USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=14 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 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot -43:sc= -0.378 USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.487 F(o=-2.2,f=-0.49) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= -0.0499 (180deg=-0.368) USER MOD Single : A 29 TYR OH : rot 69:sc= -0.258 USER MOD Single : A 31 SER OG : rot 73:sc= 0.522 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+ -174:sc= -0.468 (180deg=-0.586) USER MOD Single : A 43 MET CE :methyl -138:sc= -0.0807 (180deg=-0.995) USER MOD Single : A 46 HIS : no HE2:sc= -3.22 K(o=-3.2,f=-8!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,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 170:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.673 K(o=0.67,f=-9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 1.207 -1.095 -15.438 1.00 0.00 N ATOM 2 CA ASN A 7 0.216 -0.186 -14.955 1.00 0.00 C ATOM 3 C ASN A 7 -0.853 -0.992 -14.283 1.00 0.00 C ATOM 4 O ASN A 7 -1.835 -1.418 -14.895 1.00 0.00 O ATOM 5 CB ASN A 7 -0.345 0.700 -16.075 1.00 0.00 C ATOM 6 CG ASN A 7 -1.248 1.803 -15.555 1.00 0.00 C ATOM 7 OD1 ASN A 7 -0.763 2.869 -15.174 1.00 0.00 O ATOM 8 ND2 ASN A 7 -2.542 1.594 -15.591 1.00 0.00 N ATOM 0 HA ASN A 7 0.662 0.504 -14.239 1.00 0.00 H new ATOM 0 HB2 ASN A 7 0.482 1.144 -16.629 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -0.903 0.081 -16.777 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.186 2.329 -15.297 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.905 0.697 -15.913 1.00 0.00 H new ATOM 15 N ARG A 8 -0.602 -1.279 -13.056 1.00 0.00 N ATOM 16 CA ARG A 8 -1.442 -2.117 -12.262 1.00 0.00 C ATOM 17 C ARG A 8 -1.715 -1.437 -10.930 1.00 0.00 C ATOM 18 O ARG A 8 -0.896 -1.485 -10.027 1.00 0.00 O ATOM 19 CB ARG A 8 -0.783 -3.516 -12.089 1.00 0.00 C ATOM 20 CG ARG A 8 0.676 -3.474 -11.610 1.00 0.00 C ATOM 21 CD ARG A 8 1.297 -4.855 -11.520 1.00 0.00 C ATOM 22 NE ARG A 8 2.687 -4.794 -11.024 1.00 0.00 N ATOM 23 CZ ARG A 8 3.417 -5.844 -10.616 1.00 0.00 C ATOM 24 NH1 ARG A 8 2.986 -7.086 -10.807 1.00 0.00 N ATOM 25 NH2 ARG A 8 4.606 -5.635 -10.075 1.00 0.00 N ATOM 0 H ARG A 8 0.216 -0.929 -12.558 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.400 -2.273 -12.758 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.370 -4.095 -11.377 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.825 -4.045 -13.041 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.262 -2.859 -12.293 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.720 -2.995 -10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.700 -5.481 -10.856 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.281 -5.327 -12.502 1.00 0.00 H new ATOM 0 HE ARG A 8 3.130 -3.876 -10.988 1.00 0.00 H new ATOM 0 HH11 ARG A 8 2.091 -7.250 -11.268 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.550 -7.876 -10.492 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.959 -4.684 -9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 8 5.170 -6.425 -9.761 1.00 0.00 H new ATOM 39 N PRO A 9 -2.816 -0.704 -10.825 1.00 0.00 N ATOM 40 CA PRO A 9 -3.156 -0.010 -9.613 1.00 0.00 C ATOM 41 C PRO A 9 -3.875 -0.911 -8.628 1.00 0.00 C ATOM 42 O PRO A 9 -5.098 -1.092 -8.698 1.00 0.00 O ATOM 43 CB PRO A 9 -4.061 1.148 -10.078 1.00 0.00 C ATOM 44 CG PRO A 9 -4.270 0.933 -11.556 1.00 0.00 C ATOM 45 CD PRO A 9 -3.812 -0.466 -11.864 1.00 0.00 C ATOM 0 HA PRO A 9 -2.271 0.340 -9.082 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.011 1.142 -9.543 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.593 2.113 -9.885 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.320 1.063 -11.820 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.703 1.661 -12.136 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.632 -1.183 -11.813 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.383 -0.543 -12.863 1.00 0.00 H new ATOM 53 N GLY A 10 -3.109 -1.563 -7.812 1.00 0.00 N ATOM 54 CA GLY A 10 -3.645 -2.377 -6.795 1.00 0.00 C ATOM 55 C GLY A 10 -2.674 -3.445 -6.402 1.00 0.00 C ATOM 56 O GLY A 10 -1.746 -3.754 -7.158 1.00 0.00 O ATOM 0 H GLY A 10 -2.090 -1.538 -7.842 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.892 -1.766 -5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.574 -2.832 -7.139 1.00 0.00 H new ATOM 60 N ILE A 11 -2.876 -4.003 -5.229 1.00 0.00 N ATOM 61 CA ILE A 11 -2.015 -5.045 -4.691 1.00 0.00 C ATOM 62 C ILE A 11 -1.964 -6.233 -5.639 1.00 0.00 C ATOM 63 O ILE A 11 -2.948 -6.934 -5.834 1.00 0.00 O ATOM 64 CB ILE A 11 -2.507 -5.536 -3.308 1.00 0.00 C ATOM 65 CG1 ILE A 11 -2.803 -4.334 -2.419 1.00 0.00 C ATOM 66 CG2 ILE A 11 -1.458 -6.446 -2.660 1.00 0.00 C ATOM 67 CD1 ILE A 11 -3.269 -4.675 -1.026 1.00 0.00 C ATOM 0 H ILE A 11 -3.648 -3.748 -4.613 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.021 -4.612 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.421 -6.115 -3.435 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.903 -3.724 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.565 -3.722 -2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.819 -6.783 -1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.280 -7.310 -3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.528 -5.893 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.454 -3.756 -0.469 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.189 -5.257 -1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.501 -5.259 -0.518 1.00 0.00 H new ATOM 79 N THR A 12 -0.839 -6.405 -6.266 1.00 0.00 N ATOM 80 CA THR A 12 -0.636 -7.512 -7.159 1.00 0.00 C ATOM 81 C THR A 12 0.050 -8.669 -6.384 1.00 0.00 C ATOM 82 O THR A 12 0.458 -9.677 -6.962 1.00 0.00 O ATOM 83 CB THR A 12 0.241 -7.049 -8.325 1.00 0.00 C ATOM 84 OG1 THR A 12 -0.089 -5.673 -8.634 1.00 0.00 O ATOM 85 CG2 THR A 12 -0.028 -7.895 -9.557 1.00 0.00 C ATOM 0 H THR A 12 -0.035 -5.784 -6.175 1.00 0.00 H new ATOM 0 HA THR A 12 -1.588 -7.869 -7.550 1.00 0.00 H new ATOM 0 HB THR A 12 1.289 -7.146 -8.043 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.062 -5.559 -8.619 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.603 -7.554 -10.378 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.195 -8.939 -9.337 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.076 -7.800 -9.842 1.00 0.00 H new ATOM 93 N PHE A 13 0.170 -8.462 -5.057 1.00 0.00 N ATOM 94 CA PHE A 13 0.765 -9.409 -4.085 1.00 0.00 C ATOM 95 C PHE A 13 2.267 -9.623 -4.346 1.00 0.00 C ATOM 96 O PHE A 13 2.907 -10.508 -3.788 1.00 0.00 O ATOM 97 CB PHE A 13 -0.034 -10.733 -4.046 1.00 0.00 C ATOM 98 CG PHE A 13 0.352 -11.686 -2.945 1.00 0.00 C ATOM 99 CD1 PHE A 13 0.153 -11.346 -1.618 1.00 0.00 C ATOM 100 CD2 PHE A 13 0.901 -12.923 -3.241 1.00 0.00 C ATOM 101 CE1 PHE A 13 0.497 -12.218 -0.609 1.00 0.00 C ATOM 102 CE2 PHE A 13 1.247 -13.797 -2.236 1.00 0.00 C ATOM 103 CZ PHE A 13 1.045 -13.445 -0.918 1.00 0.00 C ATOM 0 H PHE A 13 -0.155 -7.602 -4.615 1.00 0.00 H new ATOM 0 HA PHE A 13 0.693 -8.967 -3.091 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.093 -10.496 -3.944 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.089 -11.240 -5.003 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.277 -10.386 -1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.059 -13.204 -4.272 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.338 -11.941 0.423 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.676 -14.758 -2.479 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.316 -14.130 -0.128 1.00 0.00 H new ATOM 113 N GLU A 14 2.830 -8.770 -5.140 1.00 0.00 N ATOM 114 CA GLU A 14 4.224 -8.848 -5.438 1.00 0.00 C ATOM 115 C GLU A 14 4.953 -7.701 -4.804 1.00 0.00 C ATOM 116 O GLU A 14 4.433 -6.577 -4.731 1.00 0.00 O ATOM 117 CB GLU A 14 4.481 -8.870 -6.934 1.00 0.00 C ATOM 118 CG GLU A 14 3.905 -10.074 -7.643 1.00 0.00 C ATOM 119 CD GLU A 14 4.382 -10.159 -9.054 1.00 0.00 C ATOM 120 OE1 GLU A 14 3.806 -9.500 -9.931 1.00 0.00 O ATOM 121 OE2 GLU A 14 5.378 -10.869 -9.312 1.00 0.00 O ATOM 0 H GLU A 14 2.339 -8.003 -5.599 1.00 0.00 H new ATOM 0 HA GLU A 14 4.598 -9.785 -5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.062 -7.966 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.557 -8.840 -7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.186 -10.981 -7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.816 -10.019 -7.629 