00 0.00 C ATOM 525 C TYR A 38 0.926 -13.280 5.967 1.00 0.00 C ATOM 526 O TYR A 38 -0.273 -13.568 6.019 1.00 0.00 O ATOM 527 CB TYR A 38 1.837 -13.743 3.697 1.00 0.00 C ATOM 528 CG TYR A 38 2.768 -13.369 2.545 1.00 0.00 C ATOM 529 CD1 TYR A 38 4.145 -13.304 2.735 1.00 0.00 C ATOM 530 CD2 TYR A 38 2.278 -13.135 1.266 1.00 0.00 C ATOM 531 CE1 TYR A 38 5.002 -13.018 1.699 1.00 0.00 C ATOM 532 CE2 TYR A 38 3.135 -12.838 0.217 1.00 0.00 C ATOM 533 CZ TYR A 38 4.498 -12.782 0.445 1.00 0.00 C ATOM 534 OH TYR A 38 5.372 -12.526 -0.596 1.00 0.00 O ATOM 0 H TYR A 38 3.547 -12.505 5.197 1.00 0.00 H new ATOM 0 HA TYR A 38 0.817 -11.940 4.269 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.279 -14.585 4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.896 -14.093 3.273 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.550 -13.483 3.720 1.00 0.00 H new ATOM 0 HD2 TYR A 38 1.214 -13.185 1.086 1.00 0.00 H new ATOM 0 HE1 TYR A 38 6.067 -12.979 1.871 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.741 -12.652 -0.771 1.00 0.00 H new ATOM 0 HH TYR A 38 4.864 -12.380 -1.421 1.00 0.00 H new ATOM 544 N GLU A 39 1.793 -13.501 6.963 1.00 0.00 N ATOM 545 CA GLU A 39 1.422 -14.065 8.259 1.00 0.00 C ATOM 546 C GLU A 39 0.334 -13.211 8.895 1.00 0.00 C ATOM 547 O GLU A 39 -0.780 -13.682 9.166 1.00 0.00 O ATOM 548 CB GLU A 39 2.671 -14.122 9.165 1.00 0.00 C ATOM 549 CG GLU A 39 2.417 -14.578 10.597 1.00 0.00 C ATOM 550 CD GLU A 39 3.683 -14.608 11.426 1.00 0.00 C ATOM 551 OE1 GLU A 39 4.410 -13.592 11.476 1.00 0.00 O ATOM 552 OE2 GLU A 39 3.993 -15.658 12.046 1.00 0.00 O ATOM 0 H GLU A 39 2.788 -13.288 6.886 1.00 0.00 H new ATOM 0 HA GLU A 39 1.035 -15.076 8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.399 -14.795 8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.126 -13.132 9.192 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.695 -13.909 11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.970 -15.572 10.585 1.00 0.00 H new ATOM 559 N GLU A 40 0.640 -11.957 9.070 1.00 0.00 N ATOM 560 CA GLU A 40 -0.289 -11.009 9.612 1.00 0.00 C ATOM 561 C GLU A 40 -1.152 -10.536 8.466 1.00 0.00 C ATOM 562 O GLU A 40 -2.345 -10.260 8.610 1.00 0.00 O ATOM 563 CB GLU A 40 0.472 -9.821 10.195 1.00 0.00 C ATOM 564 CG GLU A 40 -0.384 -8.797 10.885 1.00 0.00 C ATOM 565 CD GLU A 40 -1.023 -9.290 12.162 1.00 0.00 C ATOM 566 OE1 GLU A 40 -1.919 -10.157 12.105 1.00 0.00 O ATOM 567 OE2 GLU A 40 -0.671 -8.776 13.254 1.00 0.00 O ATOM 0 H GLU A 40 1.551 -11.561 8.838 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.891 -11.459 10.402 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.210 -10.194 10.905 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.022 -9.331 9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.225 -7.921 11.110 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.168 -8.473 10.200 1.00 0.00 H new ATOM 574 N GLY A 41 -0.532 -10.469 7.325 1.00 0.00 N ATOM 575 CA GLY A 41 -1.196 -10.028 6.158 1.00 0.00 C ATOM 576 C GLY A 41 -1.169 -8.533 6.065 1.00 0.00 C ATOM 577 O GLY A 41 -2.202 -7.853 6.165 1.00 0.00 O ATOM 0 H GLY A 41 0.447 -10.721 7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.720 -10.461 5.278 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.228 -10.378 6.167 1.00 0.00 H new ATOM 581 N LYS A 42 0.021 -8.034 5.883 1.00 0.00 N ATOM 582 CA LYS A 42 0.312 -6.635 5.796 1.00 0.00 C ATOM 583 C LYS A 42 1.281 -6.454 4.656 1.00 0.00 C ATOM 584 O LYS A 42 1.878 -7.425 4.176 1.00 0.00 O ATOM 585 CB LYS A 42 1.060 -6.149 7.046 1.00 0.00 C ATOM 586 CG LYS A 42 0.445 -6.480 8.383 1.00 0.00 C ATOM 587 CD LYS A 42 1.278 -5.889 9.511 1.00 0.00 C ATOM 588 CE LYS A 42 2.706 -6.425 9.504 1.00 0.00 C ATOM 589 NZ LYS A 42 3.509 -5.901 10.626 1.00 0.00 N ATOM 0 H LYS A 42 0.850 -8.620 5.787 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.624 -6.089 5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.066 -6.567 7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.164 -5.066 6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.571 -6.089 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.376 -7.561 8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.297 -4.803 9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.809 -6.118 10.468 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.683 -7.514 9.555 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.186 -6.160 8.