USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 852 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 GLN :FLIP amide:sc= -3.31! C(o=-17!,f=-8.4!) USER MOD Set 1.2: A 93 GLN : amide:sc= -5.05! C(o=-8.4!,f=-9.9!) USER MOD Set 1.3: A 96 GLN : amide:sc= -0.0121 K(o=-8.4,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 171:sc= -0.17 (180deg=-0.269) USER MOD Single : A 2 SER OG : rot 127:sc= 0.604 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.215 K(o=-0.22,f=-0.82) USER MOD Single : A 11 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.074) USER MOD Single : A 16 GLN : amide:sc= -0.954 K(o=-0.95,f=-3.1!) USER MOD Single : A 21 THR OG1 : rot -41:sc= 0.173! USER MOD Single : A 25 SER OG : rot -74:sc= 0.614 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.219 F(o=-1.8!,f=-0.22) USER MOD Single : A 27 HIS : no HD1:sc=-0.00705 X(o=-0.007,f=-0.12) USER MOD Single : A 30 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN :FLIP amide:sc= -6.39! C(o=-8.6!,f=-6.4!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.025) USER MOD Single : A 55 GLN : amide:sc= -7.55! C(o=-7.6!,f=-7.6!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -120:sc= -0.308 (180deg=-1.96!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.204 USER MOD Single : A 82 SER OG : rot 64:sc= -5.36! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0493 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.947 F(o=-5!,f=-0.95) USER MOD Single : A 92 ASN : amide:sc= -0.0532 K(o=-0.053,f=-1.9!) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.096 -9.671 16.892 1.00 0.00 N ATOM 2 CA GLY A 1 -20.212 -11.127 17.189 1.00 0.00 C ATOM 3 C GLY A 1 -18.983 -11.857 16.660 1.00 0.00 C ATOM 4 O GLY A 1 -18.964 -13.085 16.582 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.996 -9.199 17.114 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.336 -9.258 17.470 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.875 -9.539 15.884 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.305 -11.283 18.264 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.114 -11.531 16.729 1.00 0.00 H new ATOM 10 N SER A 2 -17.955 -11.095 16.298 1.00 0.00 N ATOM 11 CA SER A 2 -16.726 -11.684 15.778 1.00 0.00 C ATOM 12 C SER A 2 -16.085 -12.593 16.822 1.00 0.00 C ATOM 13 O SER A 2 -16.265 -13.811 16.791 1.00 0.00 O ATOM 14 CB SER A 2 -15.742 -10.580 15.391 1.00 0.00 C ATOM 15 OG SER A 2 -15.514 -9.742 16.516 1.00 0.00 O ATOM 0 H SER A 2 -17.948 -10.077 16.354 1.00 0.00 H new ATOM 0 HA SER A 2 -16.973 -12.277 14.897 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.803 -11.016 15.051 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.140 -9.995 14.562 1.00 0.00 H new ATOM 0 HG SER A 2 -14.551 -9.669 16.680 1.00 0.00 H new ATOM 21 N SER A 3 -15.345 -11.995 17.750 1.00 0.00 N ATOM 22 CA SER A 3 -14.693 -12.764 18.803 1.00 0.00 C ATOM 23 C SER A 3 -15.607 -12.870 20.017 1.00 0.00 C ATOM 24 O SER A 3 -16.080 -11.861 20.538 1.00 0.00 O ATOM 25 CB SER A 3 -13.378 -12.096 19.206 1.00 0.00 C ATOM 26 OG SER A 3 -12.380 -12.396 18.238 1.00 0.00 O ATOM 0 H SER A 3 -15.183 -10.989 17.794 1.00 0.00 H new ATOM 0 HA SER A 3 -14.484 -13.765 18.425 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.514 -11.017 19.282 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.065 -12.448 20.189 1.00 0.00 H new ATOM 0 HG SER A 3 -11.537 -11.967 18.494 1.00 0.00 H new ATOM 32 N LEU A 4 -15.857 -14.097 20.458 1.00 0.00 N ATOM 33 CA LEU A 4 -16.725 -14.320 21.608 1.00 0.00 C ATOM 34 C LEU A 4 -16.102 -13.754 22.882 1.00 0.00 C ATOM 35 O LEU A 4 -16.787 -13.135 23.695 1.00 0.00 O ATOM 36 CB LEU A 4 -16.978 -15.824 21.773 1.00 0.00 C ATOM 37 CG LEU A 4 -17.909 -16.083 22.965 1.00 0.00 C ATOM 38 CD1 LEU A 4 -17.141 -15.894 24.276 1.00 0.00 C ATOM 39 CD2 LEU A 4 -19.090 -15.109 22.923 1.00 0.00 C ATOM 0 H LEU A 4 -15.475 -14.946 20.041 1.00 0.00 H new ATOM 0 HA LEU A 4 -17.670 -13.805 21.435 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -17.422 -16.226 20.863 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -16.032 -16.344 21.923 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.281 -17.106 22.908 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.808 -16.079 25.118 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -16.306 -16.594 24.313 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -16.761 -14.874 24.331 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -19.748 -15.298 23.772 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -18.719 -14.085 22.972 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -19.645 -15.250 21.996 1.00 0.00 H new ATOM 51 N SER A 5 -14.800 -13.969 23.049 1.00 0.00 N ATOM 52 CA SER A 5 -14.099 -13.477 24.234 1.00 0.00 C ATOM 53 C SER A 5 -13.277 -12.235 23.905 1.00 0.00 C ATOM 54 O SER A 5 -12.936 -11.989 22.747 1.00 0.00 O ATOM 55 CB SER A 5 -13.176 -14.565 24.783 1.00 0.00 C ATOM 56 OG SER A 5 -11.837 -14.085 24.785 1.00 0.00 O ATOM 0 H SER A 5 -14.213 -14.475 22.387 1.00 0.00 H new ATOM 0 HA SER A 5 -14.845 -13.214 24.984 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.478 -14.839 25.794 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.252 -15.465 24.173 1.00 0.00 H new ATOM 0 HG SER A 5 -11.241 -14.779 25.138 1.00 0.00 H new ATOM 62 N PRO A 6 -12.950 -11.461 24.905 1.00 0.00 N ATOM 63 CA PRO A 6 -12.144 -10.223 24.731 1.00 0.00 C ATOM 64 C PRO A 6 -10.841 -10.502 23.986 1.00 0.00 C ATOM 65 O PRO A 6 -10.176 -11.507 24.238 1.00 0.00 O ATOM 66 CB PRO A 6 -11.849 -9.730 26.154 1.00 0.00 C ATOM 67 CG PRO A 6 -12.485 -10.699 27.106 1.00 0.00 C ATOM 68 CD PRO A 6 -13.325 -11.692 26.302 1.00 0.00 C ATOM 0 HA PRO A 6 -12.681 -9.483 24.138 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -10.774 -9.673 26.325 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.249 -8.727 26.303 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -11.720 -11.226 27.677 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.110 -10.169 27.824 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.117 -12.719 26.602 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.391 -11.524 26.458 1.00 0.00 H new ATOM 76 N GLN A 7 -10.483 -9.609 23.073 1.00 0.00 N ATOM 77 CA GLN A 7 -9.258 -9.775 22.301 1.00 0.00 C ATOM 78 C GLN A 7 -8.554 -8.432 22.137 1.00 0.00 C ATOM 79 O GLN A 7 -8.070 -8.100 21.056 1.00 0.00 O ATOM 80 CB GLN A 7 -9.585 -10.364 20.926 1.00 0.00 C ATOM 81 CG GLN A 7 -8.301 -10.862 20.258 1.00 0.00 C ATOM 82 CD GLN A 7 -7.777 -12.093 20.991 1.00 0.00 C ATOM 83 OE1 GLN A 7 -8.551 -12.983 21.343 1.00 0.00 O ATOM 84 NE2 GLN A 7 -6.502 -12.195 21.244 1.00 0.00 N ATOM 0 H GLN A 7 -11.018 -8.769 22.850 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.595 -10.457 22.833 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.294 -11.186 21.031 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -10.062 -9.609 20.301 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.495 -11.105 19.213 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -7.547 -10.075 20.267 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.863 -11.456 20.951 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -6.143 -13.014 21.735 1.00 0.00 H new ATOM 93 N ALA A 8 -8.504 -7.663 23.221 1.00 0.00 N ATOM 94 CA ALA A 8 -7.860 -6.355 23.192 1.00 0.00 C ATOM 95 C ALA A 8 -8.200 -5.618 21.901 1.00 0.00 C ATOM 96 O ALA A 8 -8.995 -6.098 21.093 1.00 0.00 O ATOM 97 CB ALA A 8 -6.344 -6.518 23.306 1.00 0.00 C ATOM 0 H ALA A 8 -8.899 -7.921 24.125 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.227 -5.771 24.036 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.870 -5.537 23.284 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.101 -7.017 24.244 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.979 -7.117 22.472 1.00 0.00 H new ATOM 103 N LEU A 9 -7.596 -4.450 21.712 1.00 0.00 N ATOM 104 CA LEU A 9 -7.846 -3.660 20.513 1.00 0.00 C ATOM 105 C LEU A 9 -6.940 -4.117 19.375 1.00 0.00 C ATOM 106 O LEU A 9 -5.786 -4.487 19.598 1.00 0.00 O ATOM 107 CB LEU A 9 -7.607 -2.175 20.799 1.00 0.00 C ATOM 108 CG LEU A 9 -6.338 -2.008 21.635 1.00 0.00 C ATOM 109 CD1 LEU A 9 -5.504 -0.858 21.070 1.00 0.00 C ATOM 110 CD2 LEU A 9 -6.720 -1.693 23.083 1.00 0.00 C ATOM 0 H LEU A 9 -6.935 -4.032 22.368 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.885 -3.804 20.217 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.512 -1.625 19.863 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.461 -1.755 21.330 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.758 -2.930 21.603 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.599 -0.738 21.665 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.233 -1.078 20.038 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.085 0.064 21.104 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.816 -1.574 23.680 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.300 -0.770 23.114 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.317 -2.510 23.488 1.00 0.00 H new ATOM 122 N ALA A 10 -7.467 -4.092 18.155 1.00 0.00 N ATOM 123 CA ALA A 10 -6.695 -4.511 16.991 1.00 0.00 C ATOM 124 C ALA A 10 -5.507 -3.580 16.773 1.00 0.00 C ATOM 125 O ALA A 10 -5.592 -2.381 17.036 1.00 0.00 O ATOM 126 CB ALA A 10 -7.585 -4.502 15.747 1.00 0.00 C ATOM 0 H ALA A 10 -8.418 -3.788 17.948 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.324 -5.521 17.168 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.003 -4.816 14.881 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.419 -5.188 15.892 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.968 -3.495 15.581 1.00 0.00 H new ATOM 132 N GLN A 11 -4.402 -4.140 16.293 1.00 0.00 N ATOM 133 CA GLN A 11 -3.205 -3.344 16.046 1.00 0.00 C ATOM 134 C GLN A 11 -3.270 -2.707 14.659 1.00 0.00 C ATOM 135 O GLN A 11 -3.797 -3.302 13.719 1.00 0.00 O ATOM 136 CB GLN A 11 -1.954 -4.222 16.141 1.00 0.00 C ATOM 137 CG GLN A 11 -2.015 -5.081 17.407 1.00 0.00 C ATOM 138 CD GLN A 11 -1.345 -4.351 18.565 1.00 0.00 C ATOM 139 OE1 GLN A 11 -1.910 -4.263 19.655 1.00 0.00 O ATOM 140 NE2 GLN A 11 -0.168 -3.816 18.393 1.00 0.00 N ATOM 0 H GLN A 11 -4.310 -5.131 16.069 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.153 -2.560 16.801 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.880 -4.861 15.261 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.061 -3.597 16.158 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.053 -5.302 17.657 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.519 -6.036 17.233 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.299 -3.890 17.489 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.286 -3.324 19.162 1.00 0.00 H new ATOM 149 N PRO A 12 -2.747 -1.520 14.516 1.00 0.00 N ATOM 150 CA PRO A 12 -2.746 -0.799 13.215 1.00 0.00 C ATOM 151 C PRO A 12 -2.168 -1.657 12.093 1.00 0.00 C ATOM 152 O PRO A 12 -1.390 -2.578 12.343 1.00 0.00 O ATOM 153 CB PRO A 12 -1.867 0.438 13.443 1.00 0.00 C ATOM 154 CG PRO A 12 -1.379 0.390 14.859 1.00 0.00 C ATOM 155 CD PRO A 12 -2.108 -0.743 15.582 1.00 0.00 C ATOM 0 HA PRO A 12 -3.760 -0.542 12.908 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.027 0.445 12.748 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.436 1.351 13.264 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.302 0.225 14.884 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.567 1.341 15.357 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.414 -1.356 16.156 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.846 -0.354 16.284 1.00 0.00 H new ATOM 163 N LEU A 13 -2.544 -1.346 10.856 1.00 0.00 N ATOM 164 CA LEU A 13 -2.045 -2.091 9.711 1.00 0.00 C ATOM 165 C LEU A 13 -0.653 -1.596 9.354 1.00 0.00 C ATOM 166 O LEU A 13 -0.434 -0.391 9.222 1.00 0.00 O ATOM 167 CB LEU A 13 -2.977 -1.890 8.516 1.00 0.00 C ATOM 168 CG LEU A 13 -2.707 -2.953 7.453 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.760 -2.836 6.353 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.323 -2.733 6.845 1.00 0.00 C ATOM 0 H LEU A 13 -3.187 -0.589 10.625 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.005 -3.151 9.962 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.016 -1.946 8.842 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.829 -0.896 8.093 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.750 -3.942 7.909 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.574 -3.592 5.590 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.751 -2.988 6.780 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.707 -1.845 5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.134 -3.493 6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.280 -1.745 6.387 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.567 -2.804 7.627 1.00 0.00 H new ATOM 182 N LEU A 14 0.291 -2.515 9.196 1.00 0.00 N ATOM 183 CA LEU A 14 1.641 -2.124 8.855 1.00 0.00 C ATOM 184 C LEU A 14 1.834 -2.193 7.346 1.00 0.00 C ATOM 185 O LEU A 14 1.770 -3.267 6.744 1.00 0.00 O ATOM 186 CB LEU A 