USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 828 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 36 ASN : amide:sc= -0.193 K(o=-0.19,f=-0.88) USER MOD Set 1.2: A 78 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 5 SER OG : rot 35:sc= 1.16 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -57:sc= 0.00143 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 26:sc= 0.723 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -131:sc= 0.364 (180deg=-4.17!) USER MOD Single : A 25 THR OG1 : rot -47:sc= 0.567 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.8!) USER MOD Single : A 44 TYR OH : rot -30:sc= 0.841 USER MOD Single : A 46 HIS :FLIP no HD1:sc= -3.2! C(o=-4.8!,f=-3.2!) USER MOD Single : A 54 CYS SG : rot 104:sc= -8.8! USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.47) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0208 USER MOD Single : A 70 ASN :FLIP amide:sc= -7.7! C(o=-9!,f=-7.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 150:sc= -2.15! (180deg=-3.01) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 48:sc= 0.104 USER MOD Single : A 95 SER OG : rot 180:sc= -0.555 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.311 22.278 0.455 1.00 0.00 N ATOM 2 CA GLY A 1 -5.517 21.883 1.836 1.00 0.00 C ATOM 3 C GLY A 1 -6.576 22.719 2.527 1.00 0.00 C ATOM 4 O GLY A 1 -6.322 23.861 2.911 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.578 21.677 0.028 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.200 22.169 -0.074 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.007 23.272 0.420 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.808 20.833 1.871 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.577 21.972 2.380 1.00 0.00 H new ATOM 8 N SER A 2 -7.767 22.151 2.685 1.00 0.00 N ATOM 9 CA SER A 2 -8.870 22.854 3.330 1.00 0.00 C ATOM 10 C SER A 2 -9.366 24.002 2.456 1.00 0.00 C ATOM 11 O SER A 2 -9.701 25.076 2.956 1.00 0.00 O ATOM 12 CB SER A 2 -8.434 23.388 4.695 1.00 0.00 C ATOM 13 OG SER A 2 -9.295 22.927 5.722 1.00 0.00 O ATOM 0 H SER A 2 -7.993 21.206 2.375 1.00 0.00 H new ATOM 0 HA SER A 2 -9.688 22.147 3.470 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.412 23.071 4.903 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.433 24.478 4.679 1.00 0.00 H new ATOM 0 HG SER A 2 -8.994 23.281 6.585 1.00 0.00 H new ATOM 19 N SER A 3 -9.411 23.767 1.149 1.00 0.00 N ATOM 20 CA SER A 3 -9.863 24.782 0.205 1.00 0.00 C ATOM 21 C SER A 3 -9.906 24.223 -1.214 1.00 0.00 C ATOM 22 O SER A 3 -9.504 24.887 -2.168 1.00 0.00 O ATOM 23 CB SER A 3 -8.941 26.002 0.256 1.00 0.00 C ATOM 24 OG SER A 3 -9.598 27.158 -0.236 1.00 0.00 O ATOM 0 H SER A 3 -9.140 22.882 0.719 1.00 0.00 H new ATOM 0 HA SER A 3 -10.871 25.084 0.489 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.616 26.174 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.045 25.810 -0.334 1.00 0.00 H new ATOM 0 HG SER A 3 -9.909 26.993 -1.151 1.00 0.00 H new ATOM 30 N GLY A 4 -10.398 22.994 -1.345 1.00 0.00 N ATOM 31 CA GLY A 4 -10.486 22.365 -2.650 1.00 0.00 C ATOM 32 C GLY A 4 -9.216 21.628 -3.024 1.00 0.00 C ATOM 33 O GLY A 4 -8.119 22.180 -2.932 1.00 0.00 O ATOM 0 H GLY A 4 -10.737 22.423 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.323 21.667 -2.658 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.697 23.125 -3.403 1.00 0.00 H new ATOM 37 N SER A 5 -9.362 20.376 -3.447 1.00 0.00 N ATOM 38 CA SER A 5 -8.217 19.560 -3.831 1.00 0.00 C ATOM 39 C SER A 5 -8.664 18.334 -4.622 1.00 0.00 C ATOM 40 O SER A 5 -9.454 17.523 -4.137 1.00 0.00 O ATOM 41 CB SER A 5 -7.436 19.123 -2.590 1.00 0.00 C ATOM 42 OG SER A 5 -6.501 20.115 -2.201 1.00 0.00 O ATOM 0 H SER A 5 -10.263 19.905 -3.532 1.00 0.00 H new ATOM 0 HA SER A 5 -7.569 20.164 -4.466 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.128 18.929 -1.770 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.915 18.188 -2.795 1.00 0.00 H new ATOM 0 HG SER A 5 -6.874 21.004 -2.378 1.00 0.00 H new ATOM 48 N SER A 6 -8.154 18.206 -5.842 1.00 0.00 N ATOM 49 CA SER A 6 -8.503 17.082 -6.703 1.00 0.00 C ATOM 50 C SER A 6 -7.611 17.048 -7.941 1.00 0.00 C ATOM 51 O SER A 6 -7.174 18.087 -8.433 1.00 0.00 O ATOM 52 CB SER A 6 -9.972 17.169 -7.120 1.00 0.00 C ATOM 53 OG SER A 6 -10.495 15.885 -7.415 1.00 0.00 O ATOM 0 H SER A 6 -7.497 18.867 -6.257 1.00 0.00 H new ATOM 0 HA SER A 6 -8.347 16.162 -6.140 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.554 17.627 -6.320 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.068 17.814 -7.994 1.00 0.00 H new ATOM 0 HG SER A 6 -11.436 15.967 -7.677 1.00 0.00 H new ATOM 59 N GLY A 7 -7.347 15.844 -8.439 1.00 0.00 N ATOM 60 CA GLY A 7 -6.509 15.696 -9.615 1.00 0.00 C ATOM 61 C GLY A 7 -5.178 15.044 -9.300 1.00 0.00 C ATOM 62 O GLY A 7 -5.127 13.874 -8.919 1.00 0.00 O ATOM 0 H GLY A 7 -7.698 14.969 -8.050 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.035 15.099 -10.360 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.334 16.676 -10.058 1.00 0.00 H new ATOM 66 N SER A 8 -4.097 15.801 -9.461 1.00 0.00 N ATOM 67 CA SER A 8 -2.758 15.287 -9.196 1.00 0.00 C ATOM 68 C SER A 8 -1.786 16.427 -8.909 1.00 0.00 C ATOM 69 O SER A 8 -1.025 16.861 -9.774 1.00 0.00 O ATOM 70 CB SER A 8 -2.260 14.465 -10.386 1.00 0.00 C ATOM 71 OG SER A 8 -2.777 13.146 -10.347 1.00 0.00 O ATOM 0 H SER A 8 -4.122 16.772 -9.773 1.00 0.00 H new ATOM 0 HA SER A 8 -2.809 14.646 -8.316 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.558 14.948 -11.316 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.171 14.432 -10.379 1.00 0.00 H new ATOM 0 HG SER A 8 -3.619 13.139 -9.846 1.00 0.00 H new ATOM 77 N PRO A 9 -1.811 16.926 -7.664 1.00 0.00 N ATOM 78 CA PRO A 9 -0.939 18.022 -7.232 1.00 0.00 C ATOM 79 C PRO A 9 0.522 17.597 -7.137 1.00 0.00 C ATOM 80 O PRO A 9 1.424 18.351 -7.504 1.00 0.00 O ATOM 81 CB PRO A 9 -1.482 18.383 -5.847 1.00 0.00 C ATOM 82 CG PRO A 9 -2.137 17.136 -5.361 1.00 0.00 C ATOM 83 CD PRO A 9 -2.693 16.457 -6.582 1.00 0.00 C ATOM 0 HA PRO A 9 -0.948 18.852 -7.938 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.681 18.697 -5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.193 19.208 -5.903 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.421 16.493 -4.849 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.928 17.364 -4.647 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.668 15.372 -6.485 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.731 16.737 -6.760 1.00 0.00 H new ATOM 91 N LEU A 10 0.750 16.384 -6.644 1.00 0.00 N ATOM 92 CA LEU A 10 2.103 15.858 -6.501 1.00 0.00 C ATOM 93 C LEU A 10 2.379 14.777 -7.541 1.00 0.00 C ATOM 94 O LEU A 10 1.464 14.091 -7.997 1.00 0.00 O ATOM 95 CB LEU A 10 2.306 15.292 -5.095 1.00 0.00 C ATOM 96 CG LEU A 10 1.964 16.231 -3.937 1.00 0.00 C ATOM 97 CD1 LEU A 10 1.936 15.469 -2.622 1.00 0.00 C ATOM 98 CD2 LEU A 10 2.961 17.379 -3.870 1.00 0.00 C ATOM 0 H LEU A 10 0.015 15.747 -6.337 1.00 0.00 H new ATOM 0 HA LEU A 10 2.804 16.678 -6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.700 14.391 -4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.348 14.988 -4.994 1.00 0.00 H new ATOM 0 HG LEU A 10 0.972 16.647 -4.112 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.691 16.154 -1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.183 14.683 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.914 15.024 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.703 18.037 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.964 16.981 -3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.931 17.942 -4.803 1.00 0.00 H new ATOM 110 N ASP A 11 3.647 14.630 -7.911 1.00 0.00 N ATOM 111 CA ASP A 11 4.044 13.630 -8.895 1.00 0.00 C ATOM 112 C ASP A 11 4.616 12.392 -8.211 1.00 0.00 C ATOM 113 O ASP A 11 4.842 12.388 -7.001 1.00 0.00 O ATOM 114 CB ASP A 11 5.075 14.216 -9.861 1.00 0.00 C ATOM 115 CG ASP A 11 4.441 14.756 -11.128 1.00 0.00 C ATOM 116 OD1 ASP A 11 3.364 14.255 -11.512 1.00 0.00 O ATOM 117 OD2 ASP A 11 5.021 15.681 -11.733 1.00 0.00 O ATOM 0 H ASP A 11 4.417 15.190 -7.544 1.00 0.00 H new ATOM 0 HA ASP A 11 3.157 13.336 -9.456 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.622 15.016 -9.362 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.802 13.447 -10.122 1.00 0.00 H new ATOM 122 N ARG A 12 4.846 11.343 -8.994 1.00 0.00 N ATOM 123 CA ARG A 12 5.388 10.098 -8.464 1.00 0.00 C ATOM 124 C ARG A 12 6.862 10.258 -8.100 1.00 0.00 C ATOM 125 O ARG A 12 7.542 11.152 -8.605 1.00 0.00 O ATOM 126 CB ARG A 12 5.223 8.969 -9.483 1.00 0.00 C ATOM 127 CG ARG A 12 3.860 8.298 -9.433 1.00 0.00 C ATOM 128 CD ARG A 12 3.942 6.918 -8.800 1.00 0.00 C ATOM 129 NE ARG A 12 2.775 6.100 -9.119 1.00 0.00 N ATOM 130 CZ ARG A 12 2.629 5.442 -10.264 1.00 0.00 C ATOM 131 NH1 ARG A 12 3.572 5.507 -11.194 1.00 0.00 N ATOM 132 NH2 ARG A 12 1.539 4.718 -10.480 1.00 0.00 N ATOM 0 H ARG A 12 4.665 11.331 -9.998 1.00 0.00 H new ATOM 0 HA ARG A 12 4.833 9.846 -7.560 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.386 9.368 -10.484 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.995 8.219 -9.310 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.168 8.920 -8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.458 8.213 -10.442 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.844 6.413 -9.146 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.029 7.020 -7.718 1.00 0.00 H new ATOM 0 HE ARG A 12 2.031 6.030 -8.425 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.412 6.063 -11.031 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.458 5.001 -12.072 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.812 4.666 -9.767 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.428 4.213 -11.359 1.00 0.00 H new ATOM 146 N ASP A 13 7.347 9.387 -7.223 1.00 0.00 N ATOM 147 CA ASP A 13 8.740 9.431 -6.792 1.00 0.00 C ATOM 148 C ASP A 13 9.607 8.529 -7.664 1.00 0.00 C ATOM 149 O ASP A 13 9.143 7.538 -8.229 1.00 0.00 O ATOM 150 CB ASP A 13 8.856 9.010 -5.327 1.00 0.00 C ATOM 151 CG ASP A 13 8.409 10.101 -4.374 1.00 0.00 C ATOM 152 OD1 ASP A 13 9.202 11.033 -4.124 1.00 0.00 O ATOM 153 OD2 ASP A 13 7.266 10.023 -3.878 1.00 0.00 O ATOM 0 H ASP A 13 6.797 8.642 -6.796 1.00 0.00 H new ATOM 0 HA ASP A 13 9.095 10.456 -6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.254 8.117 -5.160 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.890 8.743 -5.110 1.00 0.00 H new ATOM 158 N PRO A 14 10.897 8.878 -7.779 1.00 0.00 N ATOM 159 CA PRO A 14 11.856 8.113 -8.581 1.00 0.00 C ATOM 160 C PRO A 14 12.177 6.757 -7.963 1.00 0.00 C ATOM 161 O PRO A 14 12.513 5.806 -8.669 1.00 0.00 O ATOM 162 CB PRO A 14 13.101 9.004 -8.591 1.00 0.00 C ATOM 163 CG PRO A 14 12.990 9.824 -7.352 1.00 0.00 C ATOM 164 CD PRO A 14 11.519 10.047 -7.134 1.00 0.00 C ATOM 0 HA PRO A 14 11.468 7.888 -9.574 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.014 8.409 -8.591 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.131 9.633 -9.481 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.437 9.309 -6.502 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.516 10.772 -7.463 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.273 10.099 -6.073 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.183 10.981 -7.585 1.00 0.00 H new ATOM 172 N ALA A 15 12.072 6.674 -6.641 1.00 0.00 N ATOM 173 CA ALA A 15 12.348 5.433 -5.928 1.00 0.00 C ATOM 174 C ALA A 15 11.086 4.591 -5.782 1.00 0.00 C ATOM 175 O ALA A 15 10.981 3.764 -4.876 1.00 0.00 O ATOM 176 CB ALA A 15 12.947 5.732 -4.561 1.00 0.00 C ATOM 0 H ALA A 15 11.798 7.452 -6.042 1.00 0.00 H new ATOM 0 HA ALA A 15 13.069 4.860 -6.511 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.148 4.796 -4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.878 6.286 -4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.245 6.328 -3.979 1.00 0.00 H new ATOM 182 N PHE A 16 10.129 4.807 -6.679 1.00 0.00 N ATOM 183 CA PHE A 16 8.872 4.068 -6.649 1.00 0.00 C ATOM 184 C PHE A 16 9.086 2.613 -7.058 1.00 0.00 C ATOM 185 O PHE A 16 9.413 2.323 -8.209 1.00 0.00 O ATOM 186 CB PHE A 16 7.848 4.725 -7.576 1.00 0.00 C ATOM 187 CG PHE A 16 6.734 3.805 -7.986 1.00 0.00 C ATOM 188 CD1 PHE A 16 5.999 3.117 -7.034 1.00 0.00 C ATOM 189 CD2 PHE A 16 6.421 3.628 -9.324 1.00 0.00 C ATOM 190 CE1 PHE A 16 4.974 2.269 -7.409 1.00 0.00 C ATOM 191 CE2 PHE A 16 5.397 2.781 -9.706 1.00 0.00 C ATOM 192 CZ PHE A 16 4.672 2.102 -8.746 1.00 0.00 C ATOM 0 H PHE A 16 