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.471 -6.294 10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.555 -4.864 10.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.068 -6.176 11.527 1.00 0.00 H new ATOM 603 N MET A 43 1.472 -5.259 4.244 1.00 0.00 N ATOM 604 CA MET A 43 2.488 -4.982 3.298 1.00 0.00 C ATOM 605 C MET A 43 3.204 -3.750 3.753 1.00 0.00 C ATOM 606 O MET A 43 2.645 -2.941 4.526 1.00 0.00 O ATOM 607 CB MET A 43 1.952 -4.823 1.843 1.00 0.00 C ATOM 608 CG MET A 43 1.427 -3.428 1.443 1.00 0.00 C ATOM 609 SD MET A 43 0.072 -2.805 2.460 1.00 0.00 S ATOM 610 CE MET A 43 -1.142 -4.087 2.230 1.00 0.00 C ATOM 0 H MET A 43 0.934 -4.448 4.549 1.00 0.00 H new ATOM 0 HA MET A 43 3.168 -5.833 3.253 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.752 -5.095 1.155 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.147 -5.544 1.697 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.253 -2.718 1.489 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.096 -3.464 0.405 1.00 0.00 H new ATOM 0 HE1 MET A 43 -2.110 -3.636 2.009 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.842 -4.728 1.401 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.219 -4.683 3.139 1.00 0.00 H new ATOM 620 N LEU A 44 4.428 -3.634 3.363 1.00 0.00 N ATOM 621 CA LEU A 44 5.179 -2.471 3.646 1.00 0.00 C ATOM 622 C LEU A 44 4.892 -1.536 2.508 1.00 0.00 C ATOM 623 O LEU A 44 5.445 -1.678 1.398 1.00 0.00 O ATOM 624 CB LEU A 44 6.691 -2.800 3.764 1.00 0.00 C ATOM 625 CG LEU A 44 7.661 -1.706 4.302 1.00 0.00 C ATOM 626 CD1 LEU A 44 7.741 -0.511 3.392 1.00 0.00 C ATOM 627 CD2 LEU A 44 7.271 -1.265 5.694 1.00 0.00 C ATOM 0 H LEU A 44 4.932 -4.348 2.838 1.00 0.00 H new ATOM 0 HA LEU A 44 4.906 -2.025 4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.789 -3.673 4.409 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.042 -3.094 2.775 1.00 0.00 H new ATOM 0 HG LEU A 44 8.649 -2.165 4.337 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.430 0.221 3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.099 -0.824 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.752 -0.063 3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.967 -0.501 6.042 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.261 -0.855 5.676 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.304 -2.120 6.369 1.00 0.00 H new ATOM 639 N VAL A 45 3.977 -0.663 2.748 1.00 0.00 N ATOM 640 CA VAL A 45 3.576 0.283 1.789 1.00 0.00 C ATOM 641 C VAL A 45 4.536 1.454 1.770 1.00 0.00 C ATOM 642 O VAL A 45 4.763 2.156 2.781 1.00 0.00 O ATOM 643 CB VAL A 45 2.081 0.723 1.954 1.00 0.00 C ATOM 644 CG1 VAL A 45 1.764 1.134 3.372 1.00 0.00 C ATOM 645 CG2 VAL A 45 1.731 1.851 0.999 1.00 0.00 C ATOM 0 H VAL A 45 3.482 -0.592 3.637 1.00 0.00 H new ATOM 0 HA VAL A 45 3.620 -0.197 0.812 1.00 0.00 H new ATOM 0 HB VAL A 45 1.472 -0.148 1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.717 1.431 3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.947 0.295 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.398 1.973 3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.688 2.134 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.370 2.710 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.884 1.519 -0.028 1.00 0.00 H new ATOM 655 N HIS A 46 5.158 1.588 0.658 1.00 0.00 N ATOM 656 CA HIS A 46 6.056 2.636 0.376 1.00 0.00 C ATOM 657 C HIS A 46 5.291 3.584 -0.504 1.00 0.00 C ATOM 658 O HIS A 46 5.240 3.416 -1.713 1.00 0.00 O ATOM 659 CB HIS A 46 7.277 2.068 -0.350 1.00 0.00 C ATOM 660 CG HIS A 46 8.432 3.003 -0.497 1.00 0.00 C ATOM 661 ND1 HIS A 46 9.490 3.001 0.360 1.00 0.00 N ATOM 662 CD2 HIS A 46 8.713 3.933 -1.429 1.00 0.00 C ATOM 663 CE1 HIS A 46 10.372 3.869 -0.024 1.00 0.00 C ATOM 664 NE2 HIS A 46 9.934 4.461 -1.110 1.00 0.00 N ATOM 0 H HIS A 46 5.046 0.935 -0.117 1.00 0.00 H new ATOM 0 HA HIS A 46 6.419 3.140 1.272 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.616 1.181 0.186 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.968 1.742 -1.343 1.00 0.00 H new ATOM 0 HD1 HIS A 46 9.576 2.404 1.183 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.093 4.210 -2.269 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.312 4.072 0.468 1.00 0.00 H new ATOM 673 N PHE A 47 4.598 4.484 0.128 1.00 0.00 N ATOM 674 CA PHE A 47 3.742 5.426 -0.551 1.00 0.00 C ATOM 675 C PHE A 47 4.553 6.283 -1.513 1.00 0.00 C ATOM 676 O PHE A 47 5.678 6.667 -1.208 1.00 0.00 O ATOM 677 CB PHE A 47 3.038 6.337 0.454 1.00 0.00 C ATOM 678 CG PHE A 47 2.234 