USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 752 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 98 LYS NZ :NH3+ 170:sc= 2.37 (180deg=0.764) USER MOD Set 1.2: A 100 THR OG1 : rot 180:sc= 1.03 USER MOD Set 2.1: A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 97 TYR OH : rot 180:sc= 0.0127 USER MOD Set 3.1: A 18 SER OG : rot -170:sc= 1.06 USER MOD Set 3.2: A 25 TYR OH : rot 43:sc= 1.14 USER MOD Set 3.3: A 48 HIS : no HE2:sc= 1.73 K(o=4.9,f=-6.7!) USER MOD Set 3.4: A 82 THR OG1 : rot 150:sc= 0.972 USER MOD Set 4.1: A 77 SER OG : rot 82:sc= 0.685 USER MOD Set 4.2: A 79 MET CE :methyl 173:sc= -0.544 (180deg=-0.572) USER MOD Set 5.1: A 61 LYS NZ :NH3+ -167:sc= 1.21 (180deg=0) USER MOD Set 5.2: A 74 GLN : amide:sc= 0.952 K(o=2.2,f=-7.5!) USER MOD Set 6.1: A 59 SER OG : rot -51:sc= 0.926 USER MOD Set 6.2: A 115 SER OG : rot 164:sc= 1.17 USER MOD Set 7.1: A 41 LYS NZ :NH3+ -162:sc= 2.27 (180deg=1.14) USER MOD Set 7.2: A 44 ASN : amide:sc= 0.405 K(o=2.7,f=-12!) USER MOD Set 8.1: A 34 LYS NZ :NH3+ 169:sc= 1.2 (180deg=-0.0423) USER MOD Set 8.2: A 37 GLN : amide:sc= 1.04 K(o=2.2,f=-9.7!) USER MOD Set 9.1: A 22 SER OG : rot 152:sc= 1.45 USER MOD Set 9.2: A 24 ASN : amide:sc= 0.972 K(o=2.4,f=0.13) USER MOD Set10.1: A 7 LYS NZ :NH3+ -175:sc= 1.25 (180deg=0) USER MOD Set10.2: A 11 GLN : amide:sc= 1.05 K(o=2.3,f=-7.9!) USER MOD Single : A 1 LYS N :NH3+ -167:sc= 1.26 (180deg=0.99) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HE2:sc= -3.98 K(o=-3.9,f=-9.4!) USER MOD Single : A 13 MET CE :methyl 164:sc= -0.212 (180deg=-1.41) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.276 K(o=0.28,f=-2!) USER MOD Single : A 20 SER OG : rot -9:sc= 0.353 USER MOD Single : A 21 SER OG : rot -160:sc= -0.518 USER MOD Single : A 23 SER OG : rot 180:sc= 0.0655 USER MOD Single : A 27 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 29 MET CE :methyl -175:sc= -0.177 (180deg=-0.283) USER MOD Single : A 30 MET CE :methyl -165:sc= -0.0364 (180deg=-0.311) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot -172:sc= 1.1 USER MOD Single : A 36 THR OG1 : rot -137:sc= 0.32 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc=-0.00082 (180deg=-0.084) USER MOD Single : A 45 THR OG1 : rot -82:sc= 1.23 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 168:sc=-0.00349 (180deg=-0.124) USER MOD Single : A 60 GLN : amide:sc= -0.0447 X(o=-0.045,f=-0.017) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.886 K(o=0.89,f=0) USER MOD Single : A 70 THR OG1 : rot -36:sc= 0.217 USER MOD Single : A 71 ASN : amide:sc= 0.366 K(o=0.37,f=-0.88) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 85:sc= 1.01 USER MOD Single : A 76 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.19) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0663 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 89 SER OG : rot 180:sc= -0.115 USER MOD Single : A 90 SER OG : rot 174:sc= 1.37 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot -121:sc= 0.0182 USER MOD Single : A 94 ASN : amide:sc= -0.0135 X(o=-0.013,f=0) USER MOD Single : A 99 THR OG1 : rot 72:sc= -0.137 USER MOD Single : A 101 GLN : amide:sc= 0.266 K(o=0.27,f=-0.64) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -0.333 K(o=-0.33,f=-3.9!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.001) USER MOD Single : A 123 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -1.068 13.752 15.761 1.00 0.00 N ATOM 2 CA LYS A 1 -0.012 13.316 16.701 1.00 0.00 C ATOM 3 C LYS A 1 1.177 12.754 15.921 1.00 0.00 C ATOM 4 O LYS A 1 2.325 13.096 16.183 1.00 0.00 O ATOM 5 CB LYS A 1 -0.542 12.363 17.793 1.00 0.00 C ATOM 6 CG LYS A 1 -1.207 11.069 17.289 1.00 0.00 C ATOM 7 CD LYS A 1 -1.592 10.117 18.435 1.00 0.00 C ATOM 8 CE LYS A 1 -2.739 10.666 19.301 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.195 9.684 20.310 1.00 0.00 N ATOM 0 H1 LYS A 1 -1.769 14.327 16.269 1.00 0.00 H new ATOM 0 H2 LYS A 1 -0.643 14.318 14.999 1.00 0.00 H new ATOM 0 H3 LYS A 1 -1.535 12.918 15.352 1.00 0.00 H new ATOM 0 HA LYS A 1 0.341 14.187 17.253 1.00 0.00 H new ATOM 0 HB2 LYS A 1 0.288 12.092 18.446 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -1.264 12.906 18.403 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -2.099 11.322 16.717 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -0.527 10.556 16.609 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -1.885 9.153 18.019 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -0.720 9.940 19.064 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -2.410 11.575 19.804 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.576 10.942 18.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.968 10.096 20.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.534 8.826 19.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -2.404 9.439 20.939 1.00 0.00 H new ATOM 18 N GLU A 2 0.871 11.923 14.930 1.00 0.00 N ATOM 19 CA GLU A 2 1.762 11.496 13.878 1.00 0.00 C ATOM 20 C GLU A 2 2.213 12.714 13.067 1.00 0.00 C ATOM 21 O GLU A 2 1.561 13.759 13.096 1.00 0.00 O ATOM 22 CB GLU A 2 0.986 10.523 12.970 1.00 0.00 C ATOM 23 CG GLU A 2 -0.331 11.110 12.407 1.00 0.00 C ATOM 24 CD GLU A 2 -1.544 10.874 13.303 1.00 0.00 C ATOM 25 OE1 GLU A 2 -1.698 11.677 14.256 1.00 0.00 O ATOM 26 OE2 GLU A 2 -2.262 9.886 13.055 1.00 0.00 O ATOM 0 H GLU A 2 -0.058 11.512 14.842 1.00 0.00 H new ATOM 0 HA GLU A 2 2.643 11.006 14.294 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.626 10.228 12.139 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.758 9.618 13.534 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.205 12.182 12.257 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.524 10.672 11.428 1.00 0.00 H new ATOM 31 N SER A 3 3.264 12.537 12.265 1.00 0.00 N ATOM 32 CA SER A 3 3.689 13.512 11.269 1.00 0.00 C ATOM 33 C SER A 3 3.175 13.107 9.882 1.00 0.00 C ATOM 34 O SER A 3 3.907 13.239 8.903 1.00 0.00 O ATOM 35 CB SER A 3 5.216 13.616 11.286 1.00 0.00 C ATOM 36 OG SER A 3 5.678 13.746 12.617 1.00 0.00 O ATOM 0 H SER A 3 3.849 11.702 12.292 1.00 0.00 H new ATOM 0 HA SER A 3 3.270 14.490 11.506 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.654 12.731 10.825 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.537 14.474 10.696 1.00 0.00 H new ATOM 0 HG SER A 3 6.656 13.810 12.619 1.00 0.00 H new ATOM 41 N ALA A 4 1.949 12.567 9.804 1.00 0.00 N ATOM 42 CA ALA A 4 1.328 12.001 8.602 1.00 0.00 C ATOM 43 C ALA A 4 2.062 10.749 8.113 1.00 0.00 C ATOM 44 O ALA A 4 1.498 9.655 8.138 1.00 0.00 O ATOM 45 CB ALA A 4 1.170 13.057 7.500 1.00 0.00 C ATOM 0 H ALA A 4 1.336 12.512 10.618 1.00 0.00 H new ATOM 0 HA ALA A 4 0.323 11.679 8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.707 12.603 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.541 13.870 7.863 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.150 13.450 7.229 1.00 0.00 H new ATOM 51 N ALA A 5 3.316 10.904 7.686 1.00 0.00 N ATOM 52 CA ALA A 5 4.162 9.845 7.157 1.00 0.00 C ATOM 53 C ALA A 5 4.097 8.591 8.021 1.00 0.00 C ATOM 54 O ALA A 5 3.737 7.527 7.534 1.00 0.00 O ATOM 55 CB ALA A 5 5.599 10.349 7.050 1.00 0.00 C ATOM 0 H ALA A 5 3.785 11.810 7.702 1.00 0.00 H new ATOM 0 HA ALA A 5 3.797 9.574 6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.234 9.557 6.654 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.634 11.210 6.382 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.957 10.641 8.037 1.00 0.00 H new ATOM 61 N ALA A 6 4.391 8.739 9.316 1.00 0.00 N ATOM 62 CA ALA A 6 4.406 7.629 10.260 1.00 0.00 C ATOM 63 C ALA A 6 3.078 6.868 10.253 1.00 0.00 C ATOM 64 O ALA A 6 3.047 5.646 10.367 1.00 0.00 O ATOM 65 CB ALA A 6 4.720 8.159 11.662 1.00 0.00 C ATOM 0 H ALA A 6 4.626 9.638 9.736 1.00 0.00 H new ATOM 0 HA ALA A 6 5.181 6.925 9.957 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.732 7.330 12.370 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.695 8.646 11.657 1.00 0.00 H new ATOM 0 HB3 ALA A 6 3.957 8.879 11.958 1.00 0.00 H new ATOM 71 N LYS A 7 1.963 7.587 10.133 1.00 0.00 N ATOM 72 CA LYS A 7 0.642 6.992 10.149 1.00 0.00 C ATOM 73 C LYS A 7 0.374 6.295 8.816 1.00 0.00 C ATOM 74 O LYS A 7 -0.051 5.143 8.811 1.00 0.00 O ATOM 75 CB LYS A 7 -0.362 8.091 10.515 1.00 0.00 C ATOM 76 CG LYS A 7 -1.840 7.711 10.401 1.00 0.00 C ATOM 77 CD LYS A 7 -2.392 8.023 9.003 1.00 0.00 C ATOM 78 CE LYS A 7 -3.923 8.101 9.059 1.00 0.00 C ATOM 79 NZ LYS A 7 -4.513 8.106 7.706 1.00 0.00 N ATOM 0 H LYS A 7 1.958 8.601 10.022 1.00 0.00 H new ATOM 0 HA LYS A 7 0.547 6.209 10.901 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.166 8.408 11.539 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.178 8.953 9.873 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.962 6.649 10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.416 8.254 11.151 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.983 8.967 8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.083 7.251 8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.311 7.253 9.624 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.223 9.003 9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.541 8.245 7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.097 8.879 7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.317 7.198 7.239 1.00 0.00 H new ATOM 89 N PHE A 8 0.630 6.971 7.688 1.00 0.00 N ATOM 90 CA PHE A 8 0.578 6.348 6.363 1.00 0.00 C ATOM 91 C PHE A 8 1.348 5.022 6.382 1.00 0.00 C ATOM 92 O PHE A 8 0.806 3.976 6.020 1.00 0.00 O ATOM 93 CB PHE A 8 1.137 7.303 5.295 1.00 0.00 C ATOM 94 CG PHE A 8 1.727 6.592 4.089 1.00 0.00 C ATOM 95 CD1 PHE A 8 0.893 5.940 3.162 1.00 0.00 C ATOM 96 CD2 PHE A 8 3.116 6.373 4.046 1.00 0.00 C ATOM 97 CE1 PHE A 8 1.456 5.134 2.152 1.00 0.00 C ATOM 98 CE2 PHE A 8 3.672 5.544 3.062 1.00 0.00 C ATOM 99 CZ PHE A 8 2.851 4.976 2.077 1.00 0.00 C ATOM 0 H PHE A 8 0.878 7.960 7.670 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.461 6.139 6.107 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.340 7.966 4.960 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.905 7.930 5.747 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.179 6.057 3.224 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.757 6.846 4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.817 4.638 1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.733 5.343 3.062 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.289 4.418 1.263 1.00 0.00 H new ATOM 108 N GLU A 9 2.603 5.083 6.834 1.00 0.00 N ATOM 109 CA GLU A 9 3.460 3.933 7.025 1.00 0.00 C ATOM 110 C GLU A 9 2.713 2.895 7.838 1.00 0.00 C ATOM 111 O GLU A 9 2.444 1.818 7.331 1.00 0.00 O ATOM 112 CB GLU A 9 4.755 4.338 7.738 1.00 0.00 C ATOM 113 CG GLU A 9 5.806 4.775 6.714 1.00 0.00 C ATOM 114 CD GLU A 9 7.036 5.431 7.338 1.00 0.00 C ATOM 115 OE1 GLU A 9 7.006 5.672 8.565 1.00 0.00 O ATOM 116 OE2 GLU A 9 7.988 5.684 6.569 1.00 0.00 O ATOM 0 H GLU A 9 3.054 5.964 7.081 1.00 0.00 H new ATOM 0 HA GLU A 9 3.728 3.516 6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.556 5.151 8.436 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.134 3.501 8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.122 3.906 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.349 5.473 6.013 1.00 0.00 H new ATOM 121 N ARG A 10 2.347 3.191 9.084 1.00 0.00 N ATOM 122 CA ARG A 10 1.743 2.164 9.917 1.00 0.00 C ATOM 123 C ARG A 10 0.506 1.541 9.250 1.00 0.00 C ATOM 124 O ARG A 10 0.243 0.351 9.426 1.00 0.00 O ATOM 125 CB ARG A 10 1.375 2.718 11.299 1.00 0.00 C ATOM 126 CG ARG A 10 2.597 3.100 12.146 1.00 0.00 C ATOM 127 CD ARG A 10 3.235 1.897 12.846 1.00 0.00 C ATOM 128 NE ARG A 10 4.378 2.342 13.659 1.00 0.00 N ATOM 129 CZ ARG A 10 5.137 1.546 14.430 1.00 0.00 C ATOM 130 NH1 ARG A 10 4.883 0.234 14.485 1.00 0.00 N ATOM 131 NH2 ARG A 10 6.143 2.066 15.144 1.00 0.00 N ATOM 0 H ARG A 10 2.455 4.105 9.525 1.00 0.00 H new ATOM 0 HA ARG A 10 2.489 1.379 10.042 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.740 3.595 11.174 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.788 1.974 11.836 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.340 3.579 11.508 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.299 3.834 12.895 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.499 1.400 13.478 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.565 1.167 12.107 1.00 0.00 H new ATOM 0 HE ARG A 10 4.613 3.334 13.635 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.114 -0.160 13.942 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.458 -0.373 15.070 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.333 3.067 15.103 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.719 1.461 15.729 1.00 0.00 H new ATOM 142 N GLN A 11 -0.275 2.340 8.511 1.00 0.00 N ATOM 143 CA GLN A 11 -1.436 1.852 7.781 1.00 0.00 C ATOM 144 C GLN A 11 -1.053 0.902 6.637 1.00 0.00 C ATOM 145 O GLN A 11 -1.653 -0.165 6.519 1.00 0.00 O ATOM 146 CB GLN A 11 -2.321 3.017 7.307 1.00 0.00 C ATOM 147 CG GLN A 11 -2.998 3.713 8.499 1.00 0.00 C ATOM 148 CD GLN A 11 -4.094 4.684 8.072 1.00 0.00 C ATOM 149 OE1 GLN A 11 -3.904 5.535 7.204 1.00 0.00 O ATOM 150 NE2 GLN A 11 -5.262 4.602 8.705 1.00 0.00 N ATOM 0 H GLN A 11 -0.114 3.342 8.407 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.029 1.256 8.475 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.716 