USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 575 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 28 ASN : amide:sc= 0.37 K(o=0.37,f=-4.1!) USER MOD Set 1.2: A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 10 ASN :FLIP amide:sc= -1.08 F(o=-1.7!,f=-0.88) USER MOD Set 2.2: A 11 THR OG1 : rot 96:sc= 0.197 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.86 K(o=-1.9,f=-7.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.057) USER MOD Single : A 56 SER OG : rot -77:sc= -0.131 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc=-0.00994 X(o=-0.0099,f=-0.018) USER MOD Single : A 67 LYS NZ :NH3+ -125:sc= -2.79! (180deg=-6.66!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0393 K(o=-0.039,f=-0.69) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 78 TYR OH : rot 30:sc= -0.308 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 8.190 -8.618 -0.049 1.00 0.00 N ATOM 2 CA GLU A 7 8.147 -8.934 1.374 1.00 0.00 C ATOM 3 C GLU A 7 8.801 -10.284 1.652 1.00 0.00 C ATOM 4 O GLU A 7 9.486 -10.459 2.661 1.00 0.00 O ATOM 5 CB GLU A 7 6.700 -8.944 1.873 1.00 0.00 C ATOM 6 CG GLU A 7 5.844 -10.026 1.237 1.00 0.00 C ATOM 7 CD GLU A 7 4.405 -9.986 1.713 1.00 0.00 C ATOM 8 OE1 GLU A 7 3.916 -8.882 2.030 1.00 0.00 O ATOM 9 OE2 GLU A 7 3.768 -11.059 1.768 1.00 0.00 O ATOM 0 HA GLU A 7 8.703 -8.164 1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.699 -9.080 2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.249 -7.972 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.868 -9.913 0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 7 6.271 -11.003 1.465 1.00 0.00 H new ATOM 16 N LEU A 8 8.585 -11.236 0.751 1.00 0.00 N ATOM 17 CA LEU A 8 9.153 -12.572 0.898 1.00 0.00 C ATOM 18 C LEU A 8 10.631 -12.579 0.521 1.00 0.00 C ATOM 19 O LEU A 8 11.156 -11.592 0.008 1.00 0.00 O ATOM 20 CB LEU A 8 8.389 -13.571 0.028 1.00 0.00 C ATOM 21 CG LEU A 8 8.311 -13.241 -1.463 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.582 -13.680 -2.173 1.00 0.00 C ATOM 23 CD2 LEU A 8 7.092 -13.900 -2.092 1.00 0.00 C ATOM 0 H LEU A 8 8.021 -11.108 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 8 9.062 -12.866 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.855 -14.550 0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.373 -13.656 0.414 1.00 0.00 H new ATOM 0 HG LEU A 8 8.212 -12.161 -1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.509 -13.437 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.438 -13.162 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.712 -14.756 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.053 -13.654 -3.153 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.160 -14.981 -1.972 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.189 -13.537 -1.602 1.00 0.00 H new ATOM 35 N SER A 9 11.296 -13.701 0.779 1.00 0.00 N ATOM 36 CA SER A 9 12.715 -13.837 0.468 1.00 0.00 C ATOM 37 C SER A 9 12.922 -14.744 -0.741 1.00 0.00 C ATOM 38 O SER A 9 11.973 -15.329 -1.261 1.00 0.00 O ATOM 39 CB SER A 9 13.471 -14.396 1.675 1.00 0.00 C ATOM 40 OG SER A 9 13.911 -13.354 2.529 1.00 0.00 O ATOM 0 H SER A 9 10.876 -14.528 1.202 1.00 0.00 H new ATOM 0 HA SER A 9 13.106 -12.848 0.229 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.825 -15.076 2.230 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.328 -14.977 1.334 1.00 0.00 H new ATOM 0 HG SER A 9 14.390 -13.738 3.293 1.00 0.00 H new ATOM 46 N ASN A 10 14.170 -14.856 -1.182 1.00 0.00 N ATOM 47 CA ASN A 10 14.503 -15.691 -2.331 1.00 0.00 C ATOM 48 C ASN A 10 14.787 -17.125 -1.896 1.00 0.00 C ATOM 49 O ASN A 10 14.438 -18.078 -2.594 1.00 0.00 O ATOM 50 CB ASN A 10 15.717 -15.120 -3.067 1.00 0.00 C ATOM 51 CG ASN A 10 17.028 -15.639 -2.510 1.00 0.00 C ATOM 52 OD1 ASN A 10 17.641 -16.581 -3.217 1.00 0.00 O flip ATOM 53 ND2 ASN A 10 17.485 -15.197 -1.455 1.00 0.00 N flip ATOM 0 H ASN A 10 14.968 -14.379 -0.762 1.00 0.00 H new ATOM 0 HA ASN A 10 13.647 -15.697 -3.005 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.649 -15.374 -4.125 1.00 0.00 H new ATOM 0 HB3 ASN A 10 15.701 -14.032 -2.998 1.00 0.00 H new ATOM 0 HD21 ASN A 10 16.980 -14.473 -0.944 1.00 0.00 H new ATOM 0 HD22 ASN A 10 18.368 -15.555 -1.092 1.00 0.00 H new ATOM 60 N THR A 11 15.421 -17.273 -0.737 1.00 0.00 N ATOM 61 CA THR A 11 15.752 -18.590 -0.209 1.00 0.00 C ATOM 62 C THR A 11 15.635 -18.619 1.311 1.00 0.00 C ATOM 63 O THR A 11 16.601 -18.343 2.023 1.00 0.00 O ATOM 64 CB THR A 11 17.177 -19.015 -0.610 1.00 0.00 C ATOM 65 OG1 THR A 11 18.080 -17.916 -0.448 1.00 0.00 O ATOM 66 CG2 THR A 11 17.211 -19.498 -2.053 1.00 0.00 C ATOM 0 H THR A 11 15.716 -16.496 -0.146 1.00 0.00 H new ATOM 0 HA THR A 11 15.037 -19.291 -0.640 1.00 0.00 H new ATOM 0 HB THR A 11 17.484 -19.835 0.039 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.519 -17.979 0.426 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.227 -19.793 -2.314 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.545 -20.353 -2.166 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.885 -18.694 -2.713 1.00 0.00 H new ATOM 74 N ARG A 12 14.446 -18.954 1.802 1.00 0.00 N ATOM 75 CA ARG A 12 14.203 -19.018 3.238 1.00 0.00 C ATOM 76 C ARG A 12 12.755 -19.401 3.528 1.00 0.00 C ATOM 77 O ARG A 12 11.825 -18.687 3.152 1.00 0.00 O ATOM 78 CB ARG A 12 14.526 -17.673 3.892 1.00 0.00 C ATOM 79 CG ARG A 12 15.320 -17.798 5.182 1.00 0.00 C ATOM 80 CD ARG A 12 15.458 -16.456 5.883 1.00 0.00 C ATOM 81 NE ARG A 12 15.796 -16.608 7.296 1.00 0.00 N ATOM 82 CZ ARG A 12 15.889 -15.590 8.144 1.00 0.00 C ATOM 83 NH1 ARG A 12 15.669 -14.352 7.724 1.00 0.00 N ATOM 84 NH2 ARG A 12 16.202 -15.810 9.415 1.00 0.00 N ATOM 0 H ARG A 12 13.636 -19.185 1.226 1.00 0.00 H new ATOM 0 HA ARG A 12 14.855 -19.785 3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.089 -17.062 3.187 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.594 -17.146 4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.827 -18.508 5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.310 -18.199 4.964 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.229 -15.866 5.387 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.524 -15.902 5.791 1.00 0.00 H new ATOM 0 HE ARG A 12 15.970 -17.548 7.651 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.428 -14.180 6.748 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.741 -13.572 8.377 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.371 -16.761 9.741 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.273 -15.028 10.065 1.00 0.00 H new ATOM 98 N LEU A 13 12.572 -20.533 4.199 1.00 0.00 N ATOM 99 CA LEU A 13 11.237 -21.013 4.539 1.00 0.00 C ATOM 100 C LEU A 13 11.093 -21.200 6.046 1.00 0.00 C ATOM 101 O LEU A 13 11.878 -21.914 6.671 1.00 0.00 O ATOM 102 CB LEU A 13 10.948 -22.332 3.820 1.00 0.00 C ATOM 103 CG LEU A 13 11.792 -22.617 2.577 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.433 -23.973 1.988 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.606 -21.517 1.542 1.00 0.00 C ATOM 0 H LEU A 13 13.331 -21.135 4.518 1.00 0.00 H new ATOM 0 HA LEU A 13 10.515 -20.264 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.093 -23.148 4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.897 -22.343 3.531 1.00 0.00 H new ATOM 0 HG LEU A 13 12.842 -22.638 2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.043 -24.159 1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.619 -24.752 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.379 -23.981 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.214 -21.737 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.557 -21.464 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.914 -20.562 1.967 1.00 0.00 H new ATOM 117 N PHE A 14 10.084 -20.557 6.624 1.00 0.00 N ATOM 118 CA PHE A 14 9.837 -20.653 8.057 1.00 0.00 C ATOM 119 C PHE A 14 8.831 -21.759 8.363 1.00 0.00 C ATOM 120 O PHE A 14 7.714 -21.759 7.844 1.00 0.00 O ATOM 121 CB PHE A 14 9.322 -19.317 8.598 1.00 0.00 C ATOM 122 CG PHE A 14 8.453 -19.458 9.815 1.00 0.00 C ATOM 123 CD1 PHE A 14 9.017 -19.606 11.072 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.072 -19.442 9.703 1.00 0.00 C ATOM 125 CE1 PHE A 14 8.220 -19.737 12.194 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.270 -19.572 10.820 1.00 0.00 C ATOM 127 CZ PHE A 14 6.844 -19.719 12.068 1.00 0.00 C ATOM 0 H PHE A 14 9.424 -19.964 6.121 1.00 0.00 H new ATOM 0 HA PHE A 14 10.780 -20.897 8.547 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.173 -18.680 8.841 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.758 -18.810 7.815 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.092 -19.619 11.176 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.617 -19.326 8.730 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.672 -19.853 13.168 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.195 -19.559 10.718 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.219 -19.820 12.943 1.00 0.00 H new ATOM 137 N VAL A 15 9.236 -22.703 9.207 1.00 0.00 N ATOM 138 