14 2.628 -3.046 9.562 1.00 0.00 C ATOM 187 CG LEU A 14 2.318 -3.067 11.060 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.509 -3.649 11.820 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.039 -1.643 11.549 1.00 0.00 C ATOM 0 H LEU A 14 0.145 -3.519 9.298 1.00 0.00 H new ATOM 0 HA LEU A 14 1.818 -1.099 9.180 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.560 -4.053 9.151 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.649 -2.701 9.395 1.00 0.00 H new ATOM 0 HG LEU A 14 1.439 -3.686 11.239 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.288 -3.664 12.887 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.699 -4.665 11.475 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.391 -3.034 11.641 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.819 -1.661 12.616 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.914 -1.019 11.370 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.185 -1.234 11.009 1.00 0.00 H new ATOM 201 N LEU A 15 2.049 -1.032 6.745 1.00 0.00 N ATOM 202 CA LEU A 15 2.223 -0.942 5.304 1.00 0.00 C ATOM 203 C LEU A 15 3.503 -0.175 4.976 1.00 0.00 C ATOM 204 O LEU A 15 3.777 0.864 5.577 1.00 0.00 O ATOM 205 CB LEU A 15 0.999 -0.219 4.718 1.00 0.00 C ATOM 206 CG LEU A 15 0.891 -0.450 3.210 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.080 0.203 2.508 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.866 -1.955 2.920 1.00 0.00 C ATOM 0 H LEU A 15 2.107 -0.139 7.234 1.00 0.00 H new ATOM 0 HA LEU A 15 2.308 -1.939 4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.093 -0.575 5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.073 0.849 4.921 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.031 -0.004 2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.003 0.038 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.080 1.274 2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.007 -0.237 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.789 -2.117 1.845 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.783 -2.412 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.008 -2.407 3.417 1.00 0.00 H new ATOM 220 N GLN A 16 4.287 -0.681 4.023 1.00 0.00 N ATOM 221 CA GLN A 16 5.523 -0.002 3.654 1.00 0.00 C ATOM 222 C GLN A 16 5.654 0.135 2.142 1.00 0.00 C ATOM 223 O GLN A 16 5.066 -0.631 1.379 1.00 0.00 O ATOM 224 CB GLN A 16 6.730 -0.755 4.213 1.00 0.00 C ATOM 225 CG GLN A 16 6.845 -0.470 5.709 1.00 0.00 C ATOM 226 CD GLN A 16 7.942 -1.330 6.323 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.457 -2.240 5.673 1.00 0.00 O ATOM 228 NE2 GLN A 16 8.330 -1.099 7.548 1.00 0.00 N ATOM 0 H GLN A 16 4.093 -1.538 3.505 1.00 0.00 H new ATOM 0 HA GLN A 16 5.491 0.999 4.084 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.618 -1.826 4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.639 -0.443 3.699 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.066 0.585 5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.894 -0.675 6.200 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.902 -0.345 8.085 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.061 -1.673 7.968 1.00 0.00 H new ATOM 237 N LEU A 17 6.429 1.131 1.724 1.00 0.00 N ATOM 238 CA LEU A 17 6.640 1.390 0.306 1.00 0.00 C ATOM 239 C LEU A 17 8.123 1.605 0.016 1.00 0.00 C ATOM 240 O LEU A 17 8.780 2.414 0.666 1.00 0.00 O ATOM 241 CB LEU A 17 5.841 2.631 -0.109 1.00 0.00 C ATOM 242 CG LEU A 17 6.051 2.930 -1.597 1.00 0.00 C ATOM 243 CD1 LEU A 17 5.186 1.992 -2.440 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.647 4.379 -1.881 1.00 0.00 C ATOM 0 H LEU A 17 6.921 1.771 2.348 1.00 0.00 H new ATOM 0 HA LEU A 17 6.299 0.527 -0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.781 2.472 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.153 3.488 0.488 1.00 0.00 H new ATOM 0 HG LEU A 17 7.100 2.780 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.339 2.208 -3.497 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.466 0.958 -2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.136 2.140 -2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.794 4.597 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.597 4.521 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.261 5.052 -1.283 1.00 0.00 H new ATOM 256 N PHE A 18 8.643 0.885 -0.973 1.00 0.00 N ATOM 257 CA PHE A 18 10.046 1.023 -1.343 1.00 0.00 C ATOM 258 C PHE A 18 10.181 1.979 -2.516 1.00 0.00 C ATOM 259 O PHE A 18 9.575 1.775 -3.567 1.00 0.00 O ATOM 260 CB PHE A 18 10.634 -0.339 -1.715 1.00 0.00 C ATOM 261 CG PHE A 18 10.994 -1.083 -0.456 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.995 -1.454 0.451 1.00 0.00 C ATOM 263 CD2 PHE A 18 12.333 -1.389 -0.190 1.00 0.00 C ATOM 264 CE1 PHE A 18 10.339 -2.128 1.628 1.00 0.00 C ATOM 265 CE2 PHE A 18 12.677 -2.068 0.982 1.00 0.00 C ATOM 266 CZ PHE A 18 11.679 -2.436 1.893 1.00 0.00 C ATOM 0 H PHE A 18 8.120 0.207 -1.527 1.00 0.00 H new ATOM 0 HA PHE A 18 10.594 1.422 -0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.913 -0.913 -2.297 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.517 -0.209 -2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.961 -1.221 0.243 1.00 0.00 H new ATOM 0 HD2 PHE A 18 13.102 -1.100 -0.891 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.571 -2.411 2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 18 13.710 -2.308 1.185 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.943 -2.958 2.801 1.00 0.00 H new ATOM 276 N VAL A 19 10.962 3.034 -2.326 1.00 0.00 N ATOM 277 CA VAL A 19 11.136 4.018 -3.383 1.00 0.00 C ATOM 278 C VAL A 19 12.604 4.368 -3.594 1.00 0.00 C ATOM 279 O VAL A 19 13.427 4.235 -2.688 1.00 0.00 O ATOM 280 CB VAL A 19 10.363 5.287 -3.029 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.951 4.911 -2.575 1.00 0.00 C ATOM 282 CG2 VAL A 19 11.084 6.020 -1.895 1.00 0.00 C ATOM 0 H VAL A 19 11.476 3.228 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 19 10.755 3.585 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 19 10.304 5.935 -3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.397 5.815 -2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.438 4.385 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 19 9.010 4.265 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.534 6.926 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.140 5.372 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.092 6.285 -2.216 1.00 0.00 H new ATOM 292 N ASP A 20 12.908 4.840 -4.798 1.00 0.00 N ATOM 293 CA ASP A 20 14.264 5.242 -5.142 1.00 0.00 C ATOM 294 C ASP A 20 14.392 6.759 -5.034 1.00 0.00 C ATOM 295 O ASP A 20 15.303 7.358 -5.600 1.00 0.00 O ATOM 296 CB ASP A 20 14.606 4.791 -6.562 1.00 0.00 C ATOM 297 CG ASP A 20 13.653 5.439 -7.559 1.00 0.00 C ATOM 298 OD1 ASP A 20 12.602 5.891 -7.136 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.987 5.476 -8.732 1.00 0.00 O ATOM 0 H ASP A 20 12.231 4.953 -5.553 1.00 0.00 H new ATOM 0 HA ASP A 20 14.960 4.770 -4.448 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.634 5.062 -6.801 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.538 3.706 -6.634 1.00 0.00 H new ATOM 304 N THR A 21 13.455 7.362 -4.305 1.00 0.00 N ATOM 305 CA THR A 21 13.431 8.811 -4.111 1.00 0.00 C ATOM 306 C THR A 21 12.973 9.523 -5.383 1.00 0.00 C ATOM 307 O THR A 21 13.018 10.751 -5.464 1.00 0.00 O ATOM 308 CB THR A 21 14.815 9.333 -3.704 1.00 0.00 C ATOM 309 OG1 THR A 21 15.662 9.374 -4.845 1.00 0.00 O ATOM 310 CG2 THR A 21 15.428 8.421 -2.636 1.00 0.00 C ATOM 0 H THR A 21 12.697 6.866 -3.836 1.00 0.00 H new ATOM 0 HA THR A 21 12.723 9.023 -3.310 1.00 0.00 H new ATOM 0 HB THR A 21 14.711 10.337 -3.293 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.523 8.568 -5.385 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.410 8.800 -2.354 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.781 8.402 -1.759 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.529 7.411 -3.034 1.00 0.00 H new ATOM 318 N ARG A 22 12.523 8.750 -6.368 1.00 0.00 N ATOM 319 CA ARG A 22 12.048 9.332 -7.620 1.00 0.00 C ATOM 320 C ARG A 22 10.674 9.972 -7.411 1.00 0.00 C ATOM 321 O ARG A 22 9.850 9.453 -6.658 1.00 0.00 O ATOM 322 CB ARG A 22 11.967 8.256 -8.706 1.00 0.00 C ATOM 323 CG ARG A 22 10.737 7.379 -8.473 1.00 0.00 C ATOM 324 CD ARG A 22 10.782 6.179 -9.421 1.00 0.00 C ATOM 325 NE ARG A 22 11.272 6.590 -10.732 1.00 0.00 N ATOM 326 CZ ARG A 22 10.548 6.390 -11.827 1.00 0.00 C ATOM 327 NH1 ARG A 22 10.327 5.173 -12.247 1.00 0.00 N ATOM 328 NH2 ARG A 22 10.061 7.407 -12.482 1.00 0.00 N ATOM 0 H ARG A 22 12.477 7.732 -6.325 1.00 0.00 H new ATOM 0 HA ARG A 22 12.752 10.100 -7.940 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.912 8.722 -9.690 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.869 7.644 -8.693 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.710 7.038 -7.438 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.828 7.956 -8.642 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.430 5.405 -9.009 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.787 5.744 -9.517 1.00 0.00 H new ATOM 0 HE ARG A 22 12.185 7.038 -10.809 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.710 4.379 -11.734 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.771 5.017 -13.088 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.236 8.357 -12.153 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.505 7.253 -13.323 1.00 0.00 H new ATOM 342 N PRO A 23 10.420 11.089 -8.042 1.00 0.00 N ATOM 343 CA PRO A 23 9.127 11.813 -7.898 1.00 0.00 C ATOM 344 C PRO A 23 7.926 10.902 -8.130 1.00 0.00 C ATOM 345 O PRO A 23 6.898 11.040 -7.469 1.00 0.00 O ATOM 346 CB PRO A 23 9.163 12.911 -8.967 1.00 0.00 C ATOM 347 CG PRO A 23 10.459 12.777 -9.705 1.00 0.00 C ATOM 348 CD PRO A 23 11.339 11.780 -8.949 1.00 0.00 C ATOM 0 HA PRO A 23 9.015 12.205 -6.887 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.320 12.809 -9.650 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.083 13.896 -8.508 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.282 12.432 -10.724 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.957 13.744 -9.778 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.822 11.081 -9.632 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.131 12.288 -8.399 1.00 0.00 H new ATOM 356 N LEU A 24 8.058 9.974 -9.074 1.00 0.00 N ATOM 357 CA LEU A 24 6.967 9.057 -9.377 1.00 0.00 C ATOM 358 C LEU A 24 6.520 8.331 -8.111 1.00 0.00 C ATOM 359 O LEU A 24 5.323 8.181 -7.862 1.00 0.00 O ATOM 360 CB LEU A 24 7.418 8.036 -10.421 1.00 0.00 C ATOM 361 CG LEU A 24 6.235 7.144 -10.806 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.310 7.889 -11.774 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.761 5.875 -11.476 1.00 0.00 C ATOM 0 H LEU A 24 8.899 9.839 -9.635 1.00 0.00 H new ATOM 0 HA LEU A 24 6.129 9.631 -9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.804 8.548 -11.303 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.231 7.429 -10.024 1.00 0.00 H new ATOM 0 HG LEU A 24 5.673 6.883 -9.909 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.471 7.247 -12.043 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.936 8.794 -11.296 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.864 8.157 -12.673 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.923 5.235 -11.753 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.324 6.142 -12.370 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.412 5.341 -10.784 1.00 0.00 H new ATOM 375 N SER A 25 7.487 7.892 -7.308 1.00 0.00 N ATOM 376 CA SER A 25 7.174 7.197 -6.065 1.00 0.00 C ATOM 377 C SER A 25 6.458 8.148 -5.116 1.00 0.00 C ATOM 378 O SER A 25 5.460 7.787 -4.495 1.00 0.00 O ATOM 379 CB SER A 25 8.455 6.681 -5.413 1.00 0.00 C ATOM 380 OG SER A 25 9.190 7.776 -4.884 1.00 0.00 O ATOM 0 H SER A 25 8.484 8.004 -7.494 1.00 0.00 H new ATOM 0 HA SER A 25 6.526 6.349 -6.285 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.213 5.974 -4.619 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.058 6.144 -6.145 1.00 0.00 H new ATOM 0 HG SER A 25 9.611 8.272 -5.617 1.00 0.00 H new ATOM 386 N GLN A 26 6.953 9.382 -5.044 1.00 0.00 N ATOM 387 CA GLN A 26 6.322 10.390 -4.206 1.00 0.00 C ATOM 388 C GLN A 26 4.932 10.647 -4.760 1.00 0.00 C ATOM 389 O GLN A 26 3.978 10.908 -4.027 1.00 0.00 O ATOM 390 CB GLN A 26 7.142 11.682 -4.224 1.00 0.00 C ATOM 391 CG GLN A 26 8.507 11.430 -3.581 1.00 0.00 C ATOM 392 CD GLN A 26 8.339 11.165 -2.089 1.00 0.00 C ATOM 393 OE1 GLN A 26 7.283 11.619 -1.470 1.00 0.00 O flip ATOM 394 NE2 GLN A 26 9.191 10.528 -1.471 1.00 0.00 N flip ATOM 0 H GLN A 26 7.779 9.702 -5.550 1.00 0.00 H new ATOM 0 HA GLN A 26 6.264 10.043 -3.174 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.270 12.030 -5.249 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.614 12.468 -3.684 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.991 10.578 -4.058 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.156 12.292 -3.735 