1.00 0.00 H new ATOM 128 N ILE A 15 6.131 -7.969 -4.345 1.00 0.00 N ATOM 129 CA ILE A 15 6.953 -6.970 -3.730 1.00 0.00 C ATOM 130 C ILE A 15 7.459 -6.062 -4.839 1.00 0.00 C ATOM 131 O ILE A 15 8.187 -6.505 -5.731 1.00 0.00 O ATOM 132 CB ILE A 15 8.163 -7.580 -2.930 1.00 0.00 C ATOM 133 CG1 ILE A 15 7.716 -8.436 -1.716 1.00 0.00 C ATOM 134 CG2 ILE A 15 9.095 -6.491 -2.456 1.00 0.00 C ATOM 135 CD1 ILE A 15 7.080 -9.773 -2.049 1.00 0.00 C ATOM 0 H ILE A 15 6.557 -8.895 -4.385 1.00 0.00 H new ATOM 0 HA ILE A 15 6.359 -6.422 -2.999 1.00 0.00 H new ATOM 0 HB ILE A 15 8.683 -8.239 -3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.585 -8.616 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.007 -7.854 -1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.924 -6.936 -1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.482 -5.944 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.553 -5.806 -1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.807 -10.286 -1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 15 6.187 -9.611 -2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.789 -10.384 -2.608 1.00 0.00 H new ATOM 147 N GLY A 16 7.046 -4.831 -4.799 1.00 0.00 N ATOM 148 CA GLY A 16 7.376 -3.897 -5.834 1.00 0.00 C ATOM 149 C GLY A 16 6.155 -3.493 -6.608 1.00 0.00 C ATOM 150 O GLY A 16 6.219 -2.599 -7.456 1.00 0.00 O ATOM 0 H GLY A 16 6.472 -4.446 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.841 -3.014 -5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.108 -4.341 -6.509 1.00 0.00 H new ATOM 154 N ALA A 17 5.037 -4.150 -6.327 1.00 0.00 N ATOM 155 CA ALA A 17 3.792 -3.813 -6.979 1.00 0.00 C ATOM 156 C ALA A 17 3.254 -2.508 -6.429 1.00 0.00 C ATOM 157 O ALA A 17 3.553 -2.126 -5.284 1.00 0.00 O ATOM 158 CB ALA A 17 2.769 -4.924 -6.809 1.00 0.00 C ATOM 0 H ALA A 17 4.973 -4.914 -5.655 1.00 0.00 H new ATOM 0 HA ALA A 17 3.984 -3.695 -8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.842 -4.644 -7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.155 -5.844 -7.248 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.576 -5.081 -5.748 1.00 0.00 H new ATOM 164 N ARG A 18 2.483 -1.833 -7.227 1.00 0.00 N ATOM 165 CA ARG A 18 1.919 -0.570 -6.852 1.00 0.00 C ATOM 166 C ARG A 18 0.475 -0.762 -6.472 1.00 0.00 C ATOM 167 O ARG A 18 -0.376 -1.014 -7.306 1.00 0.00 O ATOM 168 CB ARG A 18 2.087 0.436 -7.986 1.00 0.00 C ATOM 169 CG ARG A 18 3.548 0.699 -8.304 1.00 0.00 C ATOM 170 CD ARG A 18 3.741 1.445 -9.600 1.00 0.00 C ATOM 171 NE ARG A 18 3.215 2.813 -9.600 1.00 0.00 N ATOM 172 CZ ARG A 18 2.801 3.440 -10.716 1.00 0.00 C ATOM 173 NH1 ARG A 18 2.795 2.792 -11.874 1.00 0.00 N ATOM 174 NH2 ARG A 18 2.421 4.701 -10.675 1.00 0.00 N ATOM 0 H ARG A 18 2.225 -2.145 -8.163 1.00 0.00 H new ATOM 0 HA ARG A 18 2.443 -0.168 -5.985 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.584 0.063 -8.878 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.601 1.373 -7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.994 1.272 -7.491 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.080 -0.251 -8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.806 1.479 -9.829 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.260 0.885 -10.402 1.00 0.00 H new ATOM 0 HE ARG A 18 3.160 3.313 -8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.104 1.821 -11.917 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.482 3.265 -12.722 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.439 5.211 -9.792 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.109 5.168 -11.527 1.00 0.00 H new ATOM 188 N LEU A 19 0.229 -0.677 -5.209 1.00 0.00 N ATOM 189 CA LEU A 19 -1.090 -0.885 -4.660 1.00 0.00 C ATOM 190 C LEU A 19 -1.816 0.430 -4.527 1.00 0.00 C ATOM 191 O LEU A 19 -1.237 1.477 -4.791 1.00 0.00 O ATOM 192 CB LEU A 19 -0.994 -1.627 -3.303 1.00 0.00 C ATOM 193 CG LEU A 19 -0.042 -1.065 -2.214 1.00 0.00 C ATOM 194 CD1 LEU A 19 -0.489 0.274 -1.679 1.00 0.00 C ATOM 195 CD2 LEU A 19 0.084 -2.038 -1.077 1.00 0.00 C ATOM 0 H LEU A 19 0.939 -0.459 -4.510 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.666 -1.512 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.996 -1.668 -2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.692 -2.654 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 19 0.926 -0.921 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.215 0.617 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.526 0.997 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.480 0.176 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.755 -1.630 -0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.898 -2.211 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.486 -2.981 -1.448 1.00 0.00 H new ATOM 207 N GLU A 20 -3.054 0.406 -4.118 1.00 0.00 N ATOM 208 CA GLU A 20 -3.736 1.645 -3.883 1.00 0.00 C ATOM 209 C GLU A 20 -3.816 1.891 -2.402 1.00 0.00 C ATOM 210 O GLU A 20 -4.271 1.039 -1.659 1.00 0.00 O ATOM 211 CB GLU A 20 -5.120 1.634 -4.491 1.00 0.00 C ATOM 212 CG GLU A 20 -5.129 1.552 -6.000 1.00 0.00 C ATOM 213 CD GLU A 20 -6.518 1.582 -6.542 1.00 0.00 C ATOM 214 OE1 GLU A 20 -7.208 0.577 -6.459 1.00 0.00 O ATOM 215 OE2 GLU A 20 -6.968 2.631 -7.052 1.00 0.00 O ATOM 0 H GLU A 20 -3.600 -0.438 -3.944 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.176 2.450 -4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.676 0.787 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.648 2.537 -4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.558 2.383 -6.414 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.633 0.635 -6.318 1.00 0.00 H new ATOM 222 N ALA A 21 -3.322 3.001 -1.967 1.00 0.00 N ATOM 223 CA ALA A 21 -3.415 3.359 -0.577 1.00 0.00 C ATOM 224 C ALA A 21 -4.254 4.596 -0.462 1.00 0.00 C ATOM 225 O ALA A 21 -4.185 5.442 -1.326 1.00 0.00 O ATOM 226 CB ALA A 21 -2.037 3.597 0.009 1.00 0.00 C ATOM 0 H ALA A 21 -2.845 3.686 -2.553 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.875 2.544 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.131 3.867 1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.441 2.689 -0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.547 4.407 -0.531 1.00 0.00 H new ATOM 232 N LEU A 22 -5.056 4.689 0.564 1.00 0.00 N ATOM 233 CA LEU A 22 -5.882 5.840 0.777 1.00 0.00 C ATOM 234 C LEU A 22 -5.250 6.656 1.834 1.00 0.00 C ATOM 235 O LEU A 22 -4.595 6.105 2.711 1.00 0.00 O ATOM 236 CB LEU A 22 -7.352 5.453 1.172 1.00 0.00 C ATOM 237 CG LEU A 22 -8.478 6.543 1.129 1.00 0.00 C ATOM 238 CD1 LEU A 22 -9.832 5.913 1.352 1.00 0.00 C ATOM 239 CD2 LEU A 22 -8.302 7.635 2.154 1.00 0.00 C ATOM 0 H LEU A 22 -5.153 3.965 1.276 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.960 6.405 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.662 4.638 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.323 5.054 2.186 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.406 6.993 0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.602 6.684 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.023 5.176 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.850 5.424 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.118 8.353 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.309 7.200 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.352 8.143 1.986 1.00 0.00 H new ATOM 251 N ASP A 23 -5.307 7.952 1.627 1.00 0.00 N ATOM 252 CA ASP A 23 -5.002 9.013 2.638 1.00 0.00 C ATOM 253 C ASP A 23 -4.557 10.178 1.865 1.00 0.00 C ATOM 254 O ASP A 23 -4.848 10.226 0.629 1.00 0.00 O ATOM 255 CB ASP A 23 -3.882 8.654 3.638 1.00 0.00 C ATOM 256 CG ASP A 23 -4.014 9.331 5.018 1.00 0.00 C ATOM 257 OD1 ASP A 23 -3.826 10.561 5.116 1.00 0.00 O ATOM 258 OD2 ASP A 23 -4.305 8.646 6.006 1.00 0.00 O ATOM 0 H ASP A 23 -5.575 8.341 0.723 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.897 9.173 3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.870 7.573 3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.922 8.930 3.203 1.00 0.00 H new ATOM 263 N TYR A 24 -3.950 11.132 2.579 1.00 0.00 N ATOM 264 CA TYR A 24 -3.255 12.318 2.112 1.00 0.00 C ATOM 265 C TYR A 24 -4.158 13.283 1.331 1.00 0.00 C ATOM 266 O TYR A 24 -4.220 14.475 1.613 1.00 0.00 O ATOM 267 CB TYR A 24 -2.016 11.890 1.330 1.00 0.00 C ATOM 268 CG TYR A 24 -0.992 12.972 1.192 1.00 0.00 C ATOM 269 CD1 TYR A 24 -0.142 13.267 2.243 1.00 0.00 C ATOM 270 CD2 TYR A 24 -0.891 13.711 0.044 