3.737 6.756 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.080 2.645 6.619 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.425 2.959 9.160 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.245 4.252 9.074 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.404 3.891 9.422 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.015 5.250 8.473 1.00 0.00 H new ATOM 157 N HIS A 12 -0.110 1.292 5.772 1.00 0.00 N ATOM 158 CA HIS A 12 0.198 0.561 4.541 1.00 0.00 C ATOM 159 C HIS A 12 1.511 -0.223 4.629 1.00 0.00 C ATOM 160 O HIS A 12 1.613 -1.337 4.112 1.00 0.00 O ATOM 161 CB HIS A 12 0.224 1.541 3.360 1.00 0.00 C ATOM 162 CG HIS A 12 0.320 0.874 2.003 1.00 0.00 C ATOM 163 ND1 HIS A 12 1.085 -0.235 1.683 1.00 0.00 N ATOM 164 CD2 HIS A 12 -0.321 1.277 0.864 1.00 0.00 C ATOM 165 CE1 HIS A 12 0.936 -0.484 0.372 1.00 0.00 C ATOM 166 NE2 HIS A 12 0.086 0.422 -0.144 1.00 0.00 N ATOM 0 H HIS A 12 0.462 2.126 5.908 1.00 0.00 H new ATOM 0 HA HIS A 12 -0.587 -0.179 4.389 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -0.678 2.152 3.389 1.00 0.00 H new ATOM 0 HB3 HIS A 12 1.071 2.217 3.481 1.00 0.00 H new ATOM 0 HD1 HIS A 12 1.662 -0.770 2.331 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.011 2.103 0.770 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.418 -1.279 -0.177 1.00 0.00 H new ATOM 174 N MET A 13 2.570 0.386 5.141 1.00 0.00 N ATOM 175 CA MET A 13 3.825 -0.309 5.347 1.00 0.00 C ATOM 176 C MET A 13 3.635 -1.373 6.438 1.00 0.00 C ATOM 177 O MET A 13 3.004 -1.112 7.461 1.00 0.00 O ATOM 178 CB MET A 13 4.935 0.709 5.653 1.00 0.00 C ATOM 179 CG MET A 13 6.324 0.094 5.461 1.00 0.00 C ATOM 180 SD MET A 13 6.908 -0.957 6.806 1.00 0.00 S ATOM 181 CE MET A 13 8.231 -1.818 5.941 1.00 0.00 C ATOM 0 H MET A 13 2.581 1.366 5.422 1.00 0.00 H new ATOM 0 HA MET A 13 4.139 -0.836 4.446 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.826 1.576 5.001 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.832 1.066 6.678 1.00 0.00 H new ATOM 0 HG2 MET A 13 6.317 -0.493 4.543 1.00 0.00 H new ATOM 0 HG3 MET A 13 7.042 0.902 5.318 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.888 -2.297 6.666 1.00 0.00 H new ATOM 0 HE2 MET A 13 7.803 -2.575 5.283 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.803 -1.104 5.349 1.00 0.00 H new ATOM 189 N ASP A 14 4.153 -2.580 6.202 1.00 0.00 N ATOM 190 CA ASP A 14 4.142 -3.678 7.153 1.00 0.00 C ATOM 191 C ASP A 14 5.395 -4.533 6.917 1.00 0.00 C ATOM 192 O ASP A 14 6.089 -4.371 5.907 1.00 0.00 O ATOM 193 CB ASP A 14 2.826 -4.470 7.041 1.00 0.00 C ATOM 194 CG ASP A 14 2.921 -5.789 7.787 1.00 0.00 C ATOM 195 OD1 ASP A 14 3.207 -5.720 9.001 1.00 0.00 O ATOM 196 OD2 ASP A 14 2.881 -6.853 7.131 1.00 0.00 O ATOM 0 H ASP A 14 4.602 -2.821 5.318 1.00 0.00 H new ATOM 0 HA ASP A 14 4.178 -3.311 8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.005 -3.878 7.445 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.598 -4.657 5.992 1.00 0.00 H new ATOM 200 N SER A 15 5.696 -5.405 7.880 1.00 0.00 N ATOM 201 CA SER A 15 6.824 -6.318 7.879 1.00 0.00 C ATOM 202 C SER A 15 6.394 -7.711 8.359 1.00 0.00 C ATOM 203 O SER A 15 7.223 -8.455 8.880 1.00 0.00 O ATOM 204 CB SER A 15 7.928 -5.719 8.758 1.00 0.00 C ATOM 205 OG SER A 15 7.419 -5.378 10.036 1.00 0.00 O ATOM 0 H SER A 15 5.126 -5.493 8.722 1.00 0.00 H new ATOM 0 HA SER A 15 7.209 -6.446 6.867 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.744 -6.434 8.865 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.342 -4.833 8.277 1.00 0.00 H new ATOM 0 HG SER A 15 8.138 -4.999 10.584 1.00 0.00 H new ATOM 210 N GLY A 16 5.121 -8.090 8.177 1.00 0.00 N ATOM 211 CA GLY A 16 4.610 -9.378 8.620 1.00 0.00 C ATOM 212 C GLY A 16 5.453 -10.495 8.012 1.00 0.00 C ATOM 213 O GLY A 16 5.560 -10.566 6.788 1.00 0.00 O ATOM 0 H GLY A 16 4.423 -7.506 7.717 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.638 -9.438 9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.568 -9.490 8.321 1.00 0.00 H new ATOM 216 N ASN A 17 6.067 -11.321 8.862 1.00 0.00 N ATOM 217 CA ASN A 17 7.088 -12.296 8.486 1.00 0.00 C ATOM 218 C ASN A 17 6.524 -13.706 8.295 1.00 0.00 C ATOM 219 O ASN A 17 7.290 -14.646 8.093 1.00 0.00 O ATOM 220 CB ASN A 17 8.155 -12.329 9.586 1.00 0.00 C ATOM 221 CG ASN A 17 7.565 -12.884 10.880 1.00 0.00 C ATOM 222 OD1 ASN A 17 6.767 -12.213 11.526 1.00 0.00 O ATOM 223 ND2 ASN A 17 7.905 -14.116 11.244 1.00 0.00 N ATOM 0 H ASN A 17 5.860 -11.328 9.861 1.00 0.00 H new ATOM 0 HA ASN A 17 7.506 -11.986 7.528 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.996 -12.945 9.268 1.00 0.00 H new ATOM 0 HB3 ASN A 17 8.543 -11.325 9.756 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.499 -14.530 12.083 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.572 -14.647 10.684 1.00 0.00 H new ATOM 229 N SER A 18 5.208 -13.884 8.408 1.00 0.00 N ATOM 230 CA SER A 18 4.576 -15.177 8.230 1.00 0.00 C ATOM 231 C SER A 18 4.738 -15.656 6.781 1.00 0.00 C ATOM 232 O SER A 18 4.785 -14.829 5.871 1.00 0.00 O ATOM 233 CB SER A 18 3.098 -15.044 8.612 1.00 0.00 C ATOM 234 OG SER A 18 2.642 -13.725 8.349 1.00 0.00 O ATOM 0 H SER A 18 4.556 -13.131 8.626 1.00 0.00 H new ATOM 0 HA SER A 18 5.049 -15.922 8.870 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.503 -15.762 8.048 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.965 -15.279 9.668 1.00 0.00 H new ATOM 0 HG SER A 18 1.751 -13.603 8.739 1.00 0.00 H new ATOM 239 N PRO A 19 4.814 -16.976 6.550 1.00 0.00 N ATOM 240 CA PRO A 19 4.806 -17.535 5.210 1.00 0.00 C ATOM 241 C PRO A 19 3.404 -17.419 4.602 1.00 0.00 C ATOM 242 O PRO A 19 2.463 -16.991 5.272 1.00 0.00 O ATOM 243 CB PRO A 19 5.230 -18.996 5.393 1.00 0.00 C ATOM 244 CG PRO A 19 4.664 -19.339 6.771 1.00 0.00 C ATOM 245 CD PRO A 19 4.841 -18.034 7.548 1.00 0.00 C ATOM 0 HA PRO A 19 5.476 -17.013 4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.818 -19.638 4.615 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.313 -19.111 5.360 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.617 -19.637 6.715 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.205 -20.163 7.236 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.044 -17.903 8.280 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.782 -18.030 8.098 1.00 0.00 H new ATOM 250 N SER A 20 3.294 -17.821 3.330 1.00 0.00 N ATOM 251 CA SER A 20 2.091 -17.742 2.510 1.00 0.00 C ATOM 252 C SER A 20 1.426 -16.362 2.584 1.00 0.00 C ATOM 253 O SER A 20 2.107 -15.350 2.750 1.00 0.00 O ATOM 254 CB SER A 20 1.150 -18.928 2.784 1.00 0.00 C ATOM 255 OG SER A 20 0.571 -18.873 4.071 1.00 0.00 O ATOM 0 H SER A 20 4.082 -18.229 2.826 1.00 0.00 H new ATOM 0 HA SER A 20 2.383 -17.841 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.359 -18.941 2.034 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.705 -19.860 2.678 1.00 0.00 H new ATOM 0 HG SER A 20 1.001 -18.163 4.593 1.00 0.00 H new ATOM 260 N SER A 21 0.107 -16.305 2.376 1.00 0.00 N ATOM 261 CA SER A 21 -0.688 -15.097 2.334 1.00 0.00 C ATOM 262 C SER A 21 -2.139 -15.539 2.139 1.00 0.00 C ATOM 263 O SER A 21 -2.369 -16.572 1.510 1.00 0.00 O ATOM 264 CB SER A 21 -0.213 -14.201 1.180 1.00 0.00 C ATOM 265 OG SER A 21 -0.926 -12.985 1.154 1.00 0.00 O ATOM 0 H SER A 21 -0.452 -17.145 2.227 1.00 0.00 H new ATOM 0 HA SER A 21 -0.591 -14.514 3.250 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.853 -13.999 1.288 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.344 -14.723 0.232 1.00 0.00 H new ATOM 0 HG SER A 21 -0.848 -12.579 0.265 1.00 0.00 H new ATOM 270 N SER A 22 -3.112 -14.799 2.677 1.00 0.00 N ATOM 271 CA SER A 22 -4.527 -15.103 2.522 1.00 0.00 C ATOM 272 C SER A 22 -5.351 -13.912 3.007 1.00 0.00 C ATOM 273 O SER A 22 -4.808 -12.958 3.571 1.00 0.00 O ATOM 274 CB SER A 22 -4.903 -16.346 3.345 1.00 0.00 C ATOM 275 OG SER A 22 -4.865 -16.000 4.714 1.00 0.00 O ATOM 0 H SER A 22 -2.932 -13.965 3.237 1.00 0.00 H new ATOM 0 HA SER A 22 -4.733 -15.301 1.470 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.897 -16.697 3.070 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.209 -17.161 3.140 1.00 0.00 H new ATOM 0 HG SER A 22 -5.488 -16.569 5.213 1.00 0.00 H new ATOM 280 N SER A 23 -6.675 -14.010 2.865 1.00 0.00 N ATOM 281 CA SER A 23 -7.657 -13.133 3.479 1.00 0.00 C ATOM 282 C SER A 23 -7.364 -12.899 4.968 1.00 0.00 C ATOM 283 O SER A 23 -7.777 -11.871 5.511 1.00 0.00 O ATOM 284 CB SER A 23 -9.038 -13.775 3.284 1.00 0.00 C ATOM 285 OG SER A 23 -8.893 -15.184 3.192 1.00 0.00 O ATOM 0 H SER A 23 -7.104 -14.737 2.292 1.00 0.00 H new ATOM 0 HA SER A 23 -7.620 -12.152 3.005 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.691 -13.519 4.118 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.508 -13.387 2.380 1.00 0.00 H new ATOM 0 HG SER A 23 -9.774 -15.596 3.069 1.00 0.00 H new ATOM 290 N ASN A 24 -6.646 -13.816 5.634 1.00 0.00 N ATOM 291 CA ASN A 24 -6.212 -13.589 7.001 1.00 0.00 C ATOM 292 C ASN A 24 -5.437 -12.284 7.108 1.00 0.00 C ATOM 293 O ASN A 24 -5.776 -11.475 7.960 1.00 0.00 O ATOM 294 CB ASN A 24 -5.398 -14.757 7.567 1.00 0.00 C ATOM 295 CG ASN A 24 -6.217 -16.039 7.694 1.00 0.00 C ATOM 296 OD1 ASN A 24 -6.111 -16.939 6.866 1.00 0.00 O ATOM 297 ND2 ASN A 24 -7.040 -16.140 8.732 1.00 0.00 N ATOM 0 H ASN A 24 -6.360 -14.713 5.242 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.113 -13.515 7.610 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.539 -14.942 6.922 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.008 -14.481 8.547 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.604 -16.981 8.856 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.108 -15.377 9.405 1.00 0.00 H new ATOM 303 N TYR A 25 -4.437 -12.035 6.254 1.00 0.00 N ATOM 304 CA TYR A 25 -3.672 -10.795 6.367 1.00 0.00 C ATOM 305 C TYR A 25 -4.588 -9.584 6.228 1.00 0.00 C ATOM 306 O TYR A 25 -4.451 -8.625 6.986 1.00 0.00 O ATOM 307 CB TYR A 25 -2.579 -10.684 5.289 1.00 0.00 C ATOM 308 CG TYR A 25 -1.264 -11.405 5.518 1.00 0.00 C ATOM 309 CD1 TYR A 25 -0.610 -11.312 6.763 1.00 0.00 C ATOM 310 CD2 TYR A 25 -0.539 -11.847 4.396 1.00 0.00 C ATOM 311 CE1 TYR A 25 0.720 -11.744 6.898 1.00 0.00 C ATOM 312 CE2 TYR A 25 0.803 -12.244 4.524 1.00 0.00 C ATOM 313 CZ TYR A 25 1.420 -12.237 5.784 1.00 0.00 C ATOM 314 OH TYR A 25 2.748 -12.509 5.887 1.00 0.00 O ATOM 0 H TYR A 25 -4.147 -12.657 5.499 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.203 -10.815 7.351 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.999 -11.049 4.352 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.357 -9.626 5.148 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.133 -10.907 7.617 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.018 -11.881 3.429 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.206 -11.697 7.861 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.360 -12.555 3.652 1.00 0.00 H new ATOM 0 HH TYR A 25 2.924 -12.963 6.737 1.00 0.00 H new ATOM 323 N CYS A 26 -5.503 -9.635 5.252 1.00 0.00 N ATOM 324 CA CYS A 26 -6.445 -8.547 5.010 1.00 0.00 C ATOM 325 C CYS A 26 -7.158 -8.246 6.315 1.00 0.00 C ATOM 326 O CYS A 26 -7.009 -7.165 6.880 1.00 0.00 O ATOM 327 CB CYS A 26 -7.488 -8.903 3.945 1.00 0.00 C ATOM 328 SG CYS A 26 -7.172 -8.447 2.224 1.00 0.00 S ATOM 0 H CYS A 26 -5.607 -10.426 4.616 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.887 -7.685 4.644 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.637 -9.982 3.978 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -8.431 -8.442 4.240 1.00 0.00 H new ATOM 332 N ASN A 27 -7.940 -9.221 6.778 1.00 0.00 N ATOM 333 CA ASN A 27 -8.844 -9.011 7.894 1.00 0.00 C ATOM 334 C ASN A 27 -8.049 -8.695 9.159 1.00 0.00 C ATOM 335 O ASN A 27 -8.424 -7.805 9.915 1.00 0.00 O ATOM 336 CB ASN A 27 -9.748 -10.229 8.101 1.00 0.00 C ATOM 337 CG ASN A 27 -10.776 -10.351 6.979 1.00 0.00 C ATOM 338 OD1 ASN A 27 -11.881 -9.833 7.091 1.00 0.00 O ATOM 339 ND2 ASN A 27 -10.425 -11.010 5.877 1.00 0.00 N ATOM 0 H ASN A 27 -7.961 -10.165 6.392 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.486 -8.160 7.668 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.141 -11.133 8.141 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.260 -10.146 9.060 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.082 -11.093 5.101 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.499 -11.432 5.808 1.00 0.00 H new ATOM 345 N LEU A 28 -6.949 -9.418 9.385 1.00 0.00 N ATOM 346 CA LEU A 28 -6.087 -9.249 10.544 1.00 0.00 C ATOM 347 C LEU A 28 -5.587 -7.813 10.603 1.00 0.00 C ATOM 348 O LEU A 28 -5.853 -7.093 11.566 1.00 0.00 O ATOM 349 CB LEU A 28 -4.905 -10.236 10.480 1.00 0.00 C ATOM 350 CG LEU A 28 -3.991 -10.307 11.720 1.00 0.00 C ATOM 351 CD1 LEU A 28 -3.026 -9.121 11.851 1.00 0.00 C ATOM 352 CD2 LEU A 28 -4.779 -10.493 13.020 1.00 0.00 C ATOM 0 H LEU A 28 -6.631 -10.151 8.751 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.656 -9.461 11.449 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.305 -11.233 10.295 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.290 -9.974 9.619 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.382 -11.195 11.554 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.418 -9.244 12.747 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.378 -9.081 10.975 