5.647 1.539 1.00 0.00 C ATOM 679 CD1 PHE A 47 2.858 5.131 2.665 1.00 0.00 C ATOM 680 CD2 PHE A 47 0.858 5.564 1.454 1.00 0.00 C ATOM 681 CE1 PHE A 47 2.125 4.548 3.675 1.00 0.00 C ATOM 682 CE2 PHE A 47 0.119 4.976 2.462 1.00 0.00 C ATOM 683 CZ PHE A 47 0.752 4.470 3.572 1.00 0.00 C ATOM 0 H PHE A 47 4.608 4.590 1.142 1.00 0.00 H new ATOM 0 HA PHE A 47 2.996 4.859 -1.107 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.790 6.964 0.932 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.371 7.002 -0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.933 5.187 2.751 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.353 5.964 0.587 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.625 4.152 4.547 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.956 4.914 2.378 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.175 4.012 4.362 1.00 0.00 H new ATOM 693 N GLU A 48 3.973 6.586 -2.652 1.00 0.00 N ATOM 694 CA GLU A 48 4.638 7.400 -3.662 1.00 0.00 C ATOM 695 C GLU A 48 4.400 8.888 -3.403 1.00 0.00 C ATOM 696 O GLU A 48 4.808 9.750 -4.194 1.00 0.00 O ATOM 697 CB GLU A 48 4.134 7.026 -5.054 1.00 0.00 C ATOM 698 CG GLU A 48 4.415 5.586 -5.450 1.00 0.00 C ATOM 699 CD GLU A 48 5.876 5.286 -5.561 1.00 0.00 C ATOM 700 OE1 GLU A 48 6.461 5.523 -6.642 1.00 0.00 O ATOM 701 OE2 GLU A 48 6.474 4.805 -4.594 1.00 0.00 O ATOM 0 H GLU A 48 3.034 6.281 -2.910 1.00 0.00 H new ATOM 0 HA GLU A 48 5.709 7.207 -3.606 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.059 7.200 -5.098 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.595 7.689 -5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.967 4.918 -4.714 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.933 5.377 -6.405 1.00 0.00 H new ATOM 708 N ARG A 49 3.743 9.184 -2.309 1.00 0.00 N ATOM 709 CA ARG A 49 3.452 10.550 -1.936 1.00 0.00 C ATOM 710 C ARG A 49 3.769 10.710 -0.444 1.00 0.00 C ATOM 711 O ARG A 49 4.860 11.145 -0.086 1.00 0.00 O ATOM 712 CB ARG A 49 1.971 10.880 -2.236 1.00 0.00 C ATOM 713 CG ARG A 49 1.610 12.361 -2.207 1.00 0.00 C ATOM 714 CD ARG A 49 2.324 13.126 -3.313 1.00 0.00 C ATOM 715 NE ARG A 49 1.922 14.540 -3.376 1.00 0.00 N ATOM 716 CZ ARG A 49 2.773 15.581 -3.412 1.00 0.00 C ATOM 717 NH1 ARG A 49 4.083 15.382 -3.304 1.00 0.00 N ATOM 718 NH2 ARG A 49 2.304 16.817 -3.533 1.00 0.00 N ATOM 0 H ARG A 49 3.394 8.487 -1.651 1.00 0.00 H new ATOM 0 HA ARG A 49 4.061 11.245 -2.513 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.720 10.482 -3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.346 10.357 -1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.532 12.477 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.877 12.784 -1.238 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.401 13.065 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.116 12.650 -4.271 1.00 0.00 H new ATOM 0 HE ARG A 49 0.923 14.746 -3.394 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.448 14.436 -3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.723 16.175 -3.332 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.299 16.977 -3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.949 17.607 -3.560 1.00 0.00 H new ATOM 732 N TRP A 50 2.818 10.298 0.405 1.00 0.00 N ATOM 733 CA TRP A 50 2.958 10.249 1.876 1.00 0.00 C ATOM 734 C TRP A 50 3.425 11.602 2.487 1.00 0.00 C ATOM 735 O TRP A 50 3.309 12.664 1.853 1.00 0.00 O ATOM 736 CB TRP A 50 3.913 9.103 2.241 1.00 0.00 C ATOM 737 CG TRP A 50 3.670 8.446 3.581 1.00 0.00 C ATOM 738 CD1 TRP A 50 4.607 7.903 4.387 1.00 0.00 C ATOM 739 CD2 TRP A 50 2.408 8.251 4.251 1.00 0.00 C ATOM 740 NE1 TRP A 50 4.025 7.356 5.500 1.00 0.00 N ATOM 741 CE2 TRP A 50 2.681 7.563 5.450 1.00 0.00 C ATOM 742 CE3 TRP A 50 1.083 8.583 3.958 1.00 0.00 C ATOM 743 CZ2 TRP A 50 1.682 7.201 6.346 1.00 0.00 C ATOM 744 CZ3 TRP A 50 0.100 8.227 4.847 1.00 0.00 C ATOM 745 CH2 TRP A 50 0.400 7.542 6.030 1.00 0.00 C ATOM 0 H TRP A 50 1.904 9.980 0.084 1.00 0.00 H new ATOM 0 HA TRP A 50 1.975 10.063 2.309 1.00 0.00 H new ATOM 0 HB2 TRP A 50 3.847 8.339 1.466 1.00 0.00 H new ATOM 0 HB3 TRP A 50 4.933 9.486 2.225 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.668 7.900 4.183 1.00 0.00 H new ATOM 0 HE1 TRP A 50 4.521 6.870 6.248 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.837 9.110 3.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.912 6.670 7.