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.015 10.174 -1.957 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.073 10.354 -0.473 1.00 0.00 H new ATOM 403 N HIS A 27 4.848 10.538 -6.078 1.00 0.00 N ATOM 404 CA HIS A 27 3.601 10.719 -6.800 1.00 0.00 C ATOM 405 C HIS A 27 2.629 9.612 -6.395 1.00 0.00 C ATOM 406 O HIS A 27 1.503 9.866 -5.956 1.00 0.00 O ATOM 407 CB HIS A 27 3.911 10.606 -8.292 1.00 0.00 C ATOM 408 CG HIS A 27 3.013 11.493 -9.099 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.692 11.738 -8.764 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.253 12.202 -10.245 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.188 12.568 -9.699 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.099 12.882 -10.626 1.00 0.00 N ATOM 0 H HIS A 27 5.645 10.321 -6.676 1.00 0.00 H new ATOM 0 HA HIS A 27 3.155 11.688 -6.575 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.951 10.877 -8.472 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.790 9.572 -8.614 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.194 12.230 -10.774 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.172 12.935 -9.699 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.975 13.488 -11.437 1.00 0.00 H new ATOM 420 N ILE A 28 3.102 8.376 -6.535 1.00 0.00 N ATOM 421 CA ILE A 28 2.313 7.206 -6.177 1.00 0.00 C ATOM 422 C ILE A 28 2.023 7.194 -4.683 1.00 0.00 C ATOM 423 O ILE A 28 0.965 6.737 -4.251 1.00 0.00 O ATOM 424 CB ILE A 28 3.067 5.934 -6.563 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.199 5.864 -8.085 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.300 4.712 -6.058 1.00 0.00 C ATOM 427 CD1 ILE A 28 4.022 4.633 -8.468 1.00 0.00 C ATOM 0 H ILE A 28 4.032 8.161 -6.895 1.00 0.00 H new ATOM 0 HA ILE A 28 1.367 7.247 -6.718 1.00 0.00 H new ATOM 0 HB ILE A 28 4.060 5.948 -6.113 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.212 5.812 -8.545 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.679 6.767 -8.461 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.838 3.805 -6.334 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.207 4.763 -4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.307 4.695 -6.507 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.117 4.582 -9.553 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.013 4.704 -8.020 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.523 3.734 -8.105 1.00 0.00 H new ATOM 439 N VAL A 29 2.968 7.697 -3.896 1.00 0.00 N ATOM 440 CA VAL A 29 2.789 7.730 -2.452 1.00 0.00 C ATOM 441 C VAL A 29 1.509 8.473 -2.109 1.00 0.00 C ATOM 442 O VAL A 29 0.703 7.998 -1.310 1.00 0.00 O ATOM 443 CB VAL A 29 3.987 8.410 -1.784 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.675 8.670 -0.308 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.210 7.494 -1.891 1.00 0.00 C ATOM 0 H VAL A 29 3.852 8.082 -4.228 1.00 0.00 H new ATOM 0 HA VAL A 29 2.718 6.707 -2.081 1.00 0.00 H new ATOM 0 HB VAL A 29 4.191 9.358 -2.282 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.530 9.154 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.802 9.318 -0.229 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.471 7.724 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.066 7.973 -1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.001 6.548 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.434 7.308 -2.941 1.00 0.00 H new ATOM 455 N GLN A 30 1.307 9.625 -2.736 1.00 0.00 N ATOM 456 CA GLN A 30 0.093 10.386 -2.491 1.00 0.00 C ATOM 457 C GLN A 30 -1.108 9.541 -2.870 1.00 0.00 C ATOM 458 O GLN A 30 -2.102 9.492 -2.143 1.00 0.00 O ATOM 459 CB GLN A 30 0.080 11.678 -3.307 1.00 0.00 C ATOM 460 CG GLN A 30 1.213 12.593 -2.846 1.00 0.00 C ATOM 461 CD GLN A 30 1.083 12.882 -1.353 1.00 0.00 C ATOM 462 OE1 GLN A 30 1.443 12.045 -0.524 1.00 0.00 O ATOM 463 NE2 GLN A 30 0.590 14.024 -0.956 1.00 0.00 N ATOM 0 H GLN A 30 1.954 10.044 -3.404 1.00 0.00 H new ATOM 0 HA GLN A 30 0.054 10.647 -1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.193 11.450 -4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.879 12.183 -3.189 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.175 12.124 -3.050 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.188 13.527 -3.408 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.292 14.717 -1.642 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.503 14.223 0.041 1.00 0.00 H new ATOM 472 N ARG A 31 -1.004 8.853 -4.006 1.00 0.00 N ATOM 473 CA ARG A 31 -2.091 7.995 -4.451 1.00 0.00 C ATOM 474 C ARG A 31 -2.324 6.892 -3.430 1.00 0.00 C ATOM 475 O ARG A 31 -3.464 6.566 -3.103 1.00 0.00 O ATOM 476 CB ARG A 31 -1.766 7.374 -5.809 1.00 0.00 C ATOM 477 CG ARG A 31 -1.718 8.470 -6.872 1.00 0.00 C ATOM 478 CD ARG A 31 -1.594 7.829 -8.252 1.00 0.00 C ATOM 479 NE ARG A 31 -1.372 8.849 -9.268 1.00 0.00 N ATOM 480 CZ ARG A 31 -1.580 8.592 -10.555 1.00 0.00 C ATOM 481 NH1 ARG A 31 -1.314 7.408 -11.032 1.00 0.00 N ATOM 482 NH2 ARG A 31 -2.050 9.522 -11.338 1.00 0.00 N ATOM 0 H ARG A 31 -0.192 8.874 -4.623 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.992 8.600 -4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.809 6.855 -5.764 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.520 6.631 -6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.619 9.081 -6.822 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.873 9.133 -6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.769 7.117 -8.256 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.500 7.268 -8.482 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.052 9.776 -8.987 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.947 6.681 -10.418 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.473 7.209 -12.020 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.258 10.447 -10.963 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.210 9.324 -12.326 1.00 0.00 H new ATOM 496 N VAL A 32 -1.236 6.333 -2.911 1.00 0.00 N ATOM 497 CA VAL A 32 -1.348 5.283 -1.912 1.00 0.00 C ATOM 498 C VAL A 32 -1.993 5.841 -0.646 1.00 0.00 C ATOM 499 O VAL A 32 -2.949 5.271 -0.122 1.00 0.00 O ATOM 500 CB VAL A 32 0.036 4.716 -1.585 1.00 0.00 C ATOM 501 CG1 VAL A 32 -0.057 3.826 -0.348 1.00 0.00 C ATOM 502 CG2 VAL A 32 0.538 3.887 -2.770 1.00 0.00 C ATOM 0 H VAL A 32 -0.281 6.586 -3.163 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.972 4.482 -2.309 1.00 0.00 H new ATOM 0 HB VAL A 32 0.728 5.536 -1.392 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.928 3.422 -0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.417 4.413 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.749 3.006 -0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.523 3.482 -2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.155 3.068 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.604 4.520 -3.655 1.00 0.00 H new ATOM 512 N LYS A 33 -1.468 6.965 -0.168 1.00 0.00 N ATOM 513 CA LYS A 33 -2.002 7.601 1.026 1.00 0.00 C ATOM 514 C LYS A 33 -3.448 8.039 0.818 1.00 0.00 C ATOM 515 O LYS A 33 -4.291 7.879 1.701 1.00 0.00 O ATOM 516 CB LYS A 33 -1.163 8.824 1.377 1.00 0.00 C ATOM 517 CG LYS A 33 0.249 8.390 1.767 1.00 0.00 C ATOM 518 CD LYS A 33 1.012 9.598 2.310 1.00 0.00 C ATOM 519 CE LYS A 33 2.481 9.231 2.523 1.00 0.00 C ATOM 520 NZ LYS A 33 2.806 9.303 3.976 1.00 0.00 N ATOM 0 H LYS A 33 -0.676 7.451 -0.589 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.968 6.873 1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.122 9.504 0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.626 9.370 2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.206 7.603 2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.767 7.976 0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.934 10.432 1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.570 9.926 3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.674 8.227 2.146 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.122 9.911 1.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.805 9.053 4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.637 10.269 4.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.203 8.637 4.500 1.00 0.00 H new ATOM 534 N ASN A 34 -3.716 8.614 -0.348 1.00 0.00 N ATOM 535 CA ASN A 34 -5.049 9.103 -0.663 1.00 0.00 C ATOM 536 C ASN A 34 -6.077 7.972 -0.658 1.00 0.00 C ATOM 537 O ASN A 34 -7.160 8.111 -0.090 1.00 0.00 O ATOM 538 CB ASN A 34 -5.020 9.779 -2.033 1.00 0.00 C ATOM 539 CG ASN A 34 -4.071 10.977 -1.999 1.00 0.00 C ATOM 540 OD1 ASN A 34 -3.275 11.206 -3.012 1.00 0.00 O flip ATOM 541 ND2 ASN A 34 -4.050 11.723 -1.021 1.00 0.00 N flip ATOM 0 H ASN A 34 -3.028 8.752 -1.089 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.346 9.820 0.102 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.696 9.068 -2.793 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -6.023 10.105 -2.309 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.670 11.546 -0.231 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.413 12.519 -1.000 1.00 0.00 H new ATOM 548 N ILE A 35 -5.732 6.856 -1.289 1.00 0.00 N ATOM 549 CA ILE A 35 -6.637 5.711 -1.339 1.00 0.00 C ATOM 550 C ILE A 35 -6.788 5.077 0.040 1.00 0.00 C ATOM 551 O ILE A 35 -7.902 4.832 0.504 1.00 0.00 O ATOM 552 CB ILE A 35 -6.104 4.669 -2.315 1.00 0.00 C ATOM 553 CG1 ILE A 35 -6.025 5.276 -3.717 1.00 0.00 C ATOM 554 CG2 ILE A 35 -7.046 3.463 -2.336 1.00 0.00 C ATOM 555 CD1 ILE A 35 -5.208 4.356 -4.625 1.00 0.00 C ATOM 0 H ILE A 35 -4.842 6.718 -1.769 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.613 6.064 -1.673 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.110 4.351 -2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.027 5.410 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.565 6.263 -3.672 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.666 2.717 -3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.105 3.030 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.039 3.783 -2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.151 4.788 -5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.202 4.245 -4.220 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.687 3.379 -4.679 1.00 0.00 H new ATOM 567 N LEU A 36 -5.658 4.812 0.692 1.00 0.00 N ATOM 568 CA LEU A 36 -5.680 4.207 2.020 1.00 0.00 C ATOM 569 C LEU A 36 -6.433 5.101 2.991 1.00 0.00 C ATOM 570 O LEU A 36 -7.208 4.624 3.819 1.00 0.00 O ATOM 571 CB LEU A 36 -4.254 3.995 2.527 1.00 0.00 C ATOM 572 CG LEU A 36 -3.544 2.970 1.645 1.00 0.00 C ATOM 573 CD1 LEU A 36 -2.093 2.826 2.105 1.00 0.00 C ATOM 574 CD2 LEU A 36 -4.254 1.620 1.771 1.00 0.00 C ATOM 0 H LEU A 36 -4.725 5.004 0.327 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.185 3.243 1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.709 4.939 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.272 3.650 3.561 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.566 3.300 0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.583 2.095 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.588 3.789 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.072 2.492 3.142 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.751 0.884 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.227 1.290 2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.291 1.723 1.450 1.00 0.00 H new ATOM 586 N ALA A 37 -6.214 6.401 2.870 1.00 0.00 N ATOM 587 CA ALA A 37 -6.892 7.354 3.728 1.00 0.00 C ATOM 588 C ALA A 37 -8.377 7.351 3.404 1.00 0.00 C ATOM 589 O ALA A 37 -9.199 7.840 4.178 1.00 0.00 O ATOM 590 CB ALA A 37 -6.316 8.755 3.515 1.00 0.00 C ATOM 0 H ALA A 37 -5.576 6.816 2.191 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.745 7.070 4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.832 9.463 4.164 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.253 8.752 3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.453 9.050 2.475 1.00 0.00 H new ATOM 596 N ALA A 38 -8.709 6.797 2.240 1.00 0.00 N ATOM 597 CA ALA A 38 -10.096 6.736 1.808 1.00 0.00 C ATOM 598 C ALA A 38 -10.811 5.536 2.423 1.00 0.00 C ATOM 599 O ALA A 38 -12.036 5.434 2.357 1.00 0.00 O ATOM 600 CB ALA A 38 -10.161 6.640 0.283 1.00 0.00 C ATOM 0 H ALA A 38 -8.041 6.388 1.587 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.595 7.645 2.143 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.203 6.595 -0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.685 7.516 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.641 5.741 -0.047 1.00 0.00 H new ATOM 606 N VAL A 39 -10.043 4.626 3.015 1.00 0.00 N ATOM 607 CA VAL A 39 -10.627 3.436 3.627 1.00 0.00 C ATOM 608 C VAL A 39 -11.073 3.721 5.058 1.00 0.00 C ATOM 609 O VAL A 39 -11.792 2.926 5.663 1.00 0.00 O ATOM 610 CB VAL A 39 -9.609 2.293 3.623 1.00 0.00 C ATOM 611 CG1 VAL A 39 -8.584 2.513 4.738 1.00 0.00 C ATOM 612 CG2 VAL A 39 -10.339 0.968 3.857 1.00 0.00 C ATOM 0 H VAL A 39 -9.027 4.687 3.084 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.501 3.147 3.043 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.096 