CA VAL A 15 8.372 -23.815 9.583 1.00 0.00 C ATOM 139 C VAL A 15 7.799 -23.618 10.982 1.00 0.00 C ATOM 140 O VAL A 15 8.270 -22.773 11.743 1.00 0.00 O ATOM 141 CB VAL A 15 9.129 -25.155 9.534 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.156 -26.314 9.377 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.150 -25.149 8.406 1.00 0.00 C ATOM 0 H VAL A 15 10.158 -22.719 9.643 1.00 0.00 H new ATOM 0 HA VAL A 15 7.556 -23.840 8.860 1.00 0.00 H new ATOM 0 HB VAL A 15 9.662 -25.285 10.476 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.710 -27.252 9.344 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.468 -26.328 10.222 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.592 -26.193 8.452 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.676 -26.104 8.386 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.640 -24.995 7.455 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.866 -24.344 8.568 1.00 0.00 H new ATOM 153 N ARG A 16 6.780 -24.404 11.314 1.00 0.00 N ATOM 154 CA ARG A 16 6.141 -24.315 12.621 1.00 0.00 C ATOM 155 C ARG A 16 6.998 -24.986 13.691 1.00 0.00 C ATOM 156 O ARG A 16 7.976 -25.674 13.397 1.00 0.00 O ATOM 157 CB ARG A 16 4.756 -24.964 12.582 1.00 0.00 C ATOM 158 CG ARG A 16 3.615 -23.961 12.532 1.00 0.00 C ATOM 159 CD ARG A 16 2.267 -24.642 12.705 1.00 0.00 C ATOM 160 NE ARG A 16 1.931 -24.842 14.112 1.00 0.00 N ATOM 161 CZ ARG A 16 0.841 -25.479 14.524 1.00 0.00 C ATOM 162 NH1 ARG A 16 -0.014 -25.976 13.641 1.00 0.00 N ATOM 163 NH2 ARG A 16 0.604 -25.620 15.822 1.00 0.00 N ATOM 0 H ARG A 16 6.379 -25.109 10.696 1.00 0.00 H new ATOM 0 HA ARG A 16 6.033 -23.260 12.873 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.694 -25.616 11.711 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.635 -25.596 13.462 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.750 -23.215 13.315 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.637 -23.431 11.580 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.493 -24.040 12.230 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.279 -25.605 12.195 1.00 0.00 H new ATOM 0 HE ARG A 16 2.569 -24.472 14.817 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.165 -25.870 12.642 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.850 -26.465 13.960 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.259 -25.239 16.504 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.234 -26.109 16.137 1.00 0.00 H new ATOM 177 N PRO A 17 6.625 -24.781 14.963 1.00 0.00 N ATOM 178 CA PRO A 17 7.346 -25.357 16.102 1.00 0.00 C ATOM 179 C PRO A 17 7.174 -26.869 16.193 1.00 0.00 C ATOM 180 O PRO A 17 6.053 -27.373 16.269 1.00 0.00 O ATOM 181 CB PRO A 17 6.704 -24.672 17.311 1.00 0.00 C ATOM 182 CG PRO A 17 5.339 -24.291 16.851 1.00 0.00 C ATOM 183 CD PRO A 17 5.471 -23.971 15.387 1.00 0.00 C ATOM 0 HA PRO A 17 8.422 -25.198 16.026 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.660 -25.343 18.169 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.276 -23.797 17.620 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.632 -25.105 17.011 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.966 -23.431 17.407 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.569 -24.236 14.835 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.644 -22.908 15.222 1.00 0.00 H new ATOM 191 N PHE A 18 8.291 -27.589 16.184 1.00 0.00 N ATOM 192 CA PHE A 18 8.263 -29.045 16.265 1.00 0.00 C ATOM 193 C PHE A 18 8.414 -29.512 17.709 1.00 0.00 C ATOM 194 O PHE A 18 8.930 -28.798 18.569 1.00 0.00 O ATOM 195 CB PHE A 18 9.375 -29.646 15.403 1.00 0.00 C ATOM 196 CG PHE A 18 9.208 -29.377 13.935 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.596 -28.163 13.391 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.663 -30.338 13.099 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.443 -27.913 12.040 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.508 -30.094 11.747 1.00 0.00 C ATOM 201 CZ PHE A 18 8.899 -28.880 11.217 1.00 0.00 C ATOM 0 H PHE A 18 9.227 -27.188 16.121 1.00 0.00 H new ATOM 0 HA PHE A 18 7.298 -29.387 15.891 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.334 -29.245 15.731 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.407 -30.723 15.565 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.023 -27.404 14.030 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.356 -31.289 13.508 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.749 -26.962 11.628 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.082 -30.852 11.106 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.780 -28.687 10.161 1.00 0.00 H new ATOM 211 N PRO A 19 7.952 -30.742 17.984 1.00 0.00 N ATOM 212 CA PRO A 19 8.024 -31.333 19.323 1.00 0.00 C ATOM 213 C PRO A 19 9.454 -31.672 19.731 1.00 0.00 C ATOM 214 O PRO A 19 10.413 -31.161 19.152 1.00 0.00 O ATOM 215 CB PRO A 19 7.188 -32.609 19.193 1.00 0.00 C ATOM 216 CG PRO A 19 7.252 -32.957 17.746 1.00 0.00 C ATOM 217 CD PRO A 19 7.325 -31.649 17.008 1.00 0.00 C ATOM 0 HA PRO A 19 7.664 -30.648 20.091 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.591 -33.411 19.811 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.160 -32.444 19.515 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.124 -33.575 17.532 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.374 -33.528 17.443 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.919 -31.733 16.098 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.336 -31.299 16.711 1.00 0.00 H new ATOM 225 N LEU A 20 9.589 -32.537 20.730 1.00 0.00 N ATOM 226 CA LEU A 20 10.903 -32.945 21.216 1.00 0.00 C ATOM 227 C LEU A 20 11.771 -33.459 20.071 1.00 0.00 C ATOM 228 O LEU A 20 12.996 -33.508 20.182 1.00 0.00 O ATOM 229 CB LEU A 20 10.759 -34.028 22.287 1.00 0.00 C ATOM 230 CG LEU A 20 9.950 -35.263 21.889 1.00 0.00 C ATOM 231 CD1 LEU A 20 10.857 -36.324 21.287 1.00 0.00 C ATOM 232 CD2 LEU A 20 9.200 -35.819 23.090 1.00 0.00 C ATOM 0 H LEU A 20 8.805 -32.969 21.219 1.00 0.00 H new ATOM 0 HA LEU A 20 11.389 -32.073 21.653 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.757 -34.352 22.584 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.294 -33.582 23.166 1.00 0.00 H new ATOM 0 HG LEU A 20 9.220 -34.968 21.135 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.264 -37.195 21.010 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.348 -35.923 20.401 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.611 -36.616 22.018 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.630 -36.697 22.788 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.912 -36.098 23.866 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.520 -35.060 23.477 1.00 0.00 H new ATOM 244 N ASP A 21 11.128 -33.838 18.972 1.00 0.00 N ATOM 245 CA ASP A 21 11.842 -34.345 17.806 1.00 0.00 C ATOM 246 C ASP A 21 12.233 -33.204 16.871 1.00 0.00 C ATOM 247 O ASP A 21 12.441 -33.411 15.675 1.00 0.00 O ATOM 248 CB ASP A 21 10.979 -35.362 17.056 1.00 0.00 C ATOM 249 CG ASP A 21 11.808 -36.330 16.236 1.00 0.00 C ATOM 250 OD1 ASP A 21 12.582 -37.106 16.836 1.00 0.00 O ATOM 251 OD2 ASP A 21 11.683 -36.313 14.993 1.00 0.00 O ATOM 0 H ASP A 21 10.114 -33.804 18.864 1.00 0.00 H new ATOM 0 HA ASP A 21 12.751 -34.836 18.152 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.376 -35.920 17.772 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.287 -34.834 16.400 1.00 0.00 H new ATOM 256 N VAL A 22 12.332 -32.000 17.424 1.00 0.00 N ATOM 257 CA VAL A 22 12.698 -30.826 16.641 1.00 0.00 C ATOM 258 C VAL A 22 14.198 -30.794 16.368 1.00 0.00 C ATOM 259 O VAL A 22 14.967 -30.231 17.146 1.00 0.00 O ATOM 260 CB VAL A 22 12.289 -29.524 17.355 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.829 -29.503 18.777 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.775 -28.313 16.573 1.00 0.00 C ATOM 0 H VAL A 22 12.164 -31.812 18.412 1.00 0.00 H new ATOM 0 HA VAL A 22 12.160 -30.896 15.695 1.00 0.00 H new ATOM 0 HB VAL A 22 11.201 -29.483 17.405 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.530 -28.576 19.266 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.427 -30.351 19.331 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.917 -29.567 18.754 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.477 -27.402 17.092 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.861 -28.345 16.490 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.335 -28.323 15.576 1.00 0.00 H new ATOM 272 N GLN A 23 14.606 -31.401 15.259 1.00 0.00 N ATOM 273 CA GLN A 23 16.014 -31.442 14.884 1.00 0.00 C ATOM 274 C GLN A 23 16.177 -31.378 13.369 1.00 0.00 C ATOM 275 O GLN A 23 15.204 -31.509 12.626 1.00 0.00 O ATOM 276 CB GLN A 23 16.671 -32.713 15.426 1.00 0.00 C ATOM 277 CG GLN A 23 15.785 -33.944 15.332 1.00 0.00 C ATOM 278 CD GLN A 23 15.657 -34.674 16.654 1.00 0.00 C ATOM 279 OE1 GLN A 23 14.783 -34.366 17.465 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.531 -35.649 16.880 1.00 0.00 N ATOM 0 H GLN A 23 13.981 -31.871 14.604 1.00 0.00 H new ATOM 0 HA