USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 hydrogens (9 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 30 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 1 GLY N :NH3+ -175:sc= -0.112 (180deg=-0.172) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0411 USER MOD Single : A 9 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.1) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -101:sc= 0.783 USER MOD Single : A 19 GLN : amide:sc= -14.7! C(o=-15!,f=-18!) USER MOD Single : A 20 LYS NZ :NH3+ -107:sc= 0.891 (180deg=-0.489) USER MOD Single : A 25 GLN :FLIP amide:sc= -6.85! C(o=-10!,f=-6.9!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.735 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 170:sc= 0.601 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.206 F(o=-1.6,f=-0.21) USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.463) USER MOD Single : A 58 SER OG : rot -112:sc= 0.562 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.234) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0636 K(o=-0.064,f=-1) USER MOD Single : A 68 GLN : amide:sc= -0.831 K(o=-0.83,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.054 -19.220 -12.628 1.00 0.00 N ATOM 2 CA GLY A 1 18.485 -17.916 -12.049 1.00 0.00 C ATOM 3 C GLY A 1 18.236 -17.918 -10.540 1.00 0.00 C ATOM 4 O GLY A 1 18.679 -17.041 -9.826 1.00 0.00 O ATOM 0 H1 GLY A 1 18.301 -19.250 -13.638 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.535 -19.997 -12.131 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.025 -19.324 -12.520 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.542 -17.748 -12.253 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.936 -17.099 -12.517 1.00 0.00 H new ATOM 7 N ASP A 2 17.531 -18.900 -10.047 1.00 0.00 N ATOM 8 CA ASP A 2 17.254 -18.958 -8.582 1.00 0.00 C ATOM 9 C ASP A 2 16.344 -17.798 -8.169 1.00 0.00 C ATOM 10 O ASP A 2 16.000 -16.950 -8.969 1.00 0.00 O ATOM 11 CB ASP A 2 18.624 -18.829 -7.914 1.00 0.00 C ATOM 12 CG ASP A 2 18.588 -19.504 -6.542 1.00 0.00 C ATOM 13 OD1 ASP A 2 17.639 -19.269 -5.813 1.00 0.00 O ATOM 14 OD2 ASP A 2 19.511 -20.244 -6.244 1.00 0.00 O ATOM 0 H ASP A 2 17.135 -19.664 -10.594 1.00 0.00 H new ATOM 0 HA ASP A 2 16.745 -19.878 -8.294 1.00 0.00 H new ATOM 0 HB2 ASP A 2 19.390 -19.290 -8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 2 18.891 -17.778 -7.807 1.00 0.00 H new ATOM 19 N THR A 3 15.951 -17.756 -6.925 1.00 0.00 N ATOM 20 CA THR A 3 15.063 -16.651 -6.460 1.00 0.00 C ATOM 21 C THR A 3 13.721 -16.705 -7.196 1.00 0.00 C ATOM 22 O THR A 3 13.625 -17.210 -8.297 1.00 0.00 O ATOM 23 CB THR A 3 15.814 -15.365 -6.807 1.00 0.00 C ATOM 24 OG1 THR A 3 17.203 -15.553 -6.574 1.00 0.00 O ATOM 25 CG2 THR A 3 15.300 -14.220 -5.934 1.00 0.00 C ATOM 0 H THR A 3 16.206 -18.438 -6.211 1.00 0.00 H new ATOM 0 HA THR A 3 14.843 -16.719 -5.395 1.00 0.00 H new ATOM 0 HB THR A 3 15.650 -15.120 -7.856 1.00 0.00 H new ATOM 0 HG1 THR A 3 17.686 -14.730 -6.797 1.00 0.00 H new ATOM 0 HG21 THR A 3 15.836 -13.304 -6.182 1.00 0.00 H new ATOM 0 HG22 THR A 3 14.234 -14.076 -6.113 1.00 0.00 H new ATOM 0 HG23 THR A 3 15.463 -14.462 -4.884 1.00 0.00 H new ATOM 33 N LEU A 4 12.684 -16.190 -6.594 1.00 0.00 N ATOM 34 CA LEU A 4 11.348 -16.212 -7.257 1.00 0.00 C ATOM 35 C LEU A 4 11.487 -15.865 -8.742 1.00 0.00 C ATOM 36 O LEU A 4 11.497 -14.711 -9.122 1.00 0.00 O ATOM 37 CB LEU A 4 10.530 -15.143 -6.531 1.00 0.00 C ATOM 38 CG LEU A 4 9.103 -15.651 -6.315 1.00 0.00 C ATOM 39 CD1 LEU A 4 8.698 -15.428 -4.857 1.00 0.00 C ATOM 40 CD2 LEU A 4 8.147 -14.886 -7.233 1.00 0.00 C ATOM 0 H LEU A 4 12.703 -15.755 -5.672 1.00 0.00 H new ATOM 0 HA LEU A 4 10.877 -17.193 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 4 10.992 -14.905 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.515 -14.223 -7.115 1.00 0.00 H new ATOM 0 HG LEU A 4 9.056 -16.715 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.681 -15.790 -4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.380 -15.971 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.744 -14.364 -4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.130 -15.247 -7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.193 -13.822 -7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.436 -15.044 -8.272 1.00 0.00 H new ATOM 52 N GLY A 5 11.593 -16.856 -9.585 1.00 0.00 N ATOM 53 CA GLY A 5 11.731 -16.581 -11.044 1.00 0.00 C ATOM 54 C GLY A 5 10.410 -16.891 -11.749 1.00 0.00 C ATOM 55 O GLY A 5 9.498 -17.445 -11.168 1.00 0.00 O ATOM 0 H GLY A 5 11.590 -17.843 -9.327 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.005 -15.538 -11.204 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.532 -17.189 -11.465 1.00 0.00 H new ATOM 59 N ALA A 6 10.300 -16.540 -13.002 1.00 0.00 N ATOM 60 CA ALA A 6 9.036 -16.816 -13.745 1.00 0.00 C ATOM 61 C ALA A 6 7.838 -16.234 -12.989 1.00 0.00 C ATOM 62 O ALA A 6 7.374 -16.795 -12.017 1.00 0.00 O ATOM 63 CB ALA A 6 8.940 -18.340 -13.811 1.00 0.00 C ATOM 0 H ALA A 6 11.029 -16.075 -13.543 1.00 0.00 H new ATOM 0 HA ALA A 6 9.034 -16.364 -14.737 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.033 -18.625 -14.345 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.809 -18.737 -14.335 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.909 -18.747 -12.800 1.00 0.00 H new ATOM 69 N SER A 7 7.334 -15.114 -13.429 1.00 0.00 N ATOM 70 CA SER A 7 6.166 -14.499 -12.735 1.00 0.00 C ATOM 71 C SER A 7 4.949 -15.422 -12.834 1.00 0.00 C ATOM 72 O SER A 7 5.057 -16.566 -13.230 1.00 0.00 O ATOM 73 CB SER A 7 5.908 -13.188 -13.478 1.00 0.00 C ATOM 74 OG SER A 7 4.908 -13.398 -14.468 1.00 0.00 O ATOM 0 H SER A 7 7.680 -14.598 -14.238 1.00 0.00 H new ATOM 0 HA SER A 7 6.355 -14.334 -11.674 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.587 -12.417 -12.778 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.828 -12.833 -13.943 1.00 0.00 H new ATOM 0 HG SER A 7 4.739 -12.559 -14.945 1.00 0.00 H new ATOM 80 N TRP A 8 3.791 -14.936 -12.478 1.00 0.00 N ATOM 81 CA TRP A 8 2.571 -15.792 -12.552 1.00 0.00 C ATOM 82 C TRP A 8 1.686 -15.355 -13.722 1.00 0.00 C ATOM 83 O TRP A 8 2.066 -14.528 -14.529 1.00 0.00 O ATOM 84 CB TRP A 8 1.850 -15.572 -11.223 1.00 0.00 C ATOM 85 CG TRP A 8 1.420 -14.144 -11.116 1.00 0.00 C ATOM 86 CD1 TRP A 8 0.445 -13.568 -11.857 1.00 0.00 C ATOM 87 CD2 TRP A 8 1.931 -13.104 -10.233 1.00 0.00 C ATOM 88 NE1 TRP A 8 0.325 -12.241 -11.485 1.00 0.00 N ATOM 89 CE2 TRP A 8 1.220 -11.907 -10.487 1.00 0.00 C ATOM 90 CE3 TRP A 8 2.932 -13.084 -9.246 1.00 0.00 C ATOM 91 CZ2 TRP A 8 1.493 -10.732 -9.787 1.00 0.00 C ATOM 92 CZ3 TRP A 8 3.209 -11.902 -8.539 1.00 0.00 C ATOM 93 CH2 TRP A 8 2.491 -10.729 -8.809 1.00 0.00 C ATOM 0 H TRP A 8 3.636 -13.986 -12.140 1.00 0.00 H new ATOM 0 HA TRP A 8 2.814 -16.842 -12.714 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.983 -16.229 -11.155 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.509 -15.827 -10.393 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.143 -14.063 -12.615 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.342 -11.589 -11.897 1.00 0.00 H new ATOM 0 HE3 TRP A 8 3.491 -13.982 -9.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.937 -9.831 -9.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.980 -11.897 -7.783 1.00 0.00 H new ATOM 0 HH2 TRP A 8 2.709 -9.824 -8.262 1.00 0.00 H new ATOM 104 N HIS A 9 0.507 -15.907 -13.821 1.00 0.00 N ATOM 105 CA HIS A 9 -0.405 -15.528 -14.939 1.00 0.00 C ATOM 106 C HIS A 9 -1.863 -15.705 -14.510 1.00 0.00 C ATOM 107 O HIS A 9 -2.226 -16.695 -13.903 1.00 0.00 O ATOM 108 CB HIS A 9 -0.059 -16.487 -16.080 1.00 0.00 C ATOM 109 CG HIS A 9 0.204 -17.861 -15.523 1.00 0.00 C ATOM 110 ND1 HIS A 9 1.488 -18.348 -15.335 1.00 0.00 N ATOM 111 CD2 HIS A 9 -0.641 -18.859 -15.108 1.00 0.00 C ATOM 112 CE1 HIS A 9 1.380 -19.589 -14.826 1.00 0.00 C ATOM 113 NE2 HIS A 9 0.103 -19.950 -14.668 1.00 0.00 N ATOM 0 H HIS A 9 0.135 -16.604 -13.176 1.00 0.00 H new ATOM 0 HA HIS A 9 -0.284 -14.486 -15.236 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -0.879 -16.525 -16.798 1.00 0.00 H new ATOM 0 HB3 HIS A 9 0.818 -16.127 -16.617 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -1.720 -18.806 -15.121 1.00 0.00 H new ATOM 0 HE1 HIS A 9 2.222 -20.217 -14.576 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -0.250 -20.835 -14.303 1.00 0.00 H new ATOM 121 N ARG A 10 -2.702 -14.756 -14.819 1.00 0.00 N ATOM 122 CA ARG A 10 -4.136 -14.870 -14.425 1.00 0.00 C ATOM 123 C ARG A 10 -4.251 -15.075 -12.912 1.00 0.00 C ATOM 124 O ARG A 10 -4.562 -16.155 -12.452 1.00 0.00 O ATOM 125 CB ARG A 10 -4.656 -16.096 -15.177 1.00 0.00 C ATOM 126 CG ARG A 10 -4.567 -15.845 -16.684 1.00 0.00 C ATOM 127 CD ARG A 10 -5.298 -16.961 -17.433 1.00 0.00 C ATOM 128 NE ARG A 10 -4.518 -17.157 -18.687 1.00 0.00 N ATOM 129 CZ ARG A 10 -4.420 -18.347 -19.216 1.00 0.00 C ATOM 130 NH1 ARG A 10 -5.314 -19.258 -18.944 1.00 0.00 N ATOM 131 NH2 ARG A 10 -3.429 -18.624 -20.018 1.00 0.00 N ATOM 0 H ARG A 10 -2.458 -13.906 -15.327 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.706 -13.973 -14.667 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.071 -16.976 -14.909 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.688 -16.300 -14.892 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.008 -14.879 -16.929 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.523 -15.807 -16.996 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.332 -17.876 -16.842 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.329 -16.682 -17.649 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.060 -16.362 -19.132 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.090 -19.041 -18.318 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.237 -20.187 -19.357 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.731 -17.911 -20.232 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.352 -19.553 -20.431 1.00 0.00 H new ATOM 145 N PRO A 11 -3.989 -14.020 -12.193 1.00 0.00 N ATOM 146 CA PRO A 11 -4.055 -14.068 -10.714 1.00 0.00 C ATOM 147 C PRO A 11 -5.509 -13.980 -10.240 1.00 0.00 C ATOM 148 O PRO A 11 -6.310 -13.258 -10.797 1.00 0.00 O ATOM 149 CB PRO A 11 -3.268 -12.834 -10.284 1.00 0.00 C ATOM 150 CG PRO A 11 -3.353 -11.883 -11.440 1.00 0.00 C ATOM 151 CD PRO A 11 -3.609 -12.695 -12.688 1.00 0.00 C ATOM 0 HA PRO A 11 -3.655 -14.992 -10.296 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.691 -12.393 -9.381 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.232 -13.088 -10.060 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.155 -11.161 -11.283 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.427 -11.315 -11.537 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.402 -12.255 -13.292 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.720 -12.746 -13.317 1.00 0.00 H new ATOM 159 N ASP A 12 -5.853 -14.708 -9.212 1.00 0.00 N ATOM 160 CA ASP A 12 -7.253 -14.661 -8.702 1.00 0.00 C ATOM 161 C ASP A 12 -7.259 -14.342 -7.205 1.00 0.00 C ATOM 162 O ASP A 12 -8.297 -14.292 -6.575 1.00 0.00 O ATOM 163 CB ASP A 12 -7.814 -16.062 -8.953 1.00 0.00 C ATOM 164 CG ASP A 12 -9.309 -15.964 -9.264 1.00 0.00 C ATOM 165 OD1 ASP A 12 -9.877 -14.912 -9.015 1.00 0.00 O ATOM 166 OD2 ASP A 12 -9.860 -16.940 -9.745 1.00 0.00 O ATOM 0 H ASP A 12 -5.226 -15.332 -8.704 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.846 -13.890 -9.194 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.289 -16.532 -9.784 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.654 -16.692 -8.078 1.00 0.00 H new ATOM 171 N LYS A 13 -6.108 -14.124 -6.630 1.00 0.00 N ATOM 172 CA LYS A 13 -6.050 -13.807 -5.175 1.00 0.00 C ATOM 173 C LYS A 13 -6.670 -12.434 -4.909 1.00 0.00 C ATOM 174 O LYS A 13 -6.236 -11.432 -5.441 1.00 0.00 O ATOM 175 CB LYS A 13 -4.561 -13.801 -4.829 1.00 0.00 C ATOM 176 CG LYS A 13 -4.188 -15.120 -4.149 1.00 0.00 C ATOM 177 CD LYS A 13 -3.348 -14.835 -2.902 1.00 0.00 C ATOM 178 CE LYS A 13 -3.271 -16.097 -2.039 1.00 0.00 C ATOM 179 NZ LYS A 13 -3.066 -15.600 -0.649 1.00 0.00 N ATOM 0 H LYS A 13 -5.206 -14.152 -7.105 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.604 -14.527 -4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.968 -13.666 -5.733 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.334 -12.963 -4.170 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.090 -15.667 -3.875 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.629 -15.752 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.346 -14.517 -3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.790 -14.018 -2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.185 -16.685 -2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.450 -16.741 -2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.003 -16.408 0.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.185 -15.049 -0.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.867 -14.995 -0.375 1.00 0.00 H new ATOM 193 N CYS A 14 -7.688 -12.381 -4.093 1.00 0.00 N ATOM 194 CA CYS A 14 -8.339 -11.074 -3.793 1.00 0.00 C ATOM 195 C CYS A 14 -7.284 -9.987 -3.578 1.00 0.00 C ATOM 196 O CYS A 14 -7.527 -8.818 -3.809 1.00 0.00 O ATOM 197 CB CYS A 14 -9.129 -11.312 -2.507 1.00 0.00 C ATOM 198 SG CYS A 14 -10.803 -11.867 -2.917 1.00 0.00 S ATOM 0 H CYS A 14 -8.097 -13.187 -3.621 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.977 -10.737 -4.610 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.627 -12.060 -1.893 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.173 -10.395 -1.920 1.00 0.00 H new ATOM 203 N CYS A 15 -6.116 -10.358 -3.131 1.00 0.00 N ATOM 204 CA CYS A 15 -5.053 -9.339 -2.894 1.00 0.00 C ATOM 205 C CYS A 15 -3.694 -10.018 -2.695 1.00 0.00 C ATOM 206 O CYS A 15 -3.572 -11.224 -2.784 1.00 0.00 O ATOM 207 CB CYS A 15 -5.481 -8.619 -1.615 1.00 0.00 C ATOM 208 SG CYS A 15 -5.339 -6.832 -1.847 1.00 0.00 S ATOM 0 H CYS A 15 -5.851 -11.320 -2.920 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.943 -8.656 -3.736 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.508 -8.883 -1.364 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.857 -8.938 -0.780 1.00 0.00 H new ATOM 213 N LEU A 16 -2.675 -9.250 -2.415 1.00 0.00 N ATOM 214 CA LEU A 16 -1.324 -9.845 -2.198 1.00 0.00 C ATOM 215 C LEU A 16 -1.212 -10.364 -0.764 1.00 0.00 C ATOM 216 O LEU A 16 -0.131 -10.581 -0.253 1.00 0.00 O ATOM 217 CB LEU A 16 -0.345 -8.690 -2.414 1.00 0.00 C ATOM 218 CG LEU A 16 -0.011 -8.573 -3.903 1.00 0.00 C ATOM 219 CD1 LEU A 16 -0.213 -7.127 -4.358 1.00 0.00 C ATOM 220 CD2 LEU A 16 1.446 -8.981 -4.131 1.00 0.00 C ATOM 0 H LEU A 16 -2.720 -8.235 -2.327 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.127 -10.682 -2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.781 -7.758 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.565 -8.859 -1.839 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.666 -9.229 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.025 -7.043 -5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.251 -6.836 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.443 -6.471 -3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.685 -8.898 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.101 -8.325 -3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.590 -10.011 -3.806 1.00 0.00 H new ATOM 232 N GLY A 17 -2.322 -10.543 -0.105 1.00 0.00 N ATOM 233 CA GLY A 17 -2.280 -11.021 1.303 1.00 0.00 C ATOM 234 C GLY A 17 -1.856 -9.851 2.185 1.00 0.00 C ATOM 235 O GLY A 17 -2.615 -9.375 2.994 1.00 0.00 O ATOM 0 H GLY A 17 -3.256 -10.379 -0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.258 -11.394 1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.578 -11.848 1.404 1.00 0.00 H new ATOM 239 N TYR A 18 -0.645 -9.390 2.003 1.00 0.00 N ATOM 240 CA TYR A 18 -0.105 -8.234 2.780 1.00 0.00 C ATOM 241 C TYR A 18 1.339 -7.976 2.344 1.00 0.00 C ATOM 242 O TYR A 18 2.165 -8.868 2.342 1.00 0.00 O ATOM 243 CB TYR A 18 -0.163 -8.647 4.250 1.00 0.00 C ATOM 244 CG TYR A 18 -1.482 -8.225 4.871 1.00 0.00 C ATOM 245 CD1 TYR A 18 -2.468 -7.591 4.100 1.00 0.00 C ATOM 246 CD2 TYR A 18 -1.713 -8.468 6.231 1.00 0.00 C ATOM 247 CE1 TYR A 18 -3.678 -7.205 4.687 1.00 0.00 C ATOM 248 CE2 TYR A 18 -2.925 -8.082 6.818 1.00 0.00 C ATOM 249 CZ TYR A 18 -3.907 -7.451 6.045 1.00 0.00 C ATOM 250 OH TYR A 18 -5.100 -7.070 6.625 1.00 0.00 O ATOM 0 H TYR A 18 0.011 -9.780 1.327 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.674 -7.319 2.616 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.044 -9.727 4.335 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.664 -8.191 4.794 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.293 -7.401 3.051 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.955 -8.954 6.828 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -4.435 -6.717 4.092 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.102 -8.271 7.867 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.969 -6.238 7.126 1.00 0.00 H new ATOM 260 N GLN A 19 1.648 -6.769 1.962 1.00 0.00 N ATOM 261 CA GLN A 19 3.036 -6.465 1.513 1.00 0.00 C ATOM 262 C GLN A 19 4.054 -7.054 2.494 1.00 0.00 C ATOM 263 O GLN A 19 3.974 -6.850 3.688 1.00 0.00 O ATOM 264 CB GLN A 19 3.120 -4.933 1.480 1.00 0.00 C ATOM 265 CG GLN A 19 4.548 -4.476 1.774 1.00 0.00 C ATOM 266 CD GLN A 19 5.370 -4.522 0.488 1.00 0.00 C ATOM 267 OE1 GLN A 19 6.013 -3.556 0.131 1.00 0.00 O ATOM 268 NE2 GLN A 19 5.378 -5.610 -0.224 1.00 0.00 N ATOM 0 H GLN A 19 1.001 -5.981 1.941 1.00 0.00 H new ATOM 0 HA GLN A 19 3.260 -6.899 0.539 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.807 -4.565 0.503 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.436 -4.508 2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.542 -3.464 2.179 1.00 0.00 H new ATOM 0 HG3 GLN A 19 4.999 -5.119 2.530 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.837 -6.421 0.077 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.925 -5.653 -1.084 1.00 0.00 H new ATOM 277 N LYS A 20 5.017 -7.773 1.990 1.00 0.00 N ATOM 278 CA LYS A 20 6.056 -8.369 2.880 1.00 0.00 C ATOM 279 C LYS A 20 7.290 -7.463 2.904 1.00 0.00 C ATOM 280 O LYS A 20 7.940 -7.303 3.917 1.00 0.00 O ATOM 281 CB LYS A 20 6.393 -9.721 2.250 1.00 0.00 C ATOM 282 CG LYS A 20 5.949 -10.846 3.185 1.00 0.00 C ATOM 283 CD LYS A 20 4.699 -11.519 2.614 1.00 0.00 C ATOM 284 CE LYS A 20 3.481 -11.135 3.458 1.00 0.00 C ATOM 285 NZ LYS A 20 2.304 -11.550 2.646 1.00 0.00 N ATOM 0 H LYS A 20 5.131 -7.975 0.997 1.00 0.00 H new ATOM 0 HA LYS A 20 5.714 -8.480 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.895 -9.818 1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.465 -9.790 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.750 -11.577 3.298 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.739 -10.447 4.178 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.549 -11.212 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.825 -12.602 2.610 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.494 -11.642 4.423 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.463 -10.064 3.