2.266 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.860 1.698 4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.067 3.459 4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.094 2.540 5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -9.618 0.150 3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.850 0.999 4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.069 0.810 3.063 1.00 0.00 H new ATOM 622 N GLU A 40 -10.644 4.859 5.593 1.00 0.00 N ATOM 623 CA GLU A 40 -11.010 5.235 6.954 1.00 0.00 C ATOM 624 C GLU A 40 -11.010 4.012 7.869 1.00 0.00 C ATOM 625 O GLU A 40 -9.952 3.509 8.246 1.00 0.00 O ATOM 626 CB GLU A 40 -12.395 5.886 6.959 1.00 0.00 C ATOM 627 CG GLU A 40 -12.342 7.194 6.168 1.00 0.00 C ATOM 628 CD GLU A 40 -13.699 7.887 6.218 1.00 0.00 C ATOM 629 OE1 GLU A 40 -14.640 7.271 6.689 1.00 0.00 O ATOM 630 OE2 GLU A 40 -13.777 9.026 5.784 1.00 0.00 O ATOM 0 H GLU A 40 -10.048 5.532 5.111 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.274 5.948 7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.128 5.211 6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.715 6.080 7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.575 7.848 6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.065 6.992 5.133 1.00 0.00 H new ATOM 637 N ALA A 41 -12.203 3.541 8.221 1.00 0.00 N ATOM 638 CA ALA A 41 -12.326 2.379 9.094 1.00 0.00 C ATOM 639 C ALA A 41 -11.673 2.652 10.443 1.00 0.00 C ATOM 640 O ALA A 41 -10.736 3.446 10.541 1.00 0.00 O ATOM 641 CB ALA A 41 -11.661 1.164 8.444 1.00 0.00 C ATOM 0 H ALA A 41 -13.091 3.942 7.918 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.386 2.176 9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.757 0.301 9.103 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.146 0.950 7.492 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.605 1.375 8.274 1.00 0.00 H new ATOM 647 N THR A 42 -12.169 1.990 11.483 1.00 0.00 N ATOM 648 CA THR A 42 -11.620 2.173 12.821 1.00 0.00 C ATOM 649 C THR A 42 -10.210 1.600 12.901 1.00 0.00 C ATOM 650 O THR A 42 -9.558 1.668 13.943 1.00 0.00 O ATOM 651 CB THR A 42 -12.514 1.487 13.858 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.606 0.100 13.560 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.909 2.115 13.832 1.00 0.00 C ATOM 0 H THR A 42 -12.943 1.328 11.426 1.00 0.00 H new ATOM 0 HA THR A 42 -11.580 3.241 13.033 1.00 0.00 H new ATOM 0 HB THR A 42 -12.083 1.616 14.851 1.00 0.00 H new ATOM 0 HG1 THR A 42 -13.177 -0.340 14.224 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.543 1.625 14.571 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.834 3.177 14.066 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.345 1.991 12.841 1.00 0.00 H new ATOM 661 N VAL A 43 -9.749 1.031 11.793 1.00 0.00 N ATOM 662 CA VAL A 43 -8.422 0.446 11.738 1.00 0.00 C ATOM 663 C VAL A 43 -7.592 1.108 10.641 1.00 0.00 C ATOM 664 O VAL A 43 -7.487 0.593 9.529 1.00 0.00 O ATOM 665 CB VAL A 43 -8.540 -1.051 11.466 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.869 -1.784 12.769 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.660 -1.298 10.449 1.00 0.00 C ATOM 0 H VAL A 43 -10.277 0.964 10.923 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.923 0.606 12.694 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.596 -1.422 11.068 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.953 -2.853 12.574 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.075 -1.609 13.495 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.813 -1.412 13.167 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.745 -2.367 10.254 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.603 -0.926 10.849 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.429 -0.777 9.520 1.00 0.00 H new ATOM 677 N PRO A 44 -7.012 2.237 10.945 1.00 0.00 N ATOM 678 CA PRO A 44 -6.176 3.002 9.980 1.00 0.00 C ATOM 679 C PRO A 44 -4.861 2.291 9.674 1.00 0.00 C ATOM 680 O PRO A 44 -4.381 1.484 10.470 1.00 0.00 O ATOM 681 CB PRO A 44 -5.931 4.358 10.655 1.00 0.00 C ATOM 682 CG PRO A 44 -6.647 4.335 11.972 1.00 0.00 C ATOM 683 CD PRO A 44 -7.087 2.898 12.248 1.00 0.00 C ATOM 0 HA PRO A 44 -6.675 3.106 9.017 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.864 4.528 10.800 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.301 5.171 10.030 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -5.993 4.692 12.767 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.511 4.999 11.947 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.435 2.416 12.976 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.098 2.863 12.653 1.00 0.00 H new ATOM 691 N ILE A 45 -4.291 2.586 8.510 1.00 0.00 N ATOM 692 CA ILE A 45 -3.038 1.959 8.101 1.00 0.00 C ATOM 693 C ILE A 45 -1.867 2.925 8.226 1.00 0.00 C ATOM 694 O ILE A 45 -1.998 4.114 7.934 1.00 0.00 O ATOM 695 CB ILE A 45 -3.138 1.494 6.649 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.389 0.631 6.473 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.893 0.677 6.288 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.509 1.474 5.857 1.00 0.00 C ATOM 0 H ILE A 45 -4.673 3.250 7.837 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.864 1.108 8.760 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.204 2.362 5.993 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.168 -0.223 5.832 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.707 0.232 7.436 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.964 0.345 5.252 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.004 1.295 6.411 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.825 -0.191 6.944 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.400 0.859 5.732 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.737 2.313 6.515 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.189 1.851 4.886 1.00 0.00 H new ATOM 710 N SER A 46 -0.714 2.401 8.633 1.00 0.00 N ATOM 711 CA SER A 46 0.479 3.226 8.761 1.00 0.00 C ATOM 712 C SER A 46 1.371 3.001 7.546 1.00 0.00 C ATOM 713 O SER A 46 1.824 1.884 7.301 1.00 0.00 O ATOM 714 CB SER A 46 1.239 2.862 10.036 1.00 0.00 C ATOM 715 OG SER A 46 2.292 3.796 10.240 1.00 0.00 O ATOM 0 H SER A 46 -0.583 1.419 8.877 1.00 0.00 H new ATOM 0 HA SER A 46 0.189 4.275 8.817 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.562 2.868 10.890 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.643 1.853 9.956 1.00 0.00 H new ATOM 0 HG SER A 46 2.780 3.566 11.058 1.00 0.00 H new ATOM 721 N LEU A 47 1.600 4.057 6.776 1.00 0.00 N ATOM 722 CA LEU A 47 2.420 3.942 5.577 1.00 0.00 C ATOM 723 C LEU A 47 3.825 4.481 5.821 1.00 0.00 C ATOM 724 O LEU A 47 3.999 5.644 6.181 1.00 0.00 O ATOM 725 CB LEU A 47 1.769 4.725 4.435 1.00 0.00 C ATOM 726 CG LEU A 47 2.192 4.155 3.074 1.00 0.00 C ATOM 727 CD1 LEU A 47 1.889 5.184 1.986 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.691 3.846 3.058 1.00 0.00 C ATOM 0 H LEU A 47 1.235 4.992 6.957 1.00 0.00 H new ATOM 0 HA LEU A 47 2.494 2.887 5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.684 4.683 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.054 5.775 4.499 1.00 0.00 H new ATOM 0 HG LEU A 47 1.639 3.233 2.894 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.187 4.786 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.821 5.400 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.443 6.101 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.969 3.443 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.253 4.761 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.920 3.114 3.832 1.00 0.00 H new ATOM 740 N GLN A 48 4.822 3.633 5.601 1.00 0.00 N ATOM 741 CA GLN A 48 6.203 4.035 5.778 1.00 0.00 C ATOM 742 C GLN A 48 6.999 3.747 4.508 1.00 0.00 C ATOM 743 O GLN A 48 6.833 2.703 3.881 1.00 0.00 O ATOM 744 CB GLN A 48 6.814 3.283 6.956 1.00 0.00 C ATOM 745 CG GLN A 48 6.470 4.003 8.260 1.00 0.00 C ATOM 746 CD GLN A 48 7.220 3.360 9.421 1.00 0.00 C ATOM 747 OE1 GLN A 48 7.930 2.284 9.211 1.00 0.00 O flip ATOM 748 NE2 GLN A 48 7.161 3.851 10.549 1.00 0.00 N flip ATOM 0 H GLN A 48 4.696 2.666 5.301 1.00 0.00 H new ATOM 0 HA GLN A 48 6.237 5.105 5.981 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.436 2.261 6.983 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.896 3.220 6.838 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.735 5.058 8.184 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.396 3.956 8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 48 6.606 4.691 10.711 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.667 3.417 11.321 1.00 0.00 H new ATOM 757 N VAL A 49 7.860 4.679 4.132 1.00 0.00 N ATOM 758 CA VAL A 49 8.671 4.511 2.933 1.00 0.00 C ATOM 759 C VAL A 49 10.077 4.074 3.295 1.00 0.00 C ATOM 760 O VAL A 49 10.691 4.618 4.212 1.00 0.00 O ATOM 761 CB VAL A 49 8.753 5.815 2.140 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.455 5.557 0.803 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.342 6.351 1.885 1.00 0.00 C ATOM 0 H VAL A 49 8.016 5.553 4.634 1.00 0.00 H new ATOM 0 HA VAL A 49 8.193 3.745 2.322 1.00 0.00 H new ATOM 0 HB VAL A 49 9.320 6.551 2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.514 6.487 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.461 5.180 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.890 4.820 0.232 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.403 7.281 1.319 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.771 5.617 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.846 6.537 2.838 1.00 0.00 H new ATOM 773 N ILE A 50 10.592 3.109 2.553 1.00 0.00 N ATOM 774 CA ILE A 50 11.937 2.630 2.791 1.00 0.00 C ATOM 775 C ILE A 50 12.788 2.938 1.572 1.00 0.00 C ATOM 776 O ILE A 50 12.384 2.672 0.442 1.00 0.00 O ATOM 777 CB ILE A 50 11.923 1.129 3.066 1.00 0.00 C ATOM 778 CG1 ILE A 50 10.905 0.845 4.175 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.315 0.682 3.516 1.00 0.00 C ATOM 780 CD1 ILE A 50 11.054 -0.597 4.669 1.00 0.00 C ATOM 0 H ILE A 50 10.102 2.647 1.787 1.00 0.00 H new ATOM 0 HA ILE A 50 12.356 3.129 3.665 1.00 0.00 H new ATOM 0 HB ILE A 50 11.649 0.584 2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.054 1.538 5.003 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.894 1.007 3.802 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.307 -0.390 3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 50 14.039 0.901 2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.592 1.216 4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.326 -0.789 5.457 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.882 -1.285 3.841 1.00 0.00 H new ATOM 0 HD13 ILE A 50 12.060 -0.745 5.061 1.00 0.00 H new ATOM 792 N ASN A 51 13.953 3.517 1.801 1.00 0.00 N ATOM 793 CA ASN A 51 14.825 3.870 0.702 1.00 0.00 C ATOM 794 C ASN A 51 15.599 2.649 0.230 1.00 0.00 C ATOM 795 O ASN A 51 16.493 2.161 0.922 1.00 0.00 O ATOM 796 CB ASN A 51 15.803 4.961 1.142 1.00 0.00 C ATOM 797 CG ASN A 51 15.067 6.284 1.315 1.00 0.00 C ATOM 798 OD1 ASN A 51 15.254 6.974 2.317 1.00 0.00 O ATOM 799 ND2 ASN A 51 14.240 6.684 0.389 1.00 0.00 N ATOM 0 H ASN A 51 14.312 3.749 2.727 1.00 0.00 H new ATOM 0 HA ASN A 51 14.216 4.243 -0.121 1.00 0.00 H new ATOM 0 HB2 ASN A 51 16.280 4.676 2.080 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.595 5.071 0.401 1.00 0.00 H new ATOM 0 HD21 ASN A 51 13.747 7.570 0.494 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.087 6.110 -0.440 1.00 0.00 H new ATOM 806 N VAL A 52 15.247 2.159 -0.950 1.00 0.00 N ATOM 807 CA VAL A 52 15.915 0.990 -1.507 1.00 0.00 C ATOM 808 C VAL A 52 17.414 1.244 -1.598 1.00 0.00 C ATOM 809 O VAL A 52 18.215 0.309 -1.630 1.00 0.00 O ATOM 810 CB VAL A 52 15.358 0.692 -2.900 1.00 0.00 C ATOM 811 CG1 VAL A 52 13.845 0.493 -2.813 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.658 1.870 -3.831 1.00 0.00 C ATOM 0 H VAL A 52 14.509 2.548 -1.537 1.00 0.00 H new ATOM 0 HA VAL A 52 15.736 0.134 -0.857 1.00 0.00 H new ATOM 0 HB VAL A 52 15.824 -0.213 -3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.448 0.281 -3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.626 -0.342 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.381 1.399 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.262 1.659 -4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.190 2.773 -3.438 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.736 2.018 -3.895 1.00 0.00 H new ATOM 822 N ALA A 53 17.781 2.518 -1.639 1.00 0.00 N ATOM 823 CA ALA A 53 19.181 2.900 -1.724 1.00 0.00 C ATOM 824 C ALA A 53 19.879 2.684 -0.387 1.00 0.00 C ATOM 825 O ALA A 53 21.107 2.734 -0.306 1.00 0.00 O ATOM 826 CB ALA A 53 19.291 4.374 -2.123 1.00 0.00 C ATOM 0 H ALA A 53 17.129 3.302 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 53 19.664 2.277 -2.477 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.342 4.657 -2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.816 4.525 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.793 