10.200 5.488 -7.435 1.00 0.00 H new ATOM 0 HA PHE A 16 8.492 4.087 -5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.424 5.596 -7.077 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.358 5.086 -8.469 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.230 3.245 -5.987 1.00 0.00 H new ATOM 0 HD2 PHE A 16 6.984 4.158 -10.078 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.410 1.737 -6.657 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.165 2.651 -10.753 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.870 1.441 -9.041 1.00 0.00 H new ATOM 202 N ARG A 17 8.901 1.704 -6.107 1.00 0.00 N ATOM 203 CA ARG A 17 9.075 0.280 -6.367 1.00 0.00 C ATOM 204 C ARG A 17 7.749 -0.463 -6.232 1.00 0.00 C ATOM 205 O ARG A 17 6.871 -0.056 -5.471 1.00 0.00 O ATOM 206 CB ARG A 17 10.105 -0.314 -5.404 1.00 0.00 C ATOM 207 CG ARG A 17 11.455 -0.583 -6.046 1.00 0.00 C ATOM 208 CD ARG A 17 11.724 -2.074 -6.174 1.00 0.00 C ATOM 209 NE ARG A 17 12.965 -2.346 -6.895 1.00 0.00 N ATOM 210 CZ ARG A 17 13.110 -2.165 -8.203 1.00 0.00 C ATOM 211 NH1 ARG A 17 12.097 -1.712 -8.929 1.00 0.00 N ATOM 212 NH2 ARG A 17 14.270 -2.435 -8.787 1.00 0.00 N ATOM 0 H ARG A 17 8.631 1.928 -5.149 1.00 0.00 H new ATOM 0 HA ARG A 17 9.435 0.164 -7.389 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.241 0.368 -4.565 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.714 -1.246 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.489 -0.120 -7.032 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.241 -0.120 -5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.777 -2.520 -5.181 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.892 -2.549 -6.693 1.00 0.00 H new ATOM 0 HE ARG A 17 13.764 -2.694 -6.365 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.204 -1.502 -8.483 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.211 -1.574 -9.933 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.052 -2.782 -8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.380 -2.296 -9.791 1.00 0.00 H new ATOM 226 N VAL A 18 7.611 -1.556 -6.977 1.00 0.00 N ATOM 227 CA VAL A 18 6.393 -2.357 -6.941 1.00 0.00 C ATOM 228 C VAL A 18 6.715 -3.841 -6.812 1.00 0.00 C ATOM 229 O VAL A 18 7.473 -4.394 -7.609 1.00 0.00 O ATOM 230 CB VAL A 18 5.538 -2.136 -8.203 1.00 0.00 C ATOM 231 CG1 VAL A 18 4.239 -2.921 -8.112 1.00 0.00 C ATOM 232 CG2 VAL A 18 5.262 -0.654 -8.407 1.00 0.00 C ATOM 0 H VAL A 18 8.328 -1.907 -7.612 1.00 0.00 H new ATOM 0 HA VAL A 18 5.827 -2.034 -6.067 1.00 0.00 H new ATOM 0 HB VAL A 18 6.095 -2.500 -9.066 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.648 -2.752 -9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.462 -3.984 -8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.674 -2.590 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.657 -0.517 -9.303 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.726 -0.262 -7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.206 -0.121 -8.521 1.00 0.00 H new ATOM 242 N ILE A 19 6.134 -4.481 -5.803 1.00 0.00 N ATOM 243 CA ILE A 19 6.358 -5.903 -5.570 1.00 0.00 C ATOM 244 C ILE A 19 5.038 -6.645 -5.392 1.00 0.00 C ATOM 245 O ILE A 19 4.017 -6.047 -5.049 1.00 0.00 O ATOM 246 CB ILE A 19 7.238 -6.138 -4.329 1.00 0.00 C ATOM 247 CG1 ILE A 19 6.664 -5.394 -3.121 1.00 0.00 C ATOM 248 CG2 ILE A 19 8.668 -5.694 -4.601 1.00 0.00 C ATOM 249 CD1 ILE A 19 6.565 -6.248 -1.876 1.00 0.00 C ATOM 0 H ILE A 19 5.505 -4.038 -5.134 1.00 0.00 H new ATOM 0 HA ILE A 19 6.874 -6.290 -6.449 1.00 0.00 H new ATOM 0 HB ILE A 19 7.246 -7.205 -4.105 1.00 0.00 H new ATOM 0 HG12 ILE A 19 7.289 -4.527 -2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.673 -5.018 -3.374 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.278 -5.867 -3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.073 -6.265 -5.437 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.679 -4.632 -4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 19 6.150 -5.656 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 19 5.916 -7.102 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 19 7.558 -6.603 -1.598 1.00 0.00 H new ATOM 261 N THR A 20 5.065 -7.954 -5.625 1.00 0.00 N ATOM 262 CA THR A 20 3.872 -8.779 -5.490 1.00 0.00 C ATOM 263 C THR A 20 3.989 -9.724 -4.299 1.00 0.00 C ATOM 264 O THR A 20 5.045 -10.311 -4.061 1.00 0.00 O ATOM 265 CB THR A 20 3.613 -9.606 -6.763 1.00 0.00 C ATOM 266 OG1 THR A 20 4.618 -9.323 -7.743 1.00 0.00 O ATOM 267 CG2 THR A 20 2.238 -9.299 -7.337 1.00 0.00 C ATOM 0 H THR A 20 5.901 -8.465 -5.908 1.00 0.00 H new ATOM 0 HA THR A 20 3.035 -8.099 -5.331 1.00 0.00 H new ATOM 0 HB THR A 20 3.651 -10.663 -6.498 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.448 -9.854 -8.549 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.078 -9.895 -8.236 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.473 -9.542 -6.599 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.177 -8.240 -7.588 1.00 0.00 H new ATOM 275 N VAL A 21 2.898 -9.869 -3.554 1.00 0.00 N ATOM 276 CA VAL A 21 2.878 -10.745 -2.389 1.00 0.00 C ATOM 277 C VAL A 21 1.896 -11.895 -2.583 1.00 0.00 C ATOM 278 O VAL A 21 0.718 -11.679 -2.871 1.00 0.00 O ATOM 279 CB VAL A 21 2.500 -9.971 -1.112 1.00 0.00 C ATOM 280 CG1 VAL A 21 2.397 -10.918 0.075 1.00 0.00 C ATOM 281 CG2 VAL A 21 3.512 -8.869 -0.838 1.00 0.00 C ATOM 0 H VAL A 21 2.016 -9.391 -3.737 1.00 0.00 H new ATOM 0 HA VAL A 21 3.885 -11.146 -2.277 1.00 0.00 H new ATOM 0 HB VAL A 21 1.525 -9.508 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.129 -10.354 0.968 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.632 -11.668 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.356 -11.411 0.231 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.229 -8.332 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.501 -9.308 -0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.532 -8.176 -1.679 1.00 0.00 H new ATOM 291 N THR A 22 2.387 -13.119 -2.422 1.00 0.00 N ATOM 292 CA THR A 22 1.554 -14.304 -2.579 1.00 0.00 C ATOM 293 C THR A 22 0.250 -14.167 -1.801 1.00 0.00 C ATOM 294 O THR A 22 0.257 -14.025 -0.578 1.00 0.00 O ATOM 295 CB THR A 22 2.288 -15.574 -2.109 1.00 0.00 C ATOM 296 OG1 THR A 22 3.559 -15.675 -2.760 1.00 0.00 O ATOM 297 CG2 THR A 22 1.462 -16.817 -2.404 1.00 0.00 C ATOM 0 H THR A 22 3.359 -13.316 -2.183 1.00 0.00 H new ATOM 0 HA THR A 22 1.332 -14.395 -3.642 1.00 0.00 H new ATOM 0 HB THR A 22 2.437 -15.503 -1.032 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.020 -16.484 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.001 -17.701 -2.063 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.507 -16.751 -1.883 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.286 -16.891 -3.477 1.00 0.00 H new ATOM 305 N LYS A 23 -0.868 -14.210 -2.517 1.00 0.00 N ATOM 306 CA LYS A 23 -2.181 -14.093 -1.894 1.00 0.00 C ATOM 307 C LYS A 23 -2.731 -15.466 -1.521 1.00 0.00 C ATOM 308 O LYS A 23 -3.230 -16.197 -2.375 1.00 0.00 O ATOM 309 CB LYS A 23 -3.154 -13.382 -2.837 1.00 0.00 C ATOM 310 CG LYS A 23 -4.605 -13.472 -2.396 1.00 0.00 C ATOM 311 CD LYS A 23 -5.555 -13.368 -3.578 1.00 0.00 C ATOM 312 CE LYS A 23 -6.099 -11.957 -3.734 1.00 0.00 C ATOM 313 NZ LYS A 23 -6.498 -11.668 -5.139 1.00 0.00 N ATOM 0 H LYS A 23 -0.891 -14.325 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.072 -13.505 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.871 -12.332 -2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.059 -13.811 -3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.771 -14.416 -1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.820 -12.675 -1.684 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.036 -13.662 -4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.382 -14.065 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.959 -11.825 -3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.343 -11.239 -3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.087 -10.760 -5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.151 -12.426 -5.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.535 -11.616 -5.202 1.00 0.00 H new ATOM 327 N GLU A 24 -2.637 -15.807 -0.239 1.00 0.00 N ATOM 328 CA GLU A 24 -3.126 -17.092 0.246 1.00 0.00 C ATOM 329 C GLU A 24 -4.259 -16.900 1.250 1.00 0.00 C ATOM 330 O GLU A 24 -5.337 -17.478 1.107 1.00 0.00 O ATOM 331 CB GLU A 24 -1.988 -17.886 0.891 1.00 0.00 C ATOM 332 CG GLU A 24 -2.414 -19.249 1.410 1.00 0.00 C ATOM 333 CD GLU A 24 -1.377 -20.324 1.146 1.00 0.00 C ATOM 334 OE1 GLU A 24 -0.241 -20.187 1.647 1.00 0.00 O ATOM 335 OE2 GLU A 24 -1.702 -21.300 0.439 1.00 0.00 O ATOM 0 H GLU A 24 -2.227 -15.212 0.481 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.511 -17.650 -0.608 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -1.189 -18.018 0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.574 -17.306 1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.599 -19.184 2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.355 -19.534 0.941 1.00 0.00 H new ATOM 342 N THR A 25 -4.007 -16.082 2.268 1.00 0.00 N ATOM 343 CA THR A 25 -5.004 -15.813 3.296 1.00 0.00 C ATOM 344 C THR A 25 -5.716 -14.490 3.040 1.00 0.00 C ATOM 345 O THR A 25 -6.908 -14.352 3.312 1.00 0.00 O ATOM 346 CB THR A 25 -4.368 -15.778 4.699 1.00 0.00 C ATOM 347 OG1 THR A 25 -3.332 -14.790 4.743 1.00 0.00 O ATOM 348 CG2 THR A 25 -3.794 -17.138 5.067 1.00 0.00 C ATOM 0 H THR A 25 -3.121 -15.595 2.402 1.00 0.00 H new ATOM 0 HA THR A 25 -5.729 -16.626 3.253 1.00 0.00 H new ATOM 0 HB THR A 25 -5.145 -15.522 5.419 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.759 -14.882 3.953 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.350 -17.089 6.061 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.590 -17.883 5.061 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.030 -17.418 4.342 1.00 0.00 H new ATOM 356 N GLY A 26 -4.977 -13.517 2.515 1.00 0.00 N ATOM 357 CA GLY A 26 -5.555 -12.217 2.230 1.00 0.00 C ATOM 358 C GLY A 26 -4.612 -11.078 2.563 1.00 0.00 C ATOM 359 O GLY A 26 -3.602 -11.276 3.239 1.00 0.00 O ATOM 0 H GLY A 26 -3.988 -13.606 2.282 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.824 -12.166 1.175 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.477 -12.100 2.800 1.00 0.00 H new ATOM 363 N LEU A 27 -4.940 -9.882 2.086 1.00 0.00 N ATOM 364 CA LEU A 27 -4.114 -8.706 2.336 1.00 0.00 C ATOM 365 C LEU A 27 -3.678 -8.646 3.796 1.00 0.00 C ATOM 366 O LEU A 27 -2.495 -8.777 4.107 1.00 0.00 O ATOM 367 CB LEU A 27 -4.880 -7.434 1.968 1.00 0.00 C ATOM 368 CG LEU A 27 -4.234 -6.545 0.904 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.887 -6.029 1.386 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.078 -7.307 -0.404 1.00 0.00 C ATOM 0 H LEU A 27 -5.772 -9.701 1.524 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.222 -8.780 1.713 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.873 -7.720 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.017 -6.842 2.873 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.886 -5.689 0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.442 -5.398 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.025 -5.447 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.227 -6.872 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.617 -6.659 -1.150 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.447 -8.181 -0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.058 -7.627 -0.758 1.00 0.00 H new ATOM 382 N GLY A 28 -4.643 -8.450 4.689 1.00 0.00 N ATOM 383 CA GLY A 28 -4.339 -8.379 6.107 1.00 0.00 C ATOM 384 C GLY A 28 -3.257 -7.363 6.417 1.00 0.00 C ATOM 385 O GLY A 28 -2.164 -7.724 6.855 1.00 0.00 O ATOM 0 H GLY A 28 -5.630 -8.339 4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.244 -8.121 6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.022 -9.361 6.457 1.00 0.00 H new ATOM 389 N LEU A 29 -3.561 -6.090 6.189 1.00 0.00 N ATOM 390 CA LEU A 29 -2.605 -5.018 6.446 1.00 0.00 C ATOM 391 C LEU A 29 -3.317 -3.758 6.928 1.00 0.00 C ATOM 392 O LEU A 29 -4.492 -3.544 6.631 1.00 0.00 O ATOM 393 CB LEU A 29 -1.800 -4.712 5.182 1.00 0.00 C ATOM 394 CG LEU A 29 -0.800 -5.783 4.747 1.00 0.00 C ATOM 395 CD1 LEU A 29 -0.160 -5.408 3.419 1.00 0.00 C ATOM 396 CD2 LEU A 29 0.264 -5.985 5.816 1.00 0.00 C ATOM 0 H LEU A 29 -4.461 -5.775 5.827 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.925 -5.351 7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.499 -4.542 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.258 -3.779 5.338 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.337 -6.722 4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.549 -6.182 3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.933 -5.315 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.363 -4.457 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.967 -6.751 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.798 -5.049 5.980 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.210 -6.300 6.746 1.00 0.00 H new ATOM 408 N LYS A 30 -2.596 -2.926 7.671 1.00 0.00 N ATOM 409 CA LYS A 30 -3.156 -1.684 8.192 1.00 0.00 C ATOM 410 C LYS A 30 -2.540 -0.475 7.495 1.00 0.00 C ATOM 411 O LYS A 30 -1.332 -0.431 7.262 1.00 0.00 O ATOM 412 CB LYS A 30 -2.924 -1.589 9.702 1.00 0.00 C ATOM 413 CG LYS A 30 -3.524 -2.745 10.483 1.00 0.00 C ATOM 414 CD LYS A 30 -3.559 -2.452 11.974 1.00 0.00 C ATOM 415 CE LYS A 30 -4.013 -3.666 12.770 1.00 0.00 C ATOM 416 NZ LYS A 30 -4.150 -3.359 14.220 1.00 0.00 N ATOM 0 H LYS A 30 -1.622 -3.089 7.926 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.228 -1.688 7.995 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.852 -1.549 9.895 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.349 -0.654 10.068 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.535 -2.941 10.126 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.942 -3.649 10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.568 -2.146 12.309 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.233 -1.617 12.166 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.969 -4.018 12.382 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.296 -4.476 12.