1.00 0.00 C ATOM 271 CE1 TYR A 24 0.786 14.284 2.136 1.00 0.00 C ATOM 272 CE2 TYR A 24 0.015 14.726 -0.074 1.00 0.00 C ATOM 273 CZ TYR A 24 0.851 15.013 0.966 1.00 0.00 C ATOM 274 OH TYR A 24 1.740 16.055 0.843 1.00 0.00 O ATOM 0 H TYR A 24 -3.937 11.080 3.598 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.939 12.899 2.979 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -1.562 11.032 1.826 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -2.320 11.560 0.337 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.205 12.696 3.157 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.543 13.486 -0.787 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.452 14.506 2.957 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.070 15.300 -0.987 1.00 0.00 H new ATOM 0 HH TYR A 24 2.530 15.878 1.395 1.00 0.00 H new ATOM 284 N LEU A 25 -4.807 12.762 0.356 1.00 0.00 N ATOM 285 CA LEU A 25 -5.756 13.462 -0.457 1.00 0.00 C ATOM 286 C LEU A 25 -7.099 12.787 -0.235 1.00 0.00 C ATOM 287 O LEU A 25 -8.127 13.256 -0.720 1.00 0.00 O ATOM 288 CB LEU A 25 -5.428 13.293 -1.972 1.00 0.00 C ATOM 289 CG LEU A 25 -3.973 13.407 -2.467 1.00 0.00 C ATOM 290 CD1 LEU A 25 -3.328 14.652 -1.944 1.00 0.00 C ATOM 291 CD2 LEU A 25 -3.147 12.149 -2.146 1.00 0.00 C ATOM 0 H LEU A 25 -4.691 11.786 0.082 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.745 14.520 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.797 12.313 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.013 14.036 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.002 13.481 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.302 14.710 -2.307 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.885 15.523 -2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.327 14.631 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.129 12.278 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.125 11.993 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.601 11.283 -2.628 1.00 0.00 H new ATOM 303 N GLN A 26 -7.058 11.642 0.503 1.00 0.00 N ATOM 304 CA GLN A 26 -8.184 10.739 0.646 1.00 0.00 C ATOM 305 C GLN A 26 -8.398 10.067 -0.640 1.00 0.00 C ATOM 306 O GLN A 26 -9.514 9.702 -1.027 1.00 0.00 O ATOM 307 CB GLN A 26 -9.435 11.390 1.205 1.00 0.00 C ATOM 308 CG GLN A 26 -9.474 11.394 2.711 1.00 0.00 C ATOM 309 CD GLN A 26 -8.220 11.944 3.342 1.00 0.00 C ATOM 310 OE1 GLN A 26 -7.267 11.079 3.597 1.00 0.00 O flip ATOM 311 NE2 GLN A 26 -8.107 13.139 3.591 1.00 0.00 N flip ATOM 0 H GLN A 26 -6.227 11.338 1.010 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.941 9.996 1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.497 12.416 0.843 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.312 10.865 0.826 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.328 11.985 3.043 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.633 10.376 3.065 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.872 13.779 3.377 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -7.248 13.493 4.012 1.00 0.00 H new ATOM 320 N LYS A 27 -7.277 9.837 -1.270 1.00 0.00 N ATOM 321 CA LYS A 27 -7.228 9.200 -2.530 1.00 0.00 C ATOM 322 C LYS A 27 -6.711 7.878 -2.350 1.00 0.00 C ATOM 323 O LYS A 27 -6.099 7.616 -1.312 1.00 0.00 O ATOM 324 CB LYS A 27 -6.299 9.903 -3.495 1.00 0.00 C ATOM 325 CG LYS A 27 -6.859 11.129 -4.069 1.00 0.00 C ATOM 326 CD LYS A 27 -5.988 11.622 -5.215 1.00 0.00 C ATOM 327 CE LYS A 27 -6.648 12.747 -5.979 1.00 0.00 C ATOM 328 NZ LYS A 27 -7.883 12.299 -6.656 1.00 0.00 N ATOM 0 H LYS A 27 -6.362 10.098 -0.902 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.239 9.209 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.370 10.146 -2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.044 9.218 -4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.871 10.941 -4.427 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.930 11.899 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.030 11.962 -4.823 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.779 10.795 -5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.884 13.562 -5.295 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.951 13.143 -6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.130 12.972 -7.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.730 11.357 -7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.660 12.252 -5.966 1.00 0.00 H new ATOM 342 N TRP A 28 -6.962 7.060 -3.327 1.00 0.00 N ATOM 343 CA TRP A 28 -6.378 5.784 -3.449 1.00 0.00 C ATOM 344 C TRP A 28 -5.273 5.945 -4.466 1.00 0.00 C ATOM 345 O TRP A 28 -5.499 5.933 -5.679 1.00 0.00 O ATOM 346 CB TRP A 28 -7.393 4.767 -3.916 1.00 0.00 C ATOM 347 CG TRP A 28 -8.529 4.543 -2.962 1.00 0.00 C ATOM 348 CD1 TRP A 28 -9.731 5.182 -2.937 1.00 0.00 C ATOM 349 CD2 TRP A 28 -8.551 3.609 -1.893 1.00 0.00 C ATOM 350 NE1 TRP A 28 -10.520 4.650 -1.943 1.00 0.00 N ATOM 351 CE2 TRP A 28 -9.808 3.684 -1.284 1.00 0.00 C ATOM 352 CE3 TRP A 28 -7.630 2.711 -1.407 1.00 0.00 C ATOM 353 CZ2 TRP A 28 -10.163 2.869 -0.203 1.00 0.00 C ATOM 354 CZ3 TRP A 28 -7.969 1.916 -0.343 1.00 0.00 C ATOM 355 CH2 TRP A 28 -9.220 1.988 0.251 1.00 0.00 C ATOM 0 H TRP A 28 -7.607 7.284 -4.085 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.999 5.422 -2.493 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.798 5.090 -4.875 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.886 3.818 -4.087 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.021 5.985 -3.598 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -11.478 4.929 -1.732 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -6.652 2.633 -1.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -11.140 2.933 0.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.243 1.215 0.043 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -9.453 1.340 1.083 1.00 0.00 H new ATOM 366 N TYR A 29 -4.128 6.222 -3.970 1.00 0.00 N ATOM 367 CA TYR A 29 -2.977 6.555 -4.760 1.00 0.00 C ATOM 368 C TYR A 29 -2.026 5.378 -4.842 1.00 0.00 C ATOM 369 O TYR A 29 -1.854 4.635 -3.851 1.00 0.00 O ATOM 370 CB TYR A 29 -2.314 7.837 -4.181 1.00 0.00 C ATOM 371 CG TYR A 29 -2.164 7.798 -2.680 1.00 0.00 C ATOM 372 CD1 TYR A 29 -1.048 7.269 -2.057 1.00 0.00 C ATOM 373 CD2 TYR A 29 -3.172 8.280 -1.894 1.00 0.00 C ATOM 374 CE1 TYR A 29 -0.962 7.227 -0.688 1.00 0.00 C ATOM 375 CE2 TYR A 29 -3.102 8.241 -0.543 1.00 0.00 C ATOM 376 CZ TYR A 29 -1.991 7.710 0.066 1.00 0.00 C ATOM 377 OH TYR A 29 -1.909 7.663 1.432 1.00 0.00 O ATOM 0 H TYR A 29 -3.946 6.227 -2.966 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.274 6.773 -5.786 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.332 7.968 -4.635 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.912 8.705 -4.458 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.235 6.885 -2.655 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.048 8.703 -2.363 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.085 6.814 -0.211 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.916 8.626 0.054 1.00 0.00 H new ATOM 0 HH TYR A 29 -1.221 8.290 1.740 1.00 0.00 H new ATOM 387 N PRO A 30 -1.441 5.150 -6.032 1.00 0.00 N ATOM 388 CA PRO A 30 -0.510 4.050 -6.265 1.00 0.00 C ATOM 389 C PRO A 30 0.705 4.143 -5.357 1.00 0.00 C ATOM 390 O PRO A 30 1.523 5.052 -5.478 1.00 0.00 O ATOM 391 CB PRO A 30 -0.100 4.211 -7.735 1.00 0.00 C ATOM 392 CG PRO A 30 -1.184 5.030 -8.340 1.00 0.00 C ATOM 393 CD PRO A 30 -1.648 5.949 -7.256 1.00 0.00 C ATOM 0 HA PRO A 30 -0.962 3.081 -6.053 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.867 4.705 -7.825 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.011 3.244 -8.230 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.818 5.591 -9.199 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.999 4.400 -8.695 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.071 6.874 -7.237 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -2.694 6.228 -7.384 1.00 0.00 H new ATOM 401 N SER A 31 0.788 3.234 -4.450 1.00 0.00 N ATOM 402 CA SER A 31 1.842 3.179 -3.489 1.00 0.00 C ATOM 403 C SER A 31 2.580 1.865 -3.666 1.00 0.00 C ATOM 404 O SER A 31 1.989 0.887 -4.051 1.00 0.00 O ATOM 405 CB SER A 31 1.226 3.308 -2.121 1.00 0.00 C ATOM 406 OG SER A 31 0.466 4.501 -2.047 1.00 0.00 O ATOM 0 H SER A 31 0.105 2.483 -4.350 1.00 0.00 H new ATOM 0 HA SER A 31 2.562 3.987 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.589 