GLN A 23 16.505 -30.572 15.321 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.594 -32.897 14.876 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.947 -32.553 16.468 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.794 -33.648 14.987 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.193 -34.624 14.584 1.00 0.00 H new ATOM 0 HE21 GLN A 23 17.239 -35.871 16.180 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.494 -36.175 17.753 1.00 0.00 H new ATOM 289 N GLU A 24 17.411 -31.177 12.919 1.00 0.00 N ATOM 290 CA GLU A 24 17.699 -31.095 11.492 1.00 0.00 C ATOM 291 C GLU A 24 17.459 -32.439 10.810 1.00 0.00 C ATOM 292 O GLU A 24 17.209 -32.500 9.606 1.00 0.00 O ATOM 293 CB GLU A 24 19.145 -30.647 11.266 1.00 0.00 C ATOM 294 CG GLU A 24 20.175 -31.599 11.850 1.00 0.00 C ATOM 295 CD GLU A 24 21.546 -31.429 11.226 1.00 0.00 C ATOM 296 OE1 GLU A 24 21.811 -30.346 10.663 1.00 0.00 O ATOM 297 OE2 GLU A 24 22.354 -32.379 11.300 1.00 0.00 O ATOM 0 H GLU A 24 18.227 -31.068 13.521 1.00 0.00 H new ATOM 0 HA GLU A 24 17.025 -30.359 11.053 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.322 -30.546 10.195 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.284 -29.660 11.707 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.247 -31.436 12.925 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.839 -32.626 11.705 1.00 0.00 H new ATOM 304 N SER A 25 17.536 -33.513 11.589 1.00 0.00 N ATOM 305 CA SER A 25 17.332 -34.857 11.060 1.00 0.00 C ATOM 306 C SER A 25 16.019 -34.942 10.287 1.00 0.00 C ATOM 307 O SER A 25 15.992 -35.380 9.137 1.00 0.00 O ATOM 308 CB SER A 25 17.335 -35.881 12.197 1.00 0.00 C ATOM 309 OG SER A 25 17.570 -37.188 11.705 1.00 0.00 O ATOM 0 H SER A 25 17.738 -33.479 12.588 1.00 0.00 H new ATOM 0 HA SER A 25 18.151 -35.081 10.377 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.103 -35.619 12.924 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.379 -35.852 12.719 1.00 0.00 H new ATOM 0 HG SER A 25 17.569 -37.823 12.451 1.00 0.00 H new ATOM 315 N GLU A 26 14.934 -34.521 10.928 1.00 0.00 N ATOM 316 CA GLU A 26 13.617 -34.551 10.301 1.00 0.00 C ATOM 317 C GLU A 26 13.532 -33.535 9.166 1.00 0.00 C ATOM 318 O GLU A 26 12.942 -33.804 8.119 1.00 0.00 O ATOM 319 CB GLU A 26 12.528 -34.267 11.337 1.00 0.00 C ATOM 320 CG GLU A 26 12.834 -33.078 12.233 1.00 0.00 C ATOM 321 CD GLU A 26 11.614 -32.586 12.986 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.908 -33.423 13.586 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.365 -31.362 12.975 1.00 0.00 O ATOM 0 H GLU A 26 14.940 -34.155 11.880 1.00 0.00 H new ATOM 0 HA GLU A 26 13.463 -35.547 9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.585 -34.089 10.820 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.389 -35.152 11.957 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.609 -33.356 12.947 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.235 -32.265 11.627 1.00 0.00 H new ATOM 330 N LEU A 27 14.125 -32.365 9.381 1.00 0.00 N ATOM 331 CA LEU A 27 14.117 -31.307 8.377 1.00 0.00 C ATOM 332 C LEU A 27 14.769 -31.780 7.082 1.00 0.00 C ATOM 333 O LEU A 27 14.303 -31.461 5.989 1.00 0.00 O ATOM 334 CB LEU A 27 14.845 -30.070 8.906 1.00 0.00 C ATOM 335 CG LEU A 27 14.277 -29.452 10.184 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.567 -27.960 10.230 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.780 -29.710 10.282 1.00 0.00 C ATOM 0 H LEU A 27 14.617 -32.126 10.242 1.00 0.00 H new ATOM 0 HA LEU A 27 13.079 -31.048 8.166 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.887 -30.336 9.087 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.841 -29.309 8.125 1.00 0.00 H new ATOM 0 HG LEU A 27 14.763 -29.922 11.039 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.155 -27.537 11.147 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.645 -27.798 10.208 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.109 -27.474 9.369 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.393 -29.263 11.198 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.277 -29.268 9.422 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.596 -30.784 10.297 1.00 0.00 H new ATOM 349 N ASN A 28 15.848 -32.544 7.214 1.00 0.00 N ATOM 350 CA ASN A 28 16.563 -33.063 6.053 1.00 0.00 C ATOM 351 C ASN A 28 15.794 -34.212 5.409 1.00 0.00 C ATOM 352 O ASN A 28 15.717 -34.311 4.185 1.00 0.00 O ATOM 353 CB ASN A 28 17.962 -33.534 6.459 1.00 0.00 C ATOM 354 CG ASN A 28 18.998 -32.433 6.343 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.707 -32.335 5.341 1.00 0.00 O ATOM 356 ND2 ASN A 28 19.092 -31.599 7.372 1.00 0.00 N ATOM 0 H ASN A 28 16.247 -32.818 8.112 1.00 0.00 H new ATOM 0 HA ASN A 28 16.655 -32.258 5.324 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.936 -33.898 7.486 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.256 -34.374 5.830 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.772 -30.839 7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.484 -31.718 8.182 1.00 0.00 H new ATOM 363 N GLU A 29 15.227 -35.078 6.243 1.00 0.00 N ATOM 364 CA GLU A 29 14.464 -36.221 5.755 1.00 0.00 C ATOM 365 C GLU A 29 13.136 -35.771 5.152 1.00 0.00 C ATOM 366 O GLU A 29 12.504 -36.509 4.395 1.00 0.00 O ATOM 367 CB GLU A 29 14.211 -37.216 6.889 1.00 0.00 C ATOM 368 CG GLU A 29 15.481 -37.825 7.459 1.00 0.00 C ATOM 369 CD GLU A 29 15.891 -39.097 6.742 1.00 0.00 C ATOM 370 OE1 GLU A 29 15.371 -40.174 7.102 1.00 0.00 O ATOM 371 OE2 GLU A 29 16.730 -39.016 5.821 1.00 0.00 O ATOM 0 H GLU A 29 15.282 -35.010 7.259 1.00 0.00 H new ATOM 0 HA GLU A 29 15.050 -36.710 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.669 -36.712 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.567 -38.016 6.523 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.290 -37.098 7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.333 -38.040 8.517 1.00 0.00 H new ATOM 378 N ILE A 30 12.719 -34.557 5.495 1.00 0.00 N ATOM 379 CA ILE A 30 11.468 -34.008 4.988 1.00 0.00 C ATOM 380 C ILE A 30 11.715 -33.066 3.815 1.00 0.00 C ATOM 381 O ILE A 30 11.178 -33.260 2.724 1.00 0.00 O ATOM 382 CB ILE A 30 10.699 -33.251 6.087 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.254 -34.217 7.187 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.500 -32.528 5.492 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.893 -33.529 8.485 1.00 0.00 C ATOM 0 H ILE A 30 13.229 -33.935 6.122 1.00 0.00 H new ATOM 0 HA ILE A 30 10.867 -34.853 4.651 1.00 0.00 H new ATOM 0 HB ILE A 30 11.363 -32.509 6.529 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.393 -34.785 6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.053 -34.934 7.375 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.967 -31.998 6.281 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.841 -31.815 4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.832 -33.253 5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.587 -34.274 9.219 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.759 -32.984 8.861 1.00 0.00 H new ATOM 0 HD13 ILE A 30 9.073 -32.832 8.312 1.00 0.00 H new ATOM 397 N PHE A 31 12.534 -32.045 4.046 1.00 0.00 N ATOM 398 CA PHE A 31 12.854 -31.072 3.008 1.00 0.00 C ATOM 399 C PHE A 31 13.939 -31.607 2.077 1.00 0.00 C ATOM 400 O PHE A 31 14.339 -30.939 1.125 1.00 0.00 O ATOM 401 CB PHE A 31 13.311 -29.754 3.638 1.00 0.00 C ATOM 402 CG PHE A 31 12.218 -29.030 4.370 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.669 -29.563 5.525 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.741 -27.815 3.905 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.662 -28.899 6.201 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.736 -27.146 4.577 1.00 0.00 C ATOM 407 CZ PHE A 31 10.196 -27.688 5.727 1.00 0.00 C ATOM 0 H PHE A 31 12.988 -31.870 4.943 1.00 0.00 H new ATOM 0 HA PHE A 31 11.953 -30.893 2.422 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.129 -29.955 4.329 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.706 -29.105 2.857 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.032 -30.508 5.902 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.160 -27.386 3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.240 -29.327 7.099 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.373 -26.200 4.203 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.411 -27.166 6.254 1.00 0.00 H new ATOM 417 N GLY A 32 14.412 -32.816 2.362 1.00 0.00 N ATOM 418 CA GLY A 32 15.446 -33.421 1.543 1.00 0.00 C ATOM 419 C GLY A 32 15.061 -33.487 0.078 1.00 0.00 C ATOM 420 O GLY A 32 15.717 -32.903 -0.785 1.00 0.00 O ATOM 0 H GLY A 32 14.097 -33.388 3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.369 -32.850 1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.651 -34.428 1.907 1.00 0.00 H new ATOM 424 N PRO A 33 13.973 -34.214 -0.220 1.00 0.00 N ATOM 425 CA PRO A 33 13.478 -34.372 -1.590 1.00 0.00 C ATOM 426 C PRO A 33 12.888 -33.081 -2.146 1.00 0.00 C ATOM 427 O PRO A 33 11.710 -33.027 -2.501 1.00 0.00 O ATOM 