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.461 -4.212 14.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.232 -3.047 14.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.853 -2.603 14.350 1.00 0.00 H new ATOM 430 N ILE A 31 -3.377 0.503 7.168 1.00 0.00 N ATOM 431 CA ILE A 31 -2.913 1.714 6.501 1.00 0.00 C ATOM 432 C ILE A 31 -2.968 2.914 7.439 1.00 0.00 C ATOM 433 O ILE A 31 -3.752 2.939 8.389 1.00 0.00 O ATOM 434 CB ILE A 31 -3.749 2.019 5.244 1.00 0.00 C ATOM 435 CG1 ILE A 31 -5.231 2.133 5.606 1.00 0.00 C ATOM 436 CG2 ILE A 31 -3.537 0.942 4.191 1.00 0.00 C ATOM 437 CD1 ILE A 31 -5.794 3.525 5.418 1.00 0.00 C ATOM 0 H ILE A 31 -4.380 0.481 7.354 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.879 1.535 6.205 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.420 2.973 4.831 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.801 1.434 4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.367 1.832 6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.135 1.173 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.483 0.905 3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.841 -0.025 4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.849 3.531 5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.249 4.226 6.050 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.690 3.822 4.374 1.00 0.00 H new ATOM 449 N LEU A 32 -2.132 3.910 7.166 1.00 0.00 N ATOM 450 CA LEU A 32 -2.087 5.117 7.985 1.00 0.00 C ATOM 451 C LEU A 32 -2.258 6.365 7.125 1.00 0.00 C ATOM 452 O LEU A 32 -2.071 6.324 5.910 1.00 0.00 O ATOM 453 CB LEU A 32 -0.764 5.188 8.750 1.00 0.00 C ATOM 454 CG LEU A 32 -0.841 4.907 10.252 1.00 0.00 C ATOM 455 CD1 LEU A 32 0.528 5.066 10.895 1.00 0.00 C ATOM 456 CD2 LEU A 32 -1.854 5.829 10.915 1.00 0.00 C ATOM 0 H LEU A 32 -1.477 3.906 6.384 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.910 5.074 8.698 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.070 4.476 8.303 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.338 6.181 8.608 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.169 3.877 10.394 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.454 4.862 11.963 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.228 4.365 10.440 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.885 6.085 10.744 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.896 5.615 11.983 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.555 6.866 10.764 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.837 5.667 10.474 1.00 0.00 H new ATOM 468 N GLY A 33 -2.612 7.475 7.766 1.00 0.00 N ATOM 469 CA GLY A 33 -2.800 8.720 7.045 1.00 0.00 C ATOM 470 C GLY A 33 -4.241 8.936 6.627 1.00 0.00 C ATOM 471 O GLY A 33 -5.157 8.361 7.212 1.00 0.00 O ATOM 0 H GLY A 33 -2.772 7.534 8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.478 9.552 7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.164 8.723 6.160 1.00 0.00 H new ATOM 475 N GLY A 34 -4.442 9.770 5.611 1.00 0.00 N ATOM 476 CA GLY A 34 -5.784 10.048 5.134 1.00 0.00 C ATOM 477 C GLY A 34 -6.046 11.532 4.972 1.00 0.00 C ATOM 478 O GLY A 34 -5.905 12.301 5.923 1.00 0.00 O ATOM 0 H GLY A 34 -3.699 10.258 5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.937 9.549 4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.509 9.628 5.832 1.00 0.00 H new ATOM 482 N ILE A 35 -6.428 11.935 3.765 1.00 0.00 N ATOM 483 CA ILE A 35 -6.710 13.337 3.482 1.00 0.00 C ATOM 484 C ILE A 35 -7.402 14.008 4.664 1.00 0.00 C ATOM 485 O ILE A 35 -7.281 15.215 4.863 1.00 0.00 O ATOM 486 CB ILE A 35 -7.592 13.493 2.229 1.00 0.00 C ATOM 487 CG1 ILE A 35 -8.775 12.524 2.288 1.00 0.00 C ATOM 488 CG2 ILE A 35 -6.770 13.257 0.971 1.00 0.00 C ATOM 489 CD1 ILE A 35 -9.591 12.489 1.015 1.00 0.00 C ATOM 0 H ILE A 35 -6.549 11.311 2.967 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.750 13.822 3.303 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.981 14.511 2.200 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.403 11.521 2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.423 12.805 3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.407 13.371 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.957 13.982 0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.356 12.249 0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.412 11.781 1.129 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.993 13.482 0.813 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.957 12.179 0.185 1.00 0.00 H new ATOM 501 N ASN A 36 -8.128 13.215 5.445 1.00 0.00 N ATOM 502 CA ASN A 36 -8.839 13.731 6.609 1.00 0.00 C ATOM 503 C ASN A 36 -8.048 13.474 7.888 1.00 0.00 C ATOM 504 O ASN A 36 -8.096 14.267 8.829 1.00 0.00 O ATOM 505 CB ASN A 36 -10.223 13.088 6.714 1.00 0.00 C ATOM 506 CG ASN A 36 -10.187 11.594 6.458 1.00 0.00 C ATOM 507 OD1 ASN A 36 -9.742 10.819 7.305 1.00 0.00 O ATOM 508 ND2 ASN A 36 -10.657 11.182 5.286 1.00 0.00 N ATOM 0 H ASN A 36 -8.239 12.213 5.293 1.00 0.00 H new ATOM 0 HA ASN A 36 -8.955 14.808 6.485 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -10.633 13.274 7.707 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -10.895 13.560 5.998 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.659 10.188 5.058 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -11.016 11.860 4.614 1.00 0.00 H new ATOM 515 N ARG A 37 -7.321 12.362 7.914 1.00 0.00 N ATOM 516 CA ARG A 37 -6.521 12.001 9.078 1.00 0.00 C ATOM 517 C ARG A 37 -5.354 12.968 9.257 1.00 0.00 C ATOM 518 O ARG A 37 -5.130 13.846 8.426 1.00 0.00 O ATOM 519 CB ARG A 37 -5.994 10.571 8.937 1.00 0.00 C ATOM 520 CG ARG A 37 -7.023 9.506 9.280 1.00 0.00 C ATOM 521 CD ARG A 37 -7.485 9.623 10.724 1.00 0.00 C ATOM 522 NE ARG A 37 -7.931 8.340 11.261 1.00 0.00 N ATOM 523 CZ ARG A 37 -8.636 8.217 12.381 1.00 0.00 C ATOM 524 NH1 ARG A 37 -8.972 9.294 13.078 1.00 0.00 N ATOM 525 NH2 ARG A 37 -9.005 7.016 12.805 1.00 0.00 N ATOM 0 H ARG A 37 -7.269 11.696 7.143 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.160 12.061 9.959 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.653 10.418 7.913 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.126 10.447 9.584 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.881 9.599 8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.595 8.518 9.113 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.669 10.008 11.336 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.299 10.345 10.787 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.688 7.492 10.749 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.689 10.219 12.755 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.513 9.197 13.937 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.748 6.186 12.272 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.546 6.923 13.665 1.00 0.00 H new ATOM 539 N ASN A 38 -4.616 12.800 10.350 1.00 0.00 N ATOM 540 CA ASN A 38 -3.474 13.659 10.639 1.00 0.00 C ATOM 541 C ASN A 38 -2.206 13.119 9.984 1.00 0.00 C ATOM 542 O ASN A 38 -1.327 13.883 9.588 1.00 0.00 O ATOM 543 CB ASN A 38 -3.269 13.778 12.151 1.00 0.00 C ATOM 544 CG ASN A 38 -3.787 15.092 12.703 1.00 0.00 C ATOM 545 OD1 ASN A 38 -3.849 16.096 11.993 1.00 0.00 O ATOM 546 ND2 ASN A 38 -4.162 15.091 13.977 1.00 0.00 N ATOM 0 H ASN A 38 -4.789 12.078 11.049 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.681 14.647 10.228 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.776 12.952 12.650 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.207 13.684 12.379 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -4.519 15.946 14.404 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.093 14.235 14.528 1.00 0.00 H new ATOM 553 N GLU A 39 -2.122 11.797 9.874 1.00 0.00 N ATOM 554 CA GLU A 39 -0.962 11.154 9.266 1.00 0.00 C ATOM 555 C GLU A 39 -0.920 11.416 7.763 1.00 0.00 C ATOM 556 O GLU A 39 0.142 11.371 7.144 1.00 0.00 O ATOM 557 CB GLU A 39 -0.988 9.648 9.532 1.00 0.00 C ATOM 558 CG GLU A 39 -0.015 9.203 10.612 1.00 0.00 C ATOM 559 CD GLU A 39 1.402 9.054 10.095 1.00 0.00 C ATOM 560 OE1 GLU A 39 1.994 10.073 9.682 1.00 0.00 O ATOM 561 OE2 GLU A 39 1.919 7.917 10.102 1.00 0.00 O ATOM 0 H GLU A 39 -2.842 11.151 10.197 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.065 11.579 9.717 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.997 9.356 9.822 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.757 9.120 8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.026 9.927 11.427 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.348 8.252 11.027 1.00 0.00 H new ATOM 568 N GLY A 40 -2.085 11.688 7.183 1.00 0.00 N ATOM 569 CA GLY A 40 -2.160 11.952 5.758 1.00 0.00 C ATOM 570 C GLY A 40 -1.465 13.242 5.370 1.00 0.00 C ATOM 571 O GLY A 40 -0.651 13.783 6.118 1.00 0.00 O ATOM 0 H GLY A 40 -2.978 11.730 7.674 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.709 11.122 5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.206 12.001 5.455 1.00 0.00 H new ATOM 575 N PRO A 41 -1.785 13.754 4.172 1.00 0.00 N ATOM 576 CA PRO A 41 -2.752 13.118 3.273 1.00 0.00 C ATOM 577 C PRO A 41 -2.226 11.814 2.684 1.00 0.00 C ATOM 578 O PRO A 41 -3.001 10.940 2.292 1.00 0.00 O ATOM 579 CB PRO A 41 -2.950 14.162 2.170 1.00 0.00 C ATOM 580 CG PRO A 41 -1.692 14.960 2.174 1.00 0.00 C ATOM 581 CD PRO A 41 -1.227 14.993 3.604 1.00 0.00 C ATOM 0 HA PRO A 41 -3.671 12.845 3.791 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.116 13.689 1.202 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.818 14.790 2.370 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.940 14.506 1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.868 15.968 1.797 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.139 15.012 3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.595 15.876 4.126 1.00 0.00 H new ATOM 589 N LEU A 42 -0.905 11.688 2.623 1.00 0.00 N ATOM 590 CA LEU A 42 -0.274 10.489 2.082 1.00 0.00 C ATOM 591 C LEU A 42 -0.553 9.280 2.969 1.00 0.00 C ATOM 592 O LEU A 42 -0.710 9.410 4.183 1.00 0.00 O ATOM 593 CB LEU A 42 1.235 10.699 1.947 1.00 0.00 C ATOM 594 CG LEU A 42 1.686 11.595 0.792 1.00 0.00 C ATOM 595 CD1 LEU A 42 0.922 11.255 -0.478 1.00 0.00 C ATOM 596 CD2 LEU A 42 1.502 13.062 1.151 1.00 0.00 C ATOM 0 H LEU A 42 -0.250 12.402 2.942 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.698 10.299 1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.607 11.125 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.709 9.724 1.831 1.00 0.00 H new ATOM 0 HG LEU A 42 2.746 11.416 0.612 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.257 11.903 -1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.106 10.215 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.145 11.404 