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.596 -8.195 11.924 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.088 -10.537 13.862 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.462 -9.654 13.155 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.349 -11.421 12.970 1.00 0.00 H new ATOM 363 N MET A 29 -4.832 -7.399 9.581 1.00 0.00 N ATOM 364 CA MET A 29 -4.183 -6.103 9.613 1.00 0.00 C ATOM 365 C MET A 29 -5.239 -5.004 9.607 1.00 0.00 C ATOM 366 O MET A 29 -5.124 -4.040 10.362 1.00 0.00 O ATOM 367 CB MET A 29 -3.183 -5.964 8.462 1.00 0.00 C ATOM 368 CG MET A 29 -2.188 -4.834 8.763 1.00 0.00 C ATOM 369 SD MET A 29 -1.011 -4.420 7.452 1.00 0.00 S ATOM 370 CE MET A 29 -0.328 -6.052 7.084 1.00 0.00 C ATOM 0 H MET A 29 -4.662 -7.942 8.734 1.00 0.00 H new ATOM 0 HA MET A 29 -3.607 -6.006 10.533 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.647 -6.903 8.320 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.713 -5.755 7.533 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.756 -3.936 9.007 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.623 -5.106 9.655 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.478 -5.954 6.356 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.062 -6.498 7.999 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.111 -6.690 6.674 1.00 0.00 H new ATOM 378 N MET A 30 -6.281 -5.168 8.784 1.00 0.00 N ATOM 379 CA MET A 30 -7.419 -4.267 8.765 1.00 0.00 C ATOM 380 C MET A 30 -7.973 -4.073 10.171 1.00 0.00 C ATOM 381 O MET A 30 -8.091 -2.937 10.620 1.00 0.00 O ATOM 382 CB MET A 30 -8.487 -4.811 7.814 1.00 0.00 C ATOM 383 CG MET A 30 -9.737 -3.936 7.771 1.00 0.00 C ATOM 384 SD MET A 30 -10.995 -4.158 9.065 1.00 0.00 S ATOM 385 CE MET A 30 -11.471 -5.887 8.844 1.00 0.00 C ATOM 0 H MET A 30 -6.351 -5.934 8.114 1.00 0.00 H new ATOM 0 HA MET A 30 -7.099 -3.290 8.403 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.068 -4.889 6.811 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.764 -5.819 8.123 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.414 -2.895 7.797 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.221 -4.096 6.807 1.00 0.00 H new ATOM 0 HE1 MET A 30 -12.402 -6.079 9.377 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.611 -6.093 7.783 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.687 -6.533 9.239 1.00 0.00 H new ATOM 393 N CYS A 31 -8.313 -5.171 10.850 1.00 0.00 N ATOM 394 CA CYS A 31 -8.896 -5.144 12.183 1.00 0.00 C ATOM 395 C CYS A 31 -7.946 -4.450 13.152 1.00 0.00 C ATOM 396 O CYS A 31 -8.329 -3.498 13.828 1.00 0.00 O ATOM 397 CB CYS A 31 -9.199 -6.569 12.650 1.00 0.00 C ATOM 398 SG CYS A 31 -9.826 -6.480 14.343 1.00 0.00 S ATOM 0 H CYS A 31 -8.187 -6.113 10.480 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.831 -4.584 12.155 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -9.935 -7.036 11.995 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.299 -7.183 12.608 1.00 0.00 H new ATOM 0 HG CYS A 31 -10.096 -7.678 14.769 1.00 0.00 H new ATOM 403 N CYS A 32 -6.689 -4.901 13.176 1.00 0.00 N ATOM 404 CA CYS A 32 -5.641 -4.355 14.027 1.00 0.00 C ATOM 405 C CYS A 32 -5.491 -2.842 13.845 1.00 0.00 C ATOM 406 O CYS A 32 -5.385 -2.103 14.820 1.00 0.00 O ATOM 407 CB CYS A 32 -4.330 -5.094 13.743 1.00 0.00 C ATOM 408 SG CYS A 32 -2.973 -4.299 14.633 1.00 0.00 S ATOM 0 H CYS A 32 -6.370 -5.672 12.590 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.916 -4.508 15.070 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.416 -6.137 14.049 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.125 -5.092 12.672 1.00 0.00 H new ATOM 0 HG CYS A 32 -1.843 -4.823 14.260 1.00 0.00 H new ATOM 413 N ARG A 33 -5.477 -2.367 12.596 1.00 0.00 N ATOM 414 CA ARG A 33 -5.414 -0.939 12.307 1.00 0.00 C ATOM 415 C ARG A 33 -6.760 -0.239 12.549 1.00 0.00 C ATOM 416 O ARG A 33 -6.798 0.964 12.790 1.00 0.00 O ATOM 417 CB ARG A 33 -4.967 -0.719 10.852 1.00 0.00 C ATOM 418 CG ARG A 33 -3.880 0.357 10.759 1.00 0.00 C ATOM 419 CD ARG A 33 -2.467 -0.237 10.663 1.00 0.00 C ATOM 420 NE ARG A 33 -2.233 -1.368 11.575 1.00 0.00 N ATOM 421 CZ ARG A 33 -1.244 -2.265 11.410 1.00 0.00 C ATOM 422 NH1 ARG A 33 -0.299 -2.073 10.481 1.00 0.00 N ATOM 423 NH2 ARG A 33 -1.210 -3.359 12.177 1.00 0.00 N ATOM 0 H ARG A 33 -5.509 -2.959 11.766 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.687 -0.499 12.990 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.591 -1.655 10.440 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.825 -0.426 10.246 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.067 0.983 9.886 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.939 1.004 11.634 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.291 -0.566 9.639 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.739 0.546 10.876 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.855 -1.478 12.376 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -0.325 -1.241 9.891 1.00 0.00 H new ATOM 0 HH12 ARG A 33 0.447 -2.759 10.363 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.931 -3.510 12.882 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.463 -4.043 12.057 1.00 0.00 H new ATOM 434 N LYS A 34 -7.857 -0.981 12.398 1.00 0.00 N ATOM 435 CA LYS A 34 -9.229 -0.505 12.344 1.00 0.00 C ATOM 436 C LYS A 34 -9.383 0.597 11.292 1.00 0.00 C ATOM 437 O LYS A 34 -10.059 1.602 11.518 1.00 0.00 O ATOM 438 CB LYS A 34 -9.748 -0.141 13.745 1.00 0.00 C ATOM 439 CG LYS A 34 -11.197 -0.605 13.972 1.00 0.00 C ATOM 440 CD LYS A 34 -12.183 -0.034 12.938 1.00 0.00 C ATOM 441 CE LYS A 34 -13.636 -0.458 13.197 1.00 0.00 C ATOM 442 NZ LYS A 34 -14.171 0.100 14.457 1.00 0.00 N ATOM 0 H LYS A 34 -7.802 -1.995 12.305 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.879 -1.313 12.008 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.102 -0.593 14.498 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.689 0.939 13.882 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.233 -1.694 13.937 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.515 -0.308 14.971 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.121 1.054 12.947 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.887 -0.362 11.942 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.260 -0.132 12.365 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.693 -1.546 13.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.198 -0.056 14.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.718 -0.371 15.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.974 1.120 14.496 1.00 0.00 H new ATOM 452 N MET A 35 -8.844 0.376 10.086 1.00 0.00 N ATOM 453 CA MET A 35 -8.932 1.351 8.998 1.00 0.00 C ATOM 454 C MET A 35 -10.301 1.329 8.307 1.00 0.00 C ATOM 455 O MET A 35 -10.399 1.489 7.092 1.00 0.00 O ATOM 456 CB MET A 35 -7.735 1.227 8.030 1.00 0.00 C ATOM 457 CG MET A 35 -7.435 -0.147 7.406 1.00 0.00 C ATOM 458 SD MET A 35 -8.480 -0.677 6.020 1.00 0.00 S ATOM 459 CE MET A 35 -7.460 -1.999 5.331 1.00 0.00 C ATOM 0 H MET A 35 -8.340 -0.476 9.841 1.00 0.00 H new ATOM 0 HA MET A 35 -8.857 2.347 9.435 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.893 1.934 7.215 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.842 1.551 8.564 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.399 -0.144 7.066 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.510 -0.898 8.192 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.962 -2.433 4.466 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.496 -1.593 5.025 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.306 -2.770 6.086 1.00 0.00 H new ATOM 467 N THR A 36 -11.367 1.129 9.087 1.00 0.00 N ATOM 468 CA THR A 36 -12.709 0.876 8.593 1.00 0.00 C ATOM 469 C THR A 36 -13.734 1.387 9.605 1.00 0.00 C ATOM 470 O THR A 36 -14.698 0.692 9.914 1.00 0.00 O ATOM 471 CB THR A 36 -12.897 -0.633 8.358 1.00 0.00 C ATOM 472 OG1 THR A 36 -12.914 -1.317 9.594 1.00 0.00 O ATOM 473 CG2 THR A 36 -11.796 -1.253 7.494 1.00 0.00 C ATOM 0 H THR A 36 -11.311 1.140 10.105 1.00 0.00 H new ATOM 0 HA THR A 36 -12.855 1.401 7.649 1.00 0.00 H new ATOM 0 HB THR A 36 -13.844 -0.737 7.829 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.374 -2.132 9.524 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.989 -2.318 7.368 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.783 -0.768 6.518 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.830 -1.115 7.981 1.00 0.00 H new ATOM 481 N GLN A 37 -13.496 2.563 10.184 1.00 0.00 N ATOM 482 CA GLN A 37 -14.376 3.118 11.208 1.00 0.00 C ATOM 483 C GLN A 37 -15.825 3.249 10.724 1.00 0.00 C ATOM 484 O GLN A 37 -16.743 2.905 11.463 1.00 0.00 O ATOM 485 CB GLN A 37 -13.816 4.456 11.708 1.00 0.00 C ATOM 486 CG GLN A 37 -12.692 4.239 12.732 1.00 0.00 C ATOM 487 CD GLN A 37 -13.260 3.851 14.097 1.00 0.00 C ATOM 488 OE1 GLN A 37 -13.368 2.671 14.425 1.00 0.00 O ATOM 489 NE2 GLN A 37 -13.658 4.833 14.898 1.00 0.00 N ATOM 0 H GLN A 37 -12.695 3.152 9.958 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.404 2.419 12.044 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.437 5.033 10.864 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.616 5.042 12.161 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.020 3.457 12.379 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.100 5.150 12.826 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.558 5.804 14.603 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.064 4.616 15.808 1.00 0.00 H new ATOM 496 N GLY A 38 -16.024 3.763 9.505 1.00 0.00 N ATOM 497 CA GLY A 38 -17.349 3.995 8.938 1.00 0.00 C ATOM 498 C GLY A 38 -17.715 2.930 7.909 1.00 0.00 C ATOM 499 O GLY A 38 -18.736 2.262 8.031 1.00 0.00 O ATOM 0 H GLY A 38 -15.261 4.030 8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.091 4.000 9.736 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.378 4.979 8.470 1.00 0.00 H new ATOM 502 N LYS A 39 -16.875 2.789 6.880 1.00 0.00 N ATOM 503 CA LYS A 39 -16.943 1.714 5.905 1.00 0.00 C ATOM 504 C LYS A 39 -15.518 1.268 5.621 1.00 0.00 C ATOM 505 O LYS A 39 -14.573 1.977 5.971 1.00 0.00 O ATOM 506 CB LYS A 39 -17.710 2.127 4.636 1.00 0.00 C ATOM 507 CG LYS A 39 -17.331 3.470 3.998 1.00 0.00 C ATOM 508 CD LYS A 39 -15.945 3.445 3.333 1.00 0.00 C ATOM 509 CE LYS A 39 -15.751 4.598 2.338 1.00 0.00 C ATOM 510 NZ LYS A 39 -16.564 4.436 1.112 1.00 0.00 N ATOM 0 H LYS A 39 -16.111 3.441 6.703 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.513 0.875 6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -17.572 1.346 3.888 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -18.773 2.154 4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -18.081 3.738 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -17.348 4.247 4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.175 3.500 4.103 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.811 2.495 2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.014 5.539 2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -14.698 4.664 2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.250 5.120 0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.448 3.470 0.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.566 4.603 1.335 1.00 0.00 H new ATOM 520 N CYS A 40 -15.370 0.095 5.011 1.00 0.00 N ATOM 521 CA CYS A 40 -14.084 -0.528 4.739 1.00 0.00 C ATOM 522 C CYS A 40 -13.576 -0.204 3.340 1.00 0.00 C ATOM 523 O CYS A 40 -14.335 0.213 2.468 1.00 0.00 O ATOM 524 CB CYS A 40 -14.138 -2.032 5.029 1.00 0.00 C ATOM 525 SG CYS A 40 -15.630 -2.944 4.575 1.00 0.00 S ATOM 0 H CYS A 40 -16.162 -0.459 4.686 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.348 -0.101 5.420 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -13.296 -2.499 4.518 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -13.978 -2.169 6.098 1.00 0.00 H new ATOM 529 N LYS A 41 -12.259 -0.337 3.158 1.00 0.00 N ATOM 530 CA LYS A 41 -11.579 -0.012 1.918 1.00 0.00 C ATOM 531 C LYS A 41 -11.862 -1.091 0.865 1.00 0.00 C ATOM 532 O LYS A 41 -11.514 -2.244 1.095 1.00 0.00 O ATOM 533 CB LYS A 41 -10.079 0.128 2.213 1.00 0.00 C ATOM 534 CG LYS A 41 -9.800 1.451 2.951 1.00 0.00 C ATOM 535 CD LYS A 41 -8.920 2.381 2.103 1.00 0.00 C ATOM 536 CE LYS A 41 -7.468 1.879 2.114 1.00 0.00 C ATOM 537 NZ LYS A 41 -6.875 1.779 0.765 1.00 0.00 N ATOM 0 H LYS A 41 -11.632 -0.680 3.886 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.944 0.931 1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.741 -0.713 2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.514 0.097 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.742 1.948 3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.307 1.244 3.901 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.294 2.417 1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.966 3.397 2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.863 2.552 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.433 0.900 2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.036 1.165 0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.573 1.375 0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.598 2.726 0.436 1.00 0.00 H new ATOM 547 N PRO A 42 -12.459 -0.755 -0.291 1.00 0.00 N ATOM 548 CA PRO A 42 -12.650 -1.717 -1.369 1.00 0.00 C ATOM 549 C PRO A 42 -11.300 -2.181 -1.924 1.00 0.00 C ATOM 550 O PRO A 42 -11.140 -3.353 -2.254 