428 CB PRO A 33 12.392 -35.441 -1.454 1.00 0.00 C ATOM 429 CG PRO A 33 11.934 -35.338 -0.040 1.00 0.00 C ATOM 430 CD PRO A 33 13.143 -34.936 0.759 1.00 0.00 C ATOM 0 HA PRO A 33 14.276 -34.641 -2.283 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.572 -35.263 -2.150 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.785 -36.434 -1.672 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.138 -34.600 0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.533 -36.289 0.311 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.874 -34.302 1.604 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.663 -35.804 1.165 1.00 0.00 H new ATOM 438 N PHE A 34 13.713 -32.042 -2.220 1.00 0.00 N ATOM 439 CA PHE A 34 13.272 -30.750 -2.733 1.00 0.00 C ATOM 440 C PHE A 34 14.420 -30.017 -3.420 1.00 0.00 C ATOM 441 O PHE A 34 14.241 -29.409 -4.474 1.00 0.00 O ATOM 442 CB PHE A 34 12.711 -29.891 -1.597 1.00 0.00 C ATOM 443 CG PHE A 34 11.290 -30.223 -1.241 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.359 -30.494 -2.230 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.886 -30.266 0.084 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.051 -30.799 -1.904 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.580 -30.570 0.416 1.00 0.00 C ATOM 448 CZ PHE A 34 8.661 -30.839 -0.580 1.00 0.00 C ATOM 0 H PHE A 34 14.691 -32.069 -1.931 1.00 0.00 H new ATOM 0 HA PHE A 34 12.486 -30.928 -3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.337 -30.016 -0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.770 -28.841 -1.883 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.658 -30.467 -3.267 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.601 -30.059 0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.334 -31.006 -2.685 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.278 -30.597 1.452 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.640 -31.080 -0.324 1.00 0.00 H new ATOM 458 N GLY A 35 15.602 -30.079 -2.813 1.00 0.00 N ATOM 459 CA GLY A 35 16.762 -29.417 -3.380 1.00 0.00 C ATOM 460 C GLY A 35 17.907 -29.306 -2.392 1.00 0.00 C ATOM 461 O GLY A 35 17.792 -29.696 -1.230 1.00 0.00 O ATOM 0 H GLY A 35 15.776 -30.576 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.097 -29.967 -4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.479 -28.420 -3.717 1.00 0.00 H new ATOM 465 N PRO A 36 19.043 -28.764 -2.855 1.00 0.00 N ATOM 466 CA PRO A 36 20.236 -28.593 -2.020 1.00 0.00 C ATOM 467 C PRO A 36 20.045 -27.522 -0.951 1.00 0.00 C ATOM 468 O PRO A 36 20.305 -26.342 -1.188 1.00 0.00 O ATOM 469 CB PRO A 36 21.311 -28.163 -3.021 1.00 0.00 C ATOM 470 CG PRO A 36 20.556 -27.535 -4.142 1.00 0.00 C ATOM 471 CD PRO A 36 19.251 -28.277 -4.229 1.00 0.00 C ATOM 0 HA PRO A 36 20.484 -29.502 -1.472 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.011 -27.459 -2.572 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.895 -29.016 -3.366 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.390 -26.474 -3.955 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.111 -27.611 -5.077 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.439 -27.625 -4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.303 -29.099 -4.943 1.00 0.00 H new ATOM 479 N MET A 37 19.591 -27.941 0.225 1.00 0.00 N ATOM 480 CA MET A 37 19.368 -27.017 1.331 1.00 0.00 C ATOM 481 C MET A 37 20.664 -26.313 1.722 1.00 0.00 C ATOM 482 O MET A 37 21.573 -26.928 2.279 1.00 0.00 O ATOM 483 CB MET A 37 18.795 -27.761 2.538 1.00 0.00 C ATOM 484 CG MET A 37 19.481 -29.089 2.816 1.00 0.00 C ATOM 485 SD MET A 37 19.987 -29.263 4.538 1.00 0.00 S ATOM 486 CE MET A 37 21.601 -30.015 4.342 1.00 0.00 C ATOM 0 H MET A 37 19.370 -28.914 0.437 1.00 0.00 H new ATOM 0 HA MET A 37 18.651 -26.264 1.003 1.00 0.00 H new ATOM 0 HB2 MET A 37 18.880 -27.126 3.420 1.00 0.00 H new ATOM 0 HB3 MET A 37 17.732 -27.938 2.374 1.00 0.00 H new ATOM 0 HG2 MET A 37 18.805 -29.904 2.556 1.00 0.00 H new ATOM 0 HG3 MET A 37 20.356 -29.183 2.173 1.00 0.00 H new ATOM 0 HE1 MET A 37 22.044 -30.186 5.323 1.00 0.00 H new ATOM 0 HE2 MET A 37 21.498 -30.966 3.820 1.00 0.00 H new ATOM 0 HE3 MET A 37 22.244 -29.351 3.764 1.00 0.00 H new ATOM 496 N LYS A 38 20.742 -25.020 1.425 1.00 0.00 N ATOM 497 CA LYS A 38 21.926 -24.232 1.745 1.00 0.00 C ATOM 498 C LYS A 38 22.201 -24.248 3.245 1.00 0.00 C ATOM 499 O LYS A 38 23.355 -24.283 3.673 1.00 0.00 O ATOM 500 CB LYS A 38 21.750 -22.790 1.264 1.00 0.00 C ATOM 501 CG LYS A 38 22.863 -21.859 1.711 1.00 0.00 C ATOM 502 CD LYS A 38 24.194 -22.240 1.084 1.00 0.00 C ATOM 503 CE LYS A 38 24.255 -21.840 -0.382 1.00 0.00 C ATOM 504 NZ LYS A 38 24.858 -20.490 -0.564 1.00 0.00 N ATOM 0 H LYS A 38 19.999 -24.496 0.963 1.00 0.00 H new ATOM 0 HA LYS A 38 22.778 -24.678 1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 38 21.697 -22.783 0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 38 20.798 -22.407 1.632 1.00 0.00 H new ATOM 0 HG2 LYS A 38 22.612 -20.834 1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 38 22.950 -21.889 2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.005 -21.756 1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.346 -23.316 1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 38 24.838 -22.576 -0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 38 23.250 -21.848 -0.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 24.882 -20.254 -1.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.287 -19.784 -0.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 25.827 -20.489 -0.185 1.00 0.00 H new ATOM 518 N GLU A 39 21.135 -24.224 4.038 1.00 0.00 N ATOM 519 CA GLU A 39 21.263 -24.236 5.491 1.00 0.00 C ATOM 520 C GLU A 39 19.928 -24.567 6.152 1.00 0.00 C ATOM 521 O GLU A 39 18.880 -24.540 5.508 1.00 0.00 O ATOM 522 CB GLU A 39 21.771 -22.883 5.992 1.00 0.00 C ATOM 523 CG GLU A 39 22.975 -22.988 6.912 1.00 0.00 C ATOM 524 CD GLU A 39 23.889 -21.781 6.817 1.00 0.00 C ATOM 525 OE1 GLU A 39 24.733 -21.748 5.897 1.00 0.00 O ATOM 526 OE2 GLU A 39 23.761 -20.871 7.662 1.00 0.00 O ATOM 0 H GLU A 39 20.173 -24.196 3.699 1.00 0.00 H new ATOM 0 HA GLU A 39 21.984 -25.008 5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 39 22.032 -22.262 5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 39 20.964 -22.374 6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.633 -23.100 7.941 1.00 0.00 H new ATOM 0 HG3 GLU A 39 23.540 -23.887 6.664 1.00 0.00 H new ATOM 533 N VAL A 40 19.976 -24.882 7.443 1.00 0.00 N ATOM 534 CA VAL A 40 18.771 -25.218 8.193 1.00 0.00 C ATOM 535 C VAL A 40 18.876 -24.749 9.639 1.00 0.00 C ATOM 536 O VAL A 40 19.963 -24.719 10.217 1.00 0.00 O ATOM 537 CB VAL A 40 18.504 -26.735 8.174 1.00 0.00 C ATOM 538 CG1 VAL A 40 17.832 -27.143 6.872 1.00 0.00 C ATOM 539 CG2 VAL A 40 19.799 -27.506 8.380 1.00 0.00 C ATOM 0 H VAL A 40 20.836 -24.911 7.991 1.00 0.00 H new ATOM 0 HA VAL A 40 17.941 -24.704 7.707 1.00 0.00 H new ATOM 0 HB VAL A 40 17.829 -26.978 8.995 1.00 0.00 H new ATOM 0 HG11 VAL A 40 17.651 -28.218 6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 40 16.883 -26.616 6.772 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.479 -26.888 6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 40 19.592 -28.576 8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.500 -27.260 7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 40 20.235 -27.235 9.342 1.00 0.00 H new ATOM 549 N LYS A 41 17.738 -24.383 10.220 1.00 0.00 N ATOM 550 CA LYS A 41 17.700 -23.916 11.601 1.00 0.00 C ATOM 551 C LYS A 41 16.507 -24.510 12.343 1.00 0.00 C ATOM 552 O LYS A 41 15.384 -24.506 11.837 1.00 0.00 O ATOM 553 CB LYS A 41 17.630 -22.388 11.643 1.00 0.00 C ATOM 554 CG LYS A 41 18.578 -21.709 10.670 1.00 0.00 C ATOM 555 CD LYS A 41 17.928 -21.500 9.312 1.00 0.00 C ATOM 556 CE LYS A 41 17.568 -20.040 9.086 1.00 0.00 C ATOM 557 NZ LYS A 41 18.740 -19.243 8.630 1.00 0.00 N ATOM 0 H LYS A 41 16.830 -24.401 9.756 1.00 0.00 H new ATOM 0 HA LYS A 41 18.614 -24.245 12.095 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.610 -22.073 11.423 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.857 -22.050 12.654 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.891 -20.747 11.077 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.477 -22.314 10.555 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.607 -21.834 8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.030 -22.113 9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.773 -19.973 8.344 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.178 -19.615 10.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.453 -18.254 8.