2.447 -1.916 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.006 3.315 -1.360 1.00 0.00 H new ATOM 0 HG SER A 31 -0.356 4.398 -2.571 1.00 0.00 H new ATOM 412 N ARG A 32 3.842 1.830 -3.394 1.00 0.00 N ATOM 413 CA ARG A 32 4.621 0.653 -3.740 1.00 0.00 C ATOM 414 C ARG A 32 4.894 -0.244 -2.565 1.00 0.00 C ATOM 415 O ARG A 32 5.266 0.220 -1.494 1.00 0.00 O ATOM 416 CB ARG A 32 5.935 1.066 -4.375 1.00 0.00 C ATOM 417 CG ARG A 32 5.771 1.803 -5.669 1.00 0.00 C ATOM 418 CD ARG A 32 7.097 2.111 -6.361 1.00 0.00 C ATOM 419 NE ARG A 32 6.897 2.640 -7.721 1.00 0.00 N ATOM 420 CZ ARG A 32 7.146 3.908 -8.122 1.00 0.00 C ATOM 421 NH1 ARG A 32 7.708 4.782 -7.290 1.00 0.00 N ATOM 422 NH2 ARG A 32 6.895 4.264 -9.372 1.00 0.00 N ATOM 0 H ARG A 32 4.363 2.581 -2.941 1.00 0.00 H new ATOM 0 HA ARG A 32 4.019 0.082 -4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.485 1.695 -3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.541 0.176 -4.548 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.148 1.211 -6.340 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.241 2.737 -5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.656 2.835 -5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.700 1.205 -6.409 1.00 0.00 H new ATOM 0 HE ARG A 32 6.539 1.993 -8.423 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.954 4.498 -6.342 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.892 5.736 -7.601 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.515 3.583 -10.030 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.082 5.219 -9.678 1.00 0.00 H new ATOM 436 N ILE A 33 4.718 -1.522 -2.777 1.00 0.00 N ATOM 437 CA ILE A 33 5.024 -2.517 -1.779 1.00 0.00 C ATOM 438 C ILE A 33 6.537 -2.692 -1.705 1.00 0.00 C ATOM 439 O ILE A 33 7.177 -2.973 -2.707 1.00 0.00 O ATOM 440 CB ILE A 33 4.386 -3.885 -2.121 1.00 0.00 C ATOM 441 CG1 ILE A 33 2.872 -3.747 -2.323 1.00 0.00 C ATOM 442 CG2 ILE A 33 4.679 -4.859 -1.006 1.00 0.00 C ATOM 443 CD1 ILE A 33 2.162 -5.042 -2.689 1.00 0.00 C ATOM 0 H ILE A 33 4.357 -1.905 -3.651 1.00 0.00 H new ATOM 0 HA ILE A 33 4.619 -2.177 -0.826 1.00 0.00 H new ATOM 0 HB ILE A 33 4.814 -4.255 -3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.431 -3.352 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.689 -3.013 -3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.232 -5.825 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.757 -4.974 -0.898 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.259 -4.482 -0.074 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.096 -4.850 -2.812 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.571 -5.430 -3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.309 -5.775 -1.895 1.00 0.00 H new ATOM 455 N GLU A 34 7.092 -2.509 -0.545 1.00 0.00 N ATOM 456 CA GLU A 34 8.515 -2.638 -0.347 1.00 0.00 C ATOM 457 C GLU A 34 8.829 -4.018 0.260 1.00 0.00 C ATOM 458 O GLU A 34 9.897 -4.601 0.020 1.00 0.00 O ATOM 459 CB GLU A 34 8.976 -1.513 0.582 1.00 0.00 C ATOM 460 CG GLU A 34 10.475 -1.348 0.718 1.00 0.00 C ATOM 461 CD GLU A 34 11.154 -1.180 -0.612 1.00 0.00 C ATOM 462 OE1 GLU A 34 10.713 -0.336 -1.428 1.00 0.00 O ATOM 463 OE2 GLU A 34 12.145 -1.887 -0.876 1.00 0.00 O ATOM 0 H GLU A 34 6.573 -2.265 0.299 1.00 0.00 H new ATOM 0 HA GLU A 34 9.044 -2.559 -1.297 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.557 -0.574 0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.557 -1.690 1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.687 -0.481 1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.889 -2.218 1.227 1.00 0.00 H new ATOM 470 N LYS A 35 7.879 -4.546 1.020 1.00 0.00 N ATOM 471 CA LYS A 35 8.022 -5.841 1.664 1.00 0.00 C ATOM 472 C LYS A 35 6.630 -6.323 2.036 1.00 0.00 C ATOM 473 O LYS A 35 5.754 -5.490 2.278 1.00 0.00 O ATOM 474 CB LYS A 35 8.850 -5.685 2.936 1.00 0.00 C ATOM 475 CG LYS A 35 9.334 -6.992 3.525 1.00 0.00 C ATOM 476 CD LYS A 35 10.083 -6.754 4.810 1.00 0.00 C ATOM 477 CE LYS A 35 10.675 -8.036 5.347 1.00 0.00 C ATOM 478 NZ LYS A 35 11.344 -7.820 6.632 1.00 0.00 N ATOM 0 H LYS A 35 6.988 -4.087 1.206 1.00 0.00 H new ATOM 0 HA LYS A 35 8.516 -6.549 0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.713 -5.055 2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.253 -5.162 3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.485 -7.649 3.710 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.981 -7.501 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.877 -6.027 4.641 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.410 -6.324 5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.887 -8.780 5.466 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.388 -8.439 4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.739 -8.719 6.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.111 -7.128 6.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.657 -7.459 7.325 1.00 0.00 H new ATOM 492 N ILE A 36 6.403 -7.625 2.081 1.00 0.00 N ATOM 493 CA ILE A 36 5.079 -8.127 2.430 1.00 0.00 C ATOM 494 C ILE A 36 5.161 -9.085 3.611 1.00 0.00 C ATOM 495 O ILE A 36 6.079 -9.900 3.704 1.00 0.00 O ATOM 496 CB ILE A 36 4.383 -8.866 1.238 1.00 0.00 C ATOM 497 CG1 ILE A 36 4.337 -7.977 0.006 1.00 0.00 C ATOM 498 CG2 ILE A 36 2.962 -9.277 1.618 1.00 0.00 C ATOM 499 CD1 ILE A 36 3.653 -8.596 -1.192 1.00 0.00 C ATOM 0 H ILE A 36 7.100 -8.343 1.885 1.00 0.00 H new ATOM 0 HA ILE A 36 4.482 -7.253 2.690 1.00 0.00 H new ATOM 0 HB ILE A 36 4.967 -9.758 1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.824 -7.050 0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.357 -7.711 -0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.494 -9.789 0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.994 -9.946 2.478 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.382 -8.389 1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.667 -7.891 -2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 36 4.177 -9.507 -1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.621 -8.836 -0.938 1.00 0.00 H new ATOM 511 N ASP A 37 4.233 -8.951 4.515 1.00 0.00 N ATOM 512 CA ASP A 37 4.071 -9.872 5.610 1.00 0.00 C ATOM 513 C ASP A 37 2.802 -10.619 5.314 1.00 0.00 C ATOM 514 O ASP A 37 1.757 -10.020 5.196 1.00 0.00 O ATOM 515 CB ASP A 37 3.961 -9.149 6.953 1.00 0.00 C ATOM 516 CG ASP A 37 3.941 -10.118 8.095 1.00 0.00 C ATOM 517 OD1 ASP A 37 5.013 -10.598 8.498 1.00 0.00 O ATOM 518 OD2 ASP A 37 2.865 -10.382 8.624 1.00 0.00 O ATOM 0 H ASP A 37 3.556 -8.188 4.514 1.00 0.00 H new ATOM 0 HA ASP A 37 4.934 -10.532 5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 37 4.801 -8.464 7.069 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.053 -8.546 6.970 1.00 0.00 H new ATOM 523 N TYR A 38 2.883 -11.888 5.213 1.00 0.00 N ATOM 524 CA TYR A 38 1.799 -12.682 4.692 1.00 0.00 C ATOM 525 C TYR A 38 1.042 -13.310 5.839 1.00 0.00 C ATOM 526 O TYR A 38 -0.139 -13.620 5.722 1.00 0.00 O ATOM 527 CB TYR A 38 2.348 -13.800 3.783 1.00 0.00 C ATOM 528 CG TYR A 38 3.547 -13.410 2.920 1.00 0.00 C ATOM 529 CD1 TYR A 38 3.389 -12.841 1.662 1.00 0.00 C ATOM 530 CD2 TYR A 38 4.842 -13.626 3.378 1.00 0.00 C ATOM 531 CE1 TYR A 38 4.493 -12.497 0.889 1.00 0.00 C ATOM 532 CE2 TYR A 38 5.939 -13.290 2.619 1.00 0.00 C ATOM 533 CZ TYR A 38 5.765 -12.726 1.378 1.00 0.00 C ATOM 534 OH TYR A 38 6.881 -12.397 0.617 1.00 0.00 O ATOM 0 H TYR A 38 3.704 -12.428 5.487 1.00 0.00 H new ATOM 0 HA TYR A 38 1.137 -12.039 4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.631 -14.647 4.408 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.546 -14.140 3.129 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.395 -12.663 1.279 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.990 -14.068 4.352 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.357 -12.054 -0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.935 -13.469 2.997 1.00 0.00 H new ATOM 0 HH TYR A 38 7.694 -12.624 1.114 1.00 0.00 H new ATOM 544 N GLU A 39 1.743 -13.499 6.948 1.00 0.00 N ATOM 545 CA GLU A 39 1.175 -14.108 8.128 1.00 0.00 C ATOM 546 C GLU A 39 0.146 -13.191 8.755 1.00 0.00 C ATOM 547 O GLU A 39 -1.005 -13.584 8.957 1.00 0.00 O ATOM 548 CB GLU A 39 2.270 -14.441 9.137 1.00 0.00 C ATOM 549 CG GLU A 39 1.768 -15.145 10.384 1.00 0.00 C ATOM 550 CD GLU A 39 1.087 -16.446 10.067 1.00 0.00 C ATOM 551 OE1 GLU A 39 1.772 -17.479 9.995 1.00 0.00 O ATOM 552 OE2 GLU A 39 -0.148 -16.460 9.861 1.00 0.00 O ATOM 0 H GLU A 39 2.722 -13.232 7.048 1.00 0.00 H new ATOM 0 HA GLU A 39 0.681 -15.034 7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.017 -15.070 8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.772 -13.519 9.430 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.606 -15.330 11.057 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.073 -14.493 10.912 1.00 0.00 H new ATOM 559 N GLU A 40 0.551 -11.973 9.046 1.00 0.00 N ATOM 560 CA GLU A 40 -0.334 -11.005 9.653 1.00 0.00 C ATOM 561 C GLU A 40 -1.129 -10.387 8.531 1.00 0.00 C ATOM 562 O GLU A 40 -2.284 -9.969 8.697 1.00 0.00 O ATOM 563 CB GLU A 40 0.495 -9.922 10.315 1.00 0.00 C ATOM 564 CG GLU A 40 -0.257 -8.971 11.193 1.00 0.00 C ATOM 565 CD GLU A 40 -0.625 -9.602 12.508 1.00 0.00 C ATOM 566 OE1 GLU A 40 0.237 -9.639 13.409 1.00 0.00 O ATOM 567 OE2 GLU A 40 -1.758 -10.082 12.664 1.00 0.00 O ATOM 0 H GLU A 40 1.495 -11.629 8.870 1.00 0.00 H new ATOM 0 HA GLU A 40 -0.980 -11.470 10.397 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.273 -10.399 10.911 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.997 -9.348 9.536 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.350 -8.083 11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.161 -8.641 10.682 1.00 0.00 H new ATOM 574 N GLY A 41 -0.486 -10.361 7.385 1.00 0.00 N ATOM 575 CA GLY A 41 -1.057 -9.812 6.217 1.00 0.00 C ATOM 576 C GLY A 41 -0.937 -8.321 6.216 1.00 0.00 C ATOM 577 O GLY A 41 -1.923 -7.587 6.330 1.00 0.00 O ATOM 0 H GLY A 41 0.457 -10.729 7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.561 -10.222 5.337 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.107 -10.097 6.152 1.00 0.00 H new ATOM 581 N LYS A 42 0.283 -7.883 6.103 1.00 0.00 N ATOM 582 CA LYS A 42 0.633 -6.494 6.129 1.00 0.00 C ATOM 583 C LYS A 42 1.598 -6.265 5.013 1.00 0.00 C ATOM 584 O LYS A 42 2.179 -7.213 4.501 1.00 0.00 O ATOM 585 CB LYS A 42 1.392 -6.132 7.417 1.00 0.00 C ATOM 586 CG LYS A 42 0.759 -6.559 8.718 1.00 0.00 C ATOM 587 CD LYS A 42 1.534 -5.997 9.905 1.00 0.00 C ATOM 588 CE LYS A 42 2.994 -6.473 9.964 1.00 0.00 C ATOM 589 NZ LYS A 42 3.146 -7.920 10.277 1.00 0.00 N ATOM 0 H LYS A 42 1.085 -8.502 5.987 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.279 -5.902 6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.387 -6.574 7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.524 -5.050 7.442 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.274 -6.214 8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.734 -7.647 8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.517 -4.908 9.858 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.029 -6.284 10.827 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.472 -6.267 9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.525 -5.891 10.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.154 -8.145 10.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.633 -8.141 11.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.758 -8.487 9.496 1.00 0.00 H new ATOM 603 N MET A 43 1.790 -5.061 4.638 1.00 0.00 N ATOM 604 CA MET A 43 2.824 -4.772 3.720 1.00 0.00 C ATOM 605 C MET A 43 3.520 -3.523 4.163 1.00 0.00 C ATOM 606 O MET A 43 2.900 -2.639 4.800 1.00 0.00 O ATOM 607 CB MET A 43 2.341 -4.641 2.248 1.00 0.00 C ATOM 608 CG MET A 43 1.661 -3.320 1.868 1.00 0.00 C ATOM 609 SD MET A 43 0.098 -3.004 2.706 1.00 0.00 S ATOM 610 CE MET A 43 -0.883 -4.382 2.133 1.00 0.00 C ATOM 0 H MET A 43 1.246 -4.257 4.951 1.00 0.00 H new ATOM 0 HA MET A 43 3.510 -5.619 3.721 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.200 -4.784 1.593 1.00 0.00 H new ATOM 0 HB3 MET A 43 1.645 -5.455 2.043 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.345 -2.500 2.085 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.488 -3.314 0.792 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.888 -4.037 1.890 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.422 -4.812 1.244 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.939 -5.139 2.915 1.00 0.00 H new ATOM 620 N LEU A 44 4.805 -3.484 3.916 1.00 0.00 N ATOM 621 CA LEU A 44 5.571 -2.308 4.131 1.00 0.00 C ATOM 622 C LEU A 44 5.405 -1.553 2.860 1.00 0.00 C ATOM 623 O LEU A 44 5.957 -1.929 1.824 1.00 0.00 O ATOM 624 CB LEU A 44 7.069 -2.639 4.408 1.00 0.00 C ATOM 625 CG LEU A 44 8.004 -1.481 4.910 1.00 0.00 C ATOM 626 CD1 LEU A 44 8.220 -0.395 3.877 1.00 0.00 C ATOM 627 CD2 LEU A 44 7.485 -0.875 6.197 1.00 0.00 C ATOM 0 H LEU A 44 5.340 -4.276 3.559 1.00 0.00 H new ATOM 0 HA LEU A 44 5.244 -1.745 5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.102 -3.438 5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.497 -3.038 3.489 1.00 0.00 H new ATOM 0 HG LEU A 44 8.973 -1.944 5.095 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.875 0.373 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.680 -0.825 2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.261 0.050 3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.154 -0.077 6.519 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.487 -0.468 6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.440 -1.643 6.969 1.00 0.00 H new ATOM 639 N VAL A 45 4.576 -0.597 2.898 1.00 0.00 N ATOM 640 CA VAL A 45 4.268 0.163 1.749 1.00 0.00 C ATOM 641 C VAL A 45 5.036 1.469 1.771 1.00 0.00 C ATOM 642 O VAL A 45 5.208 2.083 2.841 1.00 0.00 O ATOM 643 CB VAL A 45 2.726 0.379 1.616 1.00 0.00 C ATOM 644 CG1 VAL A 45 2.124 0.985 2.872 1.00 0.00 C ATOM 645 CG2 VAL A 45 2.388 1.218 0.402 1.00 0.00 C ATOM 0 H VAL A 45 4.078 -0.308 3.740 1.00 0.00 H new ATOM 0 HA VAL A 45 4.580 -0.388 0.862 1.00 0.00 H new ATOM 0 HB VAL A 45 2.282 -0.607 1.483 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.051 1.117 2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.302 0.321 3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.587 1.953 3.067 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.308 1.349 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.867 2.193 0.489 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.745 0.717 -0.498 1.00 0.00 H new ATOM 655 N HIS A 46 5.571 1.837 0.621 1.00 0.00 N ATOM 656 CA HIS A 46 6.256 3.078 0.482 1.00 0.00 C ATOM 657 C HIS A 46 5.415 4.002 -0.362 1.00 0.00 C ATOM 658 O HIS A 46 5.020 3.655 -1.495 1.00 0.00 O ATOM 659 CB HIS A 46 7.739 2.931 -0.023 1.00 0.00 C ATOM 660 CG HIS A 46 8.041 2.656 -1.466 1.00 0.00 C ATOM 661 ND1 HIS A 46 8.754 1.546 -1.877 1.00 0.00 N ATOM 662 CD2 HIS A 46 7.910 3.429 -2.554 1.00 0.00 C ATOM 663 CE1 HIS A 46 9.041 1.660 -3.139 1.00 0.00 C ATOM 664 NE2 HIS A 46 8.545 2.796 -3.581 1.00 0.00 N ATOM 0 H HIS A 46 5.535 1.276 -0.230 1.00 0.00 H new ATOM 0 HA HIS A 46 6.377 3.522 1.470 1.00 0.00 H new ATOM 0 HB2 HIS A 46 8.259 3.852 0.242 1.00 0.00 H new ATOM 0 HB3 HIS A 46 8.195 2.129 0.557 1.00 0.00 H new ATOM 0 HD1 HIS A 46 9.014 0.759 -1.282 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.396 4.378 -2.607 1.00 0.00 H new ATOM 0 HE1 HIS A 46 9.594 0.943 -3.727 1.00 0.00 H new ATOM 673 N PHE A 47 5.108 5.123 0.193 1.00 0.00 N ATOM 674 CA PHE A 47 4.233 6.082 -0.428 1.00 0.00 C ATOM 675 C PHE A 47 5.061 7.138 -1.129 1.00 0.00 C ATOM 676 O PHE A 47 6.212 7.386 -0.748 1.00 0.00 O ATOM 677 CB PHE A 47 3.375 6.782 0.631 1.00 0.00 C ATOM 678 CG PHE A 47 2.576 5.890 1.552 1.00 0.00 C ATOM 679 CD1 PHE A 47 3.167 5.320 2.671 1.00 0.00 C ATOM 680 CD2 PHE A 47 1.233 5.660 1.326 1.00 0.00 C ATOM 681 CE1 PHE A 47 2.436 4.541 3.536 1.00 0.00 C ATOM 682 CE2 PHE A 47 0.497 4.875 2.187 1.00 0.00 C ATOM 683 CZ PHE A 47 1.097 4.317 3.293 1.00 0.00 C ATOM 0 H PHE A 47 5.459 5.413 1.106 1.00 0.00 H new ATOM 0 HA PHE A 47 3.593 5.557 -1.137 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.029 7.404 1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.683 7.452 0.121 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.216 5.491 2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.754 6.101 0.464 1.00 0.00 H new ATOM 0 HE1 PHE A 47 2.909 4.105 4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.551 4.698 1.994 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.520 3.704 3.970 1.00 0.00 H new ATOM 693 N GLU A 48 4.504 7.732 -2.147 1.00 0.00 N ATOM 694 CA GLU A 48 5.138 8.831 -2.821 1.00 0.00 C ATOM 695 C GLU A 48 4.733 10.127 -2.129 1.00 0.00 C ATOM 696 O GLU A 48 5.592 10.886 -1.658 1.00 0.00 O ATOM 697 CB GLU A 48 4.772 8.864 -4.308 1.00 0.00 C ATOM 698 CG GLU A 48 5.256 7.654 -5.095 1.00 0.00 C ATOM 699 CD GLU A 48 4.935 7.762 -6.562 1.00 0.00 C ATOM 700 OE1 GLU A 48 5.649 8.491 -7.284 1.00 0.00 O ATOM 701 OE2 GLU A 48 3.973 7.123 -7.026 1.00 0.00 O ATOM 0 H GLU A 48 3.598 7.468 -2.533 1.00 0.00 H new ATOM 0 HA GLU A 48 6.220 8.709 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.689 8.936 -4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.191 9.766 -4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.333 7.548 -4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.797 6.752 -4.690 1.00 0.00 H new ATOM 708 N ARG A 49 3.432 10.355 -2.040 1.00 0.00 N ATOM 709 CA ARG A 49 2.888 11.522 -1.368 1.00 0.00 C ATOM 710 C ARG A 49 2.561 11.160 0.077 1.00 0.00 C ATOM 711 O ARG A 49 1.512 10.593 0.356 1.00 0.00 O ATOM 712 CB ARG A 49 1.631 12.024 -2.097 1.00 0.00 C ATOM 713 CG ARG A 49 1.874 12.420 -3.549 1.00 0.00 C ATOM 714 CD ARG A 49 2.791 13.624 -3.658 1.00 0.00 C ATOM 715 NE ARG A 49 2.162 14.846 -3.153 1.00 0.00 N ATOM 716 CZ ARG A 49 2.786 15.838 -2.518 1.00 0.00 C ATOM 717 NH1 ARG A 49 4.086 15.763 -2.246 1.00 0.00 N ATOM 718 NH2 ARG A 49 2.106 16.914 -2.165 1.00 0.00 N ATOM 0 H ARG A 49 2.724 9.735 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 49 3.626 12.324 -1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.870 11.245 -2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.230 12.883 -1.559 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.312 11.579 -4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.921 12.644 -4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.708 13.432 -3.100 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.076 13.768 -4.700 1.00 0.00 H new ATOM 0 HE ARG A 49 1.158 14.947 -3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.618 14.939 -2.524 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.550 16.530 -1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.111 16.981 -2.379 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.576 17.678 -1.679 1.00 0.00 H new ATOM 732 N TRP A 50 3.482 11.468 0.968 1.00 0.00 N ATOM 733 CA TRP A 50 3.395 11.109 2.376 1.00 0.00 C ATOM 734 C TRP A 50 4.470 11.937 3.077 1.00 0.00 C ATOM 735 O TRP A 50 5.654 11.822 2.737 1.00 0.00 O ATOM 736 CB TRP A 50 3.695 9.597 2.487 1.00 0.00 C ATOM 737 CG TRP A 50 3.261 8.886 3.747 1.00 0.00 C ATOM 738 CD1 TRP A 50 4.059 8.227 4.631 1.00 0.00 C ATOM 739 CD2 TRP A 50 1.919 8.713 4.224 1.00 0.00 C ATOM 740 NE1 TRP A 50 3.304 7.664 5.628 1.00 0.00 N ATOM 741 CE2 TRP A 50 1.995 7.951 5.407 1.00 0.00 C ATOM 742 CE3 TRP A 50 0.667 9.131 3.774 1.00 0.00 C ATOM 743 CZ2 TRP A 50 0.872 7.596 6.142 1.00 0.00 C ATOM 744 CZ3 TRP A 50 -0.447 8.776 4.506 1.00 0.00 C ATOM 745 CH2 TRP A 50 -0.336 8.014 5.679 1.00 0.00 C ATOM 0 H TRP A 50 4.329 11.985 0.733 1.00 0.00 H new ATOM 0 HA TRP A 50 2.419 11.302 2.821 1.00 0.00 H new ATOM 0 HB2 TRP A 50 3.222 9.098 1.641 1.00 0.00 H new ATOM 0 HB3 TRP A 50 4.771 9.460 2.378 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.134 8.157 4.558 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.667 7.118 6.409 1.00 0.00 H new ATOM 0 HE3 TRP A 50 0.572 9.719 2.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.955 7.011 7.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -1.424 9.091 4.170 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.230 7.754 6.226 1.00 0.00 H new ATOM 756 N SER A 51 4.081 12.797 3.988 1.00 0.00 N ATOM 757 CA SER A 51 5.025 13.713 4.608 1.00 0.00 C ATOM 758 C SER A 51 5.597 13.144 5.908 1.00 0.00 C ATOM 759 O SER A 51 6.805 13.244 6.169 1.00 0.00 O ATOM 760 CB SER A 51 4.351 15.061 4.848 1.00 0.00 C ATOM 761 OG SER A 51 3.775 15.558 3.640 1.00 0.00 O ATOM 0 H SER A 51 3.121 12.886 4.320 1.00 0.00 H new ATOM 0 HA SER A 51 5.865 13.852 3.928 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.578 14.957 5.609 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.080 15.775 5.230 1.00 0.00 H new ATOM 0 HG SER A 51 3.346 16.422 3.813 1.00 0.00 H new ATOM 767 N HIS A 52 4.750 12.570 6.725 1.00 0.00 N ATOM 768 CA HIS A 52 5.204 11.927 7.948 1.00 0.00 C ATOM 769 C HIS A 52 5.597 10.556 7.557 1.00 0.00 C ATOM 770 O HIS A 52 4.716 9.797 7.155 1.00 0.00 O ATOM 771 CB HIS A 52 4.076 11.787 8.949 1.00 0.00 C ATOM 772 CG HIS A 52 4.529 11.404 10.331 1.00 0.00 C ATOM 773 ND1 HIS A 52 4.319 10.164 10.881 1.00 0.00 N ATOM 774 CD2 HIS A 52 5.165 12.122 11.277 1.00 0.00 C ATOM 775 CE1 HIS A 52 4.805 10.139 12.104 1.00 0.00 C ATOM 776 NE2 HIS A 52 5.324 11.318 12.367 1.00 0.00 N ATOM 0 H HIS A 52 3.742 12.531 6.572 1.00 0.00 H new ATOM 0 HA HIS A 52 6.006 12.512 8.398 1.00 0.00 H new ATOM 0 HB2 HIS A 52 3.534 12.731 9.004 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.374 11.036 8.587 1.00 0.00 H new ATOM 0 HD2 HIS A 52 5.490 13.148 11.188 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.781 9.294 12.777 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.772 11.587 13.243 1.00 0.00 H new ATOM 785 N ARG A 53 6.887 10.223 7.666 1.00 0.00 N ATOM 786 CA ARG A 53 7.380 8.924 7.227 1.00 0.00 C ATOM 787 C ARG A 53 7.259 8.805 5.696 1.00 0.00 C ATOM 788 O ARG A 53 6.897 9.770 5.012 1.00 0.00 O ATOM 789 CB ARG A 53 6.593 7.791 7.924 1.00 0.00 C ATOM 790 CG ARG A 53 7.048 7.399 9.311 1.00 0.00 C ATOM 791 CD ARG A 53 8.405 6.732 9.272 1.00 0.00 C ATOM 792 NE ARG A 53 8.770 6.168 10.572 1.00 0.00 N ATOM 793 CZ ARG A 53 9.186 4.904 10.756 1.00 0.00 C ATOM 794 NH1 ARG A 53 9.344 4.087 9.711 1.00 0.00 N ATOM 795 NH2 ARG A 53 9.440 4.451 11.980 1.00 0.00 N ATOM 0 H ARG A 53 7.603 10.837 8.054 1.00 0.00 H new ATOM 0 HA ARG A 53 8.431 8.832 7.501 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.546 8.090 7.982 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.637 6.906 7.289 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.093 8.284 9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.320 6.722 9.758 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.400 5.942 8.521 1.00 0.00 H new ATOM 0 HD3 ARG A 53 9.158 7.458 8.966 1.00 0.00 H new ATOM 0 HE ARG A 53 8.704 6.773 11.391 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.149 4.422 8.768 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.660 3.128 9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.319 5.064 12.786 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.756 3.490 12.113 1.00 0.00 H new ATOM 809 N TYR A 54 7.634 7.677 5.161 1.00 0.00 N ATOM 810 CA TYR A 54 7.409 7.406 3.744 1.00 0.00 C ATOM 811 C TYR A 54 7.061 5.936 3.575 1.00 0.00 C ATOM 812 O TYR A 54 6.698 5.476 2.495 1.00 0.00 O ATOM 813 CB TYR A 54 8.652 7.768 2.892 1.00 0.00 C ATOM 814 CG TYR A 54 9.863 6.868 3.090 1.00 0.00 C ATOM 815 CD1 TYR A 54 10.758 7.084 4.122 1.00 0.00 C ATOM 816 CD2 TYR A 54 10.102 5.800 2.228 1.00 0.00 C ATOM 817 CE1 TYR A 54 11.852 6.263 4.297 1.00 0.00 C ATOM 818 CE2 TYR A 54 11.193 4.977 2.396 1.00 0.00 C ATOM 819 CZ TYR A 54 12.063 5.211 3.431 1.00 0.00 C ATOM 820 OH TYR A 54 13.159 4.385 3.607 1.00 0.00 O ATOM 0 H TYR A 54 8.096 6.924 5.671 1.00 0.00 H new ATOM 0 HA TYR A 54 6.585 8.027 3.393 1.00 0.00 H new ATOM 0 HB2 TYR A 54 8.370 7.743 1.839 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.942 8.794 3.120 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.598 7.908 4.801 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.419 5.614 1.413 1.00 0.00 H new ATOM 0 HE1 TYR A 54 12.541 6.443 5.109 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.363 4.153 1.718 1.00 0.00 H new ATOM 0 HH TYR A 54 13.161 3.693 2.914 1.00 0.00 H new ATOM 830 N ASP A 55 7.151 5.228 4.676 1.00 0.00 N ATOM 831 CA ASP A 55 6.978 3.804 4.734 1.00 0.00 C ATOM 832 C ASP A 55 6.057 3.492 5.885 1.00 0.00 C ATOM 833 O ASP A 55 6.033 4.249 6.886 1.00 0.00 O ATOM 834 CB ASP A 55 8.351 3.129 4.969 1.00 0.00 C ATOM 835 CG ASP A 55 8.970 3.429 6.345 1.00 0.00 C ATOM 836 OD1 ASP A 55 9.128 4.625 6.717 1.00 0.00 O ATOM 837 OD2 ASP A 55 9.351 2.481 7.066 1.00 0.00 O ATOM 0 H ASP A 55 7.354 5.646 5.584 1.00 0.00 H new ATOM 0 HA ASP A 55 6.555 3.432 3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.237 2.050 4.861 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.042 3.456 4.192 1.00 0.00 H new ATOM 842 N GLU A 56 5.266 2.450 5.756 1.00 0.00 N ATOM 843 CA GLU A 56 4.366 2.057 6.831 1.00 0.00 C ATOM 844 C GLU A 56 3.927 0.604 6.661 1.00 0.00 C ATOM 845 O GLU A 56 3.892 0.100 