1.00 0.00 O ATOM 551 CB PRO A 42 -13.497 -0.991 -2.417 1.00 0.00 C ATOM 552 CG PRO A 42 -13.224 0.491 -2.172 1.00 0.00 C ATOM 553 CD PRO A 42 -12.967 0.558 -0.667 1.00 0.00 C ATOM 0 HA PRO A 42 -13.151 -2.625 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.214 -1.284 -3.428 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.556 -1.224 -2.302 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.364 0.841 -2.743 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.073 1.110 -2.463 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -12.245 1.339 -0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.883 0.793 -0.124 1.00 0.00 H new ATOM 558 N VAL A 43 -10.323 -1.273 -2.020 1.00 0.00 N ATOM 559 CA VAL A 43 -8.970 -1.574 -2.473 1.00 0.00 C ATOM 560 C VAL A 43 -7.965 -1.080 -1.433 1.00 0.00 C ATOM 561 O VAL A 43 -8.073 0.042 -0.927 1.00 0.00 O ATOM 562 CB VAL A 43 -8.700 -0.952 -3.859 1.00 0.00 C ATOM 563 CG1 VAL A 43 -9.440 -1.724 -4.958 1.00 0.00 C ATOM 564 CG2 VAL A 43 -9.076 0.534 -3.950 1.00 0.00 C ATOM 0 H VAL A 43 -10.458 -0.291 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.860 -2.653 -2.580 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.622 -1.025 -4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.234 -1.267 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.101 -2.760 -4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.512 -1.695 -4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.859 0.904 -4.952 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.139 0.654 -3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.497 1.101 -3.221 1.00 0.00 H new ATOM 574 N ASN A 44 -6.972 -1.906 -1.105 1.00 0.00 N ATOM 575 CA ASN A 44 -5.827 -1.524 -0.303 1.00 0.00 C ATOM 576 C ASN A 44 -4.655 -2.431 -0.661 1.00 0.00 C ATOM 577 O ASN A 44 -4.852 -3.435 -1.335 1.00 0.00 O ATOM 578 CB ASN A 44 -6.169 -1.629 1.188 1.00 0.00 C ATOM 579 CG ASN A 44 -5.096 -0.920 2.000 1.00 0.00 C ATOM 580 OD1 ASN A 44 -4.919 0.287 1.837 1.00 0.00 O ATOM 581 ND2 ASN A 44 -4.339 -1.641 2.815 1.00 0.00 N ATOM 0 H ASN A 44 -6.948 -2.882 -1.401 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.554 -0.489 -0.509 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.144 -1.181 1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.234 -2.676 1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.580 -1.197 3.332 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.515 -2.640 2.925 1.00 0.00 H new ATOM 587 N THR A 45 -3.450 -2.101 -0.203 1.00 0.00 N ATOM 588 CA THR A 45 -2.280 -2.945 -0.353 1.00 0.00 C ATOM 589 C THR A 45 -1.460 -2.754 0.926 1.00 0.00 C ATOM 590 O THR A 45 -1.517 -1.670 1.512 1.00 0.00 O ATOM 591 CB THR A 45 -1.522 -2.511 -1.623 1.00 0.00 C ATOM 592 OG1 THR A 45 -2.383 -2.342 -2.736 1.00 0.00 O ATOM 593 CG2 THR A 45 -0.333 -3.401 -2.000 1.00 0.00 C ATOM 0 H THR A 45 -3.262 -1.227 0.288 1.00 0.00 H new ATOM 0 HA THR A 45 -2.516 -4.002 -0.476 1.00 0.00 H new ATOM 0 HB THR A 45 -1.101 -1.543 -1.353 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.560 -3.213 -3.148 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.137 -3.017 -2.905 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.393 -3.402 -1.187 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.682 -4.419 -2.176 1.00 0.00 H new ATOM 601 N PHE A 46 -0.704 -3.768 1.354 1.00 0.00 N ATOM 602 CA PHE A 46 0.258 -3.697 2.448 1.00 0.00 C ATOM 603 C PHE A 46 1.648 -4.029 1.900 1.00 0.00 C ATOM 604 O PHE A 46 1.735 -4.702 0.878 1.00 0.00 O ATOM 605 CB PHE A 46 -0.088 -4.677 3.575 1.00 0.00 C ATOM 606 CG PHE A 46 -1.560 -4.847 3.901 1.00 0.00 C ATOM 607 CD1 PHE A 46 -2.314 -3.754 4.366 1.00 0.00 C ATOM 608 CD2 PHE A 46 -2.121 -6.134 3.923 1.00 0.00 C ATOM 609 CE1 PHE A 46 -3.618 -3.952 4.859 1.00 0.00 C ATOM 610 CE2 PHE A 46 -3.429 -6.330 4.391 1.00 0.00 C ATOM 611 CZ PHE A 46 -4.185 -5.239 4.856 1.00 0.00 C ATOM 0 H PHE A 46 -0.750 -4.694 0.930 1.00 0.00 H new ATOM 0 HA PHE A 46 0.233 -2.690 2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.318 -5.654 3.313 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.426 -4.351 4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.891 -2.760 4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.542 -6.978 3.578 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.183 -3.114 5.240 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.857 -7.322 4.394 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.195 -5.389 5.209 1.00 0.00 H new ATOM 620 N VAL A 47 2.720 -3.591 2.568 1.00 0.00 N ATOM 621 CA VAL A 47 4.094 -3.993 2.239 1.00 0.00 C ATOM 622 C VAL A 47 4.521 -5.161 3.145 1.00 0.00 C ATOM 623 O VAL A 47 3.842 -5.447 4.124 1.00 0.00 O ATOM 624 CB VAL A 47 5.037 -2.775 2.360 1.00 0.00 C ATOM 625 CG1 VAL A 47 6.464 -3.073 1.887 1.00 0.00 C ATOM 626 CG2 VAL A 47 4.525 -1.576 1.551 1.00 0.00 C ATOM 0 H VAL A 47 2.660 -2.945 3.355 1.00 0.00 H new ATOM 0 HA VAL A 47 4.149 -4.343 1.208 1.00 0.00 H new ATOM 0 HB VAL A 47 5.052 -2.541 3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.078 -2.179 1.997 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.886 -3.879 2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.445 -3.374 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.216 -0.740 1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.454 -1.851 0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.541 -1.284 1.917 1.00 0.00 H new ATOM 636 N HIS A 48 5.614 -5.858 2.818 1.00 0.00 N ATOM 637 CA HIS A 48 6.281 -6.805 3.711 1.00 0.00 C ATOM 638 C HIS A 48 7.784 -6.616 3.570 1.00 0.00 C ATOM 639 O HIS A 48 8.430 -7.406 2.889 1.00 0.00 O ATOM 640 CB HIS A 48 5.901 -8.249 3.378 1.00 0.00 C ATOM 641 CG HIS A 48 4.509 -8.589 3.818 1.00 0.00 C ATOM 642 ND1 HIS A 48 4.127 -8.984 5.086 1.00 0.00 N ATOM 643 CD2 HIS A 48 3.396 -8.507 3.038 1.00 0.00 C ATOM 644 CE1 HIS A 48 2.791 -9.129 5.079 1.00 0.00 C ATOM 645 NE2 HIS A 48 2.334 -8.868 3.838 1.00 0.00 N ATOM 0 H HIS A 48 6.067 -5.777 1.908 1.00 0.00 H new ATOM 0 HA HIS A 48 5.965 -6.613 4.737 1.00 0.00 H new ATOM 0 HB2 HIS A 48 5.988 -8.406 2.303 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.607 -8.927 3.857 1.00 0.00 H new ATOM 0 HD1 HIS A 48 4.746 -9.137 5.882 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.354 -8.217 1.999 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.184 -9.408 5.927 1.00 0.00 H new ATOM 653 N GLU A 49 8.332 -5.563 4.180 1.00 0.00 N ATOM 654 CA GLU A 49 9.724 -5.184 3.959 1.00 0.00 C ATOM 655 C GLU A 49 10.260 -4.433 5.186 1.00 0.00 C ATOM 656 O GLU A 49 9.695 -4.575 6.269 1.00 0.00 O ATOM 657 CB GLU A 49 9.800 -4.384 2.643 1.00 0.00 C ATOM 658 CG GLU A 49 11.006 -4.747 1.773 1.00 0.00 C ATOM 659 CD GLU A 49 10.963 -6.184 1.256 1.00 0.00 C ATOM 660 OE1 GLU A 49 10.215 -6.484 0.294 1.00 0.00 O ATOM 661 OE2 GLU A 49 11.735 -6.999 1.803 1.00 0.00 O ATOM 0 H GLU A 49 7.830 -4.959 4.831 1.00 0.00 H new ATOM 0 HA GLU A 49 10.370 -6.055 3.846 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.887 -4.553 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.838 -3.320 2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.053 -4.064 0.925 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.919 -4.602 2.350 1.00 0.00 H new ATOM 666 N SER A 50 11.325 -3.637 5.033 1.00 0.00 N ATOM 667 CA SER A 50 11.959 -2.908 6.131 1.00 0.00 C ATOM 668 C SER A 50 11.563 -1.428 6.103 1.00 0.00 C ATOM 669 O SER A 50 11.722 -0.755 5.083 1.00 0.00 O ATOM 670 CB SER A 50 13.481 -3.063 6.058 1.00 0.00 C ATOM 671 OG SER A 50 13.814 -4.424 5.865 1.00 0.00 O ATOM 0 H SER A 50 11.774 -3.481 4.131 1.00 0.00 H new ATOM 0 HA SER A 50 11.611 -3.331 7.073 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.878 -2.462 5.240 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.938 -2.694 6.976 1.00 0.00 H new ATOM 0 HG SER A 50 14.788 -4.519 5.817 1.00 0.00 H new ATOM 676 N LEU A 51 11.063 -0.914 7.234 1.00 0.00 N ATOM 677 CA LEU A 51 10.545 0.446 7.369 1.00 0.00 C ATOM 678 C LEU A 51 11.528 1.479 6.819 1.00 0.00 C ATOM 679 O LEU A 51 11.177 2.285 5.963 1.00 0.00 O ATOM 680 CB LEU A 51 10.201 0.703 8.845 1.00 0.00 C ATOM 681 CG LEU A 51 9.551 2.071 9.110 1.00 0.00 C ATOM 682 CD1 LEU A 51 8.171 2.184 8.451 1.00 0.00 C ATOM 683 CD2 LEU A 51 9.397 2.267 10.622 1.00 0.00 C ATOM 0 H LEU A 51 11.008 -1.449 8.100 1.00 0.00 H new ATOM 0 HA LEU A 51 9.638 0.549 6.773 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.527 -0.080 9.191 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.112 0.625 9.438 1.00 0.00 H new ATOM 0 HG LEU A 51 10.195 2.838 8.681 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.746 3.165 8.662 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.271 2.056 7.373 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.514 1.411 8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.937 3.235 10.818 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.767 1.476 11.029 1.00 0.00 H new ATOM 0 HD23 LEU A 51 10.378 2.229 11.096 1.00 0.00 H new ATOM 694 N ALA A 52 12.776 1.434 7.291 1.00 0.00 N ATOM 695 CA ALA A 52 13.818 2.348 6.845 1.00 0.00 C ATOM 696 C ALA A 52 14.035 2.276 5.329 1.00 0.00 C ATOM 697 O ALA A 52 14.364 3.285 4.707 1.00 0.00 O ATOM 698 CB ALA A 52 15.118 2.041 7.592 1.00 0.00 C ATOM 0 H ALA A 52 13.088 0.762 7.992 1.00 0.00 H new ATOM 0 HA ALA A 52 13.498 3.365 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.899 2.725 7.259 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.960 2.165 8.663 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.422 1.015 7.386 1.00 0.00 H new ATOM 704 N ASP A 53 13.857 1.095 4.730 1.00 0.00 N ATOM 705 CA ASP A 53 14.049 0.937 3.294 1.00 0.00 C ATOM 706 C ASP A 53 12.891 1.612 2.562 1.00 0.00 C ATOM 707 O ASP A 53 13.109 2.470 1.712 1.00 0.00 O ATOM 708 CB ASP A 53 14.213 -0.539 2.906 1.00 0.00 C ATOM 709 CG ASP A 53 14.969 -0.689 1.592 1.00 0.00 C ATOM 710 OD1 ASP A 53 14.866 0.192 0.709 1.00 0.00 O ATOM 711 OD2 ASP A 53 15.756 -1.653 1.465 1.00 0.00 O ATOM 0 H ASP A 53 13.582 0.242 5.217 1.00 0.00 H new ATOM 0 HA ASP A 53 14.977 1.424 2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.746 -1.067 3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.231 -1.005 2.818 1.00 0.00 H new ATOM 715 N VAL A 54 11.650 1.299 2.948 1.00 0.00 N ATOM 716 CA VAL A 54 10.474 2.000 2.425 1.00 0.00 C ATOM 717 C VAL A 54 10.631 3.514 2.579 1.00 0.00 C ATOM 718 O VAL A 54 10.314 4.270 1.662 1.00 0.00 O ATOM 719 CB VAL A 54 9.182 1.476 3.073 1.00 0.00 C ATOM 720 CG1 VAL A 54 7.970 2.287 2.587 1.00 0.00 C ATOM 721 CG2 VAL A 54 8.992 -0.001 2.704 1.00 0.00 C ATOM 0 H VAL A 54 11.434 0.564 3.621 1.00 0.00 H new ATOM 0 HA VAL A 54 10.395 1.793 1.358 1.00 0.00 H new ATOM 0 HB VAL A 54 9.262 1.580 4.155 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.064 1.903 3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.102 3.335 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.884 2.199 1.504 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.077 -0.376 3.162 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.922 -0.099 1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.842 -0.579 3.067 1.00 0.00 H new ATOM 731 N LYS A 55 11.149 3.967 3.721 1.00 0.00 N ATOM 732 CA LYS A 55 11.460 5.370 3.906 1.00 0.00 C ATOM 733 C LYS A 55 12.431 5.837 2.816 1.00 0.00 C ATOM 734 O LYS A 55 12.130 6.770 2.071 1.00 0.00 O ATOM 735 CB LYS A 55 11.961 5.615 5.331 1.00 0.00 C ATOM 736 CG LYS A 55 12.092 7.111 5.640 1.00 0.00 C ATOM 737 CD LYS A 55 13.503 7.644 5.327 1.00 0.00 C ATOM 738 CE LYS A 55 13.817 8.972 6.031 1.00 0.00 C ATOM 739 NZ LYS A 55 13.934 8.826 7.497 1.00 0.00 N ATOM 0 H LYS A 55 11.359 3.377 4.526 1.00 0.00 H new ATOM 0 HA LYS A 55 10.561 5.976 3.795 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.274 5.156 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.928 5.130 5.464 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.357 7.667 5.058 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.864 7.285 6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.240 6.899 5.625 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.603 7.778 4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.748 9.377 5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.033 9.694 5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.342 9.693 7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.992 8.663 7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.551 8.018 7.717 1.00 0.00 H new ATOM 749 N ALA A 56 13.590 5.178 2.717 1.00 0.00 N ATOM 750 CA ALA A 56 14.618 5.489 1.732 1.00 0.00 C ATOM 751 C ALA A 56 14.044 5.577 0.317 1.00 0.00 C ATOM 752 O ALA A 56 14.348 6.529 -0.396 1.00 0.00 O ATOM 753 CB ALA A 56 15.760 4.471 1.809 1.00 0.00 C ATOM 0 H ALA A 56 13.839 4.402 3.331 1.00 0.00 H new ATOM 0 HA ALA A 56 15.020 6.474 1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.519 4.718 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.204 4.497 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.371 3.472 1.611 1.00 0.00 H new ATOM 759 N VAL A 57 13.209 4.610 -0.085 1.00 0.00 N ATOM 760 CA VAL A 57 12.522 4.590 -1.372 1.00 0.00 C ATOM 761 C VAL A 57 11.919 5.958 -1.717 1.00 0.00 C ATOM 762 O VAL A 57 12.077 6.420 -2.847 1.00 0.00 O ATOM 763 CB VAL A 57 11.481 3.455 -1.431 1.00 0.00 C ATOM 764 CG1 VAL A 57 10.553 3.621 -2.640 