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.828 13.684 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.450 13.256 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.096 13.298 2.034 1.00 0.00 H new ATOM 608 N VAL A 43 -0.611 8.103 2.355 1.00 0.00 N ATOM 609 CA VAL A 43 -0.867 6.869 3.089 1.00 0.00 C ATOM 610 C VAL A 43 0.416 6.068 3.282 1.00 0.00 C ATOM 611 O VAL A 43 1.320 6.112 2.447 1.00 0.00 O ATOM 612 CB VAL A 43 -1.903 5.990 2.365 1.00 0.00 C ATOM 613 CG1 VAL A 43 -2.072 4.660 3.084 1.00 0.00 C ATOM 614 CG2 VAL A 43 -3.234 6.718 2.253 1.00 0.00 C ATOM 0 H VAL A 43 -0.484 7.978 1.351 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.263 7.157 4.063 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.540 5.787 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.808 4.053 2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.117 4.135 3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.412 4.839 4.104 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.954 6.082 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.605 6.953 3.251 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.098 7.641 1.689 1.00 0.00 H new ATOM 624 N TYR A 44 0.489 5.337 4.389 1.00 0.00 N ATOM 625 CA TYR A 44 1.663 4.527 4.694 1.00 0.00 C ATOM 626 C TYR A 44 1.285 3.320 5.546 1.00 0.00 C ATOM 627 O TYR A 44 0.479 3.426 6.471 1.00 0.00 O ATOM 628 CB TYR A 44 2.714 5.368 5.419 1.00 0.00 C ATOM 629 CG TYR A 44 2.434 6.854 5.381 1.00 0.00 C ATOM 630 CD1 TYR A 44 1.671 7.462 6.370 1.00 0.00 C ATOM 631 CD2 TYR A 44 2.933 7.648 4.356 1.00 0.00 C ATOM 632 CE1 TYR A 44 1.412 8.819 6.338 1.00 0.00 C ATOM 633 CE2 TYR A 44 2.680 9.006 4.317 1.00 0.00 C ATOM 634 CZ TYR A 44 1.918 9.586 5.310 1.00 0.00 C ATOM 635 OH TYR A 44 1.663 10.938 5.276 1.00 0.00 O ATOM 0 H TYR A 44 -0.251 5.289 5.090 1.00 0.00 H new ATOM 0 HA TYR A 44 2.080 4.168 3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.772 5.044 6.458 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.690 5.179 4.971 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.274 6.864 7.177 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.529 7.196 3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.816 9.276 7.114 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.076 9.610 3.514 1.00 0.00 H new ATOM 0 HH TYR A 44 0.796 11.118 5.697 1.00 0.00 H new ATOM 645 N ILE A 45 1.873 2.172 5.228 1.00 0.00 N ATOM 646 CA ILE A 45 1.600 0.944 5.964 1.00 0.00 C ATOM 647 C ILE A 45 1.569 1.200 7.467 1.00 0.00 C ATOM 648 O ILE A 45 2.612 1.358 8.103 1.00 0.00 O ATOM 649 CB ILE A 45 2.652 -0.140 5.661 1.00 0.00 C ATOM 650 CG1 ILE A 45 2.711 -0.418 4.158 1.00 0.00 C ATOM 651 CG2 ILE A 45 2.336 -1.414 6.429 1.00 0.00 C ATOM 652 CD1 ILE A 45 3.439 -1.697 3.808 1.00 0.00 C ATOM 0 H ILE A 45 2.542 2.067 4.465 1.00 0.00 H new ATOM 0 HA ILE A 45 0.622 0.591 5.637 1.00 0.00 H new ATOM 0 HB ILE A 45 3.628 0.222 5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.695 -0.469 3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.203 0.418 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.088 -2.170 6.204 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.340 -1.205 7.499 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.353 -1.782 6.135 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.442 -1.830 2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.466 -1.642 4.169 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.935 -2.542 4.276 1.00 0.00 H new ATOM 664 N HIS A 46 0.366 1.238 8.030 1.00 0.00 N ATOM 665 CA HIS A 46 0.198 1.472 9.460 1.00 0.00 C ATOM 666 C HIS A 46 0.990 0.453 10.274 1.00 0.00 C ATOM 667 O HIS A 46 1.773 0.819 11.150 1.00 0.00 O ATOM 668 CB HIS A 46 -1.282 1.406 9.839 1.00 0.00 C ATOM 669 CG HIS A 46 -1.529 1.529 11.311 1.00 0.00 C ATOM 670 ND1 HIS A 46 -0.979 0.873 12.359 1.00 0.00 N flip ATOM 671 CD2 HIS A 46 -2.441 2.412 11.850 1.00 0.00 C flip ATOM 672 CE1 HIS A 46 -1.561 1.367 13.501 1.00 0.00 C flip ATOM 673 NE2 HIS A 46 -2.440 2.295 13.166 1.00 0.00 N flip ATOM 0 H HIS A 46 -0.507 1.110 7.518 1.00 0.00 H new ATOM 0 HA HIS A 46 0.579 2.468 9.687 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.817 2.202 9.321 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.697 0.462 9.487 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.060 3.093 11.284 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.337 1.049 14.508 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.019 2.830 13.813 1.00 0.00 H new ATOM 682 N GLU A 47 0.779 -0.826 9.979 1.00 0.00 N ATOM 683 CA GLU A 47 1.472 -1.896 10.686 1.00 0.00 C ATOM 684 C GLU A 47 1.183 -3.249 10.042 1.00 0.00 C ATOM 685 O GLU A 47 0.057 -3.524 9.628 1.00 0.00 O ATOM 686 CB GLU A 47 1.055 -1.920 12.157 1.00 0.00 C ATOM 687 CG GLU A 47 1.561 -3.137 12.914 1.00 0.00 C ATOM 688 CD GLU A 47 2.948 -2.929 13.491 1.00 0.00 C ATOM 689 OE1 GLU A 47 3.344 -1.759 13.674 1.00 0.00 O ATOM 690 OE2 GLU A 47 3.636 -3.936 13.759 1.00 0.00 O ATOM 0 H GLU A 47 0.134 -1.146 9.256 1.00 0.00 H new ATOM 0 HA GLU A 47 2.543 -1.704 10.623 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.426 -1.019 12.646 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.033 -1.891 12.218 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.867 -3.373 13.721 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.575 -3.997 12.244 1.00 0.00 H new ATOM 697 N VAL A 48 2.209 -4.090 9.960 1.00 0.00 N ATOM 698 CA VAL A 48 2.066 -5.415 9.367 1.00 0.00 C ATOM 699 C VAL A 48 1.453 -6.397 10.358 1.00 0.00 C ATOM 700 O VAL A 48 2.111 -6.833 11.303 1.00 0.00 O ATOM 701 CB VAL A 48 3.423 -5.965 8.889 1.00 0.00 C ATOM 702 CG1 VAL A 48 3.240 -7.301 8.186 1.00 0.00 C ATOM 703 CG2 VAL A 48 4.112 -4.962 7.975 1.00 0.00 C ATOM 0 H VAL A 48 3.148 -3.878 10.297 1.00 0.00 H new ATOM 0 HA VAL A 48 1.403 -5.308 8.509 1.00 0.00 H new ATOM 0 HB VAL A 48 4.058 -6.124 9.760 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.209 -7.674 7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.792 -8.017 8.875 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.587 -7.171 7.323 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.069 -5.367 7.647 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.482 -4.769 7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.278 -4.031 8.517 1.00 0.00 H new ATOM 713 N ILE A 49 0.189 -6.742 10.136 1.00 0.00 N ATOM 714 CA ILE A 49 -0.513 -7.675 11.009 1.00 0.00 C ATOM 715 C ILE A 49 0.127 -9.058 10.963 1.00 0.00 C ATOM 716 O ILE A 49 0.324 -9.644 9.898 1.00 0.00 O ATOM 717 CB ILE A 49 -1.999 -7.796 10.624 1.00 0.00 C ATOM 718 CG1 ILE A 49 -2.683 -6.430 10.706 1.00 0.00 C ATOM 719 CG2 ILE A 49 -2.700 -8.800 11.527 1.00 0.00 C ATOM 720 CD1 ILE A 49 -4.002 -6.369 9.968 1.00 0.00 C ATOM 0 H ILE A 49 -0.370 -6.389 9.359 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.440 -7.277 12.021 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.065 -8.153 9.596 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.850 -6.179 11.753 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.013 -5.672 10.299 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.750 -8.874 11.242 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.226 -9.776 11.423 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.628 -8.470 12.563 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.430 -5.372 10.069 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.839 -6.589 8.913 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.689 -7.103 10.389 1.00 0.00 H new ATOM 732 N PRO A 50 0.458 -9.596 12.146 1.00 0.00 N ATOM 733 CA PRO A 50 1.079 -10.919 12.268 1.00 0.00 C ATOM 734 C PRO A 50 0.115 -12.046 11.915 1.00 0.00 C ATOM 735 O PRO A 50 -0.837 -12.315 12.647 1.00 0.00 O ATOM 736 CB PRO A 50 1.469 -10.992 13.747 1.00 0.00 C ATOM 737 CG PRO A 50 0.528 -10.064 14.433 1.00 0.00 C ATOM 738 CD PRO A 50 0.252 -8.955 13.456 1.00 0.00 C ATOM 0 HA PRO A 50 1.920 -11.040 11.585 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.374 -12.007 14.132 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.505 -10.689 13.899 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.393 -10.577 14.711 1.00 0.00 H new ATOM 0 HG3 PRO A 50 0.965 -9.674 15.352 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.763 -8.571 13.560 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.928 -8.113 13.602 1.00 0.00 H new ATOM 746 N GLY A 51 0.368 -12.704 10.788 1.00 0.00 N ATOM 747 CA GLY A 51 -0.486 -13.795 10.358 1.00 0.00 C ATOM 748 C GLY A 51 -1.186 -13.502 9.045 1.00 0.00 C ATOM 749 O GLY A 51 -2.212 -14.103 8.732 1.00 0.00 O ATOM 0 H GLY A 51 1.150 -12.501 10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.112 -14.700 10.253 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.232 -13.993 11.128 1.00 0.00 H new ATOM 753 N GLY A 52 -0.630 -12.571 8.275 1.00 0.00 N ATOM 754 CA GLY A 52 -1.221 -12.214 6.999 1.00 0.00 C ATOM 755 C GLY A 52 -0.421 -12.736 5.822 1.00 0.00 C ATOM 756 O GLY A 52 0.394 -13.647 5.972 1.00 0.00 O ATOM 0 H GLY A 52 0.219 -12.058 8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.235 -12.610 6.949 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.298 -11.129 6.929 1.00 0.00 H new ATOM 760 N ASP A 53 -0.655 -12.161 4.648 1.00 0.00 N ATOM 761 CA ASP A 53 0.050 -12.574 3.440 1.00 0.00 C ATOM 762 C ASP A 53 1.401 -11.874 3.333 1.00 0.00 C ATOM 763 O ASP A 53 2.443 -12.525 3.246 1.00 0.00 O ATOM 764 CB ASP A 53 -0.795 -12.271 2.202 1.00 0.00 C ATOM 765 CG ASP A 53 -1.836 -13.341 1.936 1.00 0.00 C ATOM 766 OD1 ASP A 53 -1.708 -14.447 2.501 1.00 0.00 O ATOM 767 OD2 ASP A 53 -2.778 -13.073 1.161 1.00 0.00 O ATOM 0 H ASP A 53 -1.328 -11.407 4.507 1.00 0.00 H new ATOM 0 HA ASP A 53 0.222 -13.649 3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.291 -11.309 2.331 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.142 -12.179 1.334 1.00 0.00 H new ATOM 772 N CYS A 54 1.375 -10.546 3.338 1.00 0.00 N ATOM 773 CA CYS A 54 2.598 -9.757 3.239 1.00 0.00 C ATOM 774 C CYS A 54 3.504 -10.006 4.441 1.00 0.00 C ATOM 775 O CYS A 54 4.727 -10.055 4.309 1.00 0.00 O ATOM 776 CB CYS A 54 2.263 -8.269 3.137 1.00 0.00 C ATOM 777 SG CYS A 54 1.544 -7.782 1.551 1.00 0.00 S ATOM 0 H CYS A 54 0.521 -9.993 3.410 1.00 0.00 H new ATOM 0 HA CYS A 54 3.128 -10.065 2.337 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.567 -8.009 3.935 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.171 -7.691 3.305 1.00 0.00 H new ATOM 0 HG CYS A 54 0.264 -7.603 1.692 1.00 0.00 H new ATOM 783 N TYR A 55 2.896 -10.159 5.612 1.00 0.00 N ATOM 784 CA TYR A 55 3.647 -10.398 6.838 1.00 0.00 C ATOM 785 C TYR A 55 4.770 -11.404 6.602 1.00 0.00 C ATOM 786 O TYR A 55 5.917 -11.174 6.986 1.00 0.00 O ATOM 787 CB TYR A 55 2.716 -10.905 7.941 1.00 0.00 C ATOM 788 CG TYR A 55 3.440 -11.311 9.205 1.00 0.00 C ATOM 789 CD1 TYR A 55 3.747 -10.374 10.184 1.00 0.00 C ATOM 790 CD2 TYR A 55 3.816 -12.631 9.420 1.00 0.00 C ATOM 791 CE1 TYR A 55 4.409 -10.741 11.340 1.00 0.00 C ATOM 792 CE2 TYR A 55 4.476 -13.007 10.573 1.00 0.00 C ATOM 793 CZ TYR A 55 4.771 -12.058 11.530 1.00 0.00 C ATOM 794 OH TYR A 55 5.429 -12.428 12.681 1.00 0.00 O ATOM 0 H TYR A 55 1.884 -10.122 5.738 1.00 0.00 H new ATOM 0 HA TYR A 55 4.090 -9.453 7.152 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.993 -10.126 8.181 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.152 -11.759 7.565 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.464 -9.342 10.039 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.588 -13.376 8.672 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.642 -10.000 12.091 1.00 0.00 H new ATOM 0 HE2 TYR A 55 4.760 -14.038 10.725 1.00 0.00 H new ATOM 0 HH TYR A 55 5.611 -13.391 12.659 1.00 0.00 H new ATOM 804 N LYS A 56 4.430 -12.520 5.967 1.00 0.00 N ATOM 805 CA LYS A 56 5.407 -13.563 5.677 1.00 0.00 C ATOM 806 C LYS A 56 6.483 -13.050 4.725 1.00 0.00 C ATOM 807 O LYS A 56 7.673 -13.292 4.930 1.00 0.00 O ATOM 808 CB LYS A 56 4.715 -14.785 5.069 1.00 0.00 C ATOM 809 CG LYS A 56 4.039 -15.675 6.098 1.00 0.00 C ATOM 810 CD LYS A 56 2.561 -15.853 5.797 1.00 0.00 C ATOM 811 CE LYS A 56 1.778 -16.222 7.047 1.00 0.00 C ATOM 812 NZ LYS A 56 1.126 -17.555 6.921 1.00 0.00 N ATOM 0 H LYS A 56 3.485 -12.726 5.643 1.00 0.00 H new ATOM 0 HA LYS A 56 5.882 -13.851 6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.971 -14.449 4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.450 -15.373 4.519 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.528 -16.649 6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.159 -15.241 7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.161 -14.931 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.433 -16.630 5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.448 -16.225 7.907 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.019 -15.463 7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.602 -17.769 7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.468 -17.545 6.