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.838 -10.707 2.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.618 -12.165 1.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.633 -12.069 3.248 1.00 0.00 H new ATOM 299 N ARG A 21 7.606 -6.865 1.788 1.00 0.00 N ATOM 300 CA ARG A 21 8.787 -5.958 1.727 1.00 0.00 C ATOM 301 C ARG A 21 8.376 -4.539 2.105 1.00 0.00 C ATOM 302 O ARG A 21 7.216 -4.186 2.046 1.00 0.00 O ATOM 303 CB ARG A 21 9.251 -6.013 0.271 1.00 0.00 C ATOM 304 CG ARG A 21 9.813 -7.403 -0.033 1.00 0.00 C ATOM 305 CD ARG A 21 11.038 -7.272 -0.940 1.00 0.00 C ATOM 306 NE ARG A 21 11.868 -8.471 -0.641 1.00 0.00 N ATOM 307 CZ ARG A 21 13.170 -8.399 -0.711 1.00 0.00 C ATOM 308 NH1 ARG A 21 13.832 -7.706 0.174 1.00 0.00 N ATOM 309 NH2 ARG A 21 13.807 -9.019 -1.666 1.00 0.00 N ATOM 0 H ARG A 21 7.094 -6.966 0.912 1.00 0.00 H new ATOM 0 HA ARG A 21 9.576 -6.256 2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.418 -5.792 -0.396 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.013 -5.254 0.092 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.086 -7.907 0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.053 -8.016 -0.517 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.750 -7.243 -1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 21 11.585 -6.352 -0.734 1.00 0.00 H new ATOM 0 HE ARG A 21 11.419 -9.349 -0.381 1.00 0.00 H new ATOM 0 HH11 ARG A 21 13.333 -7.221 0.920 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.849 -7.649 0.120 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.288 -9.560 -2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 21 14.824 -8.963 -1.721 1.00 0.00 H new ATOM 323 N PRO A 22 9.351 -3.771 2.480 1.00 0.00 N ATOM 324 CA PRO A 22 9.107 -2.366 2.870 1.00 0.00 C ATOM 325 C PRO A 22 8.731 -1.529 1.651 1.00 0.00 C ATOM 326 O PRO A 22 9.261 -1.703 0.572 1.00 0.00 O ATOM 327 CB PRO A 22 10.435 -1.920 3.459 1.00 0.00 C ATOM 328 CG PRO A 22 11.454 -2.833 2.850 1.00 0.00 C ATOM 329 CD PRO A 22 10.764 -4.138 2.573 1.00 0.00 C ATOM 0 HA PRO A 22 8.282 -2.253 3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.644 -0.878 3.217 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.432 -2.001 4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.854 -2.406 1.931 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.296 -2.978 3.527 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.121 -4.591 1.649 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.938 -4.860 3.371 1.00 0.00 H new ATOM 337 N LEU A 23 7.806 -0.633 1.819 1.00 0.00 N ATOM 338 CA LEU A 23 7.370 0.212 0.675 1.00 0.00 C ATOM 339 C LEU A 23 7.183 1.671 1.093 1.00 0.00 C ATOM 340 O LEU A 23 6.494 1.968 2.047 1.00 0.00 O ATOM 341 CB LEU A 23 6.043 -0.388 0.242 1.00 0.00 C ATOM 342 CG LEU A 23 6.259 -1.137 -1.061 1.00 0.00 C ATOM 343 CD1 LEU A 23 4.973 -1.865 -1.461 1.00 0.00 C ATOM 344 CD2 LEU A 23 6.646 -0.135 -2.151 1.00 0.00 C ATOM 0 H LEU A 23 7.330 -0.447 2.702 1.00 0.00 H new ATOM 0 HA LEU A 23 8.111 0.221 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.663 -1.063 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.297 0.396 0.110 1.00 0.00 H new ATOM 0 HG LEU A 23 7.055 -1.871 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.134 -2.401 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.698 -2.574 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.170 -1.140 -1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.803 -0.663 -3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.846 0.595 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.564 0.378 -1.865 1.00 0.00 H new ATOM 356 N PRO A 24 7.805 2.536 0.341 1.00 0.00 N ATOM 357 CA PRO A 24 7.720 3.985 0.595 1.00 0.00 C ATOM 358 C PRO A 24 6.530 4.591 -0.156 1.00 0.00 C ATOM 359 O PRO A 24 5.952 3.975 -1.028 1.00 0.00 O ATOM 360 CB PRO A 24 9.027 4.512 0.022 1.00 0.00 C ATOM 361 CG PRO A 24 9.448 3.512 -1.021 1.00 0.00 C ATOM 362 CD PRO A 24 8.650 2.243 -0.811 1.00 0.00 C ATOM 0 HA PRO A 24 7.578 4.230 1.648 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.892 5.501 -0.416 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.785 4.609 0.800 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.273 3.910 -2.021 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.516 3.307 -0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.054 1.998 -1.690 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.302 1.390 -0.620 1.00 0.00 H new ATOM 370 N GLN A 25 6.171 5.797 0.175 1.00 0.00 N ATOM 371 CA GLN A 25 5.028 6.460 -0.514 1.00 0.00 C ATOM 372 C GLN A 25 5.533 7.311 -1.683 1.00 0.00 C ATOM 373 O GLN A 25 4.825 7.552 -2.640 1.00 0.00 O ATOM 374 CB GLN A 25 4.385 7.347 0.551 1.00 0.00 C ATOM 375 CG GLN A 25 3.554 8.442 -0.125 1.00 0.00 C ATOM 376 CD GLN A 25 4.390 9.718 -0.276 1.00 0.00 C ATOM 377 OE1 GLN A 25 5.679 9.676 -0.076 1.00 0.00 O flip ATOM 378 NE2 GLN A 25 3.861 10.767 -0.584 1.00 0.00 N flip ATOM 0 H GLN A 25 6.622 6.357 0.898 1.00 0.00 H new ATOM 0 HA GLN A 25 4.323 5.739 -0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.752 6.747 1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.155 7.796 1.178 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.216 8.101 -1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.662 8.650 0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.854 10.803 -0.741 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.424 11.612 -0.686 1.00 0.00 H new ATOM 387 N VAL A 26 6.752 7.772 -1.609 1.00 0.00 N ATOM 388 CA VAL A 26 7.302 8.610 -2.706 1.00 0.00 C ATOM 389 C VAL A 26 7.373 7.803 -4.005 1.00 0.00 C ATOM 390 O VAL A 26 7.626 8.337 -5.067 1.00 0.00 O ATOM 391 CB VAL A 26 8.696 8.998 -2.221 1.00 0.00 C ATOM 392 CG1 VAL A 26 9.627 9.175 -3.417 1.00 0.00 C ATOM 393 CG2 VAL A 26 8.616 10.311 -1.440 1.00 0.00 C ATOM 0 H VAL A 26 7.391 7.602 -0.832 1.00 0.00 H new ATOM 0 HA VAL A 26 6.687 9.483 -2.923 1.00 0.00 H new ATOM 0 HB VAL A 26 9.085 8.211 -1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.621 9.452 -3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.686 8.240 -3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.240 9.960 -4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.611 10.589 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.225 11.096 -2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.955 10.185 -0.583 1.00 0.00 H new ATOM 403 N LEU A 27 7.149 6.520 -3.930 1.00 0.00 N ATOM 404 CA LEU A 27 7.203 5.683 -5.161 1.00 0.00 C ATOM 405 C LEU A 27 5.791 5.252 -5.569 1.00 0.00 C ATOM 406 O LEU A 27 5.544 4.909 -6.708 1.00 0.00 O ATOM 407 CB LEU A 27 8.046 4.467 -4.778 1.00 0.00 C ATOM 408 CG LEU A 27 8.626 3.831 -6.041 1.00 0.00 C ATOM 409 CD1 LEU A 27 9.890 4.583 -6.458 1.00 0.00 C ATOM 410 CD2 LEU A 27 8.973 2.366 -5.760 1.00 0.00 C ATOM 0 H LEU A 27 6.931 6.016 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 27 7.628 6.221 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.851 4.766 -4.106 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.435 3.742 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 27 7.891 3.884 -6.844 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.303 4.129 -7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.644 5.626 -6.658 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.626 4.531 -5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.387 1.911 -6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.708 2.314 -4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.072 1.829 -5.463 1.00 0.00 H new ATOM 422 N LEU A 28 4.863 5.263 -4.649 1.00 0.00 N ATOM 423 CA LEU A 28 3.477 4.849 -4.995 1.00 0.00 C ATOM 424 C LEU A 28 2.617 6.076 -5.304 1.00 0.00 C ATOM 425 O LEU A 28 2.926 7.179 -4.901 1.00 0.00 O ATOM 426 CB LEU A 28 2.943 4.139 -3.751 1.00 0.00 C ATOM 427 CG LEU A 28 4.038 3.282 -3.113 1.00 0.00 C ATOM 428 CD1 LEU A 28 3.688 3.025 -1.647 1.00 0.00 C ATOM 429 CD2 LEU A 28 4.133 1.945 -3.848 1.00 0.00 C ATOM 0 H LEU A 28 5.006 5.540 -3.678 1.00 0.00 H new ATOM 0 HA LEU A 28 3.456 4.207 -5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.583 4.874 -3.032 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.092 3.512 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 