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -0.927 8.481 4.629 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -0.400 7.278 6.706 1.00 0.00 H new ATOM 756 N SER A 51 3.918 11.551 3.710 1.00 0.00 N ATOM 757 CA SER A 51 4.354 12.716 4.413 1.00 0.00 C ATOM 758 C SER A 51 5.529 12.364 5.324 1.00 0.00 C ATOM 759 O SER A 51 5.465 11.382 6.074 1.00 0.00 O ATOM 760 CB SER A 51 3.190 13.283 5.245 1.00 0.00 C ATOM 761 OG SER A 51 3.557 14.473 5.937 1.00 0.00 O ATOM 0 H SER A 51 4.023 10.685 4.238 1.00 0.00 H new ATOM 0 HA SER A 51 4.679 13.469 3.696 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.344 13.491 4.590 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.860 12.533 5.964 1.00 0.00 H new ATOM 0 HG SER A 51 2.791 14.802 6.452 1.00 0.00 H new ATOM 767 N HIS A 52 6.600 13.144 5.202 1.00 0.00 N ATOM 768 CA HIS A 52 7.810 13.079 6.045 1.00 0.00 C ATOM 769 C HIS A 52 8.615 11.788 5.836 1.00 0.00 C ATOM 770 O HIS A 52 9.598 11.780 5.101 1.00 0.00 O ATOM 771 CB HIS A 52 7.471 13.303 7.541 1.00 0.00 C ATOM 772 CG HIS A 52 8.659 13.517 8.455 1.00 0.00 C ATOM 773 ND1 HIS A 52 9.585 12.662 8.948 1.00 0.00 N flip ATOM 774 CD2 HIS A 52 8.961 14.735 8.998 1.00 0.00 C flip ATOM 775 CE1 HIS A 52 10.408 13.389 9.765 1.00 0.00 C flip ATOM 776 NE2 HIS A 52 10.011 14.634 9.774 1.00 0.00 N flip ATOM 0 H HIS A 52 6.660 13.870 4.488 1.00 0.00 H new ATOM 0 HA HIS A 52 8.455 13.896 5.722 1.00 0.00 H new ATOM 0 HB2 HIS A 52 6.813 14.169 7.621 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.909 12.441 7.901 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.413 15.647 8.814 1.00 0.00 H new ATOM 0 HE1 HIS A 52 11.251 12.996 10.314 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.444 15.396 10.296 1.00 0.00 H new ATOM 785 N ARG A 53 8.188 10.713 6.462 1.00 0.00 N ATOM 786 CA ARG A 53 8.903 9.456 6.398 1.00 0.00 C ATOM 787 C ARG A 53 8.005 8.410 5.803 1.00 0.00 C ATOM 788 O ARG A 53 6.881 8.230 6.267 1.00 0.00 O ATOM 789 CB ARG A 53 9.346 9.005 7.796 1.00 0.00 C ATOM 790 CG ARG A 53 10.120 7.686 7.802 1.00 0.00 C ATOM 791 CD ARG A 53 10.376 7.184 9.211 1.00 0.00 C ATOM 792 NE ARG A 53 9.124 6.911 9.928 1.00 0.00 N ATOM 793 CZ ARG A 53 9.018 6.518 11.198 1.00 0.00 C ATOM 794 NH1 ARG A 53 10.104 6.312 11.933 1.00 0.00 N ATOM 795 NH2 ARG A 53 7.812 6.329 11.728 1.00 0.00 N ATOM 0 H ARG A 53 7.339 10.685 7.027 1.00 0.00 H new ATOM 0 HA ARG A 53 9.791 9.591 5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.968 9.783 8.238 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.466 8.902 8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.560 6.934 7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.071 7.821 7.287 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.977 6.275 9.170 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.956 7.925 9.761 1.00 0.00 H new ATOM 0 HE ARG A 53 8.256 7.033 9.407 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.029 6.454 11.527 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.014 6.012 12.904 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.977 6.485 11.164 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.723 6.028 12.699 1.00 0.00 H new ATOM 809 N TYR A 54 8.513 7.707 4.824 1.00 0.00 N ATOM 810 CA TYR A 54 7.763 6.682 4.116 1.00 0.00 C ATOM 811 C TYR A 54 7.831 5.361 4.870 1.00 0.00 C ATOM 812 O TYR A 54 8.279 5.311 6.024 1.00 0.00 O ATOM 813 CB TYR A 54 8.358 6.470 2.714 1.00 0.00 C ATOM 814 CG TYR A 54 8.420 7.706 1.862 1.00 0.00 C ATOM 815 CD1 TYR A 54 7.342 8.096 1.091 1.00 0.00 C ATOM 816 CD2 TYR A 54 9.565 8.480 1.828 1.00 0.00 C ATOM 817 CE1 TYR A 54 7.404 9.226 0.312 1.00 0.00 C ATOM 818 CE2 TYR A 54 9.635 9.610 1.055 1.00 0.00 C ATOM 819 CZ TYR A 54 8.555 9.978 0.299 1.00 0.00 C ATOM 820 OH TYR A 54 8.626 11.113 -0.472 1.00 0.00 O ATOM 0 H TYR A 54 9.468 7.825 4.487 1.00 0.00 H new ATOM 0 HA TYR A 54 6.727 7.011 4.039 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.365 6.068 2.819 1.00 0.00 H new ATOM 0 HB3 TYR A 54 7.767 5.717 2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 54 6.438 7.505 1.101 1.00 0.00 H new ATOM 0 HD2 TYR A 54 10.420 8.189 2.421 1.00 0.00 H new ATOM 0 HE1 TYR A 54 6.555 9.522 -0.286 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.536 10.206 1.043 1.00 0.00 H new ATOM 0 HH TYR A 54 9.508 11.526 -0.365 1.00 0.00 H new ATOM 830 N ASP A 55 7.371 4.304 4.192 1.00 0.00 N ATOM 831 CA ASP A 55 7.448 2.907 4.650 1.00 0.00 C ATOM 832 C ASP A 55 6.590 2.648 5.877 1.00 0.00 C ATOM 833 O ASP A 55 6.948 3.020 6.995 1.00 0.00 O ATOM 834 CB ASP A 55 