5.543 1.00 0.00 O ATOM 846 CB GLU A 56 3.133 3.002 6.855 1.00 0.00 C ATOM 847 CG GLU A 56 2.199 2.791 8.033 1.00 0.00 C ATOM 848 CD GLU A 56 2.937 2.848 9.340 1.00 0.00 C ATOM 849 OE1 GLU A 56 3.380 3.945 9.739 1.00 0.00 O ATOM 850 OE2 GLU A 56 3.140 1.796 9.961 1.00 0.00 O ATOM 0 H GLU A 56 5.223 1.859 4.925 1.00 0.00 H new ATOM 0 HA GLU A 56 4.893 2.140 7.781 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.483 4.034 6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.569 2.866 5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.419 3.553 8.021 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.703 1.825 7.936 1.00 0.00 H new ATOM 857 N TRP A 57 3.631 -0.063 7.770 1.00 0.00 N ATOM 858 CA TRP A 57 3.099 -1.413 7.737 1.00 0.00 C ATOM 859 C TRP A 57 1.622 -1.344 7.872 1.00 0.00 C ATOM 860 O TRP A 57 1.106 -1.031 8.962 1.00 0.00 O ATOM 861 CB TRP A 57 3.610 -2.296 8.878 1.00 0.00 C ATOM 862 CG TRP A 57 5.035 -2.714 8.779 1.00 0.00 C ATOM 863 CD1 TRP A 57 6.096 -2.155 9.416 1.00 0.00 C ATOM 864 CD2 TRP A 57 5.557 -3.794 7.997 1.00 0.00 C ATOM 865 NE1 TRP A 57 7.244 -2.819 9.082 1.00 0.00 N ATOM 866 CE2 TRP A 57 6.944 -3.826 8.209 1.00 0.00 C ATOM 867 CE3 TRP A 57 4.986 -4.735 7.137 1.00 0.00 C ATOM 868 CZ2 TRP A 57 7.772 -4.759 7.594 1.00 0.00 C ATOM 869 CZ3 TRP A 57 5.808 -5.660 6.525 1.00 0.00 C ATOM 870 CH2 TRP A 57 7.184 -5.665 6.755 1.00 0.00 C ATOM 0 H TRP A 57 3.753 0.316 8.709 1.00 0.00 H new ATOM 0 HA TRP A 57 3.422 -1.852 6.793 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.471 -1.761 9.818 1.00 0.00 H new ATOM 0 HB3 TRP A 57 2.990 -3.191 8.926 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.041 -1.311 10.087 1.00 0.00 H new ATOM 0 HE1 TRP A 57 8.177 -2.597 9.430 1.00 0.00 H new ATOM 0 HE3 TRP A 57 3.922 -4.739 6.954 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 8.837 -4.768 7.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.379 -6.392 5.857 1.00 0.00 H new ATOM 0 HH2 TRP A 57 7.799 -6.401 6.259 1.00 0.00 H new ATOM 881 N ILE A 58 0.922 -1.598 6.821 1.00 0.00 N ATOM 882 CA ILE A 58 -0.512 -1.569 6.920 1.00 0.00 C ATOM 883 C ILE A 58 -1.046 -2.879 6.372 1.00 0.00 C ATOM 884 O ILE A 58 -0.309 -3.625 5.744 1.00 0.00 O ATOM 885 CB ILE A 58 -1.160 -0.342 6.197 1.00 0.00 C ATOM 886 CG1 ILE A 58 -0.260 0.905 6.305 1.00 0.00 C ATOM 887 CG2 ILE A 58 -2.503 -0.023 6.871 1.00 0.00 C ATOM 888 CD1 ILE A 58 -0.795 2.135 5.590 1.00 0.00 C ATOM 0 H ILE A 58 1.298 -1.824 5.900 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.784 -1.452 7.969 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.294 -0.594 5.145 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.120 1.146 7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.723 0.664 5.900 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.965 0.831 6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.163 -0.887 6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.336 0.214 7.922 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.098 2.963 5.719 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.908 1.918 4.528 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.763 2.407 6.010 1.00 0.00 H new ATOM 900 N TYR A 59 -2.279 -3.176 6.645 1.00 0.00 N ATOM 901 CA TYR A 59 -2.880 -4.419 6.222 1.00 0.00 C ATOM 902 C TYR A 59 -3.729 -4.149 4.992 1.00 0.00 C ATOM 903 O TYR A 59 -4.392 -3.097 4.907 1.00 0.00 O ATOM 904 CB TYR A 59 -3.823 -4.962 7.296 1.00 0.00 C ATOM 905 CG TYR A 59 -3.384 -4.809 8.733 1.00 0.00 C ATOM 906 CD1 TYR A 59 -2.634 -5.779 9.380 1.00 0.00 C ATOM 907 CD2 TYR A 59 -3.767 -3.688 9.454 1.00 0.00 C ATOM 908 CE1 TYR A 59 -2.281 -5.627 10.710 1.00 0.00 C ATOM 909 CE2 TYR A 59 -3.416 -3.529 10.764 1.00 0.00 C ATOM 910 CZ TYR A 59 -2.678 -4.493 11.393 1.00 0.00 C ATOM 911 OH TYR A 59 -2.345 -4.326 12.725 1.00 0.00 O ATOM 0 H TYR A 59 -2.906 -2.566 7.169 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.083 -5.136 6.027 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.788 -4.467 7.182 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.983 -6.022 7.102 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.322 -6.662 8.841 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.356 -2.924 8.969 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.700 -6.388 11.210 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.721 -2.644 11.302 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.703 -3.473 13.047 1.00 0.00 H new ATOM 921 N TRP A 60 -3.743 -5.088 4.068 1.00 0.00 N ATOM 922 CA TRP A 60 -4.558 -4.989 2.861 1.00 0.00 C ATOM 923 C TRP A 60 -6.045 -4.871 3.175 1.00 0.00 C ATOM 924 O TRP A 60 -6.601 -5.690 3.910 1.00 0.00 O ATOM 925 CB TRP A 60 -4.281 -6.141 1.880 1.00 0.00 C ATOM 926 CG TRP A 60 -3.850 -7.433 2.511 1.00 0.00 C ATOM 927 CD1 TRP A 60 -4.512 -8.167 3.447 1.00 0.00 C ATOM 928 CD2 TRP A 60 -2.652 -8.153 2.210 1.00 0.00 C ATOM 929 NE1 TRP A 60 -3.779 -9.271 3.776 1.00 0.00 N ATOM 930 CE2 TRP A 60 -2.639 -9.295 3.024 1.00 0.00 C ATOM 931 CE3 TRP A 60 -1.585 -7.934 1.338 1.00 0.00 C ATOM 932 CZ2 TRP A 60 -1.595 -10.218 2.993 1.00 0.00 C ATOM 933 CZ3 TRP A 60 -0.560 -8.852 1.306 1.00 0.00 C ATOM 934 CH2 TRP A 60 -0.571 -9.975 2.126 1.00 0.00 C ATOM 0 H TRP A 60 -3.192 -5.944 4.127 1.00 0.00 H new ATOM 0 HA TRP A 60 -4.261 -4.064 2.367 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.183 -6.324 1.297 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -3.508 -5.822 1.180 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -5.474 -7.914 3.867 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -4.041 -9.968 4.473 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -1.564 -7.062 0.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -1.597 -11.090 3.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 0.269 -8.697 0.631 1.00 0.00 H new ATOM 0 HH2 TRP A 60 0.252 -10.672 2.075 1.00 0.00 H new ATOM 945 N ASP A 61 -6.648 -3.797 2.646 1.00 0.00 N ATOM 946 CA ASP A 61 -8.080 -3.425 2.812 1.00 0.00 C ATOM 947 C ASP A 61 -8.589 -3.466 4.227 1.00 0.00 C ATOM 948 O ASP A 61 -9.778 -3.629 4.464 1.00 0.00 O ATOM 949 CB ASP A 61 -9.058 -4.112 1.823 1.00 0.00 C ATOM 950 CG ASP A 61 -9.075 -5.628 1.860 1.00 0.00 C ATOM 951 OD1 ASP A 61 -9.709 -6.220 2.774 1.00 0.00 O ATOM 952 OD2 ASP A 61 -8.500 -6.258 0.961 1.00 0.00 O ATOM 0 H ASP A 61 -6.140 -3.130 2.065 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.070 -2.372 2.532 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.066 -3.751 2.028 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.805 -3.795 0.811 1.00 0.00 H new ATOM 957 N SER A 62 -7.713 -3.231 5.171 1.00 0.00 N ATOM 958 CA SER A 62 -8.141 -3.172 6.532 1.00 0.00 C ATOM 959 C SER A 62 -8.701 -1.786 6.798 1.00 0.00 C ATOM 960 O SER A 62 -9.559 -1.596 7.657 1.00 0.00 O ATOM 961 CB SER A 62 -6.976 -3.485 7.462 1.00 0.00 C ATOM 962 OG SER A 62 -7.377 -3.536 8.813 1.00 0.00 O ATOM 0 H SER A 62 -6.716 -3.080 5.019 1.00 0.00 H new ATOM 0 HA SER A 62 -8.917 -3.915 6.719 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.533 -4.440 7.179 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.202 -2.727 7.342 1.00 0.00 H new ATOM 0 HG SER A 62 -6.646 -3.894 9.358 1.00 0.00 H new ATOM 968 N ASN A 63 -8.249 -0.829 6.000 1.00 0.00 N ATOM 969 CA ASN A 63 -8.645 0.547 6.154 1.00 0.00 C ATOM 970 C ASN A 63 -8.445 1.370 4.876 1.00 0.00 C ATOM 971 O ASN A 63 -9.415 1.731 4.213 1.00 0.00 O ATOM 972 CB ASN A 63 -7.970 1.195 7.400 1.00 0.00 C ATOM 973 CG ASN A 63 -6.453 0.956 7.530 1.00 0.00 C ATOM 974 OD1 ASN A 63 -5.723 0.839 6.544 1.00 0.00 O ATOM 975 ND2 ASN A 63 -5.998 0.828 8.743 1.00 0.00 N ATOM 0 H ASN A 63 -7.599 -0.993 5.231 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.720 0.551 6.335 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.150 2.270 7.372 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.459 0.813 8.296 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.011 0.625 8.899 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.629 0.931 9.538 1.00 0.00 H new ATOM 982 N ARG A 64 -7.213 1.606 4.507 1.00 0.00 N ATOM 983 CA ARG A 64 -6.870 2.459 3.373 1.00 0.00 C ATOM 984 C ARG A 64 -5.987 1.754 2.376 1.00 0.00 C ATOM 985 O ARG A 64 -5.129 2.356 1.790 1.00 0.00 O ATOM 986 CB ARG A 64 -6.122 3.666 3.884 1.00 0.00 C ATOM 987 CG ARG A 64 -6.964 4.623 4.669 1.00 0.00 C ATOM 988 CD ARG A 64 -6.156 5.761 5.227 1.00 0.00 C ATOM 989 NE ARG A 64 -4.790 