28 4.993 3.804 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.466 2.414 -1.189 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.614 3.975 -1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.734 2.502 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.913 1.335 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.178 1.424 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.375 2.122 -4.896 1.00 0.00 H new ATOM 441 N SER A 29 1.536 5.893 -6.014 1.00 0.00 N ATOM 442 CA SER A 29 0.662 7.056 -6.336 1.00 0.00 C ATOM 443 C SER A 29 -0.402 7.236 -5.251 1.00 0.00 C ATOM 444 O SER A 29 -0.442 8.237 -4.565 1.00 0.00 O ATOM 445 CB SER A 29 0.010 6.709 -7.673 1.00 0.00 C ATOM 446 OG SER A 29 -0.705 7.840 -8.154 1.00 0.00 O ATOM 0 H SER A 29 1.223 4.995 -6.382 1.00 0.00 H new ATOM 0 HA SER A 29 1.223 7.989 -6.388 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.770 6.411 -8.395 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.665 5.862 -7.553 1.00 0.00 H new ATOM 0 HG SER A 29 -1.123 7.622 -9.013 1.00 0.00 H new ATOM 452 N SER A 30 -1.264 6.273 -5.096 1.00 0.00 N ATOM 453 CA SER A 30 -2.330 6.383 -4.058 1.00 0.00 C ATOM 454 C SER A 30 -2.726 4.991 -3.556 1.00 0.00 C ATOM 455 O SER A 30 -2.089 4.004 -3.866 1.00 0.00 O ATOM 456 CB SER A 30 -3.506 7.050 -4.769 1.00 0.00 C ATOM 457 OG SER A 30 -3.648 6.491 -6.068 1.00 0.00 O ATOM 0 H SER A 30 -1.279 5.412 -5.643 1.00 0.00 H new ATOM 0 HA SER A 30 -2.002 6.953 -3.188 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.422 6.905 -4.196 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.341 8.125 -4.839 1.00 0.00 H new ATOM 0 HG SER A 30 -4.403 6.916 -6.526 1.00 0.00 H new ATOM 463 N TRP A 31 -3.776 4.907 -2.786 1.00 0.00 N ATOM 464 CA TRP A 31 -4.217 3.581 -2.263 1.00 0.00 C ATOM 465 C TRP A 31 -5.727 3.580 -2.051 1.00 0.00 C ATOM 466 O TRP A 31 -6.359 4.615 -2.004 1.00 0.00 O ATOM 467 CB TRP A 31 -3.513 3.425 -0.918 1.00 0.00 C ATOM 468 CG TRP A 31 -4.002 4.482 0.011 1.00 0.00 C ATOM 469 CD1 TRP A 31 -3.734 5.795 -0.122 1.00 0.00 C ATOM 470 CD2 TRP A 31 -4.836 4.350 1.200 1.00 0.00 C ATOM 471 NE1 TRP A 31 -4.339 6.485 0.912 1.00 0.00 N ATOM 472 CE2 TRP A 31 -5.034 5.638 1.752 1.00 0.00 C ATOM 473 CE3 TRP A 31 -5.431 3.252 1.847 1.00 0.00 C ATOM 474 CZ2 TRP A 31 -5.796 5.830 2.905 1.00 0.00 C ATOM 475 CZ3 TRP A 31 -6.200 3.443 3.008 1.00 0.00 C ATOM 476 CH2 TRP A 31 -6.382 4.730 3.535 1.00 0.00 C ATOM 0 H TRP A 31 -4.349 5.700 -2.496 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.977 2.772 -2.953 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.711 2.437 -0.502 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -2.434 3.507 -1.046 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.142 6.238 -0.909 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.279 7.495 1.039 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.296 2.257 1.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.932 6.823 3.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -6.653 2.594 3.497 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -6.975 4.870 4.427 1.00 0.00 H new ATOM 487 N TYR A 32 -6.307 2.427 -1.902 1.00 0.00 N ATOM 488 CA TYR A 32 -7.778 2.370 -1.668 1.00 0.00 C ATOM 489 C TYR A 32 -8.126 1.135 -0.833 1.00 0.00 C ATOM 490 O TYR A 32 -7.644 0.049 -1.089 1.00 0.00 O ATOM 491 CB TYR A 32 -8.417 2.330 -3.062 1.00 0.00 C ATOM 492 CG TYR A 32 -8.508 0.915 -3.578 1.00 0.00 C ATOM 493 CD1 TYR A 32 -9.381 0.001 -2.978 1.00 0.00 C ATOM 494 CD2 TYR A 32 -7.731 0.524 -4.673 1.00 0.00 C ATOM 495 CE1 TYR A 32 -9.474 -1.305 -3.470 1.00 0.00 C ATOM 496 CE2 TYR A 32 -7.825 -0.780 -5.169 1.00 0.00 C ATOM 497 CZ TYR A 32 -8.697 -1.696 -4.568 1.00 0.00 C ATOM 498 OH TYR A 32 -8.790 -2.983 -5.056 1.00 0.00 O ATOM 0 H TYR A 32 -5.833 1.524 -1.931 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.148 3.228 -1.106 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.413 2.770 -3.021 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -7.829 2.935 -3.752 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.983 0.304 -2.134 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.058 1.230 -5.136 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.145 -2.012 -3.004 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.225 -1.081 -6.015 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.185 -3.088 -5.820 1.00 0.00 H new ATOM 508 N PRO A 33 -8.944 1.361 0.159 1.00 0.00 N ATOM 509 CA PRO A 33 -9.361 0.274 1.079 1.00 0.00 C ATOM 510 C PRO A 33 -10.267 -0.730 0.359 1.00 0.00 C ATOM 511 O PRO A 33 -11.032 -0.375 -0.515 1.00 0.00 O ATOM 512 CB PRO A 33 -10.116 1.009 2.181 1.00 0.00 C ATOM 513 CG PRO A 33 -10.591 2.265 1.538 1.00 0.00 C ATOM 514 CD PRO A 33 -9.557 2.643 0.514 1.00 0.00 C ATOM 0 HA PRO A 33 -8.523 -0.308 1.461 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.950 0.415 2.554 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.469 1.220 3.032 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.564 2.116 1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.711 3.057 2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.008 3.126 -0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.824 3.339 0.922 1.00 0.00 H new ATOM 522 N THR A 34 -10.185 -1.981 0.720 1.00 0.00 N ATOM 523 CA THR A 34 -11.041 -3.006 0.052 1.00 0.00 C ATOM 524 C THR A 34 -12.112 -3.514 1.020 1.00 0.00 C ATOM 525 O THR A 34 -12.259 -3.013 2.117 1.00 0.00 O ATOM 526 CB THR A 34 -10.097 -4.152 -0.350 1.00 0.00 C ATOM 527 OG1 THR A 34 -10.535 -5.357 0.261 1.00 0.00 O ATOM 528 CG2 THR A 34 -8.663 -3.848 0.096 1.00 0.00 C ATOM 0 H THR A 34 -9.565 -2.339 1.446 1.00 0.00 H new ATOM 0 HA THR A 34 -11.557 -2.593 -0.815 1.00 0.00 H new ATOM 0 HB THR A 34 -10.112 -4.257 -1.435 1.00 0.00 H new ATOM 0 HG1 THR A 34 -9.936 -6.090 0.006 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.009 -4.669 -0.197 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.322 -2.927 -0.377 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.636 -3.731 1.179 1.00 0.00 H new ATOM 536 N SER A 35 -12.859 -4.506 0.622 1.00 0.00 N ATOM 537 CA SER A 35 -13.921 -5.049 1.517 1.00 0.00 C ATOM 538 C SER A 35 -13.315 -6.032 2.520 1.00 0.00 C ATOM 539 O SER A 35 -12.175 -6.435 2.398 1.00 0.00 O ATOM 540 CB SER A 35 -14.895 -5.767 0.586 1.00 0.00 C ATOM 541 OG SER A 35 -16.185 -5.788 1.183 1.00 0.00 O ATOM 0 H SER A 35 -12.780 -4.965 -0.285 1.00 0.00 H new ATOM 0 HA SER A 35 -14.412 -4.267 2.096 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.936 -5.260 -0.378 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.552 -6.784 0.397 1.00 0.00 H new ATOM 0 HG SER A 35 -16.814 -6.247 0.587 1.00 0.00 H new ATOM 547 N GLN A 36 -14.067 -6.421 3.512 1.00 0.00 N ATOM 548 CA GLN A 36 -13.533 -7.378 4.523 1.00 0.00 C ATOM 549 C GLN A 36 -14.225 -8.737 4.382 1.00 0.00 C ATOM 550 O GLN A 36 -14.721 -9.295 5.341 1.00 0.00 O ATOM 551 CB GLN A 36 -13.860 -6.747 5.876 1.00 0.00 C ATOM 552 CG GLN A 36 -12.589 -6.672 6.725 1.00 0.00 C ATOM 553 CD GLN A 36 -12.901 -5.973 8.050 1.00 0.00 C ATOM 554 OE1 GLN A 36 -12.547 -4.827 8.244 1.00 0.00 O ATOM 555 NE2 GLN A 36 -13.554 -6.619 8.978 1.00 0.00 N ATOM 0 H GLN A 36 -15.029 -6.118 3.667 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.464 -7.553 4.403 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -14.274 -5.749 5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -14.619 -7.336 6.390 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.204 -7.675 6.912 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.812 -6.127 6.188 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.852 -7.581 8.816 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.766 -6.162 9.865 1.00 0.00 H new ATOM 564 N LEU A 37 -14.266 -9.272 3.192 1.00 0.00 N ATOM 565 CA LEU A 37 -14.930 -10.594 2.990 1.00 0.00 C ATOM 566 C LEU A 37 -13.976 -11.568 2.292 1.00 0.00 C ATOM 567 O LEU A 37 -14.071 -12.768 2.455 1.00 0.00 O ATOM 568 CB LEU A 37 -16.138 -10.297 2.102 1.00 0.00 C ATOM 569 CG LEU A 37 -17.226 -11.342 2.350 1.00 0.00 C ATOM 570 CD1 LEU A 37 -18.120 -10.886 3.504 1.00 0.00 C ATOM 571 CD2 LEU A 37 -18.072 -11.504 1.086 1.00 0.00 C ATOM 0 H LEU A 37 -13.869 -8.852 2.351 1.00 0.00 H new ATOM 0 HA LEU A 37 -15.220 -11.058 3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.522 -9.300 2.315 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.842 -10.307 1.053 1.00 0.00 H new ATOM 0 HG LEU A 37 -16.762 -12.295 2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.895 -11.632 3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.519 -10.768 4.405 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.584 -9.933 3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -18.848 -12.249 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -18.535 -10.550 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.437 -11.829 0.262 1.00 0.00 H new ATOM 583 N CYS A 38 -13.060 -11.061 1.514 1.00 0.00 N ATOM 584 CA CYS A 38 -12.104 -11.959 0.802 1.00 0.00 C ATOM 585 C CYS A 38 -11.242 -12.726 1.809 1.00 0.00 C ATOM 586 O CYS A 38 -11.472 -12.681 3.001 1.00 