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.852 -18.283 6.765 1.00 0.00 H new ATOM 826 N ASP A 57 6.058 -12.340 3.686 1.00 0.00 N ATOM 827 CA ASP A 57 6.986 -11.791 2.704 1.00 0.00 C ATOM 828 C ASP A 57 8.118 -11.034 3.390 1.00 0.00 C ATOM 829 O ASP A 57 9.289 -11.383 3.246 1.00 0.00 O ATOM 830 CB ASP A 57 6.248 -10.863 1.737 1.00 0.00 C ATOM 831 CG ASP A 57 6.875 -10.849 0.357 1.00 0.00 C ATOM 832 OD1 ASP A 57 8.121 -10.868 0.271 1.00 0.00 O ATOM 833 OD2 ASP A 57 6.120 -10.819 -0.638 1.00 0.00 O ATOM 0 H ASP A 57 5.077 -12.131 3.502 1.00 0.00 H new ATOM 0 HA ASP A 57 7.416 -12.621 2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.208 -11.179 1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.244 -9.851 2.141 1.00 0.00 H new ATOM 838 N GLY A 58 7.760 -9.993 4.137 1.00 0.00 N ATOM 839 CA GLY A 58 8.758 -9.202 4.834 1.00 0.00 C ATOM 840 C GLY A 58 9.228 -8.014 4.019 1.00 0.00 C ATOM 841 O GLY A 58 9.557 -6.964 4.572 1.00 0.00 O ATOM 0 H GLY A 58 6.797 -9.684 4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.343 -8.850 5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.613 -9.833 5.077 1.00 0.00 H new ATOM 845 N ARG A 59 9.261 -8.178 2.700 1.00 0.00 N ATOM 846 CA ARG A 59 9.697 -7.110 1.808 1.00 0.00 C ATOM 847 C ARG A 59 9.079 -5.776 2.214 1.00 0.00 C ATOM 848 O ARG A 59 9.721 -4.728 2.123 1.00 0.00 O ATOM 849 CB ARG A 59 9.321 -7.440 0.362 1.00 0.00 C ATOM 850 CG ARG A 59 10.262 -8.432 -0.301 1.00 0.00 C ATOM 851 CD ARG A 59 10.070 -8.460 -1.809 1.00 0.00 C ATOM 852 NE ARG A 59 9.079 -9.452 -2.217 1.00 0.00 N ATOM 853 CZ ARG A 59 8.672 -9.612 -3.471 1.00 0.00 C ATOM 854 NH1 ARG A 59 9.170 -8.851 -4.435 1.00 0.00 N ATOM 855 NH2 ARG A 59 7.766 -10.537 -3.763 1.00 0.00 N ATOM 0 H ARG A 59 8.991 -9.040 2.226 1.00 0.00 H new ATOM 0 HA ARG A 59 10.781 -7.026 1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 59 8.309 -7.843 0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.309 -6.519 -0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.294 -8.167 -0.069 1.00 0.00 H new ATOM 0 HG3 ARG A 59 10.089 -9.428 0.107 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.758 -7.474 -2.153 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.022 -8.680 -2.292 1.00 0.00 H new ATOM 0 HE ARG A 59 8.677 -10.055 -1.499 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.868 -8.140 -4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.856 -8.976 -5.397 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.382 -11.126 -3.024 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.454 -10.659 -4.726 1.00 0.00 H new ATOM 869 N LEU A 60 7.829 -5.821 2.663 1.00 0.00 N ATOM 870 CA LEU A 60 7.123 -4.615 3.083 1.00 0.00 C ATOM 871 C LEU A 60 7.430 -4.284 4.540 1.00 0.00 C ATOM 872 O LEU A 60 8.110 -5.043 5.230 1.00 0.00 O ATOM 873 CB LEU A 60 5.615 -4.792 2.895 1.00 0.00 C ATOM 874 CG LEU A 60 5.119 -4.835 1.449 1.00 0.00 C ATOM 875 CD1 LEU A 60 3.727 -5.443 1.380 1.00 0.00 C ATOM 876 CD2 LEU A 60 5.125 -3.440 0.842 1.00 0.00 C ATOM 0 H LEU A 60 7.284 -6.679 2.746 1.00 0.00 H new ATOM 0 HA LEU A 60 7.466 -3.788 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.314 -5.716 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.107 -3.976 3.408 1.00 0.00 H new ATOM 0 HG LEU A 60 5.796 -5.464 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.391 -5.465 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.754 -6.459 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.037 -4.841 1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.769 -3.489 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.471 -2.788 1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.139 -3.041 0.856 1.00 0.00 H new ATOM 888 N LYS A 61 6.923 -3.146 5.002 1.00 0.00 N ATOM 889 CA LYS A 61 7.140 -2.715 6.378 1.00 0.00 C ATOM 890 C LYS A 61 6.319 -1.468 6.692 1.00 0.00 C ATOM 891 O LYS A 61 5.877 -0.745 5.799 1.00 0.00 O ATOM 892 CB LYS A 61 8.625 -2.435 6.619 1.00 0.00 C ATOM 893 CG LYS A 61 9.305 -3.473 7.495 1.00 0.00 C ATOM 894 CD LYS A 61 10.490 -2.883 8.240 1.00 0.00 C ATOM 895 CE LYS A 61 11.803 -3.486 7.764 1.00 0.00 C ATOM 896 NZ LYS A 61 12.847 -2.445 7.552 1.00 0.00 N ATOM 0 H LYS A 61 6.359 -2.505 4.444 1.00 0.00 H new ATOM 0 HA LYS A 61 6.817 -3.519 7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.138 -2.390 5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.731 -1.454 7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.587 -3.873 8.211 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.640 -4.307 6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.511 -1.803 8.096 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.374 -3.060 9.309 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.157 -4.211 8.497 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.637 -4.029 6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.726 -2.896 7.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.521 -1.767 6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.024 -1.944 8.446 1.00 0.00 H new ATOM 910 N PRO A 62 6.110 -1.208 7.992 1.00 0.00 N ATOM 911 CA PRO A 62 5.343 -0.047 8.454 1.00 0.00 C ATOM 912 C PRO A 62 6.076 1.267 8.208 1.00 0.00 C ATOM 913 O PRO A 62 7.300 1.336 8.314 1.00 0.00 O ATOM 914 CB PRO A 62 5.188 -0.300 9.955 1.00 0.00 C ATOM 915 CG PRO A 62 6.344 -1.168 10.315 1.00 0.00 C ATOM 916 CD PRO A 62 6.608 -2.027 9.110 1.00 0.00 C ATOM 0 HA PRO A 62 4.396 0.053 7.924 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.204 0.634 10.517 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.240 -0.790 10.178 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.219 -0.568 10.566 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.116 -1.780 11.188 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.669 -2.252 9.002 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.084 -2.981 9.174 1.00 0.00 H new ATOM 924 N GLY A 63 5.319 2.309 7.878 1.00 0.00 N ATOM 925 CA GLY A 63 5.915 3.608 7.622 1.00 0.00 C ATOM 926 C GLY A 63 6.161 3.852 6.147 1.00 0.00 C ATOM 927 O GLY A 63 6.322 4.995 5.718 1.00 0.00 O ATOM 0 H GLY A 63 4.304 2.277 7.783 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.261 4.388 8.012 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.859 3.684 8.162 1.00 0.00 H new ATOM 931 N ASP A 64 6.193 2.776 5.368 1.00 0.00 N ATOM 932 CA ASP A 64 6.422 2.879 3.931 1.00 0.00 C ATOM 933 C ASP A 64 5.222 3.511 3.233 1.00 0.00 C ATOM 934 O ASP A 64 4.087 3.068 3.408 1.00 0.00 O ATOM 935 CB ASP A 64 6.704 1.498 3.338 1.00 0.00 C ATOM 936 CG ASP A 64 8.187 1.236 3.160 1.00 0.00 C ATOM 937 OD1 ASP A 64 8.878 2.105 2.588 1.00 0.00 O ATOM 938 OD2 ASP A 64 8.656 0.162 3.591 1.00 0.00 O ATOM 0 H ASP A 64 6.063 1.823 5.707 1.00 0.00 H new ATOM 0 HA ASP A 64 7.290 3.519 3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.278 0.733 3.987 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.204 1.411 2.373 1.00 0.00 H new ATOM 943 N GLN A 65 5.481 4.548 2.443 1.00 0.00 N ATOM 944 CA GLN A 65 4.422 5.241 1.721 1.00 0.00 C ATOM 945 C GLN A 65 3.747 4.310 0.719 1.00 0.00 C ATOM 946 O GLN A 65 4.409 3.512 0.054 1.00 0.00 O ATOM 947 CB GLN A 65 4.985 6.466 0.998 1.00 0.00 C ATOM 948 CG GLN A 65 3.926 7.486 0.614 1.00 0.00 C ATOM 949 CD GLN A 65 4.364 8.381 -0.529 1.00 0.00 C ATOM 950 OE1 GLN A 65 5.528 8.771 -0.616 1.00 0.00 O ATOM 951 NE2 GLN A 65 3.430 8.710 -1.414 1.00 0.00 N ATOM 0 H GLN A 65 6.415 4.926 2.287 1.00 0.00 H new ATOM 0 HA GLN A 65 3.676 5.567 2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.725 6.947 1.638 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.506 6.139 0.098 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.011 6.965 0.332 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.688 8.101 1.482 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.477 8.364 -1.302 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.666 9.309 -2.205 1.00 0.00 H new ATOM 960 N LEU A 66 2.427 4.417 0.615 1.00 0.00 N ATOM 961 CA LEU A 66 1.662 3.585 -0.307 1.00 0.00 C ATOM 962 C LEU A 66 1.382 4.329 -1.609 1.00 0.00 C ATOM 963 O LEU A 66 1.373 5.559 -1.643 1.00 0.00 O ATOM 964 CB LEU A 66 0.345 3.151 0.340 1.00 0.00 C ATOM 965 CG LEU A 66 0.402 1.883 1.192 1.00 0.00 C ATOM 966 CD1 LEU A 66 1.719 1.806 1.948 1.00 0.00 C ATOM 967 CD2 LEU A 66 -0.773 1.837 2.158 1.00 0.00 C ATOM 0 H LEU A 66 1.864 5.072 1.158 1.00 0.00 H new ATOM 0 HA LEU A 66 2.256 2.700 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.017 3.968 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.392 3.002 -0.449 1.00 0.00 H new ATOM 0 HG LEU A 66 0.337 1.020 0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.741 0.897 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.546 1.792 1.238 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.816 2.674 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.717 0.928 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.738 2.706 2.815 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.707 1.844 1.596 1.00 0.00 H new ATOM 979 N VAL A 67 1.151 3.574 -2.678 1.00 0.00 N ATOM 980 CA VAL A 67 0.867 4.161 -3.982 1.00 0.00 C ATOM 981 C VAL A 67 -0.423 3.598 -4.569 1.00 0.00 C ATOM 982 O VAL A 67 -1.137 4.287 -5.298 1.00 0.00 O ATOM 983 CB VAL A 67 2.020 3.913 -4.972 1.00 0.00 C ATOM 984 CG1 VAL A 67 1.643 4.401 -6.363 1.00 0.00 C ATOM 985 CG2 VAL A 67 3.293 4.590 -4.488 1.00 0.00 C ATOM 0 H VAL A 67 1.155 2.554 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 67 0.755 5.234 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 67 2.205 2.840 -5.026 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.470 4.218 -7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.759 3.866 -6.709 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.430 5.469 -6.328 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.097 4.404 -5.200 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.124 5.664 -4.403 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.571 4.188 -3.514 1.00 0.00 H new ATOM 995 N SER A 68 -0.715 2.343 -4.245 1.00 0.00 N ATOM 996 CA SER A 68 -1.918 1.686 -4.743 1.00 0.00 C ATOM 997 C SER A 68 -1.889 0.192 -4.433 1.00 0.00 C ATOM 998 O SER A 68 -0.833 -0.441 -4.474 1.00 0.00 O ATOM 999 CB SER A 68 -2.056 1.902 -6.251 1.00 0.00 C ATOM 1000 OG SER A 68 -0.812 1.727 -6.908 1.00 0.00 O ATOM 0 H SER A 68 -0.136 1.761 -3.640 1.00 0.00 H new ATOM 0 HA SER A 68 -2.778 2.128 -4.240 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.786 1.202 -6.656 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.435 2.906 -6.445 1.00 0.00 H new ATOM 0 HG SER A 68 -0.928 1.869 -7.871 1.00 0.00 H new ATOM 1006 N ILE A 69 -3.055 -0.364 -4.123 1.00 0.00 N ATOM 1007 CA ILE A 69 -3.164 -1.783 -3.807 1.00 0.00 C ATOM 1008 C ILE A 69 -3.924 -2.532 -4.897 1.00 0.00 C ATOM 1009 O ILE A 69 -5.056 -2.184 -5.229 1.00 0.00 O ATOM 1010 CB ILE A 69 -3.871 -2.006 -2.458 1.00 0.00 C ATOM 1011 CG1 ILE A 69 -2.980 -1.537 -1.306 1.00 0.00 C ATOM 1012 CG2 ILE A 69 -4.236 -3.473 -2.287 1.00 0.00 C ATOM 1013 CD1 ILE A 69 -2.125 -2.637 -0.717 1.00 0.00 C ATOM 0 H ILE A 69 -3.937 0.146 -4.084 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.148 -2.172 -3.744 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.789 -1.419 -2.445 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.332 -0.735 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.607 -1.115 -0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.735 -3.614 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.904 -3.778 -3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.331 -4.079 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.520 -2.232 0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.766 -3.429 -0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.472 -3.043 -1.489 1.00 0.00 H new ATOM 1025 N ASN A 70 -3.293 -3.564 -5.448 1.00 0.00 N ATOM 1026 CA ASN A 70 -3.911 -4.363 -6.500 1.00 