1.00 0.00 C ATOM 765 CG2 VAL A 57 12.169 2.085 -1.513 1.00 0.00 C ATOM 0 H VAL A 57 12.990 3.800 0.496 1.00 0.00 H new ATOM 0 HA VAL A 57 13.265 4.380 -2.141 1.00 0.00 H new ATOM 0 HB VAL A 57 10.891 3.509 -0.516 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.829 2.807 -2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 57 10.027 4.573 -2.567 1.00 0.00 H new ATOM 0 HG13 VAL A 57 11.143 3.601 -3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.414 1.300 -1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.786 2.041 -2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.796 1.940 -0.633 1.00 0.00 H new ATOM 775 N CYS A 58 11.250 6.634 -0.777 1.00 0.00 N ATOM 776 CA CYS A 58 10.654 7.928 -1.110 1.00 0.00 C ATOM 777 C CYS A 58 11.721 8.942 -1.509 1.00 0.00 C ATOM 778 O CYS A 58 11.467 9.806 -2.338 1.00 0.00 O ATOM 779 CB CYS A 58 9.724 8.441 -0.007 1.00 0.00 C ATOM 780 SG CYS A 58 10.105 10.002 0.835 1.00 0.00 S ATOM 0 H CYS A 58 11.111 6.321 0.184 1.00 0.00 H new ATOM 0 HA CYS A 58 10.018 7.781 -1.983 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.728 8.539 -0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.665 7.665 0.756 1.00 0.00 H new ATOM 784 N SER A 59 12.935 8.809 -0.977 1.00 0.00 N ATOM 785 CA SER A 59 14.052 9.670 -1.323 1.00 0.00 C ATOM 786 C SER A 59 14.919 9.058 -2.435 1.00 0.00 C ATOM 787 O SER A 59 16.068 9.473 -2.572 1.00 0.00 O ATOM 788 CB SER A 59 14.876 9.912 -0.050 1.00 0.00 C ATOM 789 OG SER A 59 15.578 11.136 -0.152 1.00 0.00 O ATOM 0 H SER A 59 13.167 8.093 -0.289 1.00 0.00 H new ATOM 0 HA SER A 59 13.676 10.616 -1.713 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.219 9.932 0.820 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.578 9.092 0.100 1.00 0.00 H new ATOM 0 HG SER A 59 16.071 11.161 -0.999 1.00 0.00 H new ATOM 794 N GLN A 60 14.413 8.069 -3.189 1.00 0.00 N ATOM 795 CA GLN A 60 15.211 7.274 -4.118 1.00 0.00 C ATOM 796 C GLN A 60 15.041 7.780 -5.559 1.00 0.00 C ATOM 797 O GLN A 60 15.610 8.809 -5.913 1.00 0.00 O ATOM 798 CB GLN A 60 14.878 5.794 -3.895 1.00 0.00 C ATOM 799 CG GLN A 60 15.891 4.821 -4.504 1.00 0.00 C ATOM 800 CD GLN A 60 17.182 4.719 -3.696 1.00 0.00 C ATOM 801 OE1 GLN A 60 18.261 4.988 -4.210 1.00 0.00 O ATOM 802 NE2 GLN A 60 17.089 4.312 -2.433 1.00 0.00 N ATOM 0 H GLN A 60 13.429 7.801 -3.166 1.00 0.00 H new ATOM 0 HA GLN A 60 16.278 7.386 -3.928 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.811 5.606 -2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.895 5.587 -4.317 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.437 3.833 -4.579 1.00 0.00 H new ATOM 0 HG3 GLN A 60 16.128 5.141 -5.519 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.176 4.095 -2.033 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.931 4.217 -1.865 1.00 0.00 H new ATOM 809 N LYS A 61 14.260 7.083 -6.397 1.00 0.00 N ATOM 810 CA LYS A 61 14.098 7.399 -7.811 1.00 0.00 C ATOM 811 C LYS A 61 12.680 7.911 -8.086 1.00 0.00 C ATOM 812 O LYS A 61 11.755 7.110 -8.213 1.00 0.00 O ATOM 813 CB LYS A 61 14.414 6.137 -8.624 1.00 0.00 C ATOM 814 CG LYS A 61 14.446 6.422 -10.133 1.00 0.00 C ATOM 815 CD LYS A 61 14.783 5.163 -10.947 1.00 0.00 C ATOM 816 CE LYS A 61 13.637 4.141 -10.895 1.00 0.00 C ATOM 817 NZ LYS A 61 13.871 2.985 -11.782 1.00 0.00 N ATOM 0 H LYS A 61 13.717 6.272 -6.100 1.00 0.00 H new ATOM 0 HA LYS A 61 14.784 8.194 -8.105 1.00 0.00 H new ATOM 0 HB2 LYS A 61 15.377 5.734 -8.310 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.665 5.373 -8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.478 6.811 -10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.184 7.197 -10.341 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.980 5.439 -11.983 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.695 4.710 -10.559 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.514 3.790 -9.871 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.705 4.630 -11.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.990 2.441 -11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.179 3.321 -12.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.609 2.377 -11.373 1.00 0.00 H new ATOM 827 N LYS A 62 12.517 9.231 -8.217 1.00 0.00 N ATOM 828 CA LYS A 62 11.262 9.874 -8.601 1.00 0.00 C ATOM 829 C LYS A 62 10.801 9.300 -9.948 1.00 0.00 C ATOM 830 O LYS A 62 11.602 9.234 -10.881 1.00 0.00 O ATOM 831 CB LYS A 62 11.502 11.396 -8.682 1.00 0.00 C ATOM 832 CG LYS A 62 10.254 12.292 -8.592 1.00 0.00 C ATOM 833 CD LYS A 62 9.269 12.097 -9.754 1.00 0.00 C ATOM 834 CE LYS A 62 8.256 13.239 -9.908 1.00 0.00 C ATOM 835 NZ LYS A 62 8.846 14.442 -10.531 1.00 0.00 N ATOM 0 H LYS A 62 13.274 9.896 -8.055 1.00 0.00 H new ATOM 0 HA LYS A 62 10.478 9.684 -7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.183 11.678 -7.879 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.010 11.612 -9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.739 12.089 -7.653 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.568 13.335 -8.565 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.832 11.996 -10.682 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.728 11.162 -9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.416 12.896 -10.513 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.857 13.500 -8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.120 15.183 -10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.630 14.789 -9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.203 14.203 -11.478 1.00 0.00 H new ATOM 845 N VAL A 63 9.529 8.902 -10.065 1.00 0.00 N ATOM 846 CA VAL A 63 8.909 8.539 -11.336 1.00 0.00 C ATOM 847 C VAL A 63 7.610 9.328 -11.501 1.00 0.00 C ATOM 848 O VAL A 63 6.977 9.706 -10.519 1.00 0.00 O ATOM 849 CB VAL A 63 8.684 7.018 -11.447 1.00 0.00 C ATOM 850 CG1 VAL A 63 10.023 6.271 -11.399 1.00 0.00 C ATOM 851 CG2 VAL A 63 7.732 6.453 -10.382 1.00 0.00 C ATOM 0 H VAL A 63 8.897 8.823 -9.268 1.00 0.00 H new ATOM 0 HA VAL A 63 9.583 8.801 -12.151 1.00 0.00 H new ATOM 0 HB VAL A 63 8.201 6.858 -12.411 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.844 5.199 -11.479 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.651 6.597 -12.228 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.526 6.486 -10.456 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.623 5.378 -10.525 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.139 6.648 -9.390 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.757 6.932 -10.475 1.00 0.00 H new ATOM 861 N THR A 64 7.220 9.619 -12.740 1.00 0.00 N ATOM 862 CA THR A 64 5.962 10.289 -13.020 1.00 0.00 C ATOM 863 C THR A 64 4.832 9.269 -12.874 1.00 0.00 C ATOM 864 O THR A 64 4.619 8.464 -13.779 1.00 0.00 O ATOM 865 CB THR A 64 6.023 10.893 -14.430 1.00 0.00 C ATOM 866 OG1 THR A 64 7.204 11.667 -14.540 1.00 0.00 O ATOM 867 CG2 THR A 64 4.810 11.786 -14.715 1.00 0.00 C ATOM 0 H THR A 64 7.767 9.396 -13.571 1.00 0.00 H new ATOM 0 HA THR A 64 5.777 11.104 -12.321 1.00 0.00 H new ATOM 0 HB THR A 64 6.020 10.079 -15.155 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.257 12.058 -15.437 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.888 12.196 -15.722 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.897 11.196 -14.633 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.781 12.602 -13.993 1.00 0.00 H new ATOM 875 N CYS A 65 4.126 9.282 -11.740 1.00 0.00 N ATOM 876 CA CYS A 65 2.948 8.437 -11.566 1.00 0.00 C ATOM 877 C CYS A 65 1.879 8.782 -12.603 1.00 0.00 C ATOM 878 O CYS A 65 1.915 9.844 -13.222 1.00 0.00 O ATOM 879 CB CYS A 65 2.393 8.520 -10.139 1.00 0.00 C ATOM 880 SG CYS A 65 3.219 7.373 -9.020 1.00 0.00 S ATOM 0 H CYS A 65 4.350 9.866 -10.934 1.00 0.00 H new ATOM 0 HA CYS A 65 3.254 7.403 -11.726 1.00 0.00 H new ATOM 0 HB2 CYS A 65 2.509 9.537 -9.765 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.324 8.305 -10.153 1.00 0.00 H new ATOM 884 N LYS A 66 0.932 7.862 -12.809 1.00 0.00 N ATOM 885 CA LYS A 66 -0.065 7.958 -13.869 1.00 0.00 C ATOM 886 C LYS A 66 -0.918 9.227 -13.752 1.00 0.00 C ATOM 887 O LYS A 66 -1.404 9.739 -14.758 1.00 0.00 O ATOM 888 CB LYS A 66 -0.938 6.698 -13.850 1.00 0.00 C ATOM 889 CG LYS A 66 -1.768 6.560 -15.136 1.00 0.00 C ATOM 890 CD LYS A 66 -2.685 5.330 -15.110 1.00 0.00 C ATOM 891 CE LYS A 66 -3.848 5.516 -14.124 1.00 0.00 C ATOM 892 NZ LYS A 66 -4.805 4.392 -14.174 1.00 0.00 N ATOM 0 H LYS A 66 0.839 7.023 -12.237 1.00 0.00 H new ATOM 0 HA LYS A 66 0.453 8.029 -14.825 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.305 5.819 -13.730 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.605 6.731 -12.989 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.372 7.457 -15.274 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.097 6.492 -15.993 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.080 5.148 -16.110 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.107 4.449 -14.830 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.453 5.611 -13.112 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.370 6.446 -14.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.573 4.559 -13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.202 4.317 -15.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.314 3.507 -13.932 1.00 0.00 H new ATOM 902 N ASP A 67 -1.120 9.720 -12.528 1.00 0.00 N ATOM 903 CA ASP A 67 -1.851 10.949 -12.255 1.00 0.00 C ATOM 904 C ASP A 67 -1.059 12.194 -12.676 1.00 0.00 C ATOM 905 O ASP A 67 -1.617 13.287 -12.739 1.00 0.00 O ATOM 906 CB ASP A 67 -2.211 10.999 -10.761 1.00 0.00 C ATOM 907 CG ASP A 67 -1.005 11.157 -9.840 1.00 0.00 C ATOM 908 OD1 ASP A 67 0.129 10.918 -10.315 1.00 0.00 O ATOM 909 OD2 ASP A 67 -1.234 11.523 -8.668 1.00 0.00 O ATOM 0 H ASP A 67 -0.771 9.263 -11.685 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.765 10.949 -12.849 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.897 11.828 -10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.742 10.085 -10.494 1.00 0.00 H new ATOM 913 N GLY A 68 0.241 12.047 -12.944 1.00 0.00 N ATOM 914 CA GLY A 68 1.150 13.154 -13.167 1.00 0.00 C ATOM 915 C GLY A 68 1.238 14.028 -11.917 1.00 0.00 C ATOM 916 O GLY A 68 1.425 15.240 -12.021 1.00 0.00 O ATOM 0 H GLY A 68 0.691 11.134 -13.011 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.139 12.775 -13.424 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.807 13.750 -14.013 1.00 0.00 H new ATOM 919 N GLN A 69 1.101 13.435 -10.727 1.00 0.00 N ATOM 920 CA GLN A 69 1.069 14.164 -9.472 1.00 0.00 C ATOM 921 C GLN A 69 1.613 13.260 -8.353 1.00 0.00 C ATOM 922 O GLN A 69 2.532 12.476 -8.587 1.00 0.00 O ATOM 923 CB GLN A 69 -0.363 14.693 -9.235 1.00 0.00 C ATOM 924 CG GLN A 69 -0.397 16.010 -8.442 1.00 0.00 C ATOM 925 CD GLN A 69 -0.409 17.269 -9.312 1.00 0.00 C ATOM 926 OE1 GLN A 69 -0.974 18.281 -8.909 1.00 0.00 O ATOM 927 NE2 GLN A 69 0.199 17.250 -10.493 1.00 0.00 N ATOM 0 H GLN A 69 1.009 12.425 -10.615 1.00 0.00 H new ATOM 0 HA GLN A 69 1.716 15.041 -9.491 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.852 14.843 -10.197 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.938 13.938 -8.699 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.282 16.014 -7.805 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.470 16.046 -7.783 1.00 0.00 H new ATOM 0 HE21 GLN A 69 0.664 16.401 -10.814 1.00 0.00 H new ATOM 0 HE22 GLN A 69 0.201 18.085 -11.079 1.00 0.00 H new ATOM 934 N THR A 70 1.105 13.435 -7.126 1.00 0.00 N ATOM 935 CA THR A 70 1.456 12.715 -5.903 1.00 0.00 C ATOM 936 C THR A 70 2.960 12.442 -5.712 1.00 0.00 C ATOM 937 O THR A 70 3.305 11.457 -5.060 1.00 0.00 O ATOM 938 CB THR A 70 0.558 11.467 -5.741 1.00 0.00 C ATOM 939 OG1 THR A 70 0.655 10.994 -4.411 1.00 0.00 O ATOM 940 CG2 THR A 70 0.890 10.302 -6.681 1.00 0.00 C ATOM 0 H THR A 70 0.385 14.136 -6.954 1.00 0.00 H new ATOM 0 HA THR A 70 1.244 13.388 -5.072 1.00 0.00 H new ATOM 0 HB THR A 70 -0.447 11.800 -5.999 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.570 11.124 -4.084 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.206 9.475 -6.491 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.786 10.628 -7.716 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.914 9.973 -6.506 1.00 0.00 H new ATOM 948 N ASN A 71 3.818 13.335 -6.237 1.00 0.00 N ATOM 949 CA ASN A 71 5.283 13.277 -6.304 1.00 0.00 C ATOM 950 C ASN A 71 5.869 11.947 -5.820 1.00 0.00 C ATOM 951 O ASN A 71 6.368 11.824 -4.698 1.00 0.00 O ATOM 952 CB ASN A 71 5.913 14.508 -5.639 1.00 0.00 C ATOM 953 CG ASN A 71 5.684 14.558 -4.134 1.00 0.00 C ATOM 954 OD1 ASN A 71 4.550 14.628 -3.674 1.00 0.00 O ATOM 955 ND2 ASN A 71 6.759 14.547 -3.354 1.00 0.00 N ATOM 0 H ASN A 71 3.468 14.193 -6.663 1.00 0.00 H new ATOM 0 HA ASN A 71 5.555 13.312 -7.359 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.985 14.512 -5.838 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.501 15.409 -6.093 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.654 14.598 -2.341 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.689 14.488 -3.768 1.00 0.00 H new ATOM 961 N CYS A 72 5.783 10.945 -6.698 1.00 0.00 N ATOM 962 CA CYS A 72 6.035 9.558 -6.352 1.00 0.00 C ATOM 963 C CYS A 72 7.391 9.051 -6.825 1.00 0.00 C ATOM 964 O CYS A 72 7.998 9.597 -7.746 1.00 0.00 O ATOM 965 CB CYS A 72 4.899 8.688 -6.876 1.00 0.00 C ATOM 966 SG CYS A 