0.00 O ATOM 587 CB CYS A 38 -11.237 -11.027 -0.043 1.00 0.00 C ATOM 588 SG CYS A 38 -11.994 -10.811 -1.673 1.00 0.00 S ATOM 0 H CYS A 38 -12.931 -10.064 1.340 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.617 -12.703 0.193 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -11.133 -10.062 0.452 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.234 -11.441 -0.148 1.00 0.00 H new ATOM 593 N SER A 39 -10.250 -13.430 1.335 1.00 0.00 N ATOM 594 CA SER A 39 -9.372 -14.203 2.260 1.00 0.00 C ATOM 595 C SER A 39 -8.620 -13.256 3.195 1.00 0.00 C ATOM 596 O SER A 39 -8.672 -13.385 4.402 1.00 0.00 O ATOM 597 CB SER A 39 -8.394 -14.943 1.349 1.00 0.00 C ATOM 598 OG SER A 39 -8.828 -16.287 1.188 1.00 0.00 O ATOM 0 H SER A 39 -10.009 -13.503 0.347 1.00 0.00 H new ATOM 0 HA SER A 39 -9.940 -14.886 2.892 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.337 -14.448 0.379 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.392 -14.921 1.778 1.00 0.00 H new ATOM 0 HG SER A 39 -8.204 -16.764 0.603 1.00 0.00 H new ATOM 604 N LYS A 40 -7.922 -12.306 2.646 1.00 0.00 N ATOM 605 CA LYS A 40 -7.163 -11.349 3.501 1.00 0.00 C ATOM 606 C LYS A 40 -7.261 -9.934 2.928 1.00 0.00 C ATOM 607 O LYS A 40 -6.379 -9.480 2.226 1.00 0.00 O ATOM 608 CB LYS A 40 -5.719 -11.847 3.469 1.00 0.00 C ATOM 609 CG LYS A 40 -5.565 -13.032 4.424 1.00 0.00 C ATOM 610 CD LYS A 40 -4.747 -14.131 3.744 1.00 0.00 C ATOM 611 CE LYS A 40 -5.113 -15.489 4.346 1.00 0.00 C ATOM 612 NZ LYS A 40 -4.153 -16.451 3.738 1.00 0.00 N ATOM 0 H LYS A 40 -7.842 -12.148 1.641 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.553 -11.304 4.518 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.449 -12.145 2.456 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.040 -11.044 3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.072 -12.712 5.342 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.546 -13.415 4.706 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.942 -14.133 2.672 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.682 -13.939 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.024 -15.476 5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.143 -15.759 4.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.341 -17.407 4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.265 -16.447 2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.181 -16.173 3.982 1.00 0.00 H new ATOM 626 N PRO A 41 -8.342 -9.292 3.257 1.00 0.00 N ATOM 627 CA PRO A 41 -8.593 -7.908 2.786 1.00 0.00 C ATOM 628 C PRO A 41 -7.673 -6.919 3.508 1.00 0.00 C ATOM 629 O PRO A 41 -6.709 -7.303 4.140 1.00 0.00 O ATOM 630 CB PRO A 41 -10.049 -7.664 3.158 1.00 0.00 C ATOM 631 CG PRO A 41 -10.311 -8.595 4.294 1.00 0.00 C ATOM 632 CD PRO A 41 -9.429 -9.795 4.095 1.00 0.00 C ATOM 0 HA PRO A 41 -8.401 -7.777 1.721 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.215 -6.627 3.450 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.712 -7.869 2.317 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.094 -8.111 5.246 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.361 -8.888 4.317 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.057 -10.180 5.044 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.965 -10.610 3.609 1.00 0.00 H new ATOM 640 N GLY A 42 -7.965 -5.651 3.421 1.00 0.00 N ATOM 641 CA GLY A 42 -7.109 -4.642 4.106 1.00 0.00 C ATOM 642 C GLY A 42 -6.953 -3.409 3.216 1.00 0.00 C ATOM 643 O GLY A 42 -7.923 -2.827 2.770 1.00 0.00 O ATOM 0 H GLY A 42 -8.759 -5.270 2.906 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.555 -4.360 5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.131 -5.070 4.326 1.00 0.00 H new ATOM 647 N VAL A 43 -5.742 -3.003 2.952 1.00 0.00 N ATOM 648 CA VAL A 43 -5.530 -1.809 2.089 1.00 0.00 C ATOM 649 C VAL A 43 -4.637 -2.160 0.903 1.00 0.00 C ATOM 650 O VAL A 43 -3.621 -2.810 1.046 1.00 0.00 O ATOM 651 CB VAL A 43 -4.848 -0.775 2.990 1.00 0.00 C ATOM 652 CG1 VAL A 43 -3.915 0.107 2.157 1.00 0.00 C ATOM 653 CG2 VAL A 43 -5.912 0.114 3.631 1.00 0.00 C ATOM 0 H VAL A 43 -4.891 -3.447 3.297 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.466 -1.432 1.677 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.275 -1.295 3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.433 0.840 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.155 -0.514 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.492 0.624 1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.431 0.852 4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.477 0.625 2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.588 -0.499 4.226 1.00 0.00 H new ATOM 663 N ILE A 44 -4.999 -1.716 -0.265 1.00 0.00 N ATOM 664 CA ILE A 44 -4.159 -2.002 -1.457 1.00 0.00 C ATOM 665 C ILE A 44 -3.535 -0.697 -1.946 1.00 0.00 C ATOM 666 O ILE A 44 -4.178 0.332 -1.984 1.00 0.00 O ATOM 667 CB ILE A 44 -5.104 -2.608 -2.506 1.00 0.00 C ATOM 668 CG1 ILE A 44 -4.558 -2.335 -3.915 1.00 0.00 C ATOM 669 CG2 ILE A 44 -6.503 -2.004 -2.375 1.00 0.00 C ATOM 670 CD1 ILE A 44 -4.879 -0.897 -4.332 1.00 0.00 C ATOM 0 H ILE A 44 -5.840 -1.168 -0.446 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.343 -2.692 -1.245 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.166 -3.684 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.480 -2.496 -3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.997 -3.035 -4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -7.161 -2.443 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.897 -2.212 -1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.449 -0.926 -2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.488 -0.712 -5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.959 -0.751 -4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.419 -0.203 -3.629 1.00 0.00 H new ATOM 682 N PHE A 45 -2.282 -0.722 -2.299 1.00 0.00 N ATOM 683 CA PHE A 45 -1.622 0.526 -2.757 1.00 0.00 C ATOM 684 C PHE A 45 -1.346 0.465 -4.261 1.00 0.00 C ATOM 685 O PHE A 45 -0.911 -0.542 -4.783 1.00 0.00 O ATOM 686 CB PHE A 45 -0.302 0.567 -1.985 1.00 0.00 C ATOM 687 CG PHE A 45 -0.557 0.923 -0.540 1.00 0.00 C ATOM 688 CD1 PHE A 45 -0.741 2.260 -0.171 1.00 0.00 C ATOM 689 CD2 PHE A 45 -0.606 -0.086 0.433 1.00 0.00 C ATOM 690 CE1 PHE A 45 -0.976 2.589 1.169 1.00 0.00 C ATOM 691 CE2 PHE A 45 -0.841 0.245 1.771 1.00 0.00 C ATOM 692 CZ PHE A 45 -1.026 1.581 2.139 1.00 0.00 C ATOM 0 H PHE A 45 -1.689 -1.552 -2.290 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.240 1.407 -2.582 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.195 -0.401 -2.047 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.369 1.299 -2.435 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.702 3.038 -0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.462 -1.118 0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.119 3.621 1.455 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.880 -0.532 2.520 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.208 1.836 3.173 1.00 0.00 H new ATOM 702 N LEU A 46 -1.582 1.540 -4.957 1.00 0.00 N ATOM 703 CA LEU A 46 -1.319 1.552 -6.421 1.00 0.00 C ATOM 704 C LEU A 46 -0.112 2.444 -6.710 1.00 0.00 C ATOM 705 O LEU A 46 -0.069 3.593 -6.318 1.00 0.00 O ATOM 706 CB LEU A 46 -2.584 2.132 -7.054 1.00 0.00 C ATOM 707 CG LEU A 46 -3.319 1.034 -7.824 1.00 0.00 C ATOM 708 CD1 LEU A 46 -2.326 0.288 -8.715 1.00 0.00 C ATOM 709 CD2 LEU A 46 -3.951 0.054 -6.834 1.00 0.00 C ATOM 0 H LEU A 46 -1.946 2.413 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.096 0.561 -6.816 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.233 2.546 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.325 2.951 -7.725 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.099 1.481 -8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.848 -0.495 -9.265 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.874 0.986 -9.419 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.548 -0.160 -8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.475 -0.729 -7.382 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.172 -0.394 -6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.657 0.586 -6.196 1.00 0.00 H new ATOM 721 N THR A 47 0.873 1.922 -7.383 1.00 0.00 N ATOM 722 CA THR A 47 2.082 2.740 -7.684 1.00 0.00 C ATOM 723 C THR A 47 1.713 3.931 -8.565 1.00 0.00 C ATOM 724 O THR A 47 0.596 4.404 -8.550 1.00 0.00 O ATOM 725 CB THR A 47 3.029 1.797 -8.434 1.00 0.00 C ATOM 726 OG1 THR A 47 2.581 1.647 -9.778 1.00 0.00 O ATOM 727 CG2 THR A 47 3.048 0.432 -7.745 1.00 0.00 C ATOM 0 H THR A 47 0.895 0.966 -7.738 1.00 0.00 H new ATOM 0 HA THR A 47 2.537 3.142 -6.779 1.00 0.00 H new ATOM 0 HB THR A 47 4.035 2.216 -8.430 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.266 1.180 -10.301 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.722 -0.236 -8.280 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.392 0.548 -6.717 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.043 0.010 -7.745 1.00 0.00 H new ATOM 735 N LYS A 48 2.647 4.404 -9.340 1.00 0.00 N ATOM 736 CA LYS A 48 2.366 5.549 -10.249 1.00 0.00 C ATOM 737 C LYS A 48 2.520 5.072 -11.693 1.00 0.00 C ATOM 738 O LYS A 48 2.577 5.852 -12.624 1.00 0.00 O ATOM 739 CB LYS A 48 3.418 6.606 -9.907 1.00 0.00 C ATOM 740 CG LYS A 48 2.879 7.527 -8.809 1.00 0.00 C ATOM 741 CD LYS A 48 3.723 8.802 -8.746 1.00 0.00 C ATOM 742 CE LYS A 48 2.951 9.957 -9.387 1.00 0.00 C ATOM 743 NZ LYS A 48 2.715 10.926 -8.280 1.00 0.00 N ATOM 0 H LYS A 48 3.600 4.044 -9.383 1.00 0.00 H new ATOM 0 HA LYS A 48 1.359 5.951 -10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.337 6.125 -9.574 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.666 7.188 -10.795 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.838 7.778 -9.010 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.903 7.015 -7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.963 9.041 -7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.669 8.650 -9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.523 10.413 -10.195 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.010 9.612 -9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.190 11.747 -8.