5.370 5.617 1.00 0.00 N ATOM 990 CZ ARG A 64 -4.369 5.051 6.847 1.00 0.00 C ATOM 991 NH1 ARG A 64 -5.240 4.845 7.829 1.00 0.00 N ATOM 992 NH2 ARG A 64 -3.065 4.893 7.069 1.00 0.00 N ATOM 0 H ARG A 64 -6.402 1.212 4.984 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.799 2.736 2.875 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.296 3.329 4.510 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.685 4.194 3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.754 5.019 4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.452 4.091 5.486 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.101 6.557 4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.671 6.171 6.096 1.00 0.00 H new ATOM 0 HE ARG A 64 -4.093 5.339 4.873 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -6.240 4.929 7.649 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -4.908 4.602 8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.399 5.015 6.306 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -2.732 4.650 8.002 1.00 0.00 H new ATOM 1006 N LEU A 65 -6.197 0.508 2.175 1.00 0.00 N ATOM 1007 CA LEU A 65 -5.382 -0.239 1.213 1.00 0.00 C ATOM 1008 C LEU A 65 -6.262 -0.983 0.252 1.00 0.00 C ATOM 1009 O LEU A 65 -7.135 -1.712 0.665 1.00 0.00 O ATOM 1010 CB LEU A 65 -4.381 -1.201 1.906 1.00 0.00 C ATOM 1011 CG LEU A 65 -3.085 -0.593 2.477 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -2.295 0.154 1.403 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.357 0.311 3.645 1.00 0.00 C ATOM 0 H LEU A 65 -6.916 -0.040 2.647 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.786 0.487 0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.905 -1.701 2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.102 -1.971 1.187 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.480 -1.427 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.388 0.569 1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.028 -0.535 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.905 0.962 0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.417 0.718 4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.006 1.128 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.846 -0.256 4.438 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.073 -0.780 -1.010 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.884 -1.450 -1.973 1.00 0.00 C ATOM 1027 C ARG A 66 -6.049 -2.295 -2.911 1.00 0.00 C ATOM 1028 O ARG A 66 -4.986 -1.837 -3.442 1.00 0.00 O ATOM 1029 CB ARG A 66 -7.802 -0.481 -2.745 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.808 -1.180 -3.656 1.00 0.00 C ATOM 1031 CD ARG A 66 -9.896 -0.237 -4.148 1.00 0.00 C ATOM 1032 NE ARG A 66 -9.389 0.851 -4.985 1.00 0.00 N ATOM 1033 CZ ARG A 66 -10.069 1.959 -5.312 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -11.322 2.127 -4.891 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -9.495 2.889 -6.076 1.00 0.00 N ATOM 0 H ARG A 66 -5.365 -0.157 -1.398 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.538 -2.123 -1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.343 0.139 -2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.186 0.188 -3.346 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.285 -1.605 -4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.266 -2.010 -3.118 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -10.632 -0.808 -4.714 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.414 0.188 -3.288 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.441 0.759 -5.349 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -11.768 1.411 -4.317 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.836 2.972 -5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.540 2.756 -6.410 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.010 3.733 -6.326 1.00 0.00 H new ATOM 1049 N PRO A 67 -6.455 -3.574 -3.043 1.00 0.00 N ATOM 1050 CA PRO A 67 -5.898 -4.513 -4.007 1.00 0.00 C ATOM 1051 C PRO A 67 -6.215 -4.090 -5.433 1.00 0.00 C ATOM 1052 O PRO A 67 -6.686 -2.980 -5.677 1.00 0.00 O ATOM 1053 CB PRO A 67 -6.617 -5.826 -3.680 1.00 0.00 C ATOM 1054 CG PRO A 67 -7.093 -5.656 -2.299 1.00 0.00 C ATOM 1055 CD PRO A 67 -7.482 -4.231 -2.208 1.00 0.00 C ATOM 0 HA PRO A 67 -4.812 -4.581 -3.943 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.445 -6.005 -4.365 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.943 -6.678 -3.765 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.938 -6.311 -2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -6.313 -5.900 -1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.488 -4.058 -2.589 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.464 -3.869 -1.180 1.00 0.00 H new ATOM 1063 N LEU A 68 -5.955 -4.957 -6.366 1.00 0.00 N ATOM 1064 CA LEU A 68 -6.210 -4.664 -7.755 1.00 0.00 C ATOM 1065 C LEU A 68 -7.705 -4.594 -8.043 1.00 0.00 C ATOM 1066 O LEU A 68 -8.525 -4.849 -7.147 1.00 0.00 O ATOM 1067 CB LEU A 68 -5.517 -5.685 -8.635 1.00 0.00 C ATOM 1068 CG LEU A 68 -4.097 -5.357 -9.073 1.00 0.00 C ATOM 1069 CD1 LEU A 68 -3.487 -6.537 -9.792 1.00 0.00 C ATOM 1070 CD2 LEU A 68 -4.122 -4.165 -10.005 1.00 0.00 C ATOM 0 H LEU A 68 -5.563 -5.883 -6.193 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.799 -3.681 -7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.498 -6.636 -8.103 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.124 -5.832 -9.529 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.499 -5.128 -8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.471 -6.290 -10.100 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.464 -7.398 -9.124 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.085 -6.776 -10.671 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.106 -3.928 -10.320 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.728 -4.400 -10.880 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.550 -3.307 -9.487 1.00 0.00 H new ATOM 1082 N GLU A 69 -8.044 -4.216 -9.282 1.00 0.00 N ATOM 1083 CA GLU A 69 -9.438 -4.066 -9.742 1.00 0.00 C ATOM 1084 C GLU A 69 -10.306 -5.246 -9.282 1.00 0.00 C ATOM 1085 O GLU A 69 -11.350 -5.037 -8.638 1.00 0.00 O ATOM 1086 CB GLU A 69 -9.463 -3.876 -11.277 1.00 0.00 C ATOM 1087 CG GLU A 69 -8.697 -4.945 -12.047 1.00 0.00 C ATOM 1088 CD GLU A 69 -8.564 -4.661 -13.516 1.00 0.00 C ATOM 1089 OE1 GLU A 69 -7.609 -3.968 -13.905 1.00 0.00 O ATOM 1090 OE2 GLU A 69 -9.362 -5.162 -14.310 1.00 0.00 O ATOM 0 H GLU A 69 -7.355 -4.003 -10.003 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.871 -3.175 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.499 -3.872 -11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.045 -2.899 -11.519 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.701 -5.046 -11.615 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.200 -5.903 -11.916 1.00 0.00 H new ATOM 1097 N ARG A 70 -9.837 -6.453 -9.616 1.00 0.00 N ATOM 1098 CA ARG A 70 -10.350 -7.754 -9.190 1.00 0.00 C ATOM 1099 C ARG A 70 -9.900 -8.711 -10.266 1.00 0.00 C ATOM 1100 O ARG A 70 -10.331 -8.582 -11.414 1.00 0.00 O ATOM 1101 CB ARG A 70 -11.895 -7.816 -9.090 1.00 0.00 C ATOM 1102 CG ARG A 70 -12.469 -8.847 -8.103 1.00 0.00 C ATOM 1103 CD ARG A 70 -12.135 -10.287 -8.456 1.00 0.00 C ATOM 1104 NE ARG A 70 -12.738 -11.227 -7.505 1.00 0.00 N ATOM 1105 CZ ARG A 70 -12.536 -12.555 -7.485 1.00 0.00 C ATOM 1106 NH1 ARG A 70 -11.708 -13.126 -8.359 1.00 0.00 N ATOM 1107 NH2 ARG A 70 -13.158 -13.307 -6.580 1.00 0.00 N ATOM 0 H ARG A 70 -9.032 -6.550 -10.235 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.980 -7.983 -8.191 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -12.260 -6.829 -8.806 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -12.295 -8.031 -10.081 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.090 -8.630 -7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.552 -8.734 -8.064 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.490 -10.508 -9.463 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.053 -10.419 -8.464 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.364 -10.839 -6.799 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.222 -12.554 -9.050 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -11.560 -14.135 -8.337 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.787 -12.875 -5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.006 -14.315 -6.563 1.00 0.00 H new TER 1121 ARG A 70