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.490 -19.286 9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.097 -19.632 7.734 1.00 0.00 H new ATOM 571 N ILE A 42 16.757 -25.019 13.545 1.00 0.00 N ATOM 572 CA ILE A 42 15.703 -25.614 14.357 1.00 0.00 C ATOM 573 C ILE A 42 15.767 -25.113 15.795 1.00 0.00 C ATOM 574 O ILE A 42 16.683 -25.456 16.544 1.00 0.00 O ATOM 575 CB ILE A 42 15.792 -27.152 14.356 1.00 0.00 C ATOM 576 CG1 ILE A 42 17.201 -27.602 13.965 1.00 0.00 C ATOM 577 CG2 ILE A 42 14.759 -27.742 13.408 1.00 0.00 C ATOM 578 CD1 ILE A 42 17.422 -27.664 12.470 1.00 0.00 C ATOM 0 H ILE A 42 17.681 -25.031 13.978 1.00 0.00 H new ATOM 0 HA ILE A 42 14.754 -25.313 13.912 1.00 0.00 H new ATOM 0 HB ILE A 42 15.581 -27.514 15.362 1.00 0.00 H new ATOM 0 HG12 ILE A 42 17.927 -26.917 14.403 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.391 -28.586 14.393 1.00 0.00 H new ATOM 0 HG21 ILE A 42 14.835 -28.829 13.419 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.760 -27.445 13.727 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.941 -27.375 12.398 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.442 -27.990 12.266 1.00 0.00 H new ATOM 0 HD12 ILE A 42 16.720 -28.370 12.027 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.264 -26.676 12.038 1.00 0.00 H new ATOM 590 N LEU A 43 14.788 -24.300 16.177 1.00 0.00 N ATOM 591 CA LEU A 43 14.732 -23.751 17.527 1.00 0.00 C ATOM 592 C LEU A 43 13.403 -24.087 18.196 1.00 0.00 C ATOM 593 O LEU A 43 12.363 -24.139 17.541 1.00 0.00 O ATOM 594 CB LEU A 43 14.929 -22.235 17.492 1.00 0.00 C ATOM 595 CG LEU A 43 16.116 -21.732 16.670 1.00 0.00 C ATOM 596 CD1 LEU A 43 15.894 -20.290 16.240 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.408 -21.860 17.464 1.00 0.00 C ATOM 0 H LEU A 43 14.022 -24.007 15.571 1.00 0.00 H new ATOM 0 HA LEU A 43 15.536 -24.202 18.109 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.021 -21.780 17.098 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.045 -21.880 18.516 1.00 0.00 H new ATOM 0 HG LEU A 43 16.201 -22.348 15.775 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.749 -19.949 15.656 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.991 -20.226 15.633 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.783 -19.660 17.123 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.242 -21.497 16.863 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.334 -21.269 18.377 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.575 -22.906 17.722 1.00 0.00 H new ATOM 609 N ASN A 44 13.445 -24.312 19.506 1.00 0.00 N ATOM 610 CA ASN A 44 12.244 -24.641 20.264 1.00 0.00 C ATOM 611 C ASN A 44 11.223 -23.511 20.183 1.00 0.00 C ATOM 612 O ASN A 44 11.264 -22.565 20.968 1.00 0.00 O ATOM 613 CB ASN A 44 12.598 -24.919 21.726 1.00 0.00 C ATOM 614 CG ASN A 44 13.693 -25.959 21.868 1.00 0.00 C ATOM 615 OD1 ASN A 44 14.769 -25.677 22.395 1.00 0.00 O ATOM 616 ND2 ASN A 44 13.422 -27.171 21.396 1.00 0.00 N ATOM 0 H ASN A 44 14.298 -24.272 20.064 1.00 0.00 H new ATOM 0 HA ASN A 44 11.804 -25.537 19.827 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.917 -23.992 22.202 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.707 -25.259 22.254 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.120 -27.912 21.463 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.516 -27.360 20.967 1.00 0.00 H new ATOM 623 N GLY A 45 10.305 -23.617 19.226 1.00 0.00 N ATOM 624 CA GLY A 45 9.285 -22.597 19.060 1.00 0.00 C ATOM 625 C GLY A 45 9.091 -22.202 17.610 1.00 0.00 C ATOM 626 O GLY A 45 8.038 -21.687 17.235 1.00 0.00 O ATOM 0 H GLY A 45 10.250 -24.390 18.563 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.341 -22.963 19.463 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.559 -21.716 19.640 1.00 0.00 H new ATOM 630 N PHE A 46 10.111 -22.442 16.791 1.00 0.00 N ATOM 631 CA PHE A 46 10.049 -22.105 15.374 1.00 0.00 C ATOM 632 C PHE A 46 11.201 -22.751 14.611 1.00 0.00 C ATOM 633 O PHE A 46 12.264 -23.012 15.174 1.00 0.00 O ATOM 634 CB PHE A 46 10.086 -20.587 15.187 1.00 0.00 C ATOM 635 CG PHE A 46 10.740 -19.858 16.326 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.061 -20.109 16.659 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.033 -18.923 17.064 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.666 -19.440 17.706 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.633 -18.251 18.112 1.00 0.00 C ATOM 640 CZ PHE A 46 11.950 -18.510 18.435 1.00 0.00 C ATOM 0 H PHE A 46 10.990 -22.868 17.085 1.00 0.00 H new ATOM 0 HA PHE A 46 9.111 -22.490 14.975 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.619 -20.356 14.265 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.067 -20.219 15.068 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.625 -20.836 16.094 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.002 -18.717 16.818 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.697 -19.644 17.954 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.071 -17.523 18.679 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.419 -17.987 19.255 1.00 0.00 H new ATOM 650 N ALA A 47 10.982 -23.008 13.325 1.00 0.00 N ATOM 651 CA ALA A 47 12.001 -23.622 12.484 1.00 0.00 C ATOM 652 C ALA A 47 12.218 -22.816 11.208 1.00 0.00 C ATOM 653 O ALA A 47 11.340 -22.068 10.777 1.00 0.00 O ATOM 654 CB ALA A 47 11.614 -25.055 12.146 1.00 0.00 C ATOM 0 H ALA A 47 10.107 -22.800 12.843 1.00 0.00 H new ATOM 0 HA ALA A 47 12.938 -23.632 13.040 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.384 -25.501 11.517 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.517 -25.632 13.066 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.663 -25.059 11.613 1.00 0.00 H new ATOM 660 N PHE A 48 13.394 -22.972 10.608 1.00 0.00 N ATOM 661 CA PHE A 48 13.727 -22.257 9.382 1.00 0.00 C ATOM 662 C PHE A 48 14.594 -23.119 8.468 1.00 0.00 C ATOM 663 O PHE A 48 15.384 -23.939 8.935 1.00 0.00 O ATOM 664 CB PHE A 48 14.454 -20.951 9.710 1.00 0.00 C ATOM 665 CG PHE A 48 13.776 -20.139 10.776 1.00 0.00 C ATOM 666 CD1 PHE A 48 13.973 -20.430 12.117 1.00 0.00 C ATOM 667 CD2 PHE A 48 12.943 -19.085 10.438 1.00 0.00 C ATOM 668 CE1 PHE A 48 13.350 -19.685 13.100 1.00 0.00 C ATOM 669 CE2 PHE A 48 12.317 -18.336 11.418 1.00 0.00 C ATOM 670 CZ PHE A 48 12.522 -18.636 12.750 1.00 0.00 C ATOM 0 H PHE A 48 14.132 -23.587 10.951 1.00 0.00 H new ATOM 0 HA PHE A 48 12.798 -22.027 8.861 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.470 -21.181 10.031 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.534 -20.351 8.803 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.620 -21.248 12.396 1.00 0.00 H new ATOM 0 HD2 PHE A 48 12.781 -18.845 9.398 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.510 -19.923 14.141 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.669 -17.518 11.142 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.036 -18.052 13.517 1.00 0.00 H new ATOM 680 N VAL A 49 14.439 -22.926 7.162 1.00 0.00 N ATOM 681 CA VAL A 49 15.207 -23.685 6.181 1.00 0.00 C ATOM 682 C VAL A 49 15.522 -22.836 4.955 1.00 0.00 C ATOM 683 O VAL A 49 14.618 -22.344 4.280 1.00 0.00 O ATOM 684 CB VAL A 49 14.452 -24.951 5.736 1.00 0.00 C ATOM 685 CG1 VAL A 49 13.085 -24.590 5.175 1.00 0.00 C ATOM 686 CG2 VAL A 49 15.270 -25.726 4.713 1.00 0.00 C ATOM 0 H VAL A 49 13.789 -22.251 6.759 1.00 0.00 H new ATOM 0 HA VAL A 49 16.139 -23.978 6.665 1.00 0.00 H new ATOM 0 HB VAL A 49 14.302 -25.589 6.607 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.567 -25.498 4.866 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.500 -24.081 5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 49 13.207 -23.931 4.315 1.00 0.00 H new ATOM 0 HG21 VAL A 49 14.722 -26.618 4.409 1.00 0.00 H new ATOM 0 HG22 VAL A 49 15.452 -25.097 3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 49 16.222 -26.019 5.155 1.00 0.00 H new ATOM 696 N GLU A 50 16.810 -22.670 4.671 1.00 0.00 N ATOM 697 CA GLU A 50 17.244 -21.881 3.525 1.00 0.00 C ATOM 698 C GLU A 50 17.803 -22.779 2.426 1.00 0.00 C ATOM 699 O GLU A 50 18.859 -23.392 2.587 1.00 0.00 O ATOM 700 CB GLU A 50 18.300 -20.860 3.951 1.00 0.00 C ATOM 701 CG GLU A 50 18.943 -20.126 2.786 1.00 0.00 C ATOM 702 CD GLU A 50 19.503 -18.774 3.186 1.00 0.00 C ATOM 703 OE1 GLU A 50 19.917 -18.625 4.354 1.00 0.00 O ATOM 704 OE2 GLU A 50 19.528 -17.866 2.328 1.00 0.00 O ATOM 0 H GLU A 50 17.571 -23.072 5.219 1.00 0.00 H new ATOM 0 HA GLU A 50 16.376 -21.352 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.840 -20.132 4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.077 -21.370 4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.744 -20.739 2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.205 -19.990 1.995 1.00 0.00 H new ATOM 711 N PHE A 51 17.088 -22.852 1.308 1.00 0.00 N ATOM 712 CA PHE A 51 17.511 -23.677 0.182 1.00 0.00 C ATOM 713 C PHE A 51 18.533 -22.939 -0.678 1.00 0.00 C ATOM 714 O PHE A 51 18.534 -21.710 -0.741 1.00 0.00 O ATOM 715 CB PHE A 51 16.303 -24.074 -0.669 1.00 0.00 C ATOM 716 CG PHE A 51 15.635 -25.338 -0.208 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.278 -26.560 -0.326 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.364 -25.304 0.344 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.665 -27.724 0.096 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.747 -26.465 0.768 1.00 0.00 C ATOM 721 CZ PHE A 51 14.398 -27.677 0.645 