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.163 10.466 -7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.628 11.242 -7.895 1.00 0.00 H new ATOM 757 N ARG A 49 2.589 3.780 -11.874 1.00 0.00 N ATOM 758 CA ARG A 49 2.743 3.209 -13.239 1.00 0.00 C ATOM 759 C ARG A 49 1.586 2.254 -13.545 1.00 0.00 C ATOM 760 O ARG A 49 0.661 2.591 -14.259 1.00 0.00 O ATOM 761 CB ARG A 49 4.069 2.449 -13.192 1.00 0.00 C ATOM 762 CG ARG A 49 5.208 3.379 -13.619 1.00 0.00 C ATOM 763 CD ARG A 49 6.244 3.470 -12.497 1.00 0.00 C ATOM 764 NE ARG A 49 7.487 3.952 -13.163 1.00 0.00 N ATOM 765 CZ ARG A 49 8.397 3.097 -13.544 1.00 0.00 C ATOM 766 NH1 ARG A 49 9.141 2.496 -12.657 1.00 0.00 N ATOM 767 NH2 ARG A 49 8.565 2.845 -14.813 1.00 0.00 N ATOM 0 H ARG A 49 2.544 3.090 -11.124 1.00 0.00 H new ATOM 0 HA ARG A 49 2.735 3.974 -14.016 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.250 2.074 -12.184 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.027 1.582 -13.852 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.675 3.004 -14.530 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.816 4.370 -13.847 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.921 4.159 -11.716 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.400 2.501 -12.023 1.00 0.00 H new ATOM 0 HE ARG A 49 7.627 4.950 -13.321 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.012 2.694 -11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.852 1.828 -12.956 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.985 3.316 -15.508 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.276 2.177 -15.111 1.00 0.00 H new ATOM 781 N GLY A 50 1.631 1.066 -13.011 1.00 0.00 N ATOM 782 CA GLY A 50 0.536 0.090 -13.270 1.00 0.00 C ATOM 783 C GLY A 50 0.693 -1.121 -12.346 1.00 0.00 C ATOM 784 O GLY A 50 0.314 -2.224 -12.686 1.00 0.00 O ATOM 0 H GLY A 50 2.379 0.728 -12.406 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.432 0.563 -13.104 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.560 -0.230 -14.312 1.00 0.00 H new ATOM 788 N ARG A 51 1.250 -0.925 -11.182 1.00 0.00 N ATOM 789 CA ARG A 51 1.428 -2.070 -10.240 1.00 0.00 C ATOM 790 C ARG A 51 0.604 -1.843 -8.968 1.00 0.00 C ATOM 791 O ARG A 51 0.565 -0.755 -8.429 1.00 0.00 O ATOM 792 CB ARG A 51 2.922 -2.084 -9.911 1.00 0.00 C ATOM 793 CG ARG A 51 3.635 -3.089 -10.816 1.00 0.00 C ATOM 794 CD ARG A 51 4.437 -2.339 -11.880 1.00 0.00 C ATOM 795 NE ARG A 51 4.013 -2.940 -13.174 1.00 0.00 N ATOM 796 CZ ARG A 51 4.730 -3.883 -13.720 1.00 0.00 C ATOM 797 NH1 ARG A 51 4.845 -5.041 -13.130 1.00 0.00 N ATOM 798 NH2 ARG A 51 5.334 -3.667 -14.856 1.00 0.00 N ATOM 0 H ARG A 51 1.589 -0.025 -10.842 1.00 0.00 H new ATOM 0 HA ARG A 51 1.095 -3.014 -10.672 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.345 -1.089 -10.050 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.072 -2.350 -8.865 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.298 -3.721 -10.224 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.907 -3.747 -11.291 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.226 -1.270 -11.853 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.509 -2.456 -11.722 1.00 0.00 H new ATOM 0 HE ARG A 51 3.162 -2.615 -13.633 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.374 -5.209 -12.241 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.406 -5.778 -13.558 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.245 -2.761 -15.317 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.895 -4.404 -15.284 1.00 0.00 H new ATOM 812 N GLN A 52 -0.060 -2.861 -8.489 1.00 0.00 N ATOM 813 CA GLN A 52 -0.883 -2.704 -7.262 1.00 0.00 C ATOM 814 C GLN A 52 -0.241 -3.453 -6.091 1.00 0.00 C ATOM 815 O GLN A 52 0.529 -4.375 -6.277 1.00 0.00 O ATOM 816 CB GLN A 52 -2.231 -3.331 -7.613 1.00 0.00 C ATOM 817 CG GLN A 52 -2.547 -3.100 -9.094 1.00 0.00 C ATOM 818 CD GLN A 52 -2.325 -4.399 -9.870 1.00 0.00 C ATOM 819 OE1 GLN A 52 -1.291 -4.504 -10.660 1.00 0.00 O flip ATOM 820 NE2 GLN A 52 -3.099 -5.328 -9.758 1.00 0.00 N flip ATOM 0 H GLN A 52 -0.066 -3.795 -8.898 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.977 -1.661 -6.960 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.211 -4.400 -7.399 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.016 -2.897 -6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.578 -2.766 -9.209 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.910 -2.311 -9.494 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.907 -5.247 -9.141 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.941 -6.189 -10.281 1.00 0.00 H new ATOM 829 N VAL A 53 -0.554 -3.063 -4.886 1.00 0.00 N ATOM 830 CA VAL A 53 0.028 -3.744 -3.699 1.00 0.00 C ATOM 831 C VAL A 53 -1.044 -3.908 -2.615 1.00 0.00 C ATOM 832 O VAL A 53 -2.070 -3.262 -2.647 1.00 0.00 O ATOM 833 CB VAL A 53 1.140 -2.807 -3.229 1.00 0.00 C ATOM 834 CG1 VAL A 53 1.299 -2.923 -1.716 1.00 0.00 C ATOM 835 CG2 VAL A 53 2.455 -3.197 -3.910 1.00 0.00 C ATOM 0 H VAL A 53 -1.192 -2.296 -4.673 1.00 0.00 H new ATOM 0 HA VAL A 53 0.404 -4.742 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 53 0.884 -1.780 -3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.092 -2.255 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.363 -2.648 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.555 -3.950 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.250 -2.530 -3.576 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.710 -4.224 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.343 -3.115 -4.991 1.00 0.00 H new ATOM 845 N CYS A 54 -0.815 -4.764 -1.657 1.00 0.00 N ATOM 846 CA CYS A 54 -1.823 -4.958 -0.576 1.00 0.00 C ATOM 847 C CYS A 54 -1.127 -5.064 0.780 1.00 0.00 C ATOM 848 O CYS A 54 -0.377 -5.986 1.029 1.00 0.00 O ATOM 849 CB CYS A 54 -2.520 -6.272 -0.916 1.00 0.00 C ATOM 850 SG CYS A 54 -4.214 -6.230 -0.283 1.00 0.00 S ATOM 0 H CYS A 54 0.025 -5.337 -1.576 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.524 -4.126 -0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.526 -6.425 -1.995 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.976 -7.109 -0.478 1.00 0.00 H new ATOM 855 N ALA A 55 -1.366 -4.133 1.661 1.00 0.00 N ATOM 856 CA ALA A 55 -0.709 -4.197 2.995 1.00 0.00 C ATOM 857 C ALA A 55 -1.722 -3.898 4.103 1.00 0.00 C ATOM 858 O ALA A 55 -2.729 -3.254 3.883 1.00 0.00 O ATOM 859 CB ALA A 55 0.377 -3.122 2.948 1.00 0.00 C ATOM 0 H ALA A 55 -1.984 -3.335 1.516 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.297 -5.184 3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.911 -3.103 3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.076 -3.346 2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.081 -2.149 2.770 1.00 0.00 H new ATOM 865 N ASP A 56 -1.460 -4.367 5.292 1.00 0.00 N ATOM 866 CA ASP A 56 -2.403 -4.117 6.419 1.00 0.00 C ATOM 867 C ASP A 56 -2.226 -2.693 6.951 1.00 0.00 C ATOM 868 O ASP A 56 -1.126 -2.182 7.030 1.00 0.00 O ATOM 869 CB ASP A 56 -2.015 -5.142 7.486 1.00 0.00 C ATOM 870 CG ASP A 56 -3.173 -5.324 8.467 1.00 0.00 C ATOM 871 OD1 ASP A 56 -4.269 -4.892 8.146 1.00 0.00 O ATOM 872 OD2 ASP A 56 -2.945 -5.890 9.523 1.00 0.00 O ATOM 0 H ASP A 56 -0.633 -4.913 5.532 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.446 -4.213 6.118 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.769 -6.095 7.017 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.124 -4.809 8.018 1.00 0.00 H new ATOM 877 N LYS A 57 -3.299 -2.047 7.318 1.00 0.00 N ATOM 878 CA LYS A 57 -3.186 -0.656 7.843 1.00 0.00 C ATOM 879 C LYS A 57 -2.504 -0.666 9.213 1.00 0.00 C ATOM 880 O LYS A 57 -2.094 0.359 9.722 1.00 0.00 O ATOM 881 CB LYS A 57 -4.626 -0.153 7.968 1.00 0.00 C ATOM 882 CG LYS A 57 -5.429 -0.577 6.737 1.00 0.00 C ATOM 883 CD LYS A 57 -6.655 0.328 6.592 1.00 0.00 C ATOM 884 CE LYS A 57 -7.383 0.424 7.934 1.00 0.00 C ATOM 885 NZ LYS A 57 -7.920 -0.944 8.180 1.00 0.00 N ATOM 0 H LYS A 57 -4.247 -2.421 7.277 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.590 -0.018 7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.085 -0.557 8.870 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.635 0.933 8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.808 -0.512 5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.741 -1.617 6.833 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.350 1.321 6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.326 -0.070 5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.705 0.731 8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.184 1.162 7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.659 -0.901 8.