72 5.048 8.254 -8.617 1.00 0.00 S ATOM 0 H CYS A 72 5.533 11.083 -7.677 1.00 0.00 H new ATOM 0 HA CYS A 72 6.070 9.495 -5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.856 7.772 -6.287 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.955 9.211 -6.722 1.00 0.00 H new ATOM 970 N TYR A 73 7.882 8.020 -6.138 1.00 0.00 N ATOM 971 CA TYR A 73 9.193 7.432 -6.311 1.00 0.00 C ATOM 972 C TYR A 73 9.038 5.917 -6.382 1.00 0.00 C ATOM 973 O TYR A 73 8.227 5.341 -5.655 1.00 0.00 O ATOM 974 CB TYR A 73 10.107 7.823 -5.141 1.00 0.00 C ATOM 975 CG TYR A 73 10.594 9.263 -5.125 1.00 0.00 C ATOM 976 CD1 TYR A 73 9.700 10.324 -4.908 1.00 0.00 C ATOM 977 CD2 TYR A 73 11.969 9.537 -5.196 1.00 0.00 C ATOM 978 CE1 TYR A 73 10.162 11.650 -4.883 1.00 0.00 C ATOM 979 CE2 TYR A 73 12.445 10.858 -5.142 1.00 0.00 C ATOM 980 CZ TYR A 73 11.536 11.915 -4.975 1.00 0.00 C ATOM 981 OH TYR A 73 11.975 13.206 -4.965 1.00 0.00 O ATOM 0 H TYR A 73 7.341 7.554 -5.410 1.00 0.00 H new ATOM 0 HA TYR A 73 9.647 7.799 -7.231 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.574 7.631 -4.210 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.977 7.167 -5.151 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.650 10.119 -4.759 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.670 8.722 -5.293 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.459 12.465 -4.793 1.00 0.00 H new ATOM 0 HE2 TYR A 73 13.503 11.059 -5.228 1.00 0.00 H new ATOM 0 HH TYR A 73 12.952 13.220 -5.035 1.00 0.00 H new ATOM 990 N GLN A 74 9.816 5.297 -7.271 1.00 0.00 N ATOM 991 CA GLN A 74 9.835 3.865 -7.516 1.00 0.00 C ATOM 992 C GLN A 74 10.916 3.215 -6.658 1.00 0.00 C ATOM 993 O GLN A 74 12.049 3.696 -6.612 1.00 0.00 O ATOM 994 CB GLN A 74 10.090 3.617 -9.011 1.00 0.00 C ATOM 995 CG GLN A 74 10.242 2.129 -9.345 1.00 0.00 C ATOM 996 CD GLN A 74 10.359 1.881 -10.844 1.00 0.00 C ATOM 997 OE1 GLN A 74 11.459 1.904 -11.395 1.00 0.00 O ATOM 998 NE2 GLN A 74 9.244 1.630 -11.521 1.00 0.00 N ATOM 0 H GLN A 74 10.475 5.805 -7.861 1.00 0.00 H new ATOM 0 HA GLN A 74 8.876 3.422 -7.247 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.266 4.033 -9.590 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.992 4.148 -9.315 1.00 0.00 H new ATOM 0 HG2 GLN A 74 11.126 1.735 -8.844 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.384 1.582 -8.954 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.346 1.617 -11.038 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.286 1.450 -12.524 1.00 0.00 H new ATOM 1005 N SER A 75 10.580 2.098 -6.009 1.00 0.00 N ATOM 1006 CA SER A 75 11.546 1.317 -5.257 1.00 0.00 C ATOM 1007 C SER A 75 12.661 0.783 -6.161 1.00 0.00 C ATOM 1008 O SER A 75 12.408 0.359 -7.288 1.00 0.00 O ATOM 1009 CB SER A 75 10.814 0.220 -4.479 1.00 0.00 C ATOM 1010 OG SER A 75 10.203 -0.719 -5.339 1.00 0.00 O ATOM 0 H SER A 75 9.634 1.717 -5.994 1.00 0.00 H new ATOM 0 HA SER A 75 12.049 1.955 -4.531 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.519 -0.293 -3.824 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.056 0.673 -3.839 1.00 0.00 H new ATOM 0 HG SER A 75 10.856 -1.404 -5.593 1.00 0.00 H new ATOM 1015 N LYS A 76 13.898 0.816 -5.650 1.00 0.00 N ATOM 1016 CA LYS A 76 15.105 0.391 -6.348 1.00 0.00 C ATOM 1017 C LYS A 76 14.910 -0.955 -7.050 1.00 0.00 C ATOM 1018 O LYS A 76 15.152 -1.095 -8.247 1.00 0.00 O ATOM 1019 CB LYS A 76 16.286 0.380 -5.363 1.00 0.00 C ATOM 1020 CG LYS A 76 16.072 -0.506 -4.129 1.00 0.00 C ATOM 1021 CD LYS A 76 16.976 -0.095 -2.958 1.00 0.00 C ATOM 1022 CE LYS A 76 16.842 -1.138 -1.835 1.00 0.00 C ATOM 1023 NZ LYS A 76 17.032 -0.572 -0.487 1.00 0.00 N ATOM 0 H LYS A 76 14.086 1.152 -4.706 1.00 0.00 H new ATOM 0 HA LYS A 76 15.330 1.105 -7.141 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.179 0.041 -5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.478 1.401 -5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.029 -0.448 -3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.269 -1.545 -4.391 1.00 0.00 H new ATOM 0 HD2 LYS A 76 18.013 -0.027 -3.288 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.693 0.892 -2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 76 15.856 -1.599 -1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.573 -1.930 -1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.913 -1.321 0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.989 -0.171 -0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 16.329 0.177 -0.323 1.00 0.00 H new ATOM 1033 N SER A 77 14.464 -1.938 -6.275 1.00 0.00 N ATOM 1034 CA SER A 77 14.220 -3.301 -6.683 1.00 0.00 C ATOM 1035 C SER A 77 12.720 -3.555 -6.591 1.00 0.00 C ATOM 1036 O SER A 77 11.948 -2.654 -6.253 1.00 0.00 O ATOM 1037 CB SER A 77 14.979 -4.179 -5.681 1.00 0.00 C ATOM 1038 OG SER A 77 14.541 -3.881 -4.362 1.00 0.00 O ATOM 0 H SER A 77 14.253 -1.787 -5.288 1.00 0.00 H new ATOM 0 HA SER A 77 14.547 -3.510 -7.701 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.809 -5.233 -5.903 1.00 0.00 H new ATOM 0 HB3 SER A 77 16.051 -4.004 -5.768 1.00 0.00 H new ATOM 0 HG SER A 77 13.709 -4.365 -4.176 1.00 0.00 H new ATOM 1043 N THR A 78 12.300 -4.788 -6.860 1.00 0.00 N ATOM 1044 CA THR A 78 10.992 -5.232 -6.435 1.00 0.00 C ATOM 1045 C THR A 78 11.034 -5.296 -4.903 1.00 0.00 C ATOM 1046 O THR A 78 12.113 -5.471 -4.330 1.00 0.00 O ATOM 1047 CB THR A 78 10.721 -6.597 -7.077 1.00 0.00 C ATOM 1048 OG1 THR A 78 11.879 -7.402 -6.956 1.00 0.00 O ATOM 1049 CG2 THR A 78 10.448 -6.411 -8.573 1.00 0.00 C ATOM 0 H THR A 78 12.846 -5.486 -7.366 1.00 0.00 H new ATOM 0 HA THR A 78 10.186 -4.565 -6.740 1.00 0.00 H new ATOM 0 HB THR A 78 9.867 -7.061 -6.583 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.713 -8.278 -7.363 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.255 -7.381 -9.031 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.579 -5.767 -8.707 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.316 -5.952 -9.047 1.00 0.00 H new ATOM 1057 N MET A 79 9.886 -5.118 -4.246 1.00 0.00 N ATOM 1058 CA MET A 79 9.700 -5.358 -2.828 1.00 0.00 C ATOM 1059 C MET A 79 8.400 -6.139 -2.681 1.00 0.00 C ATOM 1060 O MET A 79 7.603 -6.185 -3.620 1.00 0.00 O ATOM 1061 CB MET A 79 9.631 -4.036 -2.056 1.00 0.00 C ATOM 1062 CG MET A 79 10.946 -3.248 -2.090 1.00 0.00 C ATOM 1063 SD MET A 79 12.396 -4.134 -1.458 1.00 0.00 S ATOM 1064 CE MET A 79 13.569 -2.777 -1.340 1.00 0.00 C ATOM 0 H MET A 79 9.037 -4.792 -4.709 1.00 0.00 H new ATOM 0 HA MET A 79 10.539 -5.920 -2.417 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.835 -3.420 -2.474 1.00 0.00 H new ATOM 0 HB3 MET A 79 9.365 -4.241 -1.019 1.00 0.00 H new ATOM 0 HG2 MET A 79 11.144 -2.948 -3.119 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.818 -2.334 -1.510 1.00 0.00 H new ATOM 0 HE1 MET A 79 14.479 -3.124 -0.850 1.00 0.00 H new ATOM 0 HE2 MET A 79 13.811 -2.417 -2.340 1.00 0.00 H new ATOM 0 HE3 MET A 79 13.130 -1.966 -0.759 1.00 0.00 H new ATOM 1072 N ARG A 80 8.209 -6.783 -1.532 1.00 0.00 N ATOM 1073 CA ARG A 80 7.094 -7.690 -1.308 1.00 0.00 C ATOM 1074 C ARG A 80 5.874 -6.889 -0.861 1.00 0.00 C ATOM 1075 O ARG A 80 5.972 -6.096 0.078 1.00 0.00 O ATOM 1076 CB ARG A 80 7.480 -8.732 -0.253 1.00 0.00 C ATOM 1077 CG ARG A 80 8.234 -9.924 -0.852 1.00 0.00 C ATOM 1078 CD ARG A 80 9.488 -9.564 -1.656 1.00 0.00 C ATOM 1079 NE ARG A 80 10.538 -8.944 -0.817 1.00 0.00 N ATOM 1080 CZ ARG A 80 11.838 -9.288 -0.812 1.00 0.00 C ATOM 1081 NH1 ARG A 80 12.319 -10.155 -1.712 1.00 0.00 N ATOM 1082 NH2 ARG A 80 12.673 -8.776 0.092 1.00 0.00 N ATOM 0 H ARG A 80 8.829 -6.687 -0.728 1.00 0.00 H new ATOM 0 HA ARG A 80 6.849 -8.213 -2.232 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.100 -8.260 0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.579 -9.090 0.246 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.521 -10.596 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.553 -10.477 -1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.886 -10.464 -2.125 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.217 -8.879 -2.459 1.00 0.00 H new ATOM 0 HE ARG A 80 10.251 -8.192 -0.190 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.697 -10.562 -2.411 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.307 -10.409 -1.699 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.328 -8.116 0.789 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.657 -9.044 0.087 1.00 0.00 H new ATOM 1093 N ILE A 81 4.723 -7.107 -1.506 1.00 0.00 N ATOM 1094 CA ILE A 81 3.459 -6.500 -1.125 1.00 0.00 C ATOM 1095 C ILE A 81 2.356 -7.550 -1.065 1.00 0.00 C ATOM 1096 O ILE A 81 2.416 -8.593 -1.713 1.00 0.00 O ATOM 1097 CB ILE A 81 3.052 -5.329 -2.044 1.00 0.00 C ATOM 1098 CG1 ILE A 81 2.985 -5.677 -3.538 1.00 0.00 C ATOM 1099 CG2 ILE A 81 3.897 -4.080 -1.807 1.00 0.00 C ATOM 1100 CD1 ILE A 81 4.319 -5.551 -4.284 1.00 0.00 C ATOM 0 H ILE A 81 4.650 -7.720 -2.318 1.00 0.00 H new ATOM 0 HA ILE A 81 3.602 -6.077 -0.131 1.00 0.00 H new ATOM 0 HB ILE A 81 2.026 -5.107 -1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.620 -6.699 -3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.253 -5.026 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 81 3.570 -3.286 -2.479 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.780 -3.752 -0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.945 -4.308 -1.999 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.176 -5.816 -5.332 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.679 -4.524 -4.215 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.051 -6.223 -3.836 1.00 0.00 H new ATOM 1111 N THR A 82 1.337 -7.236 -0.270 1.00 0.00 N ATOM 1112 CA THR A 82 0.092 -7.959 -0.152 1.00 0.00 C ATOM 1113 C THR A 82 -1.007 -7.022 -0.630 1.00 0.00 C ATOM 1114 O THR A 82 -1.398 -6.130 0.119 1.00 0.00 O ATOM 1115 CB THR A 82 -0.102 -8.352 1.319 1.00 0.00 C ATOM 1116 OG1 THR A 82 0.863 -9.308 1.697 1.00 0.00 O ATOM 1117 CG2 THR A 82 -1.472 -8.959 1.570 1.00 0.00 C ATOM 0 H THR A 82 1.369 -6.420 0.342 1.00 0.00 H new ATOM 0 HA THR A 82 0.078 -8.871 -0.748 1.00 0.00 H new ATOM 0 HB THR A 82 -0.001 -7.438 1.903 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.061 -9.213 2.652 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.566 -9.222 2.624 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.244 -8.236 1.306 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.590 -9.855 0.960 1.00 0.00 H new ATOM 1125 N ASP A 83 -1.500 -7.190 -1.858 1.00 0.00 N ATOM 1126 CA ASP A 83 -2.694 -6.478 -2.277 1.00 0.00 C ATOM 1127 C ASP A 83 -3.886 -7.018 -1.496 1.00 0.00 C ATOM 1128 O ASP A 83 -3.885 -8.199 -1.158 1.00 0.00 O ATOM 1129 CB ASP A 83 -2.916 -6.600 -3.784 1.00 0.00 C ATOM 1130 CG ASP A 83 -3.928 -5.548 -4.205 1.00 0.00 C ATOM 1131 OD1 ASP A 83 -3.602 -4.359 -3.991 1.00 0.00 O ATOM 1132 OD2 ASP A 83 -5.010 -5.953 -4.681 1.00 0.00 O ATOM 0 H ASP A 83 -1.095 -7.804 -2.565 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.573 -5.416 -2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.977 -6.458 -4.319 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.278 -7.597 -4.035 1.00 0.00 H new ATOM 1136 N CYS A 84 -4.862 -6.170 -1.174 1.00 0.00 N ATOM 1137 CA CYS A 84 -6.000 -6.493 -0.325 1.00 0.00 C ATOM 1138 C CYS A 84 -7.258 -5.851 -0.908 1.00 0.00 C ATOM 1139 O CYS A 84 -7.380 -4.627 -0.881 1.00 0.00 O ATOM 1140 CB CYS A 84 -5.755 -5.979 1.097 1.00 0.00 C ATOM 1141 SG CYS A 84 -7.133 -6.363 2.196 1.00 0.00 S ATOM 0 H CYS A 84 -4.880 -5.207 -1.510 1.00 0.00 H new ATOM 0 HA CYS A 84 -6.131 -7.574 -0.285 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.841 -6.423 1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.600 -4.900 1.072 1.00 0.00 H new ATOM 1145 N ARG A 85 -8.181 -6.650 -1.455 1.00 0.00 N ATOM 1146 CA ARG A 85 -9.322 -6.131 -2.203 1.00 0.00 C ATOM 1147 C ARG A 85 -10.630 -6.721 -1.693 1.00 0.00 C ATOM 1148 O ARG A 85 -10.630 -7.784 -1.078 1.00 0.00 O ATOM 1149 CB ARG A 85 -9.152 -6.462 -3.695 1.00 0.00 C ATOM 1150 CG ARG A 85 -10.127 -5.645 -4.552 1.00 0.00 C ATOM 1151 CD ARG A 85 -9.874 -5.714 -6.055 1.00 0.00 C ATOM 1152 NE ARG A 85 -10.998 -5.058 -6.743 1.00 0.00 N ATOM 1153 CZ ARG A 85 -11.170 -4.981 -8.070 1.00 0.00 C ATOM 1154 NH1 ARG A 85 -10.227 -5.459 -8.888 1.00 0.00 N ATOM 1155 NH2 ARG A 85 -12.285 -4.425 -8.561 1.00 0.00 N ATOM 0 H ARG A 85 -8.155 -7.668 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 85 -9.360 -5.051 -2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.128 -6.253 -4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.323 -7.526 -3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -11.141 -5.991 -4.353 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -10.079 -4.602 -4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.935 -5.220 -6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.784 -6.751 -6.378 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.710 -4.623 -6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.382 -5.880 -8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.352 -5.403 -9.899 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.997 -4.063 -7.926 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.422 -4.363 -9.570 1.00 0.00 H new ATOM 1166 N GLU A 86 -11.742 -6.081 -2.051 1.00 0.00 N ATOM 1167 CA GLU A 86 -13.077 -6.606 -1.856 1.00 0.00 C ATOM 1168 C GLU