1.00 0.00 C ATOM 0 H PHE A 51 16.213 -22.350 1.158 1.00 0.00 H new ATOM 0 HA PHE A 51 17.979 -24.578 0.579 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.576 -23.262 -0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.622 -24.198 -1.704 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.269 -26.603 -0.753 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.850 -24.359 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.176 -28.670 -0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.756 -26.425 1.195 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.918 -28.586 0.977 1.00 0.00 H new ATOM 731 N GLU A 52 19.401 -23.699 -1.339 1.00 0.00 N ATOM 732 CA GLU A 52 20.428 -23.117 -2.194 1.00 0.00 C ATOM 733 C GLU A 52 19.844 -22.701 -3.541 1.00 0.00 C ATOM 734 O GLU A 52 20.554 -22.189 -4.405 1.00 0.00 O ATOM 735 CB GLU A 52 21.570 -24.114 -2.407 1.00 0.00 C ATOM 736 CG GLU A 52 22.799 -23.501 -3.057 1.00 0.00 C ATOM 737 CD GLU A 52 24.071 -24.260 -2.730 1.00 0.00 C ATOM 738 OE1 GLU A 52 23.978 -25.327 -2.089 1.00 0.00 O ATOM 739 OE2 GLU A 52 25.160 -23.785 -3.116 1.00 0.00 O ATOM 0 H GLU A 52 19.413 -24.718 -1.299 1.00 0.00 H new ATOM 0 HA GLU A 52 20.818 -22.229 -1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.853 -24.541 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.213 -24.936 -3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.661 -23.479 -4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.902 -22.467 -2.728 1.00 0.00 H new ATOM 746 N GLU A 53 18.545 -22.927 -3.710 1.00 0.00 N ATOM 747 CA GLU A 53 17.866 -22.576 -4.952 1.00 0.00 C ATOM 748 C GLU A 53 16.472 -22.021 -4.672 1.00 0.00 C ATOM 749 O GLU A 53 15.657 -22.665 -4.013 1.00 0.00 O ATOM 750 CB GLU A 53 17.765 -23.799 -5.867 1.00 0.00 C ATOM 751 CG GLU A 53 19.015 -24.043 -6.695 1.00 0.00 C ATOM 752 CD GLU A 53 18.726 -24.793 -7.981 1.00 0.00 C ATOM 753 OE1 GLU A 53 17.855 -24.337 -8.752 1.00 0.00 O ATOM 754 OE2 GLU A 53 19.370 -25.837 -8.216 1.00 0.00 O ATOM 0 H GLU A 53 17.943 -23.351 -3.004 1.00 0.00 H new ATOM 0 HA GLU A 53 18.452 -21.804 -5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.564 -24.681 -5.260 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.914 -23.672 -6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.481 -23.087 -6.933 1.00 0.00 H new ATOM 0 HG3 GLU A 53 19.734 -24.609 -6.103 1.00 0.00 H new ATOM 761 N ALA A 54 16.207 -20.821 -5.178 1.00 0.00 N ATOM 762 CA ALA A 54 14.912 -20.179 -4.984 1.00 0.00 C ATOM 763 C ALA A 54 13.772 -21.115 -5.370 1.00 0.00 C ATOM 764 O ALA A 54 12.760 -21.194 -4.676 1.00 0.00 O ATOM 765 CB ALA A 54 14.836 -18.890 -5.789 1.00 0.00 C ATOM 0 H ALA A 54 16.871 -20.274 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 54 14.808 -19.940 -3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.864 -18.421 -5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.623 -18.210 -5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 54 14.967 -19.114 -6.848 1.00 0.00 H new ATOM 771 N GLU A 55 13.944 -21.822 -6.483 1.00 0.00 N ATOM 772 CA GLU A 55 12.928 -22.751 -6.962 1.00 0.00 C ATOM 773 C GLU A 55 12.619 -23.810 -5.908 1.00 0.00 C ATOM 774 O GLU A 55 11.461 -24.025 -5.549 1.00 0.00 O ATOM 775 CB GLU A 55 13.389 -23.423 -8.257 1.00 0.00 C ATOM 776 CG GLU A 55 12.249 -23.985 -9.090 1.00 0.00 C ATOM 777 CD GLU A 55 12.716 -24.529 -10.427 1.00 0.00 C ATOM 778 OE1 GLU A 55 13.416 -25.564 -10.434 1.00 0.00 O ATOM 779 OE2 GLU A 55 12.383 -23.920 -11.464 1.00 0.00 O ATOM 0 H GLU A 55 14.777 -21.769 -7.069 1.00 0.00 H new ATOM 0 HA GLU A 55 12.018 -22.184 -7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.942 -22.699 -8.855 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.081 -24.229 -8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.753 -24.779 -8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.508 -23.204 -9.259 1.00 0.00 H new ATOM 786 N SER A 56 13.663 -24.470 -5.417 1.00 0.00 N ATOM 787 CA SER A 56 13.505 -25.510 -4.408 1.00 0.00 C ATOM 788 C SER A 56 12.741 -24.981 -3.198 1.00 0.00 C ATOM 789 O SER A 56 11.904 -25.678 -2.625 1.00 0.00 O ATOM 790 CB SER A 56 14.872 -26.039 -3.971 1.00 0.00 C ATOM 791 OG SER A 56 15.501 -26.756 -5.020 1.00 0.00 O ATOM 0 H SER A 56 14.628 -24.303 -5.702 1.00 0.00 H new ATOM 0 HA SER A 56 12.932 -26.326 -4.849 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.506 -25.207 -3.664 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.754 -26.687 -3.103 1.00 0.00 H new ATOM 0 HG SER A 56 15.098 -27.646 -5.095 1.00 0.00 H new ATOM 797 N ALA A 57 13.037 -23.743 -2.814 1.00 0.00 N ATOM 798 CA ALA A 57 12.378 -23.119 -1.674 1.00 0.00 C ATOM 799 C ALA A 57 10.915 -22.816 -1.984 1.00 0.00 C ATOM 800 O ALA A 57 10.020 -23.198 -1.231 1.00 0.00 O ATOM 801 CB ALA A 57 13.109 -21.846 -1.274 1.00 0.00 C ATOM 0 H ALA A 57 13.729 -23.153 -3.276 1.00 0.00 H new ATOM 0 HA ALA A 57 12.408 -23.820 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.606 -21.390 -0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.137 -22.087 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.109 -21.148 -2.111 1.00 0.00 H new ATOM 807 N ALA A 58 10.681 -22.126 -3.095 1.00 0.00 N ATOM 808 CA ALA A 58 9.327 -21.773 -3.504 1.00 0.00 C ATOM 809 C ALA A 58 8.436 -23.008 -3.575 1.00 0.00 C ATOM 810 O ALA A 58 7.238 -22.939 -3.299 1.00 0.00 O ATOM 811 CB ALA A 58 9.351 -21.058 -4.847 1.00 0.00 C ATOM 0 H ALA A 58 11.411 -21.800 -3.728 1.00 0.00 H new ATOM 0 HA ALA A 58 8.911 -21.100 -2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.333 -20.800 -5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.946 -20.149 -4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.791 -21.712 -5.600 1.00 0.00 H new ATOM 817 N LYS A 59 9.027 -24.138 -3.949 1.00 0.00 N ATOM 818 CA LYS A 59 8.287 -25.390 -4.056 1.00 0.00 C ATOM 819 C LYS A 59 8.014 -25.980 -2.677 1.00 0.00 C ATOM 820 O LYS A 59 6.869 -26.272 -2.333 1.00 0.00 O ATOM 821 CB LYS A 59 9.066 -26.395 -4.908 1.00 0.00 C ATOM 822 CG LYS A 59 8.750 -26.309 -6.391 1.00 0.00 C ATOM 823 CD LYS A 59 7.386 -26.900 -6.705 1.00 0.00 C ATOM 824 CE LYS A 59 7.195 -27.099 -8.201 1.00 0.00 C ATOM 825 NZ LYS A 59 5.893 -27.750 -8.512 1.00 0.00 N ATOM 0 H LYS A 59 10.017 -24.212 -4.183 1.00 0.00 H new ATOM 0 HA LYS A 59 7.332 -25.179 -4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.134 -26.231 -4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.847 -27.403 -4.556 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.779 -25.267 -6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.516 -26.837 -6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.276 -27.856 -6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.606 -26.242 -6.322 1.00 0.00 H new ATOM 0 HE2 LYS A 59 7.248 -26.134 -8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.009 -27.709 -8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.801 -27.868 -9.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 5.852 -28.682 -8.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.115 -27.156 -8.161 1.00 0.00 H new ATOM 839 N ALA A 60 9.072 -26.152 -1.892 1.00 0.00 N ATOM 840 CA ALA A 60 8.945 -26.705 -0.549 1.00 0.00 C ATOM 841 C ALA A 60 7.906 -25.939 0.264 1.00 0.00 C ATOM 842 O ALA A 60 7.224 -26.513 1.114 1.00 0.00 O ATOM 843 CB ALA A 60 10.291 -26.685 0.160 1.00 0.00 C ATOM 0 H ALA A 60 10.027 -25.916 -2.163 1.00 0.00 H new ATOM 0 HA ALA A 60 8.609 -27.738 -0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.181 -27.101 1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.008 -27.282 -0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.650 -25.658 0.231 1.00 0.00 H new ATOM 849 N ILE A 61 7.791 -24.643 -0.003 1.00 0.00 N ATOM 850 CA ILE A 61 6.835 -23.800 0.704 1.00 0.00 C ATOM 851 C ILE A 61 5.401 -24.206 0.381 1.00 0.00 C ATOM 852 O ILE A 61 4.525 -24.166 1.244 1.00 0.00 O ATOM 853 CB ILE A 61 7.027 -22.313 0.352 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.392 -21.823 0.840 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.911 -21.476 0.958 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.947 -20.673 0.030 1.00 0.00 C ATOM 0 H ILE A 61 8.348 -24.154 -0.704 1.00 0.00 H new ATOM 0 HA ILE A 61 7.019 -23.939 1.769 1.00 0.00 H new ATOM 0 HB ILE A 61 6.988 -22.204 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.307 -21.515 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.099 -22.652 0.810 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.061 -20.428 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.951 -21.812 0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.920 -21.588 2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.916 -20.378 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.065 -20.983 -1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.261 -19.828 0.081 1.00 0.00 H new ATOM 868 N GLU A 62 5.169 -24.597 -0.869 1.00 0.00 N ATOM 869 CA GLU A 62 3.841 -25.011 -1.305 1.00 0.00 C ATOM 870 C GLU A 62 3.666 -26.520 -1.157 1.00 0.00 C ATOM 871 O GLU A 62 