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.326 -1.321 7.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.151 -1.566 8.501 1.00 0.00 H new ATOM 899 N SER A 58 -2.379 -1.817 9.815 1.00 0.00 N ATOM 900 CA SER A 58 -1.724 -1.895 11.151 1.00 0.00 C ATOM 901 C SER A 58 -0.203 -1.825 10.997 1.00 0.00 C ATOM 902 O SER A 58 0.537 -2.000 11.945 1.00 0.00 O ATOM 903 CB SER A 58 -2.144 -3.249 11.718 1.00 0.00 C ATOM 904 OG SER A 58 -1.232 -4.245 11.275 1.00 0.00 O ATOM 0 H SER A 58 -2.703 -2.708 9.439 1.00 0.00 H new ATOM 0 HA SER A 58 -2.015 -1.072 11.804 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.159 -3.212 12.807 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.155 -3.495 11.393 1.00 0.00 H new ATOM 0 HG SER A 58 -1.689 -4.857 10.661 1.00 0.00 H new ATOM 910 N LYS A 59 0.267 -1.574 9.807 1.00 0.00 N ATOM 911 CA LYS A 59 1.737 -1.495 9.587 1.00 0.00 C ATOM 912 C LYS A 59 2.211 -0.046 9.683 1.00 0.00 C ATOM 913 O LYS A 59 1.779 0.814 8.940 1.00 0.00 O ATOM 914 CB LYS A 59 1.950 -2.037 8.175 1.00 0.00 C ATOM 915 CG LYS A 59 2.357 -3.509 8.248 1.00 0.00 C ATOM 916 CD LYS A 59 3.603 -3.652 9.124 1.00 0.00 C ATOM 917 CE LYS A 59 4.721 -4.315 8.318 1.00 0.00 C ATOM 918 NZ LYS A 59 5.935 -4.188 9.171 1.00 0.00 N ATOM 0 H LYS A 59 -0.305 -1.420 8.976 1.00 0.00 H new ATOM 0 HA LYS A 59 2.298 -2.059 10.332 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.035 -1.930 7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.722 -1.460 7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.541 -4.103 8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.557 -3.892 7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.926 -2.673 9.477 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.373 -4.249 10.006 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.492 -5.360 8.110 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.861 -3.822 7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.747 -4.620 8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.132 -3.182 9.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.775 -4.673 10.077 1.00 0.00 H new ATOM 932 N ASP A 60 3.100 0.226 10.593 1.00 0.00 N ATOM 933 CA ASP A 60 3.614 1.614 10.747 1.00 0.00 C ATOM 934 C ASP A 60 4.030 2.177 9.386 1.00 0.00 C ATOM 935 O ASP A 60 3.673 3.280 9.024 1.00 0.00 O ATOM 936 CB ASP A 60 4.824 1.478 11.668 1.00 0.00 C ATOM 937 CG ASP A 60 4.377 1.624 13.124 1.00 0.00 C ATOM 938 OD1 ASP A 60 3.889 0.650 13.675 1.00 0.00 O ATOM 939 OD2 ASP A 60 4.531 2.707 13.665 1.00 0.00 O ATOM 0 H ASP A 60 3.495 -0.456 11.240 1.00 0.00 H new ATOM 0 HA ASP A 60 2.866 2.295 11.152 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.301 0.509 11.518 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.566 2.239 11.426 1.00 0.00 H new ATOM 944 N TRP A 61 4.783 1.428 8.628 1.00 0.00 N ATOM 945 CA TRP A 61 5.217 1.924 7.292 1.00 0.00 C ATOM 946 C TRP A 61 3.995 2.184 6.410 1.00 0.00 C ATOM 947 O TRP A 61 3.926 3.170 5.699 1.00 0.00 O ATOM 948 CB TRP A 61 6.092 0.809 6.717 1.00 0.00 C ATOM 949 CG TRP A 61 5.248 -0.251 6.084 1.00 0.00 C ATOM 950 CD1 TRP A 61 4.804 -1.361 6.711 1.00 0.00 C ATOM 951 CD2 TRP A 61 4.753 -0.329 4.716 1.00 0.00 C ATOM 952 NE1 TRP A 61 4.075 -2.122 5.814 1.00 0.00 N ATOM 953 CE2 TRP A 61 4.016 -1.527 4.570 1.00 0.00 C ATOM 954 CE3 TRP A 61 4.873 0.512 3.600 1.00 0.00 C ATOM 955 CZ2 TRP A 61 3.422 -1.876 3.356 1.00 0.00 C ATOM 956 CZ3 TRP A 61 4.276 0.163 2.378 1.00 0.00 C ATOM 957 CH2 TRP A 61 3.553 -1.031 2.256 1.00 0.00 C ATOM 0 H TRP A 61 5.116 0.496 8.875 1.00 0.00 H new ATOM 0 HA TRP A 61 5.764 2.865 7.351 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.779 1.223 5.979 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.700 0.372 7.509 1.00 0.00 H new ATOM 0 HD1 TRP A 61 4.988 -1.614 7.745 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.635 -3.013 6.044 1.00 0.00 H new ATOM 0 HE3 TRP A 61 5.429 1.435 3.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 2.864 -2.796 3.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.375 0.819 1.526 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.099 -1.295 1.312 1.00 0.00 H new ATOM 968 N VAL A 62 3.022 1.321 6.464 1.00 0.00 N ATOM 969 CA VAL A 62 1.804 1.534 5.646 1.00 0.00 C ATOM 970 C VAL A 62 1.104 2.816 6.099 1.00 0.00 C ATOM 971 O VAL A 62 0.832 3.696 5.310 1.00 0.00 O ATOM 972 CB VAL A 62 0.936 0.308 5.918 1.00 0.00 C ATOM 973 CG1 VAL A 62 -0.529 0.696 5.815 1.00 0.00 C ATOM 974 CG2 VAL A 62 1.235 -0.773 4.881 1.00 0.00 C ATOM 0 H VAL A 62 3.019 0.479 7.039 1.00 0.00 H new ATOM 0 HA VAL A 62 2.016 1.646 4.583 1.00 0.00 H new ATOM 0 HB VAL A 62 1.152 -0.071 6.917 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.151 -0.178 6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.753 1.471 6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.736 1.074 4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.614 -1.647 5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.018 -0.390 3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.286 -1.054 4.941 1.00 0.00 H new ATOM 984 N LYS A 63 0.821 2.937 7.367 1.00 0.00 N ATOM 985 CA LYS A 63 0.156 4.167 7.856 1.00 0.00 C ATOM 986 C LYS A 63 0.795 5.382 7.189 1.00 0.00 C ATOM 987 O LYS A 63 0.115 6.260 6.695 1.00 0.00 O ATOM 988 CB LYS A 63 0.412 4.165 9.361 1.00 0.00 C ATOM 989 CG LYS A 63 -0.745 4.856 10.072 1.00 0.00 C ATOM 990 CD LYS A 63 -0.275 6.203 10.629 1.00 0.00 C ATOM 991 CE LYS A 63 -1.447 7.187 10.647 1.00 0.00 C ATOM 992 NZ LYS A 63 -2.386 6.646 11.669 1.00 0.00 N ATOM 0 H LYS A 63 1.023 2.237 8.080 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.910 4.204 7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.516 3.142 9.722 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.348 4.678 9.583 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.573 5.006 9.379 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.116 4.226 10.881 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.120 6.074 11.637 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.536 6.598 10.017 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.115 8.192 10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.923 7.253 9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.037 7.397 11.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.932 5.861 11.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.846 6.301 12.488 1.00 0.00 H new ATOM 1006 N LYS A 64 2.098 5.428 7.143 1.00 0.00 N ATOM 1007 CA LYS A 64 2.766 6.574 6.476 1.00 0.00 C ATOM 1008 C LYS A 64 2.269 6.653 5.035 1.00 0.00 C ATOM 1009 O LYS A 64 1.995 7.717 4.516 1.00 0.00 O ATOM 1010 CB LYS A 64 4.261 6.254 6.518 1.00 0.00 C ATOM 1011 CG LYS A 64 4.995 7.082 5.460 1.00 0.00 C ATOM 1012 CD LYS A 64 6.489 7.122 5.791 1.00 0.00 C ATOM 1013 CE LYS A 64 7.028 8.534 5.554 1.00 0.00 C ATOM 1014 NZ LYS A 64 7.857 8.835 6.754 1.00 0.00 N ATOM 0 H LYS A 64 2.723 4.725 7.537 1.00 0.00 H new ATOM 0 HA LYS A 64 2.558 7.530 6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.662 6.473 7.508 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.421 5.191 6.337 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.842 6.648 4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.591 8.094 5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.650 6.829 6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.029 6.407 5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.622 8.582 4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.216 9.253 5.