8.910 2.457 4.915 1.00 0.00 C ATOM 835 CG ASP A 55 9.837 2.630 3.724 1.00 0.00 C ATOM 836 OD1 ASP A 55 9.676 1.929 2.708 1.00 0.00 O ATOM 837 OD2 ASP A 55 10.765 3.470 3.796 1.00 0.00 O ATOM 0 H ASP A 55 6.921 4.397 3.281 1.00 0.00 H new ATOM 0 HA ASP A 55 7.050 2.307 3.832 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.307 3.025 5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.908 1.408 5.211 1.00 0.00 H new ATOM 842 N GLU A 56 5.458 2.038 5.673 1.00 0.00 N ATOM 843 CA GLU A 56 4.564 1.688 6.773 1.00 0.00 C ATOM 844 C GLU A 56 4.012 0.285 6.543 1.00 0.00 C ATOM 845 O GLU A 56 3.868 -0.133 5.409 1.00 0.00 O ATOM 846 CB GLU A 56 3.424 2.730 6.874 1.00 0.00 C ATOM 847 CG GLU A 56 2.349 2.446 7.929 1.00 0.00 C ATOM 848 CD GLU A 56 2.857 2.419 9.352 1.00 0.00 C ATOM 849 OE1 GLU A 56 3.318 1.355 9.826 1.00 0.00 O ATOM 850 OE2 GLU A 56 2.768 3.448 10.047 1.00 0.00 O ATOM 0 H GLU A 56 5.118 1.765 4.751 1.00 0.00 H new ATOM 0 HA GLU A 56 5.111 1.696 7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.866 3.704 7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.939 2.805 5.901 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.571 3.205 7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.883 1.486 7.705 1.00 0.00 H new ATOM 857 N TRP A 57 3.743 -0.434 7.598 1.00 0.00 N ATOM 858 CA TRP A 57 3.167 -1.757 7.482 1.00 0.00 C ATOM 859 C TRP A 57 1.703 -1.667 7.715 1.00 0.00 C ATOM 860 O TRP A 57 1.276 -1.397 8.835 1.00 0.00 O ATOM 861 CB TRP A 57 3.723 -2.737 8.507 1.00 0.00 C ATOM 862 CG TRP A 57 5.133 -3.166 8.309 1.00 0.00 C ATOM 863 CD1 TRP A 57 6.242 -2.664 8.922 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.587 -4.214 7.450 1.00 0.00 C ATOM 865 NE1 TRP A 57 7.356 -3.336 8.491 1.00 0.00 N ATOM 866 CE2 TRP A 57 6.982 -4.290 7.585 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.946 -5.094 6.575 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.748 -5.211 6.880 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.706 -6.003 5.876 1.00 0.00 C ATOM 870 CH2 TRP A 57 7.091 -6.058 6.031 1.00 0.00 C ATOM 0 H TRP A 57 3.913 -0.129 8.556 1.00 0.00 H new ATOM 0 HA TRP A 57 3.411 -2.120 6.484 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.638 -2.284 9.495 1.00 0.00 H new ATOM 0 HB3 TRP A 57 3.092 -3.626 8.509 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.243 -1.857 9.640 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.312 -3.154 8.797 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.874 -5.061 6.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.821 -5.256 6.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.221 -6.687 5.195 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.657 -6.786 5.468 1.00 0.00 H new ATOM 881 N ILE A 58 0.921 -1.868 6.704 1.00 0.00 N ATOM 882 CA ILE A 58 -0.506 -1.832 6.898 1.00 0.00 C ATOM 883 C ILE A 58 -1.092 -3.095 6.282 1.00 0.00 C ATOM 884 O ILE A 58 -0.431 -3.745 5.495 1.00 0.00 O ATOM 885 CB ILE A 58 -1.185 -0.546 6.314 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.302 0.693 6.525 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.507 -0.307 7.045 1.00 0.00 C ATOM 888 CD1 ILE A 58 -0.889 1.979 5.973 1.00 0.00 C ATOM 0 H ILE A 58 1.230 -2.056 5.750 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.708 -1.792 7.968 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.340 -0.700 5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.121 0.819 7.593 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.666 0.519 6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.987 0.586 6.646 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.162 -1.166 6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.315 -0.170 8.109 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.202 2.804 6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.043 1.877 4.899 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.843 2.181 6.459 1.00 0.00 H new ATOM 900 N TYR A 59 -2.289 -3.437 6.650 1.00 0.00 N ATOM 901 CA TYR A 59 -2.931 -4.668 6.224 1.00 0.00 C ATOM 902 C TYR A 59 -3.611 -4.455 4.883 1.00 0.00 C ATOM 903 O TYR A 59 -3.910 -3.311 4.514 1.00 0.00 O ATOM 904 CB TYR A 59 -4.001 -5.066 7.243 1.00 0.00 C ATOM 905 CG TYR A 59 -3.544 -5.182 8.681 1.00 0.00 C ATOM 906 CD1 TYR A 59 -3.553 -4.075 9.513 1.00 0.00 C ATOM 907 CD2 TYR A 59 -3.135 -6.388 9.214 1.00 0.00 C ATOM 908 CE1 TYR A 59 -3.166 -4.158 10.825 1.00 0.00 C ATOM 909 CE2 TYR A 59 -2.743 -6.479 10.532 