A 86 -13.379 -7.681 -2.911 1.00 0.00 C ATOM 1169 O GLU A 86 -13.064 -7.530 -4.092 1.00 0.00 O ATOM 1170 CB GLU A 86 -14.110 -5.470 -2.011 1.00 0.00 C ATOM 1171 CG GLU A 86 -14.016 -4.694 -3.343 1.00 0.00 C ATOM 1172 CD GLU A 86 -15.082 -3.621 -3.491 1.00 0.00 C ATOM 1173 OE1 GLU A 86 -15.946 -3.534 -2.591 1.00 0.00 O ATOM 1174 OE2 GLU A 86 -15.002 -2.902 -4.509 1.00 0.00 O ATOM 0 H GLU A 86 -11.731 -5.162 -2.494 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.138 -7.038 -0.857 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -15.111 -5.892 -1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.985 -4.768 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.032 -4.231 -3.417 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.101 -5.397 -4.172 1.00 0.00 H new ATOM 1179 N THR A 87 -13.986 -8.784 -2.484 1.00 0.00 N ATOM 1180 CA THR A 87 -14.672 -9.693 -3.393 1.00 0.00 C ATOM 1181 C THR A 87 -16.061 -9.099 -3.659 1.00 0.00 C ATOM 1182 O THR A 87 -16.437 -8.094 -3.055 1.00 0.00 O ATOM 1183 CB THR A 87 -14.768 -11.099 -2.785 1.00 0.00 C ATOM 1184 OG1 THR A 87 -15.572 -11.080 -1.627 1.00 0.00 O ATOM 1185 CG2 THR A 87 -13.386 -11.627 -2.408 1.00 0.00 C ATOM 0 H THR A 87 -14.016 -9.071 -1.506 1.00 0.00 H new ATOM 0 HA THR A 87 -14.122 -9.798 -4.328 1.00 0.00 H new ATOM 0 HB THR A 87 -15.212 -11.752 -3.536 1.00 0.00 H new ATOM 0 HG1 THR A 87 -15.625 -11.983 -1.251 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.482 -12.625 -1.979 1.00 0.00 H new ATOM 0 HG22 THR A 87 -12.759 -11.673 -3.298 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.929 -10.960 -1.677 1.00 0.00 H new ATOM 1193 N GLY A 88 -16.860 -9.720 -4.530 1.00 0.00 N ATOM 1194 CA GLY A 88 -18.205 -9.242 -4.835 1.00 0.00 C ATOM 1195 C GLY A 88 -19.205 -9.547 -3.714 1.00 0.00 C ATOM 1196 O GLY A 88 -20.243 -10.158 -3.966 1.00 0.00 O ATOM 0 H GLY A 88 -16.593 -10.562 -5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -18.174 -8.166 -5.007 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -18.550 -9.703 -5.760 1.00 0.00 H new ATOM 1199 N SER A 89 -18.911 -9.141 -2.476 1.00 0.00 N ATOM 1200 CA SER A 89 -19.778 -9.325 -1.315 1.00 0.00 C ATOM 1201 C SER A 89 -19.459 -8.305 -0.213 1.00 0.00 C ATOM 1202 O SER A 89 -19.758 -8.547 0.954 1.00 0.00 O ATOM 1203 CB SER A 89 -19.632 -10.757 -0.771 1.00 0.00 C ATOM 1204 OG SER A 89 -19.915 -11.734 -1.756 1.00 0.00 O ATOM 0 H SER A 89 -18.039 -8.662 -2.250 1.00 0.00 H new ATOM 0 HA SER A 89 -20.808 -9.164 -1.633 1.00 0.00 H new ATOM 0 HB2 SER A 89 -18.617 -10.901 -0.399 1.00 0.00 H new ATOM 0 HB3 SER A 89 -20.304 -10.892 0.076 1.00 0.00 H new ATOM 0 HG SER A 89 -19.809 -12.628 -1.370 1.00 0.00 H new ATOM 1209 N SER A 90 -18.841 -7.175 -0.565 1.00 0.00 N ATOM 1210 CA SER A 90 -18.333 -6.163 0.345 1.00 0.00 C ATOM 1211 C SER A 90 -19.477 -5.422 1.049 1.00 0.00 C ATOM 1212 O SER A 90 -19.925 -4.371 0.599 1.00 0.00 O ATOM 1213 CB SER A 90 -17.402 -5.256 -0.478 1.00 0.00 C ATOM 1214 OG SER A 90 -17.698 -5.350 -1.861 1.00 0.00 O ATOM 0 H SER A 90 -18.677 -6.936 -1.543 1.00 0.00 H new ATOM 0 HA SER A 90 -17.762 -6.601 1.163 1.00 0.00 H new ATOM 0 HB2 SER A 90 -17.510 -4.223 -0.148 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.364 -5.540 -0.304 1.00 0.00 H new ATOM 0 HG SER A 90 -17.167 -4.691 -2.355 1.00 0.00 H new ATOM 1219 N LYS A 91 -19.953 -5.984 2.165 1.00 0.00 N ATOM 1220 CA LYS A 91 -21.140 -5.539 2.880 1.00 0.00 C ATOM 1221 C LYS A 91 -20.780 -5.225 4.331 1.00 0.00 C ATOM 1222 O LYS A 91 -21.114 -6.000 5.220 1.00 0.00 O ATOM 1223 CB LYS A 91 -22.196 -6.654 2.813 1.00 0.00 C ATOM 1224 CG LYS A 91 -22.783 -6.790 1.402 1.00 0.00 C ATOM 1225 CD LYS A 91 -23.826 -7.915 1.312 1.00 0.00 C ATOM 1226 CE LYS A 91 -25.100 -7.592 2.111 1.00 0.00 C ATOM 1227 NZ LYS A 91 -26.153 -8.610 1.919 1.00 0.00 N ATOM 0 H LYS A 91 -19.503 -6.787 2.605 1.00 0.00 H new ATOM 0 HA LYS A 91 -21.540 -4.633 2.425 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -21.747 -7.600 3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -22.996 -6.442 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -23.243 -5.846 1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -21.978 -6.985 0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -24.087 -8.083 0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -23.391 -8.842 1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -24.854 -7.522 3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -25.480 -6.617 1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -26.992 -8.351 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -26.408 -8.660 0.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -25.801 -9.537 2.234 1.00 0.00 H new ATOM 1237 N TYR A 92 -20.133 -4.083 4.587 1.00 0.00 N ATOM 1238 CA TYR A 92 -19.717 -3.668 5.928 1.00 0.00 C ATOM 1239 C TYR A 92 -20.844 -3.904 6.948 1.00 0.00 C ATOM 1240 O TYR A 92 -21.975 -3.490 6.696 1.00 0.00 O ATOM 1241 CB TYR A 92 -19.353 -2.174 5.890 1.00 0.00 C ATOM 1242 CG TYR A 92 -19.171 -1.515 7.247 1.00 0.00 C ATOM 1243 CD1 TYR A 92 -20.280 -0.966 7.921 1.00 0.00 C ATOM 1244 CD2 TYR A 92 -17.894 -1.423 7.826 1.00 0.00 C ATOM 1245 CE1 TYR A 92 -20.119 -0.379 9.189 1.00 0.00 C ATOM 1246 CE2 TYR A 92 -17.725 -0.772 9.059 1.00 0.00 C ATOM 1247 CZ TYR A 92 -18.836 -0.264 9.748 1.00 0.00 C ATOM 1248 OH TYR A 92 -18.664 0.303 10.974 1.00 0.00 O ATOM 0 H TYR A 92 -19.881 -3.414 3.859 1.00 0.00 H new ATOM 0 HA TYR A 92 -18.854 -4.259 6.235 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -18.431 -2.056 5.321 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -20.133 -1.641 5.347 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -21.257 -0.996 7.462 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -17.041 -1.853 7.322 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -20.980 -0.018 9.731 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -16.736 -0.662 9.478 1.00 0.00 H new ATOM 0 HH TYR A 92 -18.065 1.075 10.896 1.00 0.00 H new ATOM 1257 N PRO A 93 -20.568 -4.553 8.093 1.00 0.00 N ATOM 1258 CA PRO A 93 -19.256 -4.979 8.575 1.00 0.00 C ATOM 1259 C PRO A 93 -18.755 -6.300 7.968 1.00 0.00 C ATOM 1260 O PRO A 93 -17.622 -6.691 8.243 1.00 0.00 O ATOM 1261 CB PRO A 93 -19.422 -5.115 10.086 1.00 0.00 C ATOM 1262 CG PRO A 93 -20.881 -5.524 10.244 1.00 0.00 C ATOM 1263 CD PRO A 93 -21.564 -4.727 9.135 1.00 0.00 C ATOM 0 HA PRO A 93 -18.501 -4.250 8.280 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.747 -5.865 10.499 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -19.209 -4.178 10.600 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -21.018 -6.598 10.117 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -21.271 -5.267 11.229 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -22.437 -5.257 8.755 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -21.913 -3.763 9.506 1.00 0.00 H new ATOM 1268 N ASN A 94 -19.546 -6.983 7.131 1.00 0.00 N ATOM 1269 CA ASN A 94 -19.090 -8.120 6.329 1.00 0.00 C ATOM 1270 C ASN A 94 -18.187 -7.594 5.206 1.00 0.00 C ATOM 1271 O ASN A 94 -18.528 -7.575 4.021 1.00 0.00 O ATOM 1272 CB ASN A 94 -20.284 -8.954 5.821 1.00 0.00 C ATOM 1273 CG ASN A 94 -20.614 -10.107 6.762 1.00 0.00 C ATOM 1274 OD1 ASN A 94 -20.724 -11.252 6.340 1.00 0.00 O ATOM 1275 ND2 ASN A 94 -20.773 -9.817 8.050 1.00 0.00 N ATOM 0 H ASN A 94 -20.531 -6.757 6.992 1.00 0.00 H new ATOM 0 HA ASN A 94 -18.501 -8.806 6.938 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -21.157 -8.310 5.715 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -20.056 -9.348 4.830 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -20.993 -10.558 8.716 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -20.675 -8.854 8.372 1.00 0.00 H new ATOM 1281 N CYS A 95 -17.007 -7.136 5.619 1.00 0.00 N ATOM 1282 CA CYS A 95 -15.972 -6.578 4.773 1.00 0.00 C ATOM 1283 C CYS A 95 -15.257 -7.725 4.082 1.00 0.00 C ATOM 1284 O CYS A 95 -14.288 -8.289 4.589 1.00 0.00 O ATOM 1285 CB CYS A 95 -15.027 -5.744 5.626 1.00 0.00 C ATOM 1286 SG CYS A 95 -15.783 -4.220 6.213 1.00 0.00 S ATOM 0 H CYS A 95 -16.741 -7.148 6.604 1.00 0.00 H new ATOM 0 HA CYS A 95 -16.390 -5.922 4.010 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -14.699 -6.335 6.481 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -14.137 -5.503 5.045 1.00 0.00 H new ATOM 1290 N ALA A 96 -15.777 -8.071 2.913 1.00 0.00 N ATOM 1291 CA ALA A 96 -15.436 -9.272 2.179 1.00 0.00 C ATOM 1292 C ALA A 96 -14.051 -9.164 1.535 1.00 0.00 C ATOM 1293 O ALA A 96 -13.937 -9.066 0.316 1.00 0.00 O ATOM 1294 CB ALA A 96 -16.526 -9.430 1.117 1.00 0.00 C ATOM 0 H ALA A 96 -16.473 -7.499 2.436 1.00 0.00 H new ATOM 0 HA ALA A 96 -15.389 -10.138 2.840 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -16.329 -10.323 0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -17.497 -9.525 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.530 -8.555 0.467 1.00 0.00 H new ATOM 1300 N TYR A 97 -12.990 -9.200 2.345 1.00 0.00 N ATOM 1301 CA TYR A 97 -11.641 -8.970 1.857 1.00 0.00 C ATOM 1302 C TYR A 97 -10.929 -10.258 1.409 1.00 0.00 C ATOM 1303 O TYR A 97 -11.002 -11.285 2.084 1.00 0.00 O ATOM 1304 CB TYR A 97 -10.819 -8.295 2.947 1.00 0.00 C ATOM 1305 CG TYR A 97 -11.060 -6.816 3.163 1.00 0.00 C ATOM 1306 CD1 TYR A 97 -10.492 -5.892 2.265 1.00 0.00 C ATOM 1307 CD2 TYR A 97 -11.590 -6.360 4.383 1.00 0.00 C ATOM 1308 CE1 TYR A 97 -10.351 -4.544 2.637 1.00 0.00 C ATOM 1309 CE2 TYR A 97 -11.553 -4.992 4.699 1.00 0.00 C ATOM 1310 CZ TYR A 97 -10.892 -4.088 3.851 1.00 0.00 C ATOM 1311 OH TYR A 97 -10.698 -2.797 4.255 1.00 0.00 O ATOM 0 H TYR A 97 -13.047 -9.388 3.346 1.00 0.00 H new ATOM 0 HA TYR A 97 -11.727 -8.331 0.978 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -11.011 -8.812 3.887 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.764 -8.437 2.715 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.164 -6.219 1.289 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.026 -7.062 5.078 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -9.826 -3.858 1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -12.034 -4.634 5.597 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.142 -2.654 5.117 1.00 0.00 H new ATOM 1320 N LYS A 98 -10.179 -10.168 0.304 1.00 0.00 N ATOM 1321 CA LYS A 98 -9.321 -11.197 -0.274 1.00 0.00 C ATOM 1322 C LYS A 98 -7.944 -10.562 -0.509 1.00 0.00 C ATOM 1323 O LYS A 98 -7.865 -9.478 -1.086 1.00 0.00 O ATOM 1324 CB LYS A 98 -9.987 -11.695 -1.573 1.00 0.00 C ATOM 1325 CG LYS A 98 -9.410 -12.940 -2.273 1.00 0.00 C ATOM 1326 CD LYS A 98 -7.948 -12.761 -2.682 1.00 0.00 C ATOM 1327 CE LYS A 98 -7.431 -13.796 -3.688 1.00 0.00 C ATOM 1328 NZ LYS A 98 -5.971 -13.650 -3.880 1.00 0.00 N ATOM 0 H LYS A 98 -10.158 -9.309 -0.246 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.188 -12.061 0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -11.035 -11.898 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.967 -10.874 -2.290 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.494 -13.798 -1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.006 -13.164 -3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.824 -11.766 -3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.327 -12.803 -1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.658 -14.801 -3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.943 -13.671 -4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.610 -14.457 -4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.775 -12.768 -4.