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.262 9.789 6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.263 8.789 7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.625 8.138 6.829 1.00 0.00 H new ATOM 1028 N LEU A 65 2.129 5.525 4.391 1.00 0.00 N ATOM 1029 CA LEU A 65 1.625 5.530 2.991 1.00 0.00 C ATOM 1030 C LEU A 65 0.225 6.141 2.958 1.00 0.00 C ATOM 1031 O LEU A 65 -0.009 7.148 2.328 1.00 0.00 O ATOM 1032 CB LEU A 65 1.559 4.055 2.569 1.00 0.00 C ATOM 1033 CG LEU A 65 2.946 3.521 2.192 1.00 0.00 C ATOM 1034 CD1 LEU A 65 2.783 2.445 1.124 1.00 0.00 C ATOM 1035 CD2 LEU A 65 3.828 4.635 1.630 1.00 0.00 C ATOM 0 H LEU A 65 2.342 4.604 4.774 1.00 0.00 H new ATOM 0 HA LEU A 65 2.265 6.111 2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.147 3.460 3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.883 3.947 1.721 1.00 0.00 H new ATOM 0 HG LEU A 65 3.419 3.116 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.763 2.056 0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.169 1.634 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.301 2.874 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.806 4.229 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.361 5.054 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.947 5.418 2.379 1.00 0.00 H new HETATM 1047 N MSE A 66 -0.710 5.533 3.633 1.00 0.00 N HETATM 1048 CA MSE A 66 -2.099 6.073 3.640 1.00 0.00 C HETATM 1049 C MSE A 66 -2.102 7.534 4.096 1.00 0.00 C HETATM 1050 O MSE A 66 -3.030 8.273 3.832 1.00 0.00 O HETATM 1051 CB MSE A 66 -2.856 5.199 4.640 1.00 0.00 C HETATM 1052 CG MSE A 66 -2.941 3.767 4.104 1.00 0.00 C HETATM 1053 SE MSE A 66 -3.544 2.651 5.730 1.00 0.00 SE HETATM 1054 CE MSE A 66 -4.139 4.224 6.925 1.00 0.00 C HETATM 0 H MSE A 66 -0.572 4.684 4.181 1.00 0.00 H new HETATM 0 HA MSE A 66 -2.554 6.052 2.650 1.00 0.00 H new HETATM 0 HB2 MSE A 66 -2.348 5.208 5.605 1.00 0.00 H new HETATM 0 HB3 MSE A 66 -3.857 5.598 4.803 1.00 0.00 H new HETATM 0 HG2 MSE A 66 -3.654 3.691 3.283 1.00 0.00 H new HETATM 0 HG3 MSE A 66 -1.978 3.427 3.723 1.00 0.00 H new HETATM 0 HE1 MSE A 66 -4.509 3.839 7.876 1.00 0.00 H new HETATM 0 HE2 MSE A 66 -3.291 4.885 7.106 1.00 0.00 H new HETATM 0 HE3 MSE A 66 -4.932 4.780 6.426 1.00 0.00 H new ATOM 1064 N GLN A 67 -1.073 7.957 4.779 1.00 0.00 N ATOM 1065 CA GLN A 67 -1.026 9.371 5.249 1.00 0.00 C ATOM 1066 C GLN A 67 -0.656 10.303 4.092 1.00 0.00 C ATOM 1067 O GLN A 67 -1.219 11.369 3.937 1.00 0.00 O ATOM 1068 CB GLN A 67 0.063 9.392 6.323 1.00 0.00 C ATOM 1069 CG GLN A 67 -0.381 10.285 7.483 1.00 0.00 C ATOM 1070 CD GLN A 67 0.817 11.084 8.001 1.00 0.00 C ATOM 1071 OE1 GLN A 67 1.948 10.660 7.869 1.00 0.00 O ATOM 1072 NE2 GLN A 67 0.614 12.230 8.591 1.00 0.00 N ATOM 0 H GLN A 67 -0.266 7.387 5.031 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.988 9.711 5.634 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.255 8.381 6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.997 9.763 5.901 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.168 10.963 7.153 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.800 9.676 8.285 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.336 12.586 8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.405 12.770 8.942 1.00 0.00 H new ATOM 1081 N GLN A 68 0.291 9.913 3.284 1.00 0.00 N ATOM 1082 CA GLN A 68 0.703 10.780 2.142 1.00 0.00 C ATOM 1083 C GLN A 68 -0.115 10.453 0.889 1.00 0.00 C ATOM 1084 O GLN A 68 -0.302 11.283 0.023 1.00 0.00 O ATOM 1085 CB GLN A 68 2.176 10.443 1.916 1.00 0.00 C ATOM 1086 CG GLN A 68 3.048 11.368 2.766 1.00 0.00 C ATOM 1087 CD GLN A 68 2.775 12.823 2.383 1.00 0.00 C ATOM 1088 OE1 GLN A 68 2.251 13.096 1.321 1.00 0.00 O ATOM 1089 NE2 GLN A 68 3.109 13.776 3.209 1.00 0.00 N ATOM 0 H GLN A 68 0.798 9.032 3.364 1.00 0.00 H new ATOM 0 HA GLN A 68 0.543 11.838 2.351 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.366 9.403 2.180 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.428 10.556 0.862 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.836 11.214 3.824 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.101 11.133 2.614 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.549 13.547 4.100 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.930 14.750 2.963 1.00 0.00 H new ATOM 1098 N LEU A 69 -0.592 9.245 0.786 1.00 0.00 N ATOM 1099 CA LEU A 69 -1.386 8.851 -0.410 1.00 0.00 C ATOM 1100 C LEU A 69 -2.876 9.118 -0.177 1.00 0.00 C ATOM 1101 O LEU A 69 -3.364 8.996 0.929 1.00 0.00 O ATOM 1102 CB LEU A 69 -1.140 7.349 -0.575 1.00 0.00 C ATOM 1103 CG LEU A 69 0.322 7.007 -0.282 1.00 0.00 C ATOM 1104 CD1 LEU A 69 0.414 5.560 0.197 1.00 0.00 C ATOM 1105 CD2 LEU A 69 1.152 7.162 -1.553 1.00 0.00 C ATOM 0 H LEU A 69 -0.466 8.510 1.482 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.095 9.417 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.791 6.792 0.099 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.394 7.043 -1.590 1.00 0.00 H new ATOM 0 HG LEU A 69 0.702 7.680 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.454 5.312 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.178 5.439 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.032 4.895 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.193 6.918 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.771 6.489 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.086 8.191 -1.907 1.00 0.00 H new ATOM 1117 N PRO A 70 -3.547 9.468 -1.238 1.00 0.00 N ATOM 1118 CA PRO A 70 -4.995 9.751 -1.170 1.00 0.00 C ATOM 1119 C PRO A 70 -5.799 8.455 -1.326 1.00 0.00 C ATOM 1120 O PRO A 70 -5.742 7.802 -2.348 1.00 0.00 O ATOM 1121 CB PRO A 70 -5.225 10.673 -2.363 1.00 0.00 C ATOM 1122 CG PRO A 70 -4.124 10.358 -3.337 1.00 0.00 C ATOM 1123 CD PRO A 70 -3.022 9.640 -2.593 1.00 0.00 C ATOM 0 HA PRO A 70 -5.306 10.192 -0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -6.204 10.499 -2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.193 11.720 -2.061 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.502 9.736 -4.149 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -3.743 11.274 -3.788 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -2.792 8.680 -3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.100 10.222 -2.591 1.00 0.00 H new ATOM 1131 N VAL A 71 -6.548 8.078 -0.325 1.00 0.00 N ATOM 1132 CA VAL A 71 -7.352 6.824 -0.430 1.00 0.00 C ATOM 1133 C VAL A 71 -8.228 6.867 -1.684 1.00 0.00 C ATOM 1134 O VAL A 71 -9.365 7.293 -1.645 1.00 0.00 O ATOM 1135 CB VAL A 71 -8.221 6.801 0.825 1.00 0.00 C ATOM 1136 CG1 VAL A 71 -8.908 8.155 0.981 1.00 0.00 C ATOM 1137 CG2 VAL A 71 -9.281 5.706 0.691 1.00 0.00 C ATOM 0 H VAL A 71 -6.639 8.581 0.558 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.724 5.936 -0.506 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.601 6.599 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.531 8.146 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -8.154 8.937 1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -9.530 8.350 0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.902 5.689 1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.905 5.908 -0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.792 4.739 0.570 1.00 0.00 H new ATOM 1147 N THR A 72 -7.704 6.430 -2.795 1.00 0.00 N ATOM 1148 CA THR A 72 -8.498 6.443 -4.057 1.00 0.00 C ATOM 1149 C THR A 72 -9.933 5.983 -3.785 1.00 0.00 C ATOM 1150 O THR A 72 -10.245 5.477 -2.726 1.00 0.00 O ATOM 1151 CB THR A 72 -7.787 5.456 -4.984 1.00 0.00 C ATOM 1152 OG1 THR A 72 -6.411 5.798 -5.072 1.00 0.00 O ATOM 1153 CG2 THR A 72 -8.419 5.513 -6.377 1.00 0.00 C ATOM 0 H THR A 72 -6.757 6.063 -2.884 1.00 0.00 H new ATOM 0 HA THR A 72 -8.561 7.440 -4.493 1.00 0.00 H new ATOM 0 HB THR A 72 -7.886 4.447 -4.584 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.954 5.165 -5.665 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.911 4.809 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.474 5.249 -6.309 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.322 6.521 -6.779 1.00 0.00 H new ATOM 1161 N ALA A 73 -10.808 6.155 -4.737 1.00 0.00 N ATOM 1162 CA ALA A 73 -12.223 5.730 -4.536 1.00 0.00 C ATOM 1163 C ALA A 73 -12.839 6.490 -3.358 1.00 0.00 C ATOM 1164 O ALA A 73 -13.592 5.941 -2.578 1.00 0.00 O ATOM 1165 CB ALA A 73 -12.147 4.234 -4.230 1.00 0.00 C ATOM 0 H ALA A 73 -10.605 6.571 -5.646 1.00 0.00 H new ATOM 0 HA ALA A 73 -12.845 5.936 -5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.152 3.844 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.686 3.714 -5.070 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.548 4.076 -3.333 1.00 0.00 H new ATOM 1171 N ARG A 74 -12.523 7.750 -3.223 1.00 0.00 N ATOM 1172 CA ARG A 74 -13.089 8.543 -2.095 1.00 0.00 C ATOM 1173 C ARG A 74 -14.577 8.813 -2.331 1.00 0.00 C ATOM 1174 CB ARG A 74 -12.301 9.854 -2.098 1.00 0.00 C ATOM 1175 CG ARG A 74 -12.329 10.471 -0.698 1.00 0.00 C ATOM 1176 CD ARG A 74 -12.589 11.976 -0.808 1.00 0.00 C ATOM 1177 NE ARG A 74 -11.625 12.458 -1.836 1.00 0.00 N ATOM 1178 CZ ARG A 74 -10.342 12.328 -1.637 1.00 0.00 C ATOM 1179 NH1 ARG A 74 -9.752 13.028 -0.709 1.00 0.00 N ATOM 1180 NH2 ARG A 74 -9.649 11.497 -2.368 1.00 0.00 N ATOM 0 H ARG A 74 -11.898 8.263 -3.845 1.00 0.00 H new ATOM 0 HA ARG A 74 -13.008 8.020 -1.142 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.271 9.671 -2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -12.731 10.547 -2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.107 10.000 -0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.381 10.291 -0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.618 12.178 -1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.430 12.475 0.148 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.967 12.889 -2.695 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.293 13.677 -0.138 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.749 12.926 -0.554 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.111 10.950 -3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.646 11.395 -2.213 1.00 0.00 H new TER 1194 ARG A 74