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.761 -5.361 11.331 1.00 0.00 C ATOM 911 OH TYR A 59 -2.366 -5.447 12.645 1.00 0.00 O ATOM 0 H TYR A 59 -2.867 -2.866 7.266 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.175 -5.449 6.142 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.807 -4.333 7.198 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.424 -6.024 6.940 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.873 -3.122 9.118 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.122 -7.270 8.591 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.181 -3.280 11.454 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.422 -7.428 10.936 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.109 -6.370 12.850 1.00 0.00 H new ATOM 921 N TRP A 60 -3.858 -5.530 4.149 1.00 0.00 N ATOM 922 CA TRP A 60 -4.579 -5.410 2.899 1.00 0.00 C ATOM 923 C TRP A 60 -6.034 -5.090 3.134 1.00 0.00 C ATOM 924 O TRP A 60 -6.717 -5.804 3.869 1.00 0.00 O ATOM 925 CB TRP A 60 -4.421 -6.617 1.947 1.00 0.00 C ATOM 926 CG TRP A 60 -3.847 -7.881 2.523 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.457 -8.779 3.354 1.00 0.00 C ATOM 928 CD2 TRP A 60 -2.551 -8.411 2.239 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.598 -9.822 3.618 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.428 -9.618 2.939 1.00 0.00 C ATOM 931 CE3 TRP A 60 -1.476 -7.973 1.459 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -1.273 -10.396 2.883 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -0.340 -8.751 1.409 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.250 -9.940 2.111 1.00 0.00 C ATOM 0 H TRP A 60 -3.574 -6.478 4.395 1.00 0.00 H new ATOM 0 HA TRP A 60 -4.111 -4.573 2.381 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.402 -6.850 1.533 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.789 -6.309 1.114 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.460 -8.685 3.744 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -3.801 -10.618 4.222 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.535 -7.046 0.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.193 -11.324 3.430 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 0.498 -8.426 0.810 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.657 -10.522 2.044 1.00 0.00 H new ATOM 945 N ASP A 61 -6.474 -3.983 2.529 1.00 0.00 N ATOM 946 CA ASP A 61 -7.849 -3.452 2.622 1.00 0.00 C ATOM 947 C ASP A 61 -8.448 -3.518 3.992 1.00 0.00 C ATOM 948 O ASP A 61 -9.511 -4.110 4.218 1.00 0.00 O ATOM 949 CB ASP A 61 -8.822 -3.901 1.496 1.00 0.00 C ATOM 950 CG ASP A 61 -9.009 -5.406 1.333 1.00 0.00 C ATOM 951 OD1 ASP A 61 -8.057 -6.107 0.942 1.00 0.00 O ATOM 952 OD2 ASP A 61 -10.135 -5.920 1.572 1.00 0.00 O ATOM 0 H ASP A 61 -5.869 -3.409 1.941 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.703 -2.390 2.426 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.797 -3.452 1.686 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.463 -3.495 0.550 1.00 0.00 H new ATOM 957 N SER A 62 -7.745 -2.938 4.916 1.00 0.00 N ATOM 958 CA SER A 62 -8.154 -2.892 6.249 1.00 0.00 C ATOM 959 C SER A 62 -8.960 -1.628 6.477 1.00 0.00 C ATOM 960 O SER A 62 -10.127 -1.676 6.852 1.00 0.00 O ATOM 961 CB SER A 62 -6.896 -2.931 7.096 1.00 0.00 C ATOM 962 OG SER A 62 -5.961 -1.943 6.649 1.00 0.00 O ATOM 0 H SER A 62 -6.852 -2.478 4.739 1.00 0.00 H new ATOM 0 HA SER A 62 -8.795 -3.732 6.517 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.149 -2.755 8.142 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.443 -3.921 7.040 1.00 0.00 H new ATOM 0 HG SER A 62 -5.330 -2.351 6.020 1.00 0.00 H new ATOM 968 N ASN A 63 -8.344 -0.509 6.186 1.00 0.00 N ATOM 969 CA ASN A 63 -8.959 0.775 6.399 1.00 0.00 C ATOM 970 C ASN A 63 -8.783 1.736 5.231 1.00 0.00 C ATOM 971 O ASN A 63 -9.757 2.309 4.751 1.00 0.00 O ATOM 972 CB ASN A 63 -8.474 1.378 7.729 1.00 0.00 C ATOM 973 CG ASN A 63 -6.949 1.379 7.921 1.00 0.00 C ATOM 974 OD1 ASN A 63 -6.157 1.549 6.982 1.00 0.00 O ATOM 975 ND2 ASN A 63 -6.537 1.103 9.105 1.00 0.00 N ATOM 0 H ASN A 63 -7.403 -0.464 5.795 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.035 0.611 6.463 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.835 2.404 7.799 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.929 0.823 8.550 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.538 1.019 9.291 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.209 0.968 9.860 1.00 0.00 H new ATOM 982 N ARG