2.559 -27.042 -1.289 1.00 0.00 O ATOM 872 CB GLU A 62 3.607 -24.599 -2.760 1.00 0.00 C ATOM 873 CG GLU A 62 2.940 -23.242 -2.908 1.00 0.00 C ATOM 874 CD GLU A 62 1.446 -23.295 -2.654 1.00 0.00 C ATOM 875 OE1 GLU A 62 1.049 -23.541 -1.496 1.00 0.00 O ATOM 876 OE2 GLU A 62 0.674 -23.090 -3.614 1.00 0.00 O ATOM 0 H GLU A 62 5.883 -24.635 -1.596 1.00 0.00 H new ATOM 0 HA GLU A 62 3.106 -24.514 -0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.563 -24.583 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.989 -25.353 -3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.398 -22.539 -2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.121 -22.860 -3.913 1.00 0.00 H new ATOM 883 N GLU A 63 4.766 -27.214 -0.884 1.00 0.00 N ATOM 884 CA GLU A 63 4.734 -28.662 -0.721 1.00 0.00 C ATOM 885 C GLU A 63 4.600 -29.041 0.752 1.00 0.00 C ATOM 886 O GLU A 63 3.622 -29.670 1.156 1.00 0.00 O ATOM 887 CB GLU A 63 6.000 -29.292 -1.307 1.00 0.00 C ATOM 888 CG GLU A 63 6.171 -29.042 -2.795 1.00 0.00 C ATOM 889 CD GLU A 63 5.641 -30.181 -3.644 1.00 0.00 C ATOM 890 OE1 GLU A 63 4.428 -30.186 -3.941 1.00 0.00 O ATOM 891 OE2 GLU A 63 6.440 -31.069 -4.010 1.00 0.00 O ATOM 0 H GLU A 63 5.690 -26.797 -0.771 1.00 0.00 H new ATOM 0 HA GLU A 63 3.865 -29.043 -1.258 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.869 -28.899 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.977 -30.367 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.655 -28.121 -3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.228 -28.891 -3.015 1.00 0.00 H new ATOM 898 N VAL A 64 5.590 -28.653 1.549 1.00 0.00 N ATOM 899 CA VAL A 64 5.583 -28.950 2.977 1.00 0.00 C ATOM 900 C VAL A 64 4.346 -28.369 3.653 1.00 0.00 C ATOM 901 O VAL A 64 3.733 -29.011 4.506 1.00 0.00 O ATOM 902 CB VAL A 64 6.842 -28.397 3.671 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.939 -28.919 5.096 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.089 -28.755 2.877 1.00 0.00 C ATOM 0 H VAL A 64 6.407 -28.132 1.231 1.00 0.00 H new ATOM 0 HA VAL A 64 5.571 -30.036 3.075 1.00 0.00 H new ATOM 0 HB VAL A 64 6.765 -27.310 3.712 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.835 -28.518 5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.059 -28.606 5.659 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.993 -30.008 5.082 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.969 -28.356 3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.174 -29.839 2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.019 -28.326 1.877 1.00 0.00 H new ATOM 914 N HIS A 65 3.985 -27.150 3.266 1.00 0.00 N ATOM 915 CA HIS A 65 2.819 -26.482 3.834 1.00 0.00 C ATOM 916 C HIS A 65 1.565 -27.332 3.655 1.00 0.00 C ATOM 917 O HIS A 65 1.178 -27.657 2.534 1.00 0.00 O ATOM 918 CB HIS A 65 2.620 -25.114 3.181 1.00 0.00 C ATOM 919 CG HIS A 65 1.355 -24.430 3.597 1.00 0.00 C ATOM 920 ND1 HIS A 65 0.390 -24.020 2.701 1.00 0.00 N ATOM 921 CD2 HIS A 65 0.896 -24.085 4.824 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.605 -23.452 3.357 1.00 0.00 C ATOM 923 NE2 HIS A 65 -0.323 -23.479 4.647 1.00 0.00 N ATOM 0 H HIS A 65 4.482 -26.605 2.562 1.00 0.00 H new ATOM 0 HA HIS A 65 2.994 -26.345 4.901 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.467 -24.475 3.430 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.619 -25.234 2.098 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.396 -24.255 5.766 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.498 -23.036 2.914 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -0.915 -23.110 5.391 1.00 0.00 H new ATOM 931 N GLY A 66 0.934 -27.689 4.770 1.00 0.00 N ATOM 932 CA GLY A 66 -0.269 -28.499 4.714 1.00 0.00 C ATOM 933 C GLY A 66 0.014 -29.974 4.918 1.00 0.00 C ATOM 934 O GLY A 66 -0.876 -30.811 4.771 1.00 0.00 O ATOM 0 H GLY A 66 1.234 -27.432 5.710 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.969 -28.158 5.477 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.755 -28.356 3.749 1.00 0.00 H new ATOM 938 N LYS A 67 1.259 -30.294 5.257 1.00 0.00 N ATOM 939 CA LYS A 67 1.659 -31.678 5.482 1.00 0.00 C ATOM 940 C LYS A 67 1.334 -32.113 6.907 1.00 0.00 C ATOM 941 O LYS A 67 0.734 -31.361 7.674 1.00 0.00 O ATOM 942 CB LYS A 67 3.156 -31.847 5.214 1.00 0.00 C ATOM 943 CG LYS A 67 3.501 -31.958 3.739 1.00 0.00 C ATOM 944 CD LYS A 67 4.569 -33.011 3.493 1.00 0.00 C ATOM 945 CE LYS A 67 5.934 -32.543 3.973 1.00 0.00 C ATOM 946 NZ LYS A 67 6.798 -33.683 4.386 1.00 0.00 N ATOM 0 H LYS A 67 2.008 -29.613 5.382 1.00 0.00 H new ATOM 0 HA LYS A 67 1.099 -32.309 4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.691 -30.999 5.641 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.510 -32.740 5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.604 -32.209 3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.850 -30.993 3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.298 -33.933 4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.616 -33.242 2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.426 -31.984 3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.809 -31.859 4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.129 -33.532 5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.252 -34.567 4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.617 -33.747 3.748 1.00 0.00 H new ATOM 960 N SER A 68 1.736 -33.332 7.255 1.00 0.00 N ATOM 961 CA SER A 68 1.486 -33.868 8.587 1.00 0.00 C ATOM 962 C SER A 68 2.788 -34.308 9.249 1.00 0.00 C ATOM 963 O SER A 68 3.713 -34.770 8.580 1.00 0.00 O ATOM 964 CB SER A 68 0.515 -35.048 8.511 1.00 0.00 C ATOM 965 OG SER A 68 -0.830 -34.602 8.502 1.00 0.00 O ATOM 0 H SER A 68 2.236 -33.966 6.632 1.00 0.00 H new ATOM 0 HA SER A 68 1.040 -33.078 9.192 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.715 -35.630 7.611 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.676 -35.711 9.361 1.00 0.00 H new ATOM 0 HG SER A 68 -1.431 -35.375 8.451 1.00 0.00 H new ATOM 971 N PHE A 69 2.853 -34.161 10.568 1.00 0.00 N ATOM 972 CA PHE A 69 4.042 -34.542 11.322 1.00 0.00 C ATOM 973 C PHE A 69 3.784 -34.457 12.824 1.00 0.00 C ATOM 974 O PHE A 69 3.245 -33.467 13.317 1.00 0.00 O ATOM 975 CB PHE A 69 5.221 -33.643 10.945 1.00 0.00 C ATOM 976 CG PHE A 69 6.551 -34.178 11.395 1.00 0.00 C ATOM 977 CD1 PHE A 69 7.011 -33.934 12.679 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.339 -34.924 10.534 1.00 0.00 C ATOM 979 CE1 PHE A 69 8.235 -34.424 13.095 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.563 -35.417 10.945 1.00 0.00 C ATOM 981 CZ PHE A 69 9.011 -35.168 12.227 1.00 0.00 C ATOM 0 H PHE A 69 2.097 -33.781 11.137 1.00 0.00 H new ATOM 0 HA PHE A 69 4.286 -35.574 11.070 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.238 -33.514 9.863 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.069 -32.656 11.381 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.407 -33.355 13.362 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.993 -35.123 9.530 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.584 -34.225 14.097 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.169 -35.997 10.264 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.966 -35.554 12.551 1.00 0.00 H new ATOM 991 N ALA A 70 4.171 -35.504 13.545 1.00 0.00 N ATOM 992 CA ALA A 70 3.984 -35.549 14.989 1.00 0.00 C ATOM 993 C ALA A 70 2.505 -35.471 15.354 1.00 0.00 C ATOM 994 O ALA A 70 2.132 -34.843 16.343 1.00 0.00 O ATOM 995 CB ALA A 70 4.754 -34.419 15.657 1.00 0.00 C ATOM 0 H ALA A 70 4.616 -36.333 13.152 1.00 0.00 H new ATOM 0 HA ALA A 70 4.371 -36.502 15.351 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.605 -34.465 16.736 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.816 -34.520 15.433 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.393 -33.461 15.282 1.00 0.00 H new ATOM 1001 N ASN A 71 1.667 -36.114 14.546 1.00 0.00 N ATOM 1002 CA ASN A 71 0.228 -36.116 14.783 1.00 0.00 C ATOM 1003 C ASN A 71 -0.326 -34.694 14.779 1.00 0.00 C ATOM 1004 O ASN A 71 -1.274 -34.386 15.500 1.00 0.00 O ATOM 1005 CB ASN A 71 -0.089 -36.795 16.117 1.00 0.00 C ATOM 1006 CG ASN A 71 -0.136 -38.306 16.000 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -0.686 -38.849 15.042 1.00 0.00 O ATOM 1008 ND2 ASN A 71 0.443 -38.993 16.978 1.00 0.00 N ATOM 0 H ASN A 71 1.960 -36.640 13.722 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.247 -36.674 13.977 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.664 -36.514 16.853 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.048 -36.432 16.488 1.00 0.00 H new ATOM 0 HD21 ASN A 71 0.443 -40.013 16.954 1.00 0.00 H new ATOM 0 HD22 ASN A 71 0.887 -38.501 17.753 1.00 0.00 H new ATOM 1015 N GLN A 72 0.272 -33.834 13.962 1.00 0.00 N ATOM 1016 CA GLN A 72 -0.162 -32.446 13.864 1.00 0.00 C ATOM 1017 C GLN A 72 0.116 -31.885 12.473 1.00 0.00 C ATOM 1018 O GLN A 72 1.081 -32.260 11.807 1.00 0.00 O ATOM 1019 CB GLN A 72 0.544 -31.593 14.920 1.00 0.00 C ATOM 1020 CG GLN A 72 0.220 -32.002 16.348 1.00 0.00 C ATOM 