0.00 C ATOM 1027 C ASN A 70 -3.954 -3.592 -7.816 1.00 0.00 C ATOM 1028 O ASN A 70 -3.329 -3.986 -8.801 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.326 -4.776 -6.091 1.00 0.00 C ATOM 1030 CG ASN A 70 -5.414 -5.167 -4.629 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -4.307 -5.648 -4.077 1.00 0.00 O flip ATOM 1032 ND2 ASN A 70 -6.466 -5.037 -4.003 1.00 0.00 N flip ATOM 0 H ASN A 70 -2.355 -3.866 -5.184 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.306 -5.258 -6.644 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.013 -3.952 -6.286 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.650 -5.614 -6.709 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.293 -4.663 -4.468 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.510 -5.304 -3.019 1.00 0.00 H new ATOM 1039 N LYS A 71 -4.695 -2.490 -7.825 1.00 0.00 N ATOM 1040 CA LYS A 71 -4.820 -1.660 -9.018 1.00 0.00 C ATOM 1041 C LYS A 71 -5.612 -0.391 -8.718 1.00 0.00 C ATOM 1042 O LYS A 71 -6.303 0.139 -9.587 1.00 0.00 O ATOM 1043 CB LYS A 71 -5.501 -2.446 -10.141 1.00 0.00 C ATOM 1044 CG LYS A 71 -6.993 -2.637 -9.931 1.00 0.00 C ATOM 1045 CD LYS A 71 -7.316 -4.054 -9.488 1.00 0.00 C ATOM 1046 CE LYS A 71 -8.802 -4.227 -9.214 1.00 0.00 C ATOM 1047 NZ LYS A 71 -9.148 -3.898 -7.804 1.00 0.00 N ATOM 0 H LYS A 71 -5.219 -2.150 -7.019 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.818 -1.374 -9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.339 -1.928 -11.086 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.027 -3.424 -10.228 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.349 -1.930 -9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.523 -2.414 -10.857 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.003 -4.758 -10.259 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.749 -4.293 -8.589 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.372 -3.586 -9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.094 -5.255 -9.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.169 -4.028 -7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.623 -4.526 -7.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.893 -2.909 -7.606 1.00 0.00 H new ATOM 1061 N GLU A 72 -5.504 0.090 -7.484 1.00 0.00 N ATOM 1062 CA GLU A 72 -6.210 1.297 -7.071 1.00 0.00 C ATOM 1063 C GLU A 72 -5.273 2.502 -7.068 1.00 0.00 C ATOM 1064 O GLU A 72 -4.220 2.484 -7.705 1.00 0.00 O ATOM 1065 CB GLU A 72 -6.820 1.109 -5.680 1.00 0.00 C ATOM 1066 CG GLU A 72 -5.825 1.302 -4.548 1.00 0.00 C ATOM 1067 CD GLU A 72 -6.234 2.408 -3.595 1.00 0.00 C ATOM 1068 OE1 GLU A 72 -6.696 3.465 -4.074 1.00 0.00 O ATOM 1069 OE2 GLU A 72 -6.093 2.216 -2.369 1.00 0.00 O ATOM 0 H GLU A 72 -4.935 -0.337 -6.753 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.010 1.481 -7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.642 1.814 -5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.246 0.108 -5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.725 0.369 -3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.845 1.531 -4.966 1.00 0.00 H new ATOM 1076 N SER A 73 -5.665 3.548 -6.348 1.00 0.00 N ATOM 1077 CA SER A 73 -4.864 4.763 -6.265 1.00 0.00 C ATOM 1078 C SER A 73 -4.936 5.367 -4.866 1.00 0.00 C ATOM 1079 O SER A 73 -5.803 6.192 -4.579 1.00 0.00 O ATOM 1080 CB SER A 73 -5.339 5.784 -7.300 1.00 0.00 C ATOM 1081 OG SER A 73 -4.277 6.627 -7.710 1.00 0.00 O ATOM 0 H SER A 73 -6.533 3.578 -5.813 1.00 0.00 H new ATOM 0 HA SER A 73 -3.827 4.500 -6.475 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.750 5.265 -8.166 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.144 6.386 -6.878 1.00 0.00 H new ATOM 0 HG SER A 73 -4.606 7.269 -8.373 1.00 0.00 H new ATOM 1087 N MET A 74 -4.018 4.950 -4.000 1.00 0.00 N ATOM 1088 CA MET A 74 -3.977 5.450 -2.631 1.00 0.00 C ATOM 1089 C MET A 74 -3.644 6.939 -2.606 1.00 0.00 C ATOM 1090 O MET A 74 -4.040 7.657 -1.688 1.00 0.00 O ATOM 1091 CB MET A 74 -2.946 4.672 -1.812 1.00 0.00 C ATOM 1092 CG MET A 74 -3.362 3.241 -1.513 1.00 0.00 C ATOM 1093 SD MET A 74 -4.246 3.086 0.051 1.00 0.00 S ATOM 1094 CE MET A 74 -4.489 1.313 0.128 1.00 0.00 C ATOM 0 H MET A 74 -3.293 4.268 -4.222 1.00 0.00 H new ATOM 0 HA MET A 74 -4.963 5.308 -2.189 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.999 4.661 -2.351 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.771 5.195 -0.872 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.995 2.874 -2.321 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.476 2.607 -1.489 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.512 0.994 1.170 1.00 0.00 H new ATOM 0 HE2 MET A 74 -5.433 1.054 -0.352 1.00 0.00 H new ATOM 0 HE3 MET A 74 -3.670 0.811 -0.387 1.00 0.00 H new ATOM 1104 N ILE A 75 -2.916 7.395 -3.620 1.00 0.00 N ATOM 1105 CA ILE A 75 -2.532 8.798 -3.714 1.00 0.00 C ATOM 1106 C ILE A 75 -3.737 9.712 -3.522 1.00 0.00 C ATOM 1107 O ILE A 75 -4.719 9.625 -4.258 1.00 0.00 O ATOM 1108 CB ILE A 75 -1.874 9.112 -5.071 1.00 0.00 C ATOM 1109 CG1 ILE A 75 -0.631 8.244 -5.272 1.00 0.00 C ATOM 1110 CG2 ILE A 75 -1.516 10.588 -5.156 1.00 0.00 C ATOM 1111 CD1 ILE A 75 0.475 8.531 -4.280 1.00 0.00 C ATOM 0 H ILE A 75 -2.580 6.813 -4.388 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.810 8.981 -2.918 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.585 8.884 -5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.914 7.194 -5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.251 8.397 -6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.052 10.795 -6.120 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.420 11.188 -5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.819 10.840 -4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.324 7.879 -4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.786 9.571 -4.373 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.112 8.350 -3.268 1.00 0.00 H new ATOM 1123 N GLY A 76 -3.654 10.591 -2.527 1.00 0.00 N ATOM 1124 CA GLY A 76 -4.744 11.510 -2.257 1.00 0.00 C ATOM 1125 C GLY A 76 -6.081 10.806 -2.142 1.00 0.00 C ATOM 1126 O GLY A 76 -7.020 11.116 -2.877 1.00 0.00 O ATOM 0 H GLY A 76 -2.852 10.683 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.540 12.049 -1.332 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.795 12.252 -3.054 1.00 0.00 H new ATOM 1130 N VAL A 77 -6.170 9.854 -1.218 1.00 0.00 N ATOM 1131 CA VAL A 77 -7.402 9.103 -1.010 1.00 0.00 C ATOM 1132 C VAL A 77 -7.873 9.211 0.436 1.00 0.00 C ATOM 1133 O VAL A 77 -7.128 9.653 1.311 1.00 0.00 O ATOM 1134 CB VAL A 77 -7.222 7.617 -1.371 1.00 0.00 C ATOM 1135 CG1 VAL A 77 -6.628 6.851 -0.198 1.00 0.00 C ATOM 1136 CG2 VAL A 77 -8.548 7.008 -1.799 1.00 0.00 C ATOM 0 H VAL A 77 -5.403 9.585 -0.602 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.154 9.539 -1.668 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.529 7.546 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.508 5.803 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.656 7.273 0.057 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.294 6.928 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.402 5.958 -2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.266 7.089 -0.983 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.928 7.540 -2.671 1.00 0.00 H new ATOM 1146 N SER A 78 -9.114 8.802 0.681 1.00 0.00 N ATOM 1147 CA SER A 78 -9.686 8.855 2.021 1.00 0.00 C ATOM 1148 C SER A 78 -9.279 7.629 2.834 1.00 0.00 C ATOM 1149 O SER A 78 -9.292 6.505 2.332 1.00 0.00 O ATOM 1150 CB SER A 78 -11.211 8.947 1.944 1.00 0.00 C ATOM 1151 OG SER A 78 -11.809 8.538 3.162 1.00 0.00 O ATOM 0 H SER A 78 -9.742 8.430 -0.031 1.00 0.00 H new ATOM 0 HA SER A 78 -9.300 9.744 2.519 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.506 9.972 1.717 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.575 8.322 1.129 1.00 0.00 H new ATOM 0 HG SER A 78 -12.784 8.607 3.087 1.00 0.00 H new ATOM 1157 N PHE A 79 -8.919 7.855 4.093 1.00 0.00 N ATOM 1158 CA PHE A 79 -8.507 6.771 4.977 1.00 0.00 C ATOM 1159 C PHE A 79 -9.433 5.567 4.828 1.00 0.00 C ATOM 1160 O PHE A 79 -8.978 4.425 4.778 1.00 0.00 O ATOM 1161 CB PHE A 79 -8.498 7.245 6.431 1.00 0.00 C ATOM 1162 CG PHE A 79 -8.172 6.158 7.415 1.00 0.00 C ATOM 1163 CD1 PHE A 79 -6.908 5.590 7.447 1.00 0.00 C ATOM 1164 CD2 PHE A 79 -9.129 5.703 8.308 1.00 0.00 C ATOM 1165 CE1 PHE A 79 -6.606 4.589 8.350 1.00 0.00 C ATOM 1166 CE2 PHE A 79 -8.833 4.702 9.214 1.00 0.00 C ATOM 1167 CZ PHE A 79 -7.569 4.145 9.235 1.00 0.00 C ATOM 0 H PHE A 79 -8.904 8.779 4.524 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.498 6.469 4.695 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.771 8.050 6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.475 7.663 6.674 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.151 5.934 6.758 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -10.118 6.136 8.296 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.618 4.154 8.364 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.588 4.356 9.904 1.00 0.00 H new ATOM 0 HZ PHE A 79 -7.334 3.363 9.942 1.00 0.00 H new ATOM 1177 N GLU A 80 -10.734 5.833 4.760 1.00 0.00 N ATOM 1178 CA GLU A 80 -11.723 4.772 4.619 1.00 0.00 C ATOM 1179 C GLU A 80 -11.498 3.986 3.331 1.00 0.00 C ATOM 1180 O GLU A 80 -11.469 2.756 3.340 1.00 0.00 O ATOM 1181 CB GLU A 80 -13.137 5.357 4.632 1.00 0.00 C ATOM 1182 CG GLU A 80 -13.422 6.233 5.841 1.00 0.00 C ATOM 1183 CD GLU A 80 -14.905 6.459 6.061 1.00 0.00 C ATOM 1184 OE1 GLU A 80 -15.535 5.634 6.755 1.00 0.00 O ATOM 1185 OE2 GLU A 80 -15.436 7.461 5.538 1.00 0.00 O ATOM 0 H GLU A 80 -11.127 6.774 4.800 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.611 4.092 5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.287 5.943 3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.859 4.541 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.993 5.770 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.927 7.195 5.712 1.00 0.00 H new ATOM 1192 N GLU A 81 -11.341 4.706 2.224 1.00 0.00 N ATOM 1193 CA GLU A 81 -11.121 4.076 0.928 1.00 0.00 C ATOM 1194 C GLU A 81 -9.875 3.195 0.956 1.00 0.00 C ATOM 1195 O GLU A 81 -9.954 1.984 0.758 1.00 0.00 O ATOM 1196 CB GLU A 81 -10.983 5.139 -0.164 1.00 0.00 C ATOM 1197 CG GLU A 81 -12.052 5.049 -1.239 1.00 0.00 C ATOM 1198 CD GLU A 81 -13.430 5.416 -0.724 1.00 0.00 C ATOM 1199 OE1 GLU A 81 -13.624 6.582 -0.323 1.00 0.00 O ATOM 1200 OE2 GLU A 81 -14.316 4.535 -0.721 1.00 0.00 O ATOM 0 H GLU A 81 -11.362 5.725 2.199 1.00 0.00 H new ATOM 0 HA GLU A 81 -11.984 3.448 0.707 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.024 6.127 0.295 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.002 5.044 -0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.789 5.711 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.076 4.035 -1.638 1.00 0.00 H new ATOM 1207 N ALA A 82 -8.725 3.815 1.203 1.00 0.00 N ATOM 1208 CA ALA A 82 -7.463 3.088 1.259 1.00 0.00 C ATOM 1209 C ALA A 82 -7.630 1.751 1.972 1.00 0.00 C ATOM 1210 O ALA A 82 -7.125 0.725 1.516 1.00 0.00 O ATOM 1211 CB ALA A 82 -6.400 3.929 1.951 1.00 0.00 C ATOM 0 H ALA A 82 -8.642 4.818 1.367 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.143 2.886 0.237 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.463 3.374 1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.252 4.856 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.723 4.160 2.966 1.00 0.00 H new ATOM 1217 N LYS A 83 -8.340 1.770 3.095 1.00 0.00 N ATOM 1218 CA LYS A 83 -8.575 0.559 3.873 1.00 0.00 C ATOM 1219 C LYS A 83 -9.685 -0.281 3.250 1.00 0.00 C ATOM 1220 O LYS A 83 -9.724 -1.500 3.420 1.00 0.00 O ATOM 1221 CB LYS A 83 -8.940 0.917 5.315 1.00 0.00 C ATOM 1222 CG LYS A 83 -7.904 0.472 6.333 1.00 0.00 C ATOM 1223 CD LYS A 83 -8.558 -0.062 7.597 1.00 0.00 C ATOM 1224 CE LYS A 83 -7.553 -0.779 8.484 1.00 0.00 C ATOM 1225 NZ LYS A 83 -7.833 -2.239 8.573 1.00 0.00 N ATOM 0 H LYS A 83 -8.763 2.611 3.487 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.656 -0.027 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.071 1.996 5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.899 0.461 5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.271 -0.300 5.896 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.256 1.311 6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.010 0.761 8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.363 -0.747 7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.548 -0.625 8.091 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.575 -0.344 9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.126 -2.691 9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.782 -2.387 8.