A 64 -7.570 1.909 4.754 1.00 0.00 N ATOM 983 CA ARG A 64 -7.328 2.856 3.689 1.00 0.00 C ATOM 984 C ARG A 64 -6.455 2.241 2.573 1.00 0.00 C ATOM 985 O ARG A 64 -5.865 2.928 1.766 1.00 0.00 O ATOM 986 CB ARG A 64 -6.761 4.190 4.305 1.00 0.00 C ATOM 987 CG ARG A 64 -5.280 4.541 4.101 1.00 0.00 C ATOM 988 CD ARG A 64 -4.280 3.636 4.783 1.00 0.00 C ATOM 989 NE ARG A 64 -4.421 3.549 6.245 1.00 0.00 N ATOM 990 CZ ARG A 64 -3.647 4.201 7.124 1.00 0.00 C ATOM 991 NH1 ARG A 64 -3.001 5.306 6.768 1.00 0.00 N ATOM 992 NH2 ARG A 64 -3.583 3.793 8.374 1.00 0.00 N ATOM 0 H ARG A 64 -6.743 1.411 5.083 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.263 3.110 3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.351 5.013 3.903 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.946 4.160 5.379 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.071 4.538 3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.117 5.559 4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.373 2.634 4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.275 3.988 4.550 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.159 2.951 6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.091 5.666 5.818 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.415 5.794 7.445 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -4.122 2.981 8.674 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.994 4.289 9.043 1.00 0.00 H new ATOM 1006 N LEU A 65 -6.442 0.935 2.497 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.656 0.240 1.474 1.00 0.00 C ATOM 1008 C LEU A 65 -6.558 -0.548 0.568 1.00 0.00 C ATOM 1009 O LEU A 65 -7.591 -1.017 1.004 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.577 -0.692 2.093 1.00 0.00 C ATOM 1011 CG LEU A 65 -3.366 -0.022 2.730 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.783 1.086 1.841 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.711 0.485 4.080 1.00 0.00 C ATOM 0 H LEU A 65 -6.961 0.320 3.124 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.136 1.003 0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.058 -1.311 2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.221 -1.363 1.312 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.584 -0.775 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.922 1.535 2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.472 0.661 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.541 1.850 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.837 0.961 4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.519 1.212 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.031 -0.345 4.710 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.206 -0.630 -0.690 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.921 -1.443 -1.646 1.00 0.00 C ATOM 1027 C ARG A 66 -6.001 -2.306 -2.462 1.00 0.00 C ATOM 1028 O ARG A 66 -4.903 -1.861 -2.929 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.872 -0.655 -2.563 1.00 0.00 C ATOM 1030 CG ARG A 66 -9.229 -0.384 -1.946 1.00 0.00 C ATOM 1031 CD ARG A 66 -10.146 0.378 -2.886 1.00 0.00 C ATOM 1032 NE ARG A 66 -11.456 0.616 -2.264 1.00 0.00 N ATOM 1033 CZ ARG A 66 -12.282 1.639 -2.558 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -11.984 2.500 -3.531 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -13.410 1.787 -1.876 1.00 0.00 N ATOM 0 H ARG A 66 -5.409 -0.131 -1.085 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.550 -2.087 -1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.406 0.295 -2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.009 -1.209 -3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.697 -1.330 -1.672 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.100 0.186 -1.026 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.688 1.330 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.275 -0.185 -3.810 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.765 -0.047 -1.553 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.121 2.389 -4.064 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.619 3.270 -3.743 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.648 1.129 -1.134 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -14.040 2.559 -2.093 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.396 -3.575 -2.605 1.00 0.00 N ATOM 1050 CA PRO A 67 -5.710 -4.536 -3.420 1.00 0.00 C ATOM 1051 C PRO A 67 -6.152 -4.419 -4.848 1.00 0.00 C ATOM 1052 O PRO A 67 -6.904 -3.495 -5.209 