1021 CD GLN A 72 0.752 -31.019 17.372 1.00 0.00 C ATOM 1022 OE1 GLN A 72 1.883 -30.544 17.264 1.00 0.00 O ATOM 1023 NE2 GLN A 72 -0.062 -30.709 18.374 1.00 0.00 N ATOM 0 H GLN A 72 1.058 -34.074 13.358 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.237 -32.415 14.040 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.621 -31.659 14.767 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.265 -30.549 14.778 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.861 -32.089 16.461 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.641 -32.988 16.544 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.991 -31.127 18.424 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.242 -30.053 19.094 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.750 -30.966 12.021 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.619 -30.334 10.705 1.00 0.00 C ATOM 1034 C PRO A 73 0.574 -29.388 10.633 1.00 0.00 C ATOM 1035 O PRO A 73 0.692 -28.459 11.433 1.00 0.00 O ATOM 1036 CB PRO A 73 -1.929 -29.556 10.553 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.376 -29.290 11.949 1.00 0.00 C ATOM 1038 CD PRO A 73 -1.924 -30.473 12.761 1.00 0.00 C ATOM 0 HA PRO A 73 -0.449 -31.067 9.916 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.776 -28.628 10.003 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.671 -30.134 10.003 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.940 -28.366 12.329 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.459 -29.175 11.997 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.665 -30.186 13.780 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.702 -31.233 12.832 1.00 0.00 H new ATOM 1046 N LEU A 74 1.456 -29.628 9.669 1.00 0.00 N ATOM 1047 CA LEU A 74 2.641 -28.796 9.492 1.00 0.00 C ATOM 1048 C LEU A 74 2.298 -27.512 8.743 1.00 0.00 C ATOM 1049 O LEU A 74 1.253 -27.418 8.101 1.00 0.00 O ATOM 1050 CB LEU A 74 3.722 -29.569 8.734 1.00 0.00 C ATOM 1051 CG LEU A 74 4.521 -30.583 9.553 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.580 -31.251 8.690 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.160 -29.910 10.759 1.00 0.00 C ATOM 0 H LEU A 74 1.373 -30.392 8.998 1.00 0.00 H new ATOM 0 HA LEU A 74 3.018 -28.529 10.479 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.250 -30.094 7.903 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.419 -28.851 8.302 1.00 0.00 H new ATOM 0 HG LEU A 74 3.836 -31.352 9.911 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.138 -31.969 9.290 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.099 -31.768 7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.262 -30.495 8.301 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.725 -30.647 11.330 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.831 -29.120 10.422 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.382 -29.480 11.390 1.00 0.00 H new ATOM 1065 N GLU A 75 3.187 -26.527 8.829 1.00 0.00 N ATOM 1066 CA GLU A 75 2.978 -25.250 8.157 1.00 0.00 C ATOM 1067 C GLU A 75 4.311 -24.595 7.807 1.00 0.00 C ATOM 1068 O GLU A 75 5.182 -24.438 8.663 1.00 0.00 O ATOM 1069 CB GLU A 75 2.152 -24.313 9.042 1.00 0.00 C ATOM 1070 CG GLU A 75 2.024 -22.905 8.484 1.00 0.00 C ATOM 1071 CD GLU A 75 0.876 -22.134 9.106 1.00 0.00 C ATOM 1072 OE1 GLU A 75 0.969 -21.800 10.306 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -0.113 -21.864 8.394 1.00 0.00 O ATOM 0 H GLU A 75 4.058 -26.589 9.357 1.00 0.00 H new ATOM 0 HA GLU A 75 2.433 -25.439 7.232 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.156 -24.735 9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.609 -24.263 10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.955 -22.364 8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.879 -22.957 7.405 1.00 0.00 H new ATOM 1080 N VAL A 76 4.462 -24.213 6.543 1.00 0.00 N ATOM 1081 CA VAL A 76 5.688 -23.575 6.079 1.00 0.00 C ATOM 1082 C VAL A 76 5.380 -22.393 5.165 1.00 0.00 C ATOM 1083 O VAL A 76 4.471 -22.456 4.336 1.00 0.00 O ATOM 1084 CB VAL A 76 6.589 -24.571 5.325 1.00 0.00 C ATOM 1085 CG1 VAL A 76 7.989 -24.001 5.155 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.633 -25.905 6.054 1.00 0.00 C ATOM 0 H VAL A 76 3.751 -24.334 5.822 1.00 0.00 H new ATOM 0 HA VAL A 76 6.214 -23.219 6.965 1.00 0.00 H new ATOM 0 HB VAL A 76 6.168 -24.738 4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.611 -24.718 4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.937 -23.072 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.423 -23.804 6.135 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.274 -26.597 5.508 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.030 -25.758 7.058 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.626 -26.317 6.119 1.00 0.00 H new ATOM 1096 N VAL A 77 6.143 -21.317 5.322 1.00 0.00 N ATOM 1097 CA VAL A 77 5.953 -20.120 4.510 1.00 0.00 C ATOM 1098 C VAL A 77 7.287 -19.457 4.188 1.00 0.00 C ATOM 1099 O VAL A 77 8.328 -19.841 4.722 1.00 0.00 O ATOM 1100 CB VAL A 77 5.042 -19.100 5.218 1.00 0.00 C ATOM 1101 CG1 VAL A 77 3.719 -19.742 5.604 1.00 0.00 C ATOM 1102 CG2 VAL A 77 5.740 -18.522 6.440 1.00 0.00 C ATOM 0 H VAL A 77 6.899 -21.249 6.004 1.00 0.00 H new ATOM 0 HA VAL A 77 5.476 -20.439 3.583 1.00 0.00 H new ATOM 0 HB VAL A 77 4.833 -18.284 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.089 -19.006 6.103 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.215 -20.103 4.708 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.903 -20.578 6.278 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.082 -17.803 6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.980 -19.326 7.136 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.659 -18.023 6.132 1.00 0.00 H new ATOM 1112 N TYR A 78 7.250 -18.459 3.312 1.00 0.00 N ATOM 1113 CA TYR A 78 8.457 -17.743 2.917 1.00 0.00 C ATOM 1114 C TYR A 78 8.983 -16.888 4.066 1.00 0.00 C ATOM 1115 O TYR A 78 8.472 -15.800 4.331 1.00 0.00 O ATOM 1116 CB TYR A 78 8.176 -16.862 1.699 1.00 0.00 C ATOM 1117 CG TYR A 78 8.848 -17.346 0.434 1.00 0.00 C ATOM 1118 CD1 TYR A 78 10.227 -17.507 0.374 1.00 0.00 C ATOM 1119 CD2 TYR A 78 8.105 -17.643 -0.702 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.846 -17.949 -0.779 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.714 -18.086 -1.859 1.00 0.00 C ATOM 1122 CZ TYR A 78 10.085 -18.238 -1.893 1.00 0.00 C ATOM 1123 OH TYR A 78 10.697 -18.678 -3.044 1.00 0.00 O ATOM 0 H TYR A 78 6.397 -18.127 2.862 1.00 0.00 H new ATOM 0 HA TYR A 78 9.218 -18.479 2.657 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.099 -16.817 1.534 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.509 -15.846 1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.825 -17.282 1.245 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.032 -17.525 -0.679 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.919 -18.068 -0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.121 -18.312 -2.733 1.00 0.00 H new ATOM 0 HH TYR A 78 11.511 -19.172 -2.813 1.00 0.00 H new ATOM 1133 N SER A 79 10.010 -17.389 4.745 1.00 0.00 N ATOM 1134 CA SER A 79 10.606 -16.674 5.868 1.00 0.00 C ATOM 1135 C SER A 79 11.109 -15.301 5.433 1.00 0.00 C ATOM 1136 O SER A 79 11.902 -15.184 4.498 1.00 0.00 O ATOM 1137 CB SER A 79 11.758 -17.487 6.463 1.00 0.00 C ATOM 1138 OG SER A 79 12.537 -16.696 7.344 1.00 0.00 O ATOM 0 H SER A 79 10.447 -18.287 4.537 1.00 0.00 H new ATOM 0 HA SER A 79 9.837 -16.535 6.628 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.361 -18.349 6.998 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.388 -17.872 5.661 1.00 0.00 H new ATOM 0 HG SER A 79 13.266 -17.238 7.713 1.00 0.00 H new ATOM 1144 N LYS A 80 10.641 -14.263 6.118 1.00 0.00 N ATOM 1145 CA LYS A 80 11.042 -12.896 5.805 1.00 0.00 C ATOM 1146 C LYS A 80 12.556 -12.738 5.901 1.00 0.00 C ATOM 1147 O LYS A 80 13.145 -11.890 5.231 1.00 0.00 O ATOM 1148 CB LYS A 80 10.355 -11.912 6.753 1.00 0.00 C ATOM 1149 CG LYS A 80 8.855 -11.807 6.539 1.00 0.00 C ATOM 1150 CD LYS A 80 8.160 -11.198 7.745 1.00 0.00 C ATOM 1151 CE LYS A 80 8.119 -9.680 7.657 1.00 0.00 C ATOM 1152 NZ LYS A 80 7.472 -9.072 8.853 1.00 0.00 N ATOM 0 H LYS A 80 9.983 -14.342 6.894 1.00 0.00 H new ATOM 0 HA LYS A 80 10.736 -12.679 4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.546 -12.218 7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.802 -10.926 6.626 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.654 -11.199 5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.444 -12.798 6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.144 -11.587 7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.680 -11.497 8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.134 -9.295 7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.576 -9.383 6.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.464 -8.037 8.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.495 -9.420 8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.005 -9.334 9.707 1.00 0.00 H new TER 1166 LYS A 80