4.991 -1.375 1.00 0.00 H new ATOM 832 N ASP A 54 19.096 2.461 0.665 1.00 0.00 N ATOM 833 CA ASP A 54 19.670 2.262 1.985 1.00 0.00 C ATOM 834 C ASP A 54 19.855 0.782 2.296 1.00 0.00 C ATOM 835 O ASP A 54 20.860 0.389 2.889 1.00 0.00 O ATOM 836 CB ASP A 54 18.770 2.897 3.048 1.00 0.00 C ATOM 837 CG ASP A 54 18.760 4.413 2.886 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.590 4.917 2.148 1.00 0.00 O ATOM 839 OD2 ASP A 54 17.920 5.049 3.504 1.00 0.00 O ATOM 0 H ASP A 54 18.078 2.415 0.628 1.00 0.00 H new ATOM 0 HA ASP A 54 20.650 2.739 1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.756 2.507 2.958 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.126 2.632 4.043 1.00 0.00 H new ATOM 844 N GLN A 55 18.880 -0.040 1.915 1.00 0.00 N ATOM 845 CA GLN A 55 18.972 -1.465 2.193 1.00 0.00 C ATOM 846 C GLN A 55 18.479 -2.313 1.021 1.00 0.00 C ATOM 847 O GLN A 55 17.359 -2.819 1.031 1.00 0.00 O ATOM 848 CB GLN A 55 18.173 -1.783 3.455 1.00 0.00 C ATOM 849 CG GLN A 55 16.674 -1.652 3.179 1.00 0.00 C ATOM 850 CD GLN A 55 15.961 -1.148 4.429 1.00 0.00 C ATOM 851 OE1 GLN A 55 15.674 -1.929 5.338 1.00 0.00 O ATOM 852 NE2 GLN A 55 15.656 0.116 4.532 1.00 0.00 N ATOM 0 H GLN A 55 18.035 0.251 1.423 1.00 0.00 H new ATOM 0 HA GLN A 55 20.022 -1.715 2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 55 18.401 -2.794 3.793 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.463 -1.105 4.258 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.506 -0.963 2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.264 -2.617 2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.894 0.761 3.779 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.179 0.459 5.366 1.00 0.00 H new ATOM 861 N PRO A 56 19.308 -2.492 0.029 1.00 0.00 N ATOM 862 CA PRO A 56 18.977 -3.315 -1.164 1.00 0.00 C ATOM 863 C PRO A 56 18.982 -4.803 -0.827 1.00 0.00 C ATOM 864 O PRO A 56 18.589 -5.643 -1.638 1.00 0.00 O ATOM 865 CB PRO A 56 20.073 -2.987 -2.186 1.00 0.00 C ATOM 866 CG PRO A 56 20.989 -1.984 -1.547 1.00 0.00 C ATOM 867 CD PRO A 56 20.656 -1.928 -0.056 1.00 0.00 C ATOM 0 HA PRO A 56 17.979 -3.094 -1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.622 -3.887 -2.464 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.638 -2.583 -3.100 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.030 -2.270 -1.695 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.859 -1.003 -2.004 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.368 -2.506 0.534 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.685 -0.906 0.321 1.00 0.00 H new ATOM 875 N GLN A 57 19.453 -5.112 0.375 1.00 0.00 N ATOM 876 CA GLN A 57 19.542 -6.494 0.828 1.00 0.00 C ATOM 877 C GLN A 57 18.166 -7.092 1.099 1.00 0.00 C ATOM 878 O GLN A 57 17.883 -8.213 0.679 1.00 0.00 O ATOM 879 CB GLN A 57 20.375 -6.552 2.111 1.00 0.00 C ATOM 880 CG GLN A 57 20.176 -7.905 2.800 1.00 0.00 C ATOM 881 CD GLN A 57 21.056 -7.990 4.043 1.00 0.00 C ATOM 882 OE1 GLN A 57 22.269 -7.799 3.959 1.00 0.00 O ATOM 883 NE2 GLN A 57 20.515 -8.262 5.199 1.00 0.00 N ATOM 0 H GLN A 57 19.779 -4.424 1.054 1.00 0.00 H new ATOM 0 HA GLN A 57 20.013 -7.076 0.036 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.429 -6.404 1.877 1.00 0.00 H new ATOM 0 HB3 GLN A 57 20.081 -5.745 2.783 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.129 -8.032 3.076 1.00 0.00 H new ATOM 0 HG3 GLN A 57 20.425 -8.713 2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 57 19.510 -8.420 5.267 1.00 0.00 H new ATOM 0 HE22 GLN A 57 21.098 -8.317 6.035 1.00 0.00 H new ATOM 892 N LEU A 58 17.318 -6.359 1.807 1.00 0.00 N ATOM 893 CA LEU A 58 15.993 -6.870 2.115 1.00 0.00 C ATOM 894 C LEU A 58 15.137 -6.865 0.855 1.00 0.00 C ATOM 895 O LEU A 58 14.229 -7.682 0.704 1.00 0.00 O ATOM 896 CB LEU A 58 15.345 -6.030 3.221 1.00 0.00 C ATOM 897 CG LEU A 58 14.516 -4.901 2.611 1.00 0.00 C ATOM 898 CD1 LEU A 58 13.201 -5.477 2.075 1.00 0.00 C ATOM 899 CD2 LEU A 58 14.209 -3.854 3.688 1.00 0.00 C ATOM 0 H LEU A 58 17.519 -5.428 2.172 1.00 0.00 H new ATOM 0 HA LEU A 58 16.076 -7.895 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.710 -6.662 3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.115 -5.615 3.871 1.00 0.00 H new ATOM 0 HG LEU A 58 15.073 -4.434 1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.604 -4.676 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 58 13.416 -6.226 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.646 -5.939 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 58 13.618 -3.048 3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 58 13.648 -4.319 4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.143 -3.449 4.078 1.00 0.00 H new ATOM 911 N VAL A 59 15.446 -5.946 -0.054 1.00 0.00 N ATOM 912 CA VAL A 59 14.709 -5.850 -1.306 1.00 0.00 C ATOM 913 C VAL A 59 14.871 -7.150 -2.092 1.00 0.00 C ATOM 914 O VAL A 59 13.899 -7.702 -2.604 1.00 0.00 O ATOM 915 CB VAL A 59 15.238 -4.666 -2.119 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.329 -4.426 -3.322 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.254 -3.412 -1.241 1.00 0.00 C ATOM 0 H VAL A 59 16.196 -5.263 0.052 1.00 0.00 H new ATOM 0 HA VAL A 59 13.650 -5.692 -1.101 1.00 0.00 H new ATOM 0 HB VAL A 59 16.249 -4.886 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.706 -3.583 -3.901 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.312 -5.318 -3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.319 -4.206 -2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.631 -2.568 -1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.242 -3.195 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.901 -3.579 -0.380 1.00 0.00 H new ATOM 927 N GLU A 60 16.102 -7.651 -2.161 1.00 0.00 N ATOM 928 CA GLU A 60 16.364 -8.905 -2.865 1.00 0.00 C ATOM 929 C GLU A 60 15.755 -10.078 -2.105 1.00 0.00 C ATOM 930 O GLU A 60 15.324 -11.062 -2.707 1.00 0.00 O ATOM 931 CB GLU A 60 17.870 -9.123 -3.025 1.00 0.00 C ATOM 932 CG GLU A 60 18.444 -8.057 -3.960 1.00 0.00 C ATOM 933 CD GLU A 60 19.922 -8.327 -4.217 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.477 -9.175 -3.538 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.478 -7.682 -5.091 1.00 0.00 O ATOM 0 H GLU A 60 16.925 -7.215 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 60 15.907 -8.844 -3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.361 -9.072 -2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.063 -10.117 -3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.897 -8.056 -4.903 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.318 -7.069 -3.518 1.00 0.00 H new ATOM 942 N TYR A 61 15.717 -9.969 -0.778 1.00 0.00 N ATOM 943 CA TYR A 61 15.152 -11.035 0.040 1.00 0.00 C ATOM 944 C TYR A 61 13.737 -11.346 -0.425 1.00 0.00 C ATOM 945 O TYR A 61 13.348 -12.507 -0.539 1.00 0.00 O ATOM 946 CB TYR A 61 15.128 -10.621 1.511 1.00 0.00 C ATOM 947 CG TYR A 61 14.635 -11.778 2.345 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.542 -12.723 2.837 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.269 -11.910 2.619 1.00 0.00 C ATOM 950 CE1 TYR A 61 15.085 -13.799 3.606 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.810 -12.987 3.388 1.00 0.00 C ATOM 952 CZ TYR A 61 13.719 -13.931 3.882 1.00 0.00 C ATOM 953 OH TYR A 61 13.268 -14.993 4.641 1.00 0.00 O ATOM 0 H TYR A 61 16.065 -9.166 -0.255 1.00 0.00 H new ATOM 0 HA TYR A 61 15.774 -11.924 -0.067 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.126 -10.324 1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.478 -9.756 1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.596 -12.622 2.623 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.569 -11.182 2.238 1.00 0.00 H new ATOM 0 HE1 TYR A 61 15.786 -14.527 3.986 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.756 -13.089 3.600 1.00 0.00 H new ATOM 0 HH TYR A 61 12.295 -14.935 4.739 1.00 0.00 H new ATOM 963 N TYR A 62 12.981 -10.295 -0.713 1.00 0.00 N ATOM 964 CA TYR A 62 11.618 -10.448 -1.192 1.00 0.00 C ATOM 965 C TYR A 62 11.632 -10.675 -2.695 1.00 0.00 C ATOM 966 O TYR A 62 10.605 -10.538 -3.362 1.00 0.00 O ATOM 967 CB TYR A 62 10.815 -9.184 -0.893 1.00 0.00 C ATOM 968 CG TYR A 62 10.562 -9.056 0.589 1.00 0.00 C ATOM 969 CD1 TYR A 62 9.893 -10.072 1.280 1.00 0.00 C ATOM 970 CD2 TYR A 62 10.993 -7.913 1.271 1.00 0.00 C ATOM 971 CE1 TYR A 62 9.655 -9.944 2.654 1.00 0.00 C ATOM 972 CE2 TYR A 62 10.754 -7.783 2.642 1.00 0.00 C ATOM 973 CZ TYR A 62 10.086 -8.799 3.335 1.00 0.00 C ATOM 974 OH TYR A 62 9.850 -8.673 4.689 1.00 0.00 O ATOM 0 H TYR A 62 13.291 -9.327 -0.622 1.00 0.00 H new ATOM 0 HA TYR A 62 11.160 -11.299 -0.689 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.356 -8.309 -1.252 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.866 -9.214 -1.429 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.560 -10.955 0.754 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.511 -7.130 0.737 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.139 -10.728 3.188 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.085 -6.899 3.166 1.00 0.00 H new ATOM 0 HH TYR A 62 10.214 -7.820 5.007 1.00 0.00 H new ATOM 984 N ARG A 63 12.809 -10.987 -3.229 1.00 0.00 N ATOM 985 CA ARG A 63 12.946 -11.187 -4.661 1.00 0.00 C ATOM 986 C ARG A 63 12.558 -9.900 -5.366 1.00 0.00 C ATOM 987 O ARG A 63 12.529 -9.817 -6.593 1.00 0.00 O ATOM 988 CB ARG A 63 12.052 -12.333 -5.128 1.00 0.00 C ATOM 989 CG ARG A 63 12.571 -13.645 -4.544 1.00 0.00 C ATOM 990 CD ARG A 63 11.777 -14.805 -5.135 1.00 0.00 C ATOM 991 NE ARG A 63 10.357 -14.641 -4.849 1.00 0.00 N ATOM 992 CZ ARG A 63 9.433 -14.963 -5.747 1.00 0.00 C ATOM 993 NH1 ARG A 63 9.505 -16.104 -6.375 1.00 0.00 N ATOM 994 NH2 ARG A 63 8.455 -14.138 -6.003 1.00 0.00 N ATOM 0 H ARG A 63 13.671 -11.105 -2.696 1.00 0.00 H new ATOM 0 HA ARG A 63 13.978 -11.446 -4.899 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.024 -12.161 -4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 63 12.044 -12.384 -6.217 1.00 0.00 H new ATOM 0 HG2 ARG A 63 13.631 -13.763 -4.768 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.474 -13.638 -3.458 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.935 -14.852 -6.212 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.133 -15.748 -4.719 1.00 0.00 H new ATOM 0 HE ARG A 63 10.068 -14.272 -3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.271 -16.748 -6.176 1.00 0.00 H new ATOM 0 HH12 ARG A 63 8.796 -16.352 -7.065 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.400 -13.245 -5.513 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.746 -14.386 -6.693 1.00 0.00 H new ATOM 1008 N LEU A 64 12.268 -8.893 -4.552 1.00 0.00 N ATOM 1009 CA LEU A 64 11.887 -7.583 -5.050 1.00 0.00 C ATOM 1010 C LEU A 64 13.062 -6.980 -5.819 1.00 0.00 C ATOM 1011 O LEU A 64 14.184 -6.947 -5.319 1.00 0.00 O ATOM 1012 CB LEU A 64 11.513 -6.700 -3.847 1.00 0.00 C ATOM 1013 CG LEU A 64 10.631 -5.526 -4.272 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.413 -4.594 -5.187 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.393 -6.047 -5.001 1.00 0.00 C ATOM 0 H LEU A 64 12.291 -8.963 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 64 11.033 -7.655 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.990 -7.299 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.420 -6.324 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 64 10.320 -4.975 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.778 -3.760 -5.486 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.287 -4.213 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.735 -5.140 -6.074 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.767 -5.207 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.700 -6.606 -5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.828 -6.701 -4.337 1.00 0.00 H new ATOM 1027 N VAL A 65 12.810 -6.529 -7.041 1.00 0.00 N ATOM 1028 CA VAL A 65 13.875 -5.951 -7.861 1.00 0.00 C ATOM 1029 C VAL A 65 13.372 -4.748 -8.656 1.00 0.00 C ATOM 1030 O VAL A 65 14.162 -4.030 -9.269 1.00 0.00 O ATOM 1031 CB VAL A 65 14.430 -6.997 -8.835 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.806 -6.551 -9.333 1.00 0.00 C ATOM 1033 CG2 VAL A 65 14.563 -8.346 -8.127 1.00 0.00 C ATOM 0 H VAL A 65 11.892 -6.550 -7.485 1.00 0.00 H new ATOM 0 HA VAL A 65 14.664 -5.622 -7.185 1.00 0.00 H new ATOM 0 HB VAL A 65 13.748 -7.097 -9.679 1.00 0.00 H new ATOM 0 HG11 VAL A 65 16.201 -7.294 -10.025 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.715 -5.592 -9.843 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.484 -6.448 -8.486 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.958 -9.085 -8.824 1.00 0.00 H new ATOM 0 HG22 VAL A 65 15.242 -8.247 -7.280 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.584 -8.669 -7.772 1.00 0.00 H new ATOM 1043 N VAL A 66 12.060 -4.530 -8.650 1.00 0.00 N ATOM 1044 CA VAL A 66 11.482 -3.416 -9.379 1.00 0.00 C ATOM 1045 C VAL A 66 10.980 -2.352 -8.417 1.00 0.00 C ATOM 1046 O VAL A 66 10.434 -2.664 -7.359 1.00 0.00 O ATOM 1047 CB VAL A 66 10.312 -3.905 -10.226 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.832 -4.731 -11.403 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.391 -4.768 -9.365 1.00 0.00 C ATOM 0 H VAL A 66 11.384 -5.108 -8.151 1.00 0.00 H new ATOM 0 HA VAL A 66 12.254 -2.988 -10.019 1.00 0.00 H new ATOM 0 HB VAL A 66 9.760 -3.046 -10.608 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.991 -5.077 -12.004 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.488 -4.115 -12.018 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.388 -5.590 -11.027 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.553 -5.119 -9.968 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.947 -5.624 -8.983 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.015 -4.177 -8.530 1.00 0.00 H new ATOM 1059 N THR A 67 11.152 -1.096 -8.801 1.00 0.00 N ATOM 1060 CA THR A 67 10.694 0.006 -7.974 1.00 0.00 C ATOM 1061 C THR A 67 10.008 1.056 -8.845 1.00 0.00 C ATOM 1062 O THR A 67 10.335 1.200 -10.024 1.00 0.00 O ATOM 1063 CB THR A 67 11.873 0.628 -7.220 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.976 0.774 -8.105 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.269 -0.282 -6.054 1.00 0.00 C ATOM 0 H THR A 67 11.602 -0.818 -9.673 1.00 0.00 H new ATOM 0 HA THR A 67 9.977 -0.371 -7.244 1.00 0.00 H new ATOM 0 HB THR A 67 11.585 1.606 -6.835 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.731 1.174 -7.624 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.108 0.160 -5.517 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.423 -0.394 -5.376 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.559 -1.260 -6.438 1.00 0.00 H new ATOM 1073 N PRO A 68 9.058 1.778 -8.306 1.00 0.00 N ATOM 1074 CA PRO A 68 8.625 1.643 -6.886 1.00 0.00 C ATOM 1075 C PRO A 68 7.828 0.368 -6.639 1.00 0.00 C ATOM 1076 O PRO A 68 7.285 -0.230 -7.568 1.00 0.00 O ATOM 1077 CB PRO A 68 7.747 2.874 -6.627 1.00 0.00 C ATOM 1078 CG PRO A 68 7.702 3.665 -7.900 1.00 0.00 C ATOM 1079 CD PRO A 68 8.286 2.798 -9.013 1.00 0.00 C ATOM 0 HA PRO A 68 9.486 1.583 -6.221 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.744 2.574 -6.325 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.157 3.475 -5.815 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.677 3.949 -8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.273 4.588 -7.796 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.501 2.351 -9.623 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.917 3.382 -9.683 1.00 0.00 H new ATOM 1087 N ALA A 69 7.765 -0.039 -5.378 1.00 0.00 N ATOM 1088 CA ALA A 69 7.036 -1.241 -5.011 1.00 0.00 C ATOM 1089 C ALA A 69 6.472 -1.091 -3.600 1.00 0.00 C ATOM 1090 O ALA A 69 7.085 -0.451 -2.746 1.00 0.00 O ATOM 1091 CB ALA A 69 7.972 -2.451 -5.062 1.00 0.00 C ATOM 0 H ALA A 69 8.208 0.444 -4.597 1.00 0.00 H new ATOM 0 HA ALA A 69 6.216 -1.390 -5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.420 -3.350 -4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.367 -2.563 -6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.796 -2.303 -4.365 1.00 0.00 H new ATOM 1097 N LEU A 70 5.304 -1.677 -3.358 1.00 0.00 N ATOM 1098 CA LEU A 70 4.679 -1.586 -2.043 1.00 0.00 C ATOM 1099 C LEU A 70 4.484 -2.974 -1.447 1.00 0.00 C ATOM 1100 O LEU A 70 4.046 -3.896 -2.137 1.00 0.00 O ATOM 1101 CB LEU A 70 3.334 -0.872 -2.163 1.00 0.00 C ATOM 1102 CG LEU A 70 2.874 -0.408 -0.784 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.759 0.628 -0.944 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.356 -1.602 0.017 1.00 0.00 C ATOM 0 H LEU A 70 4.776 -2.214 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 70 5.331 -1.017 -1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.423 -0.018 -2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.593 -1.543 -2.598 1.00 0.00 H new ATOM 0 HG LEU A 70 3.714 0.040 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.428 0.961 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.134 1.481 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.920 0.180 -1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.029 -1.266 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.516 -2.056 -0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.153 -2.337 0.131 1.00 0.00 H new ATOM 1116 N VAL A 71 4.828 -3.131 -0.170 1.00 0.00 N ATOM 1117 CA VAL A 71 4.696 -4.432 0.473 1.00 0.00 C ATOM 1118 C VAL A 71 4.043 -4.332 1.851 1.00 0.00 C ATOM 1119 O VAL A 71 4.505 -3.589 2.717 1.00 0.00 O ATOM 1120 CB VAL A 71 6.082 -5.067 0.611 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.936 -6.544 0.980 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.841 -4.940 -0.717 1.00 0.00 C ATOM 0 H VAL A 71 5.193 -2.389 0.428 1.00 0.00 H new ATOM 0 HA VAL A 71 4.050 -5.049 -0.152 1.00 0.00 H new ATOM 0 HB VAL A 71 6.638 -4.553 1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.924 -6.994 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.402 -6.632 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.378 -7.061 0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.828 -5.393 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.286 -5.451 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.950 -3.886 -0.975 1.00 0.00 H new ATOM 1132 N LYS A 72 2.986 -5.119 2.054 1.00 0.00 N ATOM 1133 CA LYS A 72 2.297 -5.149 3.340 1.00 0.00 C ATOM 1134 C LYS A 72 2.907 -6.240 4.206 1.00 0.00 C ATOM 1135 O LYS A 72 3.134 -7.357 3.740 1.00 0.00 O ATOM 1136 CB LYS A 72 0.799 -5.415 3.154 1.00 0.00 C ATOM 1137 CG LYS A 72 0.058 -5.076 4.454 1.00 0.00 C ATOM 1138 CD LYS A 72 -0.517 -6.353 5.071 1.00 0.00 C ATOM 1139 CE LYS A 72 -1.841 -6.692 4.393 1.00 0.00 C ATOM 1140 NZ LYS A 72 -2.963 -6.064 5.149 1.00 0.00 N ATOM 0 H LYS A 72 2.592 -5.740 1.348 1.00 0.00 H new ATOM 0 HA LYS A 72 2.413 -4.179 3.823 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.410 -4.813 2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.634 -6.459 2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.739 -4.596 5.157 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.744 -4.366 4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.187 -7.177 4.951 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.669 -6.216 6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.837 -6.334 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.975 -7.773 4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.612 -6.804 5.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.583 -5.540 5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.478 -5.409 4.526 1.00 0.00 H new ATOM 1154 N ILE A 73 3.194 -5.910 5.459 1.00 0.00 N ATOM 1155 CA ILE A 73 3.807 -6.880 6.358 1.00 0.00 C ATOM 1156 C ILE A 73 2.803 -7.458 7.355 1.00 0.00 C ATOM 1157 O ILE A 73 3.031 -8.536 7.901 1.00 0.00 O ATOM 1158 CB ILE A 73 4.961 -6.231 7.121 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.681 -4.733 7.305 1.00 0.00 C ATOM 1160 CG2 ILE A 73 6.261 -6.419 6.335 1.00 0.00 C ATOM 1161 CD1 ILE A 73 5.271 -3.946 6.132 1.00 0.00 C ATOM 0 H ILE A 73 3.016 -4.994 5.871 1.00 0.00 H new ATOM 0 HA ILE A 73 4.178 -7.699 5.742 1.00 0.00 H new ATOM 0 HB ILE A 73 5.058 -6.701 8.100 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.607 -4.560 7.367 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.115 -4.385 8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.085 -5.956 6.878 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.460 -7.483 6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.165 -5.951 5.355 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.069 -2.884 6.268 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.348 -4.108 6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.817 -4.285 5.201 1.00 0.00 H new ATOM 1173 N GLY A 74 1.698 -6.759 7.595 1.00 0.00 N ATOM 1174 CA GLY A 74 0.711 -7.273 8.540 1.00 0.00 C ATOM 1175 C GLY A 74 -0.096 -6.150 9.190 1.00 0.00 C ATOM 1176 O GLY A 74 0.023 -4.988 8.805 1.00 0.00 O ATOM 0 H GLY A 74 1.467 -5.864 7.165 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.034 -7.954 8.024 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.216 -7.851 9.314 1.00 0.00 H new ATOM 1180 N PRO A 75 -0.913 -6.478 10.165 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.080 -7.877 10.655 1.00 0.00 C ATOM 1182 C PRO A 75 -1.766 -8.777 9.632 1.00 0.00 C ATOM 1183 O PRO A 75 -1.983 -9.962 9.886 1.00 0.00 O ATOM 1184 CB PRO A 75 -1.937 -7.761 11.920 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.232 -6.308 12.132 1.00 0.00 C ATOM 1186 CD PRO A 75 -1.755 -5.535 10.902 1.00 0.00 C ATOM 0 HA PRO A 75 -0.109 -8.335 10.843 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.861 -8.328 11.810 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.410 -8.175 12.780 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.301 -6.156 12.285 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.727 -5.945 13.027 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.597 -5.200 10.296 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.194 -4.645 11.188 1.00 0.00 H new ATOM 1194 N GLY A 76 -2.083 -8.221 8.469 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.716 -9.004 7.417 1.00 0.00 C ATOM 1196 C GLY A 76 -1.670 -9.877 6.733 1.00 0.00 C ATOM 1197 O GLY A 76 -0.505 -9.878 7.130 1.00 0.00 O ATOM 0 H GLY A 76 -1.915 -7.243 8.233 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.506 -9.626 7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.185 -8.342 6.689 1.00 0.00 H new ATOM 1201 N SER A 77 -2.076 -10.616 5.710 1.00 0.00 N ATOM 1202 CA SER A 77 -1.133 -11.474 5.007 1.00 0.00 C ATOM 1203 C SER A 77 -0.057 -10.643 4.326 1.00 0.00 C ATOM 1204 O SER A 77 -0.258 -9.465 4.031 1.00 0.00 O ATOM 1205 CB SER A 77 -1.854 -12.326 3.967 1.00 0.00 C ATOM 1206 OG SER A 77 -0.918 -12.771 2.995 1.00 0.00 O ATOM 0 H SER A 77 -3.032 -10.640 5.354 1.00 0.00 H new ATOM 0 HA SER A 77 -0.664 -12.129 5.741 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.331 -13.180 4.447 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.644 -11.746 3.489 1.00 0.00 H new ATOM 0 HG SER A 77 -1.377 -13.320 2.326 1.00 0.00 H new ATOM 1212 N ARG A 78 1.085 -11.269 4.078 1.00 0.00 N ATOM 1213 CA ARG A 78 2.193 -10.582 3.427 1.00 0.00 C ATOM 1214 C ARG A 78 1.961 -10.531 1.922 1.00 0.00 C ATOM 1215 O ARG A 78 1.630 -11.541 1.301 1.00 0.00 O ATOM 1216 CB ARG A 78 3.507 -11.308 3.726 1.00 0.00 C ATOM 1217 CG ARG A 78 4.680 -10.471 3.215 1.00 0.00 C ATOM 1218 CD ARG A 78 5.996 -11.115 3.657 1.00 0.00 C ATOM 1219 NE ARG A 78 6.233 -12.349 2.917 1.00 0.00 N ATOM 1220 CZ ARG A 78 6.933 -12.348 1.786 1.00 0.00 C ATOM 1221 NH1 ARG A 78 6.412 -11.854 0.697 1.00 0.00 N ATOM 1222 NH2 ARG A 78 8.142 -12.839 1.767 1.00 0.00 N ATOM 0 H ARG A 78 1.269 -12.244 4.315 1.00 0.00 H new ATOM 0 HA ARG A 78 2.253 -9.564 3.813 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.606 -11.476 4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.510 -12.288 3.248 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.644 -10.401 2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.612 -9.455 3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.821 -10.421 3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.964 -11.325 4.726 1.00 0.00 H new ATOM 0 HE ARG A 78 5.856 -13.227 3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.468 -11.468 0.713 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.949 -11.853 -0.170 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.550 -13.223 2.619 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.679 -12.838 0.900 1.00 0.00 H new ATOM 1236 N GLN A 79 2.129 -9.350 1.339 1.00 0.00 N ATOM 1237 CA GLN A 79 1.925 -9.188 -0.096 1.00 0.00 C ATOM 1238 C GLN A 79 2.914 -8.185 -0.673 1.00 0.00 C ATOM 1239 O GLN A 79 3.389 -7.295 0.030 1.00 0.00 O ATOM 1240 CB GLN A 79 0.498 -8.710 -0.362 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.488 -9.820 -0.001 1.00 0.00 C ATOM 1242 CD GLN A 79 -1.913 -9.349 -0.263 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.130 -8.096 -0.560 1.00 0.00 O flip ATOM 1244 NE2 GLN A 79 -2.854 -10.139 -0.189 1.00 0.00 N flip ATOM 0 H GLN A 79 2.403 -8.499 1.831 1.00 0.00 H new ATOM 0 HA GLN A 79 2.086 -10.152 -0.579 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.287 -7.817 0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.385 -8.436 -1.411 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.276 -10.713 -0.589 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.373 -10.095 1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.682 -11.117 0.043 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.806 -9.815 -0.360 1.00 0.00 H new ATOM 1253 N VAL A 80 3.216 -8.335 -1.959 1.00 0.00 N ATOM 1254 CA VAL A 80 4.147 -7.431 -2.620 1.00 0.00 C ATOM 1255 C VAL A 80 3.518 -6.829 -3.872 1.00 0.00 C ATOM 1256 O VAL A 80 3.147 -7.548 -4.800 1.00 0.00 O ATOM 1257 CB VAL A 80 5.417 -8.191 -3.009 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.409 -7.230 -3.665 1.00 0.00 C ATOM 1259 CG2 VAL A 80 6.052 -8.803 -1.759 1.00 0.00 C ATOM 0 H VAL A 80 2.833 -9.067 -2.558 1.00 0.00 H new ATOM 0 HA VAL A 80 4.394 -6.626 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 80 5.161 -8.984 -3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.313 -7.773 -3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.959 -6.796 -4.558 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.663 -6.435 -2.964 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.956 -9.344 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.306 -8.011 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.347 -9.491 -1.292 1.00 0.00 H new ATOM 1269 N LEU A 81 3.422 -5.506 -3.899 1.00 0.00 N ATOM 1270 CA LEU A 81 2.856 -4.813 -5.050 1.00 0.00 C ATOM 1271 C LEU A 81 3.942 -3.994 -5.736 1.00 0.00 C ATOM 1272 O LEU A 81 4.671 -3.253 -5.078 1.00 0.00 O ATOM 1273 CB LEU A 81 1.731 -3.882 -4.600 1.00 0.00 C ATOM 1274 CG LEU A 81 0.733 -4.654 -3.737 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.179 -3.665 -3.016 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.120 -5.564 -4.623 1.00 0.00 C ATOM 0 H LEU A 81 3.727 -4.894 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 81 2.455 -5.550 -5.746 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.143 -3.046 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.225 -3.462 -5.469 1.00 0.00 H new ATOM 0 HG LEU A 81 1.276 -5.258 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.893 -4.211 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.421 -3.011 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.718 -3.066 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.830 -6.113 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.663 -4.959 -5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.525 -6.269 -5.148 1.00 0.00 H new ATOM 1288 N SER A 82 4.054 -4.122 -7.052 1.00 0.00 N ATOM 1289 CA SER A 82 5.072 -3.367 -7.771 1.00 0.00 C ATOM 1290 C SER A 82 4.709 -3.168 -9.230 1.00 0.00 C ATOM 1291 O SER A 82 3.815 -3.819 -9.767 1.00 0.00 O ATOM 1292 CB SER A 82 6.419 -4.078 -7.699 1.00 0.00 C ATOM 1293 OG SER A 82 7.360 -3.366 -8.489 1.00 0.00 O ATOM 0 H SER A 82 3.469 -4.725 -7.631 1.00 0.00 H new ATOM 0 HA SER A 82 5.134 -2.391 -7.289 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.761 -4.134 -6.665 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.324 -5.102 -8.059 1.00 0.00 H new ATOM 0 HG SER A 82 7.496 -2.473 -8.109 1.00 0.00 H new ATOM 1299 N GLY A 83 5.443 -2.264 -9.860 1.00 0.00 N ATOM 1300 CA GLY A 83 5.236 -1.968 -11.276 1.00 0.00 C ATOM 1301 C GLY A 83 4.204 -0.864 -11.478 1.00 0.00 C ATOM 1302 O GLY A 83 3.231 -1.039 -12.211 1.00 0.00 O ATOM 0 H GLY A 83 6.186 -1.722 -9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.182 -1.668 -11.727 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.909 -2.871 -11.792 1.00 0.00 H new ATOM 1306 N ILE A 84 4.432 0.270 -10.827 1.00 0.00 N ATOM 1307 CA ILE A 84 3.527 1.415 -10.933 1.00 0.00 C ATOM 1308 C ILE A 84 2.063 0.986 -10.874 1.00 0.00 C ATOM 1309 O ILE A 84 1.161 1.808 -11.034 1.00 0.00 O ATOM 1310 CB ILE A 84 3.793 2.167 -12.236 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.374 1.308 -13.433 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.285 2.473 -12.333 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.390 2.161 -14.702 1.00 0.00 C ATOM 0 H ILE A 84 5.236 0.425 -10.219 1.00 0.00 H new ATOM 0 HA ILE A 84 3.718 2.070 -10.083 1.00 0.00 H new ATOM 0 HB ILE A 84 3.218 3.093 -12.245 1.00 0.00 H new ATOM 0 HG12 ILE A 84 4.052 0.462 -13.542 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.377 0.899 -13.269 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.487 3.010 -13.260 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.586 3.087 -11.485 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.849 1.540 -12.324 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.092 1.551 -15.554 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.694 2.993 -14.590 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.395 2.549 -14.867 1.00 0.00 H new ATOM 1325 N ASP A 85 1.834 -0.296 -10.630 1.00 0.00 N ATOM 1326 CA ASP A 85 0.475 -0.813 -10.535 1.00 0.00 C ATOM 1327 C ASP A 85 0.057 -0.864 -9.073 1.00 0.00 C ATOM 1328 O ASP A 85 -0.965 -1.450 -8.717 1.00 0.00 O ATOM 1329 CB ASP A 85 0.399 -2.216 -11.144 1.00 0.00 C ATOM 1330 CG ASP A 85 1.199 -3.198 -10.296 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.562 -2.837 -9.189 1.00 0.00 O ATOM 1332 OD2 ASP A 85 1.438 -4.299 -10.767 1.00 0.00 O ATOM 0 H ASP A 85 2.565 -0.994 -10.495 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.198 -0.155 -11.086 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.640 -2.539 -11.205 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.789 -2.201 -12.162 1.00 0.00 H new ATOM 1337 N LEU A 86 0.880 -0.244 -8.233 1.00 0.00 N ATOM 1338 CA LEU A 86 0.636 -0.203 -6.799 1.00 0.00 C ATOM 1339 C LEU A 86 -0.781 0.266 -6.479 1.00 0.00 C ATOM 1340 O LEU A 86 -1.468 -0.332 -5.653 1.00 0.00 O ATOM 1341 CB LEU A 86 1.637 0.751 -6.141 1.00 0.00 C ATOM 1342 CG LEU A 86 3.029 0.110 -6.094 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.630 0.068 -7.501 1.00 0.00 C ATOM 1344 CD2 LEU A 86 3.938 0.942 -5.185 1.00 0.00 C ATOM 0 H LEU A 86 1.728 0.240 -8.526 1.00 0.00 H new ATOM 0 HA LEU A 86 0.756 -1.214 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.678 1.687 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.307 0.996 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 86 2.944 -0.905 -5.707 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.619 -0.389 -7.461 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.985 -0.520 -8.155 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.714 1.082 -7.891 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.929 0.489 -5.149 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.016 1.956 -5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.517 0.974 -4.180 1.00 0.00 H new ATOM 1356 N THR A 87 -1.204 1.354 -7.115 1.00 0.00 N ATOM 1357 CA THR A 87 -2.532 1.902 -6.854 1.00 0.00 C ATOM 1358 C THR A 87 -3.638 0.961 -7.312 1.00 0.00 C ATOM 1359 O THR A 87 -4.631 0.777 -6.608 1.00 0.00 O ATOM 1360 CB THR A 87 -2.688 3.254 -7.557 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.632 3.059 -8.963 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.563 4.196 -7.125 1.00 0.00 C ATOM 0 H THR A 87 -0.656 1.868 -7.805 1.00 0.00 H new ATOM 0 HA THR A 87 -2.625 2.029 -5.775 1.00 0.00 H new ATOM 0 HB THR A 87 -3.647 3.696 -7.285 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.733 3.921 -9.417 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.679 5.156 -7.628 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.607 4.344 -6.046 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.600 3.760 -7.393 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.475 0.364 -8.487 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.486 -0.547 -8.993 1.00 0.00 C ATOM 1372 C ASP A 88 -4.478 -1.834 -8.183 1.00 0.00 C ATOM 1373 O ASP A 88 -5.525 -2.320 -7.748 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.208 -0.861 -10.463 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.354 0.401 -11.306 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -5.088 1.285 -10.894 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.737 0.463 -12.357 1.00 0.00 O ATOM 0 H ASP A 88 -2.667 0.493 -9.095 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.465 -0.077 -8.904 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.202 -1.266 -10.572 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.900 -1.626 -10.817 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.287 -2.374 -7.968 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.150 -3.596 -7.198 1.00 0.00 C ATOM 1384 C GLN A 89 -3.539 -3.345 -5.743 1.00 0.00 C ATOM 1385 O GLN A 89 -4.226 -4.160 -5.131 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.710 -4.110 -7.291 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.712 -5.637 -7.435 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.341 -6.126 -7.899 1.00 0.00 C ATOM 1389 OE1 GLN A 89 0.467 -5.302 -8.508 1.00 0.00 O flip ATOM 1390 NE2 GLN A 89 0.000 -7.293 -7.704 1.00 0.00 N flip ATOM 0 H GLN A 89 -2.409 -1.987 -8.314 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.818 -4.354 -7.607 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.206 -3.656 -8.144 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.152 -3.820 -6.400 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -1.967 -6.099 -6.481 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.476 -5.941 -8.151 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.632 -7.936 -7.228 1.00 0.00 H new ATOM 0 HE22 GLN A 89 0.915 -7.616 -8.019 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.116 -2.204 -5.192 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.461 -1.880 -3.812 1.00 0.00 C ATOM 1401 C LEU A 90 -4.974 -1.866 -3.635 1.00 0.00 C ATOM 1402 O LEU A 90 -5.507 -2.439 -2.686 1.00 0.00 O ATOM 1403 CB LEU A 90 -2.887 -0.514 -3.429 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.280 -0.177 -1.990 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.515 -1.082 -1.024 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -2.931 1.283 -1.704 1.00 0.00 C ATOM 0 H LEU A 90 -2.547 -1.505 -5.670 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.033 -2.643 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.801 -0.524 -3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.261 0.252 -4.108 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.351 -0.332 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.796 -0.840 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.759 -2.124 -1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.444 -0.928 -1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.209 1.530 -0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.859 1.433 -1.836 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.475 1.929 -2.393 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.659 -1.209 -4.566 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.113 -1.128 -4.519 1.00 0.00 C ATOM 1420 C ALA A 91 -7.719 -2.525 -4.528 1.00 0.00 C ATOM 1421 O ALA A 91 -8.771 -2.760 -3.935 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.632 -0.330 -5.716 1.00 0.00 C ATOM 0 H ALA A 91 -5.232 -0.728 -5.358 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.405 -0.622 -3.599 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.720 -0.275 -5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.216 0.677 -5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.331 -0.823 -6.640 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.045 -3.448 -5.207 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.516 -4.822 -5.287 1.00 0.00 C ATOM 1430 C ASN A 92 -7.148 -5.594 -4.025 1.00 0.00 C ATOM 1431 O ASN A 92 -7.905 -6.446 -3.559 1.00 0.00 O ATOM 1432 CB ASN A 92 -6.889 -5.505 -6.498 1.00 0.00 C ATOM 1433 CG ASN A 92 -7.493 -4.951 -7.784 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -8.522 -4.276 -7.745 1.00 0.00 O ATOM 1435 ND2 ASN A 92 -6.914 -5.197 -8.926 1.00 0.00 N ATOM 0 H ASN A 92 -6.174 -3.268 -5.707 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.601 -4.811 -5.386 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -5.811 -5.347 -6.496 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.054 -6.581 -6.444 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.313 -4.830 -9.790 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.062 -5.756 -8.956 1.00 0.00 H new ATOM 1442 N GLN A 93 -5.969 -5.297 -3.489 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.484 -5.972 -2.294 1.00 0.00 C ATOM 1444 C GLN A 93 -6.161 -5.443 -1.032 1.00 0.00 C ATOM 1445 O GLN A 93 -6.461 -6.207 -0.115 1.00 0.00 O ATOM 1446 CB GLN A 93 -3.972 -5.772 -2.169 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.257 -6.482 -3.316 1.00 0.00 C ATOM 1448 CD GLN A 93 -3.628 -7.956 -3.315 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -3.383 -8.659 -2.337 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.214 -8.468 -4.354 1.00 0.00 N ATOM 0 H GLN A 93 -5.333 -4.593 -3.864 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.722 -7.031 -2.392 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.735 -4.708 -2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.622 -6.163 -1.213 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.534 -6.028 -4.267 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.178 -6.368 -3.211 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.417 -7.883 -5.165 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.472 -9.455 -4.359 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.383 -4.137 -0.981 1.00 0.00 N ATOM 1460 CA LEU A 94 -7.005 -3.531 0.187 1.00 0.00 C ATOM 1461 C LEU A 94 -8.316 -4.236 0.549 1.00 0.00 C ATOM 1462 O LEU A 94 -8.457 -4.742 1.662 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.246 -2.042 -0.062 1.00 0.00 C ATOM 1464 CG LEU A 94 -8.184 -1.490 1.012 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.614 -1.806 2.397 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -8.311 0.026 0.846 1.00 0.00 C ATOM 0 H LEU A 94 -6.145 -3.483 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.326 -3.644 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.299 -1.502 -0.045 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.681 -1.893 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.167 -1.951 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.282 -1.413 3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.522 -2.886 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.632 -1.345 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.979 0.421 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.329 0.487 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.715 0.251 -0.141 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.267 -4.299 -0.353 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.564 -4.978 -0.089 1.00 0.00 C ATOM 1480 C PRO A 95 -10.343 -6.347 0.544 1.00 0.00 C ATOM 1481 O PRO A 95 -11.019 -6.722 1.503 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.208 -5.136 -1.476 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.247 -4.561 -2.474 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.225 -3.732 -1.701 1.00 0.00 C ATOM 0 HA PRO A 95 -11.187 -4.411 0.603 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.406 -6.186 -1.692 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.165 -4.616 -1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -9.753 -5.356 -3.032 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.773 -3.941 -3.200 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.230 -3.813 -2.139 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.487 -2.674 -1.699 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.384 -7.083 -0.007 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.056 -8.411 0.493 1.00 0.00 C ATOM 1494 C GLN A 96 -8.541 -8.330 1.924 1.00 0.00 C ATOM 1495 O GLN A 96 -8.813 -9.206 2.746 1.00 0.00 O ATOM 1496 CB GLN A 96 -7.992 -9.046 -0.402 1.00 0.00 C ATOM 1497 CG GLN A 96 -8.557 -9.221 -1.810 1.00 0.00 C ATOM 1498 CD GLN A 96 -7.478 -9.763 -2.740 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.288 -9.649 -2.444 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -7.822 -10.347 -3.856 1.00 0.00 N ATOM 0 H GLN A 96 -8.820 -6.781 -0.801 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.958 -9.023 0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.102 -8.418 -0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.688 -10.011 0.003 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.406 -9.904 -1.788 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.925 -8.266 -2.184 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -8.808 -10.441 -4.100 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.105 -10.710 -4.484 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.795 -7.272 2.214 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.245 -7.084 3.551 1.00 0.00 C ATOM 1511 C TRP A 97 -8.371 -6.889 4.560 1.00 0.00 C ATOM 1512 O TRP A 97 -8.284 -7.336 5.701 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.329 -5.859 3.572 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.257 -6.005 2.538 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -5.013 -7.125 1.816 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.287 -5.013 2.096 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -3.951 -6.880 0.959 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.471 -5.592 1.095 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -4.040 -3.677 2.461 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.446 -4.874 0.482 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -3.008 -2.951 1.845 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.212 -3.548 0.857 1.00 0.00 C ATOM 0 H TRP A 97 -7.558 -6.536 1.548 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.671 -7.971 3.819 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.910 -4.957 3.381 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.881 -5.746 4.559 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.556 -8.055 1.895 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.571 -7.567 0.308 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.648 -3.207 3.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.836 -5.339 -0.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.826 -1.926 2.134 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.420 -2.984 0.387 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.431 -6.219 4.129 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.574 -5.974 4.993 1.00 0.00 C ATOM 1535 C LEU A 98 -11.400 -7.247 5.155 1.00 0.00 C ATOM 1536 O LEU A 98 -12.019 -7.475 6.194 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.440 -4.875 4.381 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.574 -3.651 4.084 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -11.438 -2.547 3.468 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.951 -3.143 5.386 1.00 0.00 C ATOM 0 H LEU A 98 -9.522 -5.837 3.188 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.218 -5.661 5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.908 -5.234 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.245 -4.607 5.066 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.785 -3.926 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.819 -1.675 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.884 -2.908 2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.228 -2.270 4.167 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.333 -2.270 5.177 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.741 -2.869 6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.335 -3.928 5.825 1.00 0.00 H new ATOM 1552 N VAL A 99 -11.416 -8.058 4.101 1.00 0.00 N ATOM 1553 CA VAL A 99 -12.183 -9.303 4.103 1.00 0.00 C ATOM 1554 C VAL A 99 -11.634 -10.320 5.103 1.00 0.00 C ATOM 1555 O VAL A 99 -12.388 -10.909 5.877 1.00 0.00 O ATOM 1556 CB VAL A 99 -12.164 -9.914 2.699 1.00 0.00 C ATOM 1557 CG1 VAL A 99 -12.883 -11.262 2.717 1.00 0.00 C ATOM 1558 CG2 VAL A 99 -12.876 -8.973 1.724 1.00 0.00 C ATOM 0 H VAL A 99 -10.908 -7.877 3.235 1.00 0.00 H new ATOM 0 HA VAL A 99 -13.202 -9.061 4.403 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.131 -10.057 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -12.869 -11.695 1.717 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.379 -11.934 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.916 -11.119 3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -12.863 -9.407 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -13.908 -8.830 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -12.365 -8.011 1.708 1.00 0.00 H new ATOM 1568 N GLN A 100 -10.323 -10.533 5.075 1.00 0.00 N ATOM 1569 CA GLN A 100 -9.692 -11.497 5.979 1.00 0.00 C ATOM 1570 C GLN A 100 -10.647 -12.635 6.331 1.00 0.00 C ATOM 1571 O GLN A 100 -10.657 -13.119 7.465 1.00 0.00 O ATOM 1572 CB GLN A 100 -9.222 -10.805 7.258 1.00 0.00 C ATOM 1573 CG GLN A 100 -7.903 -10.084 6.985 1.00 0.00 C ATOM 1574 CD GLN A 100 -7.484 -9.270 8.205 1.00 0.00 C ATOM 1575 OE1 GLN A 100 -8.211 -9.213 9.196 1.00 0.00 O ATOM 1576 NE2 GLN A 100 -6.348 -8.627 8.187 1.00 0.00 N ATOM 0 H GLN A 100 -9.678 -10.058 4.443 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.830 -11.918 5.461 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.975 -10.094 7.599 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.092 -11.537 8.055 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.128 -10.810 6.740 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.011 -9.428 6.121 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.747 -8.676 7.364 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -6.061 -8.076 8.996 1.00 0.00 H new ATOM 1585 N GLN A 101 -11.435 -13.067 5.354 1.00 0.00 N ATOM 1586 CA GLN A 101 -12.377 -14.161 5.570 1.00 0.00 C ATOM 1587 C GLN A 101 -12.099 -15.300 4.594 1.00 0.00 C ATOM 1588 O GLN A 101 -12.790 -16.317 4.596 1.00 0.00 O ATOM 1589 CB GLN A 101 -13.816 -13.670 5.396 1.00 0.00 C ATOM 1590 CG GLN A 101 -14.209 -12.804 6.595 1.00 0.00 C ATOM 1591 CD GLN A 101 -15.079 -13.607 7.556 1.00 0.00 C ATOM 1592 OE1 GLN A 101 -14.816 -14.785 7.795 1.00 0.00 O ATOM 1593 NE2 GLN A 101 -16.107 -13.037 8.124 1.00 0.00 N ATOM 0 H GLN A 101 -11.442 -12.680 4.410 1.00 0.00 H new ATOM 0 HA GLN A 101 -12.250 -14.527 6.589 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -13.906 -13.096 4.474 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -14.493 -14.520 5.310 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.314 -12.452 7.109 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -14.749 -11.921 6.254 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -16.323 -12.060 7.925 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -16.694 -13.568 8.767 1.00 0.00 H new ATOM 1602 N GLU A 102 -11.081 -15.117 3.758 1.00 0.00 N ATOM 1603 CA GLU A 102 -10.716 -16.131 2.774 1.00 0.00 C ATOM 1604 C GLU A 102 -10.454 -17.469 3.460 1.00 0.00 C ATOM 1605 O GLU A 102 -9.925 -17.514 4.570 1.00 0.00 O ATOM 1606 CB GLU A 102 -9.463 -15.688 2.017 1.00 0.00 C ATOM 1607 CG GLU A 102 -9.750 -14.377 1.283 1.00 0.00 C ATOM 1608 CD GLU A 102 -9.615 -13.202 2.245 1.00 0.00 C ATOM 1609 OE1 GLU A 102 -9.099 -13.406 3.331 1.00 0.00 O ATOM 1610 OE2 GLU A 102 -10.033 -12.114 1.882 1.00 0.00 O ATOM 0 H GLU A 102 -10.497 -14.281 3.742 1.00 0.00 H new ATOM 0 HA GLU A 102 -11.542 -16.251 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -8.633 -15.555 2.711 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.163 -16.458 1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.057 -14.257 0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.755 -14.399 0.861 1.00 0.00 H new ATOM 1617 N GLY A 103 -10.833 -18.560 2.795 1.00 0.00 N ATOM 1618 CA GLY A 103 -10.635 -19.890 3.363 1.00 0.00 C ATOM 1619 C GLY A 103 -10.037 -20.854 2.341 1.00 0.00 C ATOM 1620 O GLY A 103 -9.998 -22.062 2.568 1.00 0.00 O ATOM 0 H GLY A 103 -11.273 -18.549 1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.976 -19.822 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.589 -20.281 3.718 1.00 0.00 H new ATOM 1624 N ILE A 104 -9.569 -20.317 1.219 1.00 0.00 N ATOM 1625 CA ILE A 104 -8.972 -21.150 0.178 1.00 0.00 C ATOM 1626 C ILE A 104 -7.487 -20.835 0.029 1.00 0.00 C ATOM 1627 O ILE A 104 -7.100 -19.672 -0.069 1.00 0.00 O ATOM 1628 CB ILE A 104 -9.686 -20.917 -1.155 1.00 0.00 C ATOM 1629 CG1 ILE A 104 -8.983 -21.717 -2.256 1.00 0.00 C ATOM 1630 CG2 ILE A 104 -9.653 -19.427 -1.505 1.00 0.00 C ATOM 1631 CD1 ILE A 104 -9.755 -21.568 -3.569 1.00 0.00 C ATOM 0 H ILE A 104 -9.590 -19.319 1.007 1.00 0.00 H new ATOM 0 HA ILE A 104 -9.083 -22.195 0.466 1.00 0.00 H new ATOM 0 HB ILE A 104 -10.722 -21.244 -1.072 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -7.960 -21.362 -2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.923 -22.768 -1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -10.162 -19.265 -2.455 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -10.155 -18.858 -0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.618 -19.095 -1.587 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -9.254 -22.137 -4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -10.770 -21.944 -3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -9.792 -20.516 -3.852 1.00 0.00 H new ATOM 1643 N PHE A 105 -6.660 -21.880 0.018 1.00 0.00 N ATOM 1644 CA PHE A 105 -5.217 -21.700 -0.113 1.00 0.00 C ATOM 1645 C PHE A 105 -4.799 -20.326 0.404 1.00 0.00 C ATOM 1646 O PHE A 105 -4.897 -19.376 -0.355 1.00 0.00 O ATOM 1647 CB PHE A 105 -4.794 -21.849 -1.577 1.00 0.00 C ATOM 1648 CG PHE A 105 -4.785 -23.311 -1.957 1.00 0.00 C ATOM 1649 CD1 PHE A 105 -3.650 -24.091 -1.706 1.00 0.00 C ATOM 1650 CD2 PHE A 105 -5.909 -23.886 -2.562 1.00 0.00 C ATOM 1651 CE1 PHE A 105 -3.636 -25.444 -2.061 1.00 0.00 C ATOM 1652 CE2 PHE A 105 -5.896 -25.241 -2.917 1.00 0.00 C ATOM 1653 CZ PHE A 105 -4.761 -26.020 -2.665 1.00 0.00 C ATOM 1654 OXT PHE A 105 -4.388 -20.246 1.549 1.00 0.00 O ATOM 0 H PHE A 105 -6.962 -22.851 0.098 1.00 0.00 H new ATOM 0 HA PHE A 105 -4.722 -22.467 0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.480 -21.300 -2.222 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.804 -21.418 -1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.784 -23.648 -1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.786 -23.285 -2.755 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -2.759 -26.044 -1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.762 -25.685 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 105 -4.752 -27.065 -2.936 1.00 0.00 H new TER 1664 PHE A 105