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.787 -2.660 7.623 1.00 0.00 H new ATOM 1239 N SER A 84 -10.585 0.378 2.527 1.00 0.00 N ATOM 1240 CA SER A 84 -11.697 -0.309 1.881 1.00 0.00 C ATOM 1241 C SER A 84 -11.206 -1.161 0.715 1.00 0.00 C ATOM 1242 O SER A 84 -11.520 -2.348 0.625 1.00 0.00 O ATOM 1243 CB SER A 84 -12.731 0.705 1.386 1.00 0.00 C ATOM 1244 OG SER A 84 -13.876 0.052 0.865 1.00 0.00 O ATOM 0 H SER A 84 -10.566 1.386 2.374 1.00 0.00 H new ATOM 0 HA SER A 84 -12.163 -0.965 2.616 1.00 0.00 H new ATOM 0 HB2 SER A 84 -13.024 1.361 2.206 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.287 1.336 0.616 1.00 0.00 H new ATOM 0 HG SER A 84 -14.522 0.721 0.557 1.00 0.00 H new ATOM 1250 N ILE A 85 -10.433 -0.547 -0.174 1.00 0.00 N ATOM 1251 CA ILE A 85 -9.897 -1.249 -1.334 1.00 0.00 C ATOM 1252 C ILE A 85 -9.273 -2.581 -0.930 1.00 0.00 C ATOM 1253 O ILE A 85 -9.428 -3.586 -1.623 1.00 0.00 O ATOM 1254 CB ILE A 85 -8.841 -0.401 -2.067 1.00 0.00 C ATOM 1255 CG1 ILE A 85 -9.506 0.782 -2.773 1.00 0.00 C ATOM 1256 CG2 ILE A 85 -8.074 -1.257 -3.064 1.00 0.00 C ATOM 1257 CD1 ILE A 85 -8.938 2.124 -2.368 1.00 0.00 C ATOM 0 H ILE A 85 -10.164 0.435 -0.113 1.00 0.00 H new ATOM 0 HA ILE A 85 -10.735 -1.432 -2.007 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.135 -0.012 -1.333 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -9.396 0.660 -3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.575 0.769 -2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.331 -0.644 -3.574 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.574 -2.069 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.767 -1.672 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.457 2.916 -2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.072 2.267 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.875 2.157 -2.608 1.00 0.00 H new ATOM 1269 N ILE A 86 -8.568 -2.580 0.197 1.00 0.00 N ATOM 1270 CA ILE A 86 -7.922 -3.788 0.694 1.00 0.00 C ATOM 1271 C ILE A 86 -8.948 -4.879 0.986 1.00 0.00 C ATOM 1272 O ILE A 86 -8.997 -5.900 0.299 1.00 0.00 O ATOM 1273 CB ILE A 86 -7.111 -3.507 1.973 1.00 0.00 C ATOM 1274 CG1 ILE A 86 -5.896 -2.634 1.650 1.00 0.00 C ATOM 1275 CG2 ILE A 86 -6.675 -4.813 2.621 1.00 0.00 C ATOM 1276 CD1 ILE A 86 -5.248 -2.026 2.874 1.00 0.00 C ATOM 0 H ILE A 86 -8.430 -1.756 0.782 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.244 -4.129 -0.089 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.745 -2.969 2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.158 -3.235 1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.202 -1.834 0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.103 -4.598 3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -7.555 -5.402 2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.055 -5.376 1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -4.394 -1.420 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.971 -1.399 3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.911 -2.820 3.540 1.00 0.00 H new ATOM 1288 N THR A 87 -9.768 -4.655 2.008 1.00 0.00 N ATOM 1289 CA THR A 87 -10.793 -5.617 2.391 1.00 0.00 C ATOM 1290 C THR A 87 -11.661 -5.999 1.197 1.00 0.00 C ATOM 1291 O THR A 87 -11.908 -7.180 0.950 1.00 0.00 O ATOM 1292 CB THR A 87 -11.694 -5.063 3.510 1.00 0.00 C ATOM 1293 OG1 THR A 87 -12.682 -6.035 3.870 1.00 0.00 O ATOM 1294 CG2 THR A 87 -12.378 -3.778 3.067 1.00 0.00 C ATOM 0 H THR A 87 -9.742 -3.815 2.586 1.00 0.00 H new ATOM 0 HA THR A 87 -10.274 -6.502 2.758 1.00 0.00 H new ATOM 0 HB THR A 87 -11.068 -4.844 4.375 1.00 0.00 H new ATOM 0 HG1 THR A 87 -13.250 -5.676 4.583 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.009 -3.405 3.874 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.624 -3.030 2.821 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.992 -3.977 2.188 1.00 0.00 H new ATOM 1302 N ARG A 88 -12.120 -4.994 0.459 1.00 0.00 N ATOM 1303 CA ARG A 88 -12.961 -5.226 -0.709 1.00 0.00 C ATOM 1304 C ARG A 88 -12.154 -5.847 -1.845 1.00 0.00 C ATOM 1305 O ARG A 88 -12.718 -6.364 -2.809 1.00 0.00 O ATOM 1306 CB ARG A 88 -13.594 -3.914 -1.176 1.00 0.00 C ATOM 1307 CG ARG A 88 -12.586 -2.902 -1.696 1.00 0.00 C ATOM 1308 CD ARG A 88 -12.762 -2.655 -3.186 1.00 0.00 C ATOM 1309 NE ARG A 88 -13.038 -1.252 -3.480 1.00 0.00 N ATOM 1310 CZ ARG A 88 -14.199 -0.661 -3.218 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -15.185 -1.348 -2.659 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -14.374 0.621 -3.514 1.00 0.00 N ATOM 0 H ARG A 88 -11.924 -4.011 0.649 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.751 -5.922 -0.425 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -14.318 -4.129 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.146 -3.471 -0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -12.699 -1.963 -1.155 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -11.575 -3.261 -1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.860 -2.965 -3.714 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.579 -3.271 -3.561 1.00 0.00 H new ATOM 0 HE ARG A 88 -12.300 -0.695 -3.910 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.054 -2.333 -2.429 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.075 -0.892 -2.459 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.617 1.153 -3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -15.265 1.074 -3.313 1.00 0.00 H new ATOM 1326 N ALA A 89 -10.832 -5.791 -1.725 1.00 0.00 N ATOM 1327 CA ALA A 89 -9.948 -6.349 -2.741 1.00 0.00 C ATOM 1328 C ALA A 89 -10.419 -7.731 -3.179 1.00 0.00 C ATOM 1329 O ALA A 89 -11.350 -8.293 -2.602 1.00 0.00 O ATOM 1330 CB ALA A 89 -8.520 -6.417 -2.218 1.00 0.00 C ATOM 0 H ALA A 89 -10.349 -5.365 -0.934 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.974 -5.693 -3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.871 -6.836 -2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.179 -5.414 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.487 -7.050 -1.331 1.00 0.00 H new ATOM 1336 N LYS A 90 -9.772 -8.274 -4.205 1.00 0.00 N ATOM 1337 CA LYS A 90 -10.124 -9.591 -4.722 1.00 0.00 C ATOM 1338 C LYS A 90 -9.605 -10.692 -3.803 1.00 0.00 C ATOM 1339 O LYS A 90 -9.012 -11.670 -4.263 1.00 0.00 O ATOM 1340 CB LYS A 90 -9.556 -9.777 -6.131 1.00 0.00 C ATOM 1341 CG LYS A 90 -10.417 -9.161 -7.220 1.00 0.00 C ATOM 1342 CD LYS A 90 -10.563 -10.095 -8.410 1.00 0.00 C ATOM 1343 CE LYS A 90 -11.784 -9.746 -9.246 1.00 0.00 C ATOM 1344 NZ LYS A 90 -11.928 -10.648 -10.422 1.00 0.00 N ATOM 0 H LYS A 90 -9.000 -7.822 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.211 -9.659 -4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -8.560 -9.336 -6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.441 -10.843 -6.330 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.402 -8.927 -6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.974 -8.220 -7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -9.668 -10.039 -9.030 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.643 -11.124 -8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.679 -9.811 -8.627 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.707 -8.714 -9.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.772 -10.377 -10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -11.086 -10.567 -11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.027 -11.631 -10.096 1.00 0.00 H new ATOM 1358 N LEU A 91 -9.832 -10.529 -2.505 1.00 0.00 N ATOM 1359 CA LEU A 91 -9.388 -11.511 -1.521 1.00 0.00 C ATOM 1360 C LEU A 91 -9.644 -12.931 -2.016 1.00 0.00 C ATOM 1361 O LEU A 91 -10.512 -13.158 -2.859 1.00 0.00 O ATOM 1362 CB LEU A 91 -10.104 -11.286 -0.188 1.00 0.00 C ATOM 1363 CG LEU A 91 -9.361 -10.428 0.836 1.00 0.00 C ATOM 1364 CD1 LEU A 91 -8.188 -11.196 1.426 1.00 0.00 C ATOM 1365 CD2 LEU A 91 -8.885 -9.130 0.199 1.00 0.00 C ATOM 0 H LEU A 91 -10.321 -9.726 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 91 -8.315 -11.384 -1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -11.069 -10.821 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.307 -12.258 0.261 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.050 -10.182 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.671 -10.569 2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.554 -12.097 1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.497 -11.473 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.358 -8.532 0.942 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.212 -9.356 -0.628 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.744 -8.572 -0.174 1.00 0.00 H new ATOM 1377 N ARG A 92 -8.884 -13.883 -1.484 1.00 0.00 N ATOM 1378 CA ARG A 92 -9.030 -15.282 -1.871 1.00 0.00 C ATOM 1379 C ARG A 92 -9.076 -15.424 -3.389 1.00 0.00 C ATOM 1380 O ARG A 92 -10.134 -15.290 -4.004 1.00 0.00 O ATOM 1381 CB ARG A 92 -10.298 -15.874 -1.254 1.00 0.00 C ATOM 1382 CG ARG A 92 -10.026 -16.832 -0.105 1.00 0.00 C ATOM 1383 CD ARG A 92 -10.849 -18.104 -0.234 1.00 0.00 C ATOM 1384 NE ARG A 92 -10.476 -19.102 0.765 1.00 0.00 N ATOM 1385 CZ ARG A 92 -11.160 -20.220 0.978 1.00 0.00 C ATOM 1386 NH1 ARG A 92 -12.246 -20.483 0.265 1.00 0.00 N ATOM 1387 NH2 ARG A 92 -10.757 -21.079 1.906 1.00 0.00 N ATOM 0 H ARG A 92 -8.162 -13.712 -0.785 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.164 -15.828 -1.498 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.931 -15.062 -0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.858 -16.398 -2.028 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.966 -17.084 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.257 -16.342 0.841 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.907 -17.863 -0.128 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.715 -18.522 -1.232 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.644 -18.931 1.330 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -12.558 -19.826 -0.450 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.769 -21.343 0.431 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -9.921 -20.881 2.456 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.283 -21.938 2.069 1.00 0.00 H new ATOM 1401 N SER A 93 -7.921 -15.696 -3.989 1.00 0.00 N ATOM 1402 CA SER A 93 -7.829 -15.852 -5.435 1.00 0.00 C ATOM 1403 C SER A 93 -6.511 -16.513 -5.827 1.00 0.00 C ATOM 1404 O SER A 93 -5.743 -16.947 -4.969 1.00 0.00 O ATOM 1405 CB SER A 93 -7.955 -14.492 -6.126 1.00 0.00 C ATOM 1406 OG SER A 93 -9.222 -14.350 -6.745 1.00 0.00 O ATOM 0 H SER A 93 -7.036 -15.813 -3.495 1.00 0.00 H new ATOM 0 HA SER A 93 -8.649 -16.493 -5.759 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.812 -13.695 -5.396 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.168 -14.386 -6.873 1.00 0.00 H new ATOM 0 HG SER A 93 -9.925 -14.609 -6.114 1.00 0.00 H new ATOM 1412 N GLU A 94 -6.257 -16.585 -7.130 1.00 0.00 N ATOM 1413 CA GLU A 94 -5.032 -17.194 -7.637 1.00 0.00 C ATOM 1414 C GLU A 94 -3.913 -16.162 -7.739 1.00 0.00 C ATOM 1415 O GLU A 94 -2.789 -16.404 -7.301 1.00 0.00 O ATOM 1416 CB GLU A 94 -5.281 -17.831 -9.006 1.00 0.00 C ATOM 1417 CG GLU A 94 -4.582 -19.167 -9.192 1.00 0.00 C ATOM 1418 CD GLU A 94 -5.555 -20.326 -9.289 1.00 0.00 C ATOM 1419 OE1 GLU A 94 -6.469 -20.265 -10.138 1.00 0.00 O ATOM 1420 OE2 GLU A 94 -5.403 -21.294 -8.515 1.00 0.00 O ATOM 0 H GLU A 94 -6.882 -16.230 -7.853 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.724 -17.969 -6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.353 -17.969 -9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.946 -17.144 -9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.974 -19.132 -10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.903 -19.337 -8.357 1.00 0.00 H new ATOM 1427 N SER A 95 -4.231 -15.010 -8.322 1.00 0.00 N ATOM 1428 CA SER A 95 -3.252 -13.942 -8.487 1.00 0.00 C ATOM 1429 C SER A 95 -2.827 -13.381 -7.133 1.00 0.00 C ATOM 1430 O SER A 95 -3.624 -13.268 -6.201 1.00 0.00 O ATOM 1431 CB SER A 95 -3.828 -12.823 -9.357 1.00 0.00 C ATOM 1432 OG SER A 95 -2.963 -11.701 -9.384 1.00 0.00 O ATOM 0 H SER A 95 -5.158 -14.793 -8.688 1.00 0.00 H new ATOM 0 HA SER A 95 -2.374 -14.360 -8.980 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.984 -13.190 -10.371 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.803 -12.525 -8.973 1.00 0.00 H new ATOM 0 HG SER A 95 -3.353 -11.001 -9.948 1.00 0.00 H new ATOM 1438 N PRO A 96 -1.540 -13.020 -7.021 1.00 0.00 N ATOM 1439 CA PRO A 96 -0.978 -12.464 -5.786 1.00 0.00 C ATOM 1440 C PRO A 96 -1.498 -11.061 -5.493 1.00 0.00 C ATOM 1441 O PRO A 96 -2.504 -10.632 -6.058 1.00 0.00 O ATOM 1442 CB PRO A 96 0.526 -12.429 -6.065 1.00 0.00 C ATOM 1443 CG PRO A 96 0.635 -12.352 -7.549 1.00 0.00 C ATOM 1444 CD PRO A 96 -0.534 -13.127 -8.091 1.00 0.00 C ATOM 0 HA PRO A 96 -1.250 -13.056 -4.912 1.00 0.00 H new ATOM 0 HB2 PRO A 96 0.997 -11.569 -5.588 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.021 -13.319 -5.677 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.608 -11.317 -7.889 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.578 -12.776 -7.894 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.897 -12.704 -9.028 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.270 -14.165 -8.292 1.00 0.00 H new ATOM 1452 N TRP A 97 -0.807 -10.352 -4.608 1.00 0.00 N ATOM 1453 CA TRP A 97 -1.200 -8.997 -4.241 1.00 0.00 C ATOM 1454 C TRP A 97 -0.275 -7.969 -4.883 1.00 0.00 C ATOM 1455 O TRP A 97 0.939 -8.005 -4.684 1.00 0.00 O ATOM 1456 CB TRP A 97 -1.186 -8.834 -2.720 1.00 0.00 C ATOM 1457 CG TRP A 97 -2.274 -9.601 -2.030 1.00 0.00 C ATOM 1458 CD1 TRP A 97 -2.117 -10.611 -1.124 1.00 0.00 C ATOM 1459 CD2 TRP A 97 -3.685 -9.421 -2.193 1.00 0.00 C ATOM 1460 NE1 TRP A 97 -3.345 -11.070 -0.714 1.00 0.00 N ATOM 1461 CE2 TRP A 97 -4.323 -10.356 -1.354 1.00 0.00 C ATOM 1462 CE3 TRP A 97 -4.471 -8.561 -2.964 1.00 0.00 C ATOM 1463 CZ2 TRP A 97 -5.709 -10.453 -1.268 1.00 0.00 C ATOM 1464 CZ3 TRP A 97 -5.847 -8.658 -2.877 1.00 0.00 C ATOM 1465 CH2 TRP A 97 -6.455 -9.598 -2.033 1.00 0.00 C ATOM 0 H TRP A 97 0.028 -10.693 -4.131 1.00 0.00 H new ATOM 0 HA TRP A 97 -2.212 -8.827 -4.608 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -0.220 -9.162 -2.336 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -1.285 -7.777 -2.474 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -1.167 -10.993 -0.780 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.503 -11.821 -0.042 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.012 -7.833 -3.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.179 -11.178 -0.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -6.464 -7.999 -3.469 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -7.533 -9.648 -1.986 1.00 0.00 H new ATOM 1476 N GLU A 98 -0.856 -7.054 -5.652 1.00 0.00 N ATOM 1477 CA GLU A 98 -0.082 -6.017 -6.323 1.00 0.00 C ATOM 1478 C GLU A 98 0.226 -4.865 -5.371 1.00 0.00 C ATOM 1479 O GLU A 98 -0.597 -3.971 -5.175 1.00 0.00 O ATOM 1480 CB GLU A 98 -0.839 -5.494 -7.546 1.00 0.00 C ATOM 1481 CG GLU A 98 0.046 -5.270 -8.760 1.00 0.00 C ATOM 1482 CD GLU A 98 -0.208 -6.281 -9.861 1.00 0.00 C ATOM 1483 OE1 GLU A 98 -1.388 -6.510 -10.198 1.00 0.00 O ATOM 1484 OE2 GLU A 98 0.775 -6.844 -10.387 1.00 0.00 O ATOM 0 H GLU A 98 -1.860 -7.010 -5.826 1.00 0.00 H new ATOM 0 HA GLU A 98 0.860 -6.458 -6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -1.626 -6.202 -7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.329 -4.556 -7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.123 -4.266 -9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.092 -5.323 -8.457 1.00 0.00 H new ATOM 1491 N ILE A 99 1.416 -4.896 -4.780 1.00 0.00 N ATOM 1492 CA ILE A 99 1.833 -3.855 -3.849 1.00 0.00 C ATOM 1493 C ILE A 99 2.697 -2.809 -4.544 1.00 0.00 C ATOM 1494 O ILE A 99 3.663 -3.143 -5.230 1.00 0.00 O ATOM 1495 CB ILE A 99 2.615 -4.444 -2.660 1.00 0.00 C ATOM 1496 CG1 ILE A 99 1.971 -5.751 -2.194 1.00 0.00 C ATOM 1497 CG2 ILE A 99 2.677 -3.441 -1.518 1.00 0.00 C ATOM 1498 CD1 ILE A 99 0.518 -5.602 -1.802 1.00 0.00 C ATOM 0 H ILE A 99 2.108 -5.630 -4.929 1.00 0.00 H new ATOM 0 HA ILE A 99 0.924 -3.382 -3.477 1.00 0.00 H new ATOM 0 HB ILE A 99 3.633 -4.659 -2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.050 -6.490 -2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 99 2.531 -6.139 -1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.233 -3.872 -0.685 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.177 -2.534 -1.857 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.666 -3.198 -1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.127 -6.568 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.433 -4.887 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.055 -5.244 -2.657 1.00 0.00 H new ATOM 1510 N ALA A 100 2.345 -1.541 -4.360 1.00 0.00 N ATOM 1511 CA ALA A 100 3.091 -0.445 -4.967 1.00 0.00 C ATOM 1512 C ALA A 100 3.476 0.600 -3.925 1.00 0.00 C ATOM 1513 O ALA A 100 2.617 1.297 -3.383 1.00 0.00 O ATOM 1514 CB ALA A 100 2.276 0.194 -6.082 1.00 0.00 C ATOM 0 H ALA A 100 1.548 -1.247 -3.796 1.00 0.00 H new ATOM 0 HA ALA A 100 4.009 -0.853 -5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.845 1.011 -6.526 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.056 -0.552 -6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.343 0.582 -5.674 1.00 0.00 H new ATOM 1520 N PHE A 101 4.771 0.703 -3.648 1.00 0.00 N ATOM 1521 CA PHE A 101 5.270 1.662 -2.669 1.00 0.00 C ATOM 1522 C PHE A 101 6.601 2.257 -3.120 1.00 0.00 C ATOM 1523 O PHE A 101 7.073 1.984 -4.224 1.00 0.00 O ATOM 1524 CB PHE A 101 5.434 0.991 -1.304 1.00 0.00 C ATOM 1525 CG PHE A 101 6.619 0.071 -1.228 1.00 0.00 C ATOM 1526 CD1 PHE A 101 6.746 -0.992 -2.107 1.00 0.00 C ATOM 1527 CD2 PHE A 101 7.606 0.269 -0.276 1.00 0.00 C ATOM 1528 CE1 PHE A 101 7.835 -1.840 -2.039 1.00 0.00 C ATOM 1529 CE2 PHE A 101 8.698 -0.575 -0.204 1.00 0.00 C ATOM 1530 CZ PHE A 101 8.812 -1.632 -1.086 1.00 0.00 C ATOM 0 H PHE A 101 5.495 0.134 -4.088 1.00 0.00 H new ATOM 0 HA PHE A 101 4.542 2.469 -2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.532 1.761 -0.539 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.530 0.427 -1.074 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.985 -1.160 -2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 101 7.521 1.092 0.418 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.922 -2.665 -2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 101 9.462 -0.408 0.541 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.663 -2.294 -1.030 1.00 0.00 H new ATOM 1540 N ILE A 102 7.200 3.072 -2.258 1.00 0.00 N ATOM 1541 CA ILE A 102 8.476 3.705 -2.566 1.00 0.00 C ATOM 1542 C ILE A 102 9.592 3.148 -1.689 1.00 0.00 C ATOM 1543 O ILE A 102 9.515 3.199 -0.461 1.00 0.00 O ATOM 1544 CB ILE A 102 8.406 5.233 -2.380 1.00 0.00 C ATOM 1545 CG1 ILE A 102 7.350 5.833 -3.311 1.00 0.00 C ATOM 1546 CG2 ILE A 102 9.767 5.860 -2.639 1.00 0.00 C ATOM 1547 CD1 ILE A 102 5.980 5.942 -2.680 1.00 0.00 C ATOM 0 H ILE A 102 6.822 3.309 -1.341 1.00 0.00 H new ATOM 0 HA ILE A 102 8.694 3.484 -3.611 1.00 0.00 H new ATOM 0 HB ILE A 102 8.119 5.447 -1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.676 6.824 -3.626 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.279 5.220 -4.210 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.702 6.940 -2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.496 5.450 -1.940 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.080 5.640 -3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.283 6.375 -3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.633 4.950 -2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.036 6.579 -1.797 1.00 0.00 H new ATOM 1559 N ARG A 103 10.630 2.618 -2.327 1.00 0.00 N ATOM 1560 CA ARG A 103 11.763 2.052 -1.605 1.00 0.00 C ATOM 1561 C ARG A 103 13.026 2.874 -1.846 1.00 0.00 C ATOM 1562 O ARG A 103 13.520 2.957 -2.970 1.00 0.00 O ATOM 1563 CB ARG A 103 11.996 0.603 -2.034 1.00 0.00 C ATOM 1564 CG ARG A 103 13.150 -0.069 -1.309 1.00 0.00 C ATOM 1565 CD ARG A 103 12.831 -0.292 0.161 1.00 0.00 C ATOM 1566 NE ARG A 103 13.722 0.466 1.035 1.00 0.00 N ATOM 1567 CZ ARG A 103 13.845 0.235 2.338 1.00 0.00 C ATOM 1568 NH1 ARG A 103 13.137 -0.727 2.913 1.00 0.00 N ATOM 1569 NH2 ARG A 103 14.677 0.967 3.067 1.00 0.00 N ATOM 0 H ARG A 103 10.710 2.569 -3.343 1.00 0.00 H new ATOM 0 HA ARG A 103 11.532 2.076 -0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.085 0.030 -1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.188 0.577 -3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.372 -1.025 -1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 103 14.045 0.546 -1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.799 -0.002 0.356 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.913 -1.354 0.393 1.00 0.00 H new ATOM 0 HE ARG A 103 14.280 1.214 0.623 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.496 -1.292 2.355 1.00 0.00 H new ATOM 0 HH12 ARG A 103 13.233 -0.903 3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.223 1.708 2.628 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.771 0.789 4.067 1.00 0.00 H new ATOM 1583 N SER A 104 13.544 3.480 -0.782 1.00 0.00 N ATOM 1584 CA SER A 104 14.746 4.299 -0.878 1.00 0.00 C ATOM 1585 C SER A 104 15.970 3.526 -0.396 1.00 0.00 C ATOM 1586 O SER A 104 16.345 3.602 0.773 1.00 0.00 O ATOM 1587 CB SER A 104 14.583 5.580 -0.058 1.00 0.00 C ATOM 1588 OG SER A 104 14.229 6.674 -0.887 1.00 0.00 O ATOM 0 H SER A 104 13.149 3.419 0.157 1.00 0.00 H new ATOM 0 HA SER A 104 14.893 4.563 -1.925 1.00 0.00 H new ATOM 0 HB2 SER A 104 13.817 5.433 0.703 1.00 0.00 H new ATOM 0 HB3 SER A 104 15.513 5.802 0.465 1.00 0.00 H new ATOM 0 HG SER A 104 14.129 7.481 -0.339 1.00 0.00 H new ATOM 1594 N GLY A 105 16.588 2.780 -1.307 1.00 0.00 N ATOM 1595 CA GLY A 105 17.763 2.003 -0.957 1.00 0.00 C ATOM 1596 C GLY A 105 18.929 2.264 -1.889 1.00 0.00 C ATOM 1597 O GLY A 105 18.982 3.280 -2.583 1.00 0.00 O ATOM 0 H GLY A 105 16.296 2.700 -2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 105 18.059 2.238 0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.514 0.942 -0.980 1.00 0.00 H new ATOM 1601 N PRO A 106 19.894 1.333 -1.910 1.00 0.00 N ATOM 1602 CA PRO A 106 21.084 1.445 -2.759 1.00 0.00 C ATOM 1603 C PRO A 106 20.758 1.283 -4.239 1.00 0.00 C ATOM 1604 O PRO A 106 19.599 1.107 -4.614 1.00 0.00 O ATOM 1605 CB PRO A 106 21.973 0.296 -2.278 1.00 0.00 C ATOM 1606 CG PRO A 106 21.026 -0.700 -1.702 1.00 0.00 C ATOM 1607 CD PRO A 106 19.897 0.097 -1.109 1.00 0.00 C ATOM 0 HA PRO A 106 21.551 2.426 -2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 106 22.546 -0.132 -3.100 1.00 0.00 H new ATOM 0 HB3 PRO A 106 22.691 0.637 -1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 106 20.661 -1.381 -2.471 1.00 0.00 H new ATOM 0 HG3 PRO A 106 21.515 -1.309 -0.942 1.00 0.00 H new ATOM 0 HD2 PRO A 106 18.948 -0.433 -1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 106 20.063 0.304 -0.052 1.00 0.00 H new ATOM 1615 N SER A 107 21.788 1.343 -5.077 1.00 0.00 N ATOM 1616 CA SER A 107 21.611 1.206 -6.518 1.00 0.00 C ATOM 1617 C SER A 107 20.610 2.231 -7.042 1.00 0.00 C ATOM 1618 O SER A 107 19.402 2.087 -6.857 1.00 0.00 O ATOM 1619 CB SER A 107 21.137 -0.208 -6.863 1.00 0.00 C ATOM 1620 OG SER A 107 22.220 -1.122 -6.866 1.00 0.00 O ATOM 0 H SER A 107 22.754 1.486 -4.783 1.00 0.00 H new ATOM 0 HA SER A 107 22.574 1.386 -6.996 1.00 0.00 H new ATOM 0 HB2 SER A 107 20.387 -0.530 -6.140 1.00 0.00 H new ATOM 0 HB3 SER A 107 20.656 -0.205 -7.841 1.00 0.00 H new ATOM 0 HG SER A 107 21.891 -2.018 -7.087 1.00 0.00 H new ATOM 1626 N SER A 108 21.122 3.268 -7.698 1.00 0.00 N ATOM 1627 CA SER A 108 20.275 4.321 -8.245 1.00 0.00 C ATOM 1628 C SER A 108 20.786 4.775 -9.609 1.00 0.00 C ATOM 1629 O SER A 108 21.954 5.131 -9.760 1.00 0.00 O ATOM 1630 CB SER A 108 20.220 5.511 -7.286 1.00 0.00 C ATOM 1631 OG SER A 108 19.563 5.165 -6.080 1.00 0.00 O ATOM 0 H SER A 108 22.120 3.401 -7.863 1.00 0.00 H new ATOM 0 HA SER A 108 19.270 3.917 -8.369 1.00 0.00 H new ATOM 0 HB2 SER A 108 21.232 5.853 -7.067 1.00 0.00 H new ATOM 0 HB3 SER A 108 19.699 6.342 -7.762 1.00 0.00 H new ATOM 0 HG SER A 108 19.543 5.943 -5.484 1.00 0.00 H new ATOM 1637 N GLY A 109 19.901 4.758 -10.602 1.00 0.00 N ATOM 1638 CA GLY A 109 20.281 5.170 -11.941 1.00 0.00 C ATOM 1639 C GLY A 109 19.083 5.527 -12.799 1.00 0.00 C ATOM 1640 O GLY A 109 19.232 5.877 -13.969 1.00 0.00 O ATOM 0 H GLY A 109 18.929 4.466 -10.503 1.00 0.00 H new ATOM 0 HA2 GLY A 109 20.948 6.030 -11.878 1.00 0.00 H new ATOM 0 HA3 GLY A 109 20.841 4.367 -12.420 1.00 0.00 H new TER 1644 GLY A 109