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.190 -5.860 -2.842 1.00 0.00 C ATOM 1054 CG PRO A 67 -7.593 -5.578 -2.471 1.00 0.00 C ATOM 1055 CD PRO A 67 -7.587 -4.180 -1.949 1.00 0.00 C ATOM 0 HA PRO A 67 -4.627 -4.415 -3.415 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.121 -6.667 -3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.598 -6.160 -1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.255 -5.674 -3.332 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.949 -6.279 -1.716 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.503 -3.649 -2.210 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.503 -4.157 -0.862 1.00 0.00 H new ATOM 1063 N LEU A 68 -5.667 -5.315 -5.659 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.114 -5.430 -7.010 1.00 0.00 C ATOM 1065 C LEU A 68 -7.589 -5.699 -7.031 1.00 0.00 C ATOM 1066 O LEU A 68 -8.118 -6.257 -6.060 1.00 0.00 O ATOM 1067 CB LEU A 68 -5.396 -6.576 -7.678 1.00 0.00 C ATOM 1068 CG LEU A 68 -4.088 -6.242 -8.355 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -3.482 -7.500 -8.958 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -4.342 -5.210 -9.431 1.00 0.00 C ATOM 0 H LEU A 68 -4.947 -5.988 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.903 -4.501 -7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.207 -7.345 -6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.064 -7.012 -8.421 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.386 -5.838 -7.626 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.539 -7.252 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.302 -8.231 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.170 -7.919 -9.692 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.403 -4.962 -9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.043 -5.612 -10.163 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.763 -4.311 -8.981 1.00 0.00 H new ATOM 1082 N GLU A 69 -8.229 -5.281 -8.116 1.00 0.00 N ATOM 1083 CA GLU A 69 -9.650 -5.504 -8.375 1.00 0.00 C ATOM 1084 C GLU A 69 -10.033 -6.951 -8.055 1.00 0.00 C ATOM 1085 O GLU A 69 -9.818 -7.877 -8.849 1.00 0.00 O ATOM 1086 CB GLU A 69 -9.968 -5.122 -9.826 1.00 0.00 C ATOM 1087 CG GLU A 69 -8.944 -5.654 -10.826 1.00 0.00 C ATOM 1088 CD GLU A 69 -9.222 -5.238 -12.237 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -9.061 -4.045 -12.562 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -9.602 -6.095 -13.055 1.00 0.00 O ATOM 0 H GLU A 69 -7.763 -4.763 -8.861 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.250 -4.870 -7.722 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.955 -5.504 -10.088 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.015 -4.036 -9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.952 -5.304 -10.540 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.926 -6.743 -10.772 1.00 0.00 H new ATOM 1097 N ARG A 70 -10.553 -7.126 -6.872 1.00 0.00 N ATOM 1098 CA ARG A 70 -10.774 -8.421 -6.318 1.00 0.00 C ATOM 1099 C ARG A 70 -11.975 -9.096 -6.937 1.00 0.00 C ATOM 1100 O ARG A 70 -13.082 -8.549 -6.925 1.00 0.00 O ATOM 1101 CB ARG A 70 -10.894 -8.345 -4.782 1.00 0.00 C ATOM 1102 CG ARG A 70 -11.180 -9.680 -4.095 1.00 0.00 C ATOM 1103 CD ARG A 70 -11.146 -9.548 -2.580 1.00 0.00 C ATOM 1104 NE ARG A 70 -9.807 -9.187 -2.098 1.00 0.00 N ATOM 1105 CZ ARG A 70 -9.532 -8.376 -1.068 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -10.495 -7.829 -0.347 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -8.281 -8.126 -0.769 1.00 0.00 N ATOM 0 H ARG A 70 -10.837 -6.359 -6.262 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.907 -9.037 -6.556 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.967 -7.936 -4.379 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -11.689 -7.644 -4.528 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.157 -10.049 -4.407 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -10.444 -10.419 -4.413 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.863 -8.790 -2.264 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.455 -10.489 -2.125 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.012 -9.591 -2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.471 -8.021 -0.570 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.262 -7.214 0.433 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.531 -8.547 -1.318 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.057 -7.510 0.013 1.00 0.00 H new TER 1121 ARG A 70