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.500 -13.622 -2.953 1.00 0.00 H new ATOM 1338 N THR A 99 -6.868 -11.225 -0.059 1.00 0.00 N ATOM 1339 CA THR A 99 -5.488 -10.765 -0.213 1.00 0.00 C ATOM 1340 C THR A 99 -4.755 -11.505 -1.350 1.00 0.00 C ATOM 1341 O THR A 99 -5.040 -12.677 -1.611 1.00 0.00 O ATOM 1342 CB THR A 99 -4.752 -10.882 1.139 1.00 0.00 C ATOM 1343 OG1 THR A 99 -4.214 -9.645 1.536 1.00 0.00 O ATOM 1344 CG2 THR A 99 -3.585 -11.867 1.116 1.00 0.00 C ATOM 0 H THR A 99 -6.940 -12.116 0.433 1.00 0.00 H new ATOM 0 HA THR A 99 -5.498 -9.715 -0.507 1.00 0.00 H new ATOM 0 HB THR A 99 -5.515 -11.236 1.832 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.939 -9.046 1.812 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.115 -11.897 2.099 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.952 -12.860 0.858 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.853 -11.547 0.374 1.00 0.00 H new ATOM 1352 N THR A 100 -3.778 -10.860 -1.995 1.00 0.00 N ATOM 1353 CA THR A 100 -2.905 -11.454 -3.006 1.00 0.00 C ATOM 1354 C THR A 100 -1.468 -10.956 -2.784 1.00 0.00 C ATOM 1355 O THR A 100 -1.239 -9.751 -2.818 1.00 0.00 O ATOM 1356 CB THR A 100 -3.414 -11.059 -4.404 1.00 0.00 C ATOM 1357 OG1 THR A 100 -4.803 -11.333 -4.534 1.00 0.00 O ATOM 1358 CG2 THR A 100 -2.675 -11.827 -5.504 1.00 0.00 C ATOM 0 H THR A 100 -3.568 -9.877 -1.820 1.00 0.00 H new ATOM 0 HA THR A 100 -2.913 -12.541 -2.927 1.00 0.00 H new ATOM 0 HB THR A 100 -3.230 -9.990 -4.515 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.105 -11.073 -5.429 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.058 -11.525 -6.479 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.609 -11.606 -5.449 1.00 0.00 H new ATOM 0 HG23 THR A 100 -2.831 -12.897 -5.368 1.00 0.00 H new ATOM 1366 N GLN A 101 -0.499 -11.850 -2.557 1.00 0.00 N ATOM 1367 CA GLN A 101 0.909 -11.467 -2.439 1.00 0.00 C ATOM 1368 C GLN A 101 1.510 -11.312 -3.834 1.00 0.00 C ATOM 1369 O GLN A 101 1.296 -12.194 -4.664 1.00 0.00 O ATOM 1370 CB GLN A 101 1.679 -12.520 -1.626 1.00 0.00 C ATOM 1371 CG GLN A 101 3.027 -12.030 -1.057 1.00 0.00 C ATOM 1372 CD GLN A 101 4.145 -11.778 -2.073 1.00 0.00 C ATOM 1373 OE1 GLN A 101 4.894 -10.815 -1.931 1.00 0.00 O ATOM 1374 NE2 GLN A 101 4.280 -12.638 -3.077 1.00 0.00 N ATOM 0 H GLN A 101 -0.668 -12.850 -2.451 1.00 0.00 H new ATOM 0 HA GLN A 101 0.985 -10.514 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.051 -12.854 -0.800 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.861 -13.388 -2.260 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.850 -11.105 -0.508 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.381 -12.766 -0.335 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.639 -13.427 -3.163 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.025 -12.510 -3.762 1.00 0.00 H new ATOM 1381 N VAL A 102 2.264 -10.236 -4.078 1.00 0.00 N ATOM 1382 CA VAL A 102 3.088 -10.084 -5.274 1.00 0.00 C ATOM 1383 C VAL A 102 4.342 -9.274 -4.914 1.00 0.00 C ATOM 1384 O VAL A 102 4.353 -8.573 -3.903 1.00 0.00 O ATOM 1385 CB VAL A 102 2.303 -9.448 -6.443 1.00 0.00 C ATOM 1386 CG1 VAL A 102 1.164 -10.331 -6.963 1.00 0.00 C ATOM 1387 CG2 VAL A 102 1.736 -8.064 -6.105 1.00 0.00 C ATOM 0 H VAL A 102 2.318 -9.440 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 102 3.390 -11.071 -5.625 1.00 0.00 H new ATOM 0 HB VAL A 102 3.050 -9.343 -7.230 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.655 -9.823 -7.783 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.571 -11.277 -7.319 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.454 -10.521 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.196 -7.672 -6.967 1.00 0.00 H new ATOM 0 HG22 VAL A 102 1.056 -8.147 -5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.553 -7.389 -5.850 1.00 0.00 H new ATOM 1397 N GLU A 103 5.386 -9.364 -5.741 1.00 0.00 N ATOM 1398 CA GLU A 103 6.714 -8.811 -5.505 1.00 0.00 C ATOM 1399 C GLU A 103 7.103 -7.913 -6.682 1.00 0.00 C ATOM 1400 O GLU A 103 7.644 -8.373 -7.686 1.00 0.00 O ATOM 1401 CB GLU A 103 7.737 -9.924 -5.208 1.00 0.00 C ATOM 1402 CG GLU A 103 7.690 -11.160 -6.125 1.00 0.00 C ATOM 1403 CD GLU A 103 6.396 -11.952 -5.996 1.00 0.00 C ATOM 1404 OE1 GLU A 103 6.221 -12.617 -4.953 1.00 0.00 O ATOM 1405 OE2 GLU A 103 5.547 -11.763 -6.898 1.00 0.00 O ATOM 0 H GLU A 103 5.321 -9.849 -6.636 1.00 0.00 H new ATOM 0 HA GLU A 103 6.705 -8.187 -4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.737 -9.493 -5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.592 -10.256 -4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.812 -10.841 -7.160 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.532 -11.811 -5.890 1.00 0.00 H new ATOM 1410 N LYS A 104 6.794 -6.622 -6.576 1.00 0.00 N ATOM 1411 CA LYS A 104 6.867 -5.650 -7.661 1.00 0.00 C ATOM 1412 C LYS A 104 7.574 -4.403 -7.138 1.00 0.00 C ATOM 1413 O LYS A 104 7.775 -4.274 -5.931 1.00 0.00 O ATOM 1414 CB LYS A 104 5.453 -5.320 -8.147 1.00 0.00 C ATOM 1415 CG LYS A 104 4.986 -6.156 -9.338 1.00 0.00 C ATOM 1416 CD LYS A 104 4.668 -7.598 -8.945 1.00 0.00 C ATOM 1417 CE LYS A 104 3.677 -8.205 -9.939 1.00 0.00 C ATOM 1418 NZ LYS A 104 4.275 -8.379 -11.278 1.00 0.00 N ATOM 0 H LYS A 104 6.474 -6.211 -5.699 1.00 0.00 H new ATOM 0 HA LYS A 104 7.427 -6.052 -8.505 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.755 -5.463 -7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.412 -4.266 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.100 -5.697 -9.776 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.759 -6.153 -10.106 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.584 -8.189 -8.925 1.00 0.00 H new ATOM 0 HD3 LYS A 104 4.249 -7.626 -7.939 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.335 -9.170 -9.566 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.799 -7.563 -10.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.571 -8.793 -11.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.579 -7.455 -11.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 5.097 -9.012 -11.211 1.00 0.00 H new ATOM 1428 N HIS A 105 7.972 -3.486 -8.026 1.00 0.00 N ATOM 1429 CA HIS A 105 8.541 -2.221 -7.576 1.00 0.00 C ATOM 1430 C HIS A 105 7.426 -1.430 -6.916 1.00 0.00 C ATOM 1431 O HIS A 105 6.482 -1.067 -7.610 1.00 0.00 O ATOM 1432 CB HIS A 105 9.120 -1.373 -8.713 1.00 0.00 C ATOM 1433 CG HIS A 105 10.021 -2.113 -9.653 1.00 0.00 C ATOM 1434 ND1 HIS A 105 9.596 -2.791 -10.774 1.00 0.00 N ATOM 1435 CD2 HIS A 105 11.385 -2.161 -9.606 1.00 0.00 C ATOM 1436 CE1 HIS A 105 10.684 -3.266 -11.402 1.00 0.00 C ATOM 1437 NE2 HIS A 105 11.781 -2.893 -10.709 1.00 0.00 N ATOM 0 H HIS A 105 7.911 -3.596 -9.038 1.00 0.00 H new ATOM 0 HA HIS A 105 9.363 -2.449 -6.898 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.296 -0.945 -9.284 1.00 0.00 H new ATOM 0 HB3 HIS A 105 9.675 -0.541 -8.280 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.025 -1.717 -8.858 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.682 -3.850 -12.311 1.00 0.00 H new ATOM 0 HE2 HIS A 105 12.745 -3.115 -10.959 1.00 0.00 H new ATOM 1445 N ILE A 106 7.512 -1.163 -5.616 1.00 0.00 N ATOM 1446 CA ILE A 106 6.508 -0.351 -4.953 1.00 0.00 C ATOM 1447 C ILE A 106 6.721 1.106 -5.351 1.00 0.00 C ATOM 1448 O ILE A 106 7.863 1.565 -5.439 1.00 0.00 O ATOM 1449 CB ILE A 106 6.510 -0.566 -3.431 1.00 0.00 C ATOM 1450 CG1 ILE A 106 7.822 -0.188 -2.731 1.00 0.00 C ATOM 1451 CG2 ILE A 106 6.144 -2.025 -3.146 1.00 0.00 C ATOM 1452 CD1 ILE A 106 7.746 -0.292 -1.205 1.00 0.00 C ATOM 0 H ILE A 106 8.261 -1.496 -5.009 1.00 0.00 H new ATOM 0 HA ILE A 106 5.514 -0.657 -5.278 1.00 0.00 H new ATOM 0 HB ILE A 106 5.770 0.116 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.619 -0.837 -3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.092 0.832 -3.006 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.141 -2.196 -2.069 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.154 -2.237 -3.550 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.876 -2.682 -3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.706 -0.011 -0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 106 6.971 0.378 -0.833 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.507 -1.317 -0.922 1.00 0.00 H new ATOM 1463 N ILE A 107 5.629 1.816 -5.630 1.00 0.00 N ATOM 1464 CA ILE A 107 5.650 3.196 -6.073 1.00 0.00 C ATOM 1465 C ILE A 107 4.983 4.023 -4.967 1.00 0.00 C ATOM 1466 O ILE A 107 3.784 3.857 -4.732 1.00 0.00 O ATOM 1467 CB ILE A 107 4.918 3.316 -7.425 1.00 0.00 C ATOM 1468 CG1 ILE A 107 5.249 2.214 -8.454 1.00 0.00 C ATOM 1469 CG2 ILE A 107 5.174 4.705 -8.020 1.00 0.00 C ATOM 1470 CD1 ILE A 107 6.703 2.160 -8.908 1.00 0.00 C ATOM 0 H ILE A 107 4.687 1.433 -5.550 1.00 0.00 H new ATOM 0 HA ILE A 107 6.663 3.563 -6.238 1.00 0.00 H new ATOM 0 HB ILE A 107 3.860 3.174 -7.205 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.984 1.248 -8.025 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.617 2.357 -9.331 1.00 0.00 H new ATOM 0 HG21 ILE A 107 4.658 4.792 -8.976 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.803 5.468 -7.336 1.00 0.00 H new ATOM 0 HG23 ILE A 107 6.244 4.844 -8.172 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.829 1.353 -9.629 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.974 3.108 -9.373 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.347 1.981 -8.047 1.00 0.00 H new ATOM 1481 N VAL A 108 5.738 4.871 -4.251 1.00 0.00 N ATOM 1482 CA VAL A 108 5.209 5.616 -3.102 1.00 0.00 C ATOM 1483 C VAL A 108 5.384 7.120 -3.255 1.00 0.00 C ATOM 1484 O VAL A 108 6.333 7.580 -3.881 1.00 0.00 O ATOM 1485 CB VAL A 108 5.776 5.125 -1.758 1.00 0.00 C ATOM 1486 CG1 VAL A 108 5.562 3.617 -1.610 1.00 0.00 C ATOM 1487 CG2 VAL A 108 7.247 5.504 -1.560 1.00 0.00 C ATOM 0 H VAL A 108 6.721 5.057 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 108 4.139 5.411 -3.089 1.00 0.00 H new ATOM 0 HB VAL A 108 5.225 5.636 -0.969 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.968 3.284 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.495 3.395 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.070 3.096 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.592 5.132 -0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.847 5.062 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.350 6.589 -1.588 1.00 0.00 H new ATOM 1497 N ALA A 109 4.457 7.870 -2.661 1.00 0.00 N ATOM 1498 CA ALA A 109 4.388 9.319 -2.685 1.00 0.00 C ATOM 1499 C ALA A 109 5.260 9.881 -1.566 1.00 0.00 C ATOM 1500 O ALA A 109 5.079 9.470 -0.419 1.00 0.00 O ATOM 1501 CB ALA A 109 2.942 9.716 -2.436 1.00 0.00 C ATOM 0 H ALA A 109 3.696 7.455 -2.123 1.00 0.00 H new ATOM 0 HA ALA A 109 4.736 9.706 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.856 10.803 -2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.309 9.293 -3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.623 9.337 -1.465 1.00 0.00 H new ATOM 1507 N CYS A 110 6.182 10.799 -1.868 1.00 0.00 N ATOM 1508 CA CYS A 110 7.167 11.270 -0.889 1.00 0.00 C ATOM 1509 C CYS A 110 6.807 12.649 -0.338 1.00 0.00 C ATOM 1510 O CYS A 110 6.081 13.394 -0.989 1.00 0.00 O ATOM 1511 CB CYS A 110 8.538 11.294 -1.559 1.00 0.00 C ATOM 1512 SG CYS A 110 9.955 11.621 -0.485 1.00 0.00 S ATOM 0 H CYS A 110 6.267 11.233 -2.787 1.00 0.00 H new ATOM 0 HA CYS A 110 7.177 10.589 -0.038 1.00 0.00 H new ATOM 0 HB2 CYS A 110 8.695 10.333 -2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 110 8.522 12.052 -2.342 1.00 0.00 H new ATOM 1516 N GLY A 111 7.308 13.037 0.839 1.00 0.00 N ATOM 1517 CA GLY A 111 7.110 14.397 1.315 1.00 0.00 C ATOM 1518 C GLY A 111 7.707 14.651 2.697 1.00 0.00 C ATOM 1519 O GLY A 111 8.568 13.902 3.160 1.00 0.00 O ATOM 0 H GLY A 111 7.844 12.436 1.465 1.00 0.00 H new ATOM 0 HA2 GLY A 111 7.555 15.091 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 111 6.042 14.611 1.344 1.00 0.00 H new ATOM 1522 N GLY A 112 7.224 15.736 3.319 1.00 0.00 N ATOM 1523 CA GLY A 112 7.453 16.129 4.704 1.00 0.00 C ATOM 1524 C GLY A 112 8.913 16.033 5.132 1.00 0.00 C ATOM 1525 O GLY A 112 9.233 15.195 5.967 1.00 0.00 O ATOM 0 H GLY A 112 6.625 16.401 2.830 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.109 17.154 4.844 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.849 15.498 5.357 1.00 0.00 H new ATOM 1528 N LYS A 113 9.785 16.885 4.573 1.00 0.00 N ATOM 1529 CA LYS A 113 11.228 16.749 4.767 1.00 0.00 C ATOM 1530 C LYS A 113 11.589 16.622 6.263 1.00 0.00 C ATOM 1531 O LYS A 113 10.996 17.331 7.076 1.00 0.00 O ATOM 1532 CB LYS A 113 12.041 17.889 4.139 1.00 0.00 C ATOM 1533 CG LYS A 113 11.513 18.387 2.787 1.00 0.00 C ATOM 1534 CD LYS A 113 12.571 19.211 2.034 1.00 0.00 C ATOM 1535 CE LYS A 113 13.004 20.462 2.819 1.00 0.00 C ATOM 1536 NZ LYS A 113 13.974 21.287 2.069 1.00 0.00 N ATOM 0 H LYS A 113 9.513 17.673 3.985 1.00 0.00 H new ATOM 0 HA LYS A 113 11.500 15.831 4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 113 12.063 18.727 4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.070 17.554 4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 113 11.213 17.535 2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 113 10.622 18.995 2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 113 13.443 18.587 1.839 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.172 19.512 1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.125 21.062 3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 113 13.446 20.158 3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 14.236 22.118 2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 14.825 20.724 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 13.545 21.601 1.175 1.00 0.00 H new ATOM 1546 N PRO A 114 12.570 15.788 6.649 1.00 0.00 N ATOM 1547 CA PRO A 114 13.422 14.987 5.781 1.00 0.00 C ATOM 1548 C PRO A 114 12.584 13.926 5.063 1.00 0.00 C ATOM 1549 O PRO A 114 11.560 13.510 5.584 1.00 0.00 O ATOM 1550 CB PRO A 114 14.483 14.380 6.710 1.00 0.00 C ATOM 1551 CG PRO A 114 13.767 14.306 8.058 1.00 0.00 C ATOM 1552 CD PRO A 114 12.903 15.564 8.044 1.00 0.00 C ATOM 0 HA PRO A 114 13.898 15.568 4.991 1.00 0.00 H new ATOM 0 HB2 PRO A 114 14.801 13.395 6.368 1.00 0.00 H new ATOM 0 HB3 PRO A 114 15.376 15.003 6.762 1.00 0.00 H new ATOM 0 HG2 PRO A 114 13.165 13.402 8.149 1.00 0.00 H new ATOM 0 HG3 PRO A 114 14.470 14.306 8.891 1.00 0.00 H new ATOM 0 HD2 PRO A 114 12.004 15.430 8.646 1.00 0.00 H new ATOM 0 HD3 PRO A 114 13.442 16.415 8.461 1.00 0.00 H new ATOM 1557 N SER A 115 12.953 13.567 3.831 1.00 0.00 N ATOM 1558 CA SER A 115 12.108 12.828 2.903 1.00 0.00 C ATOM 1559 C SER A 115 11.516 11.540 3.492 1.00 0.00 C ATOM 1560 O SER A 115 12.241 10.568 3.698 1.00 0.00 O ATOM 1561 CB SER A 115 12.915 12.569 1.622 1.00 0.00 C ATOM 1562 OG SER A 115 14.310 12.586 1.889 1.00 0.00 O ATOM 0 H SER A 115 13.871 13.790 3.446 1.00 0.00 H new ATOM 0 HA SER A 115 11.233 13.436 2.676 1.00 0.00 H new ATOM 0 HB2 SER A 115 12.633 11.605 1.199 1.00 0.00 H new ATOM 0 HB3 SER A 115 12.674 13.327 0.876 1.00 0.00 H new ATOM 0 HG SER A 115 14.791 12.168 1.144 1.00 0.00 H new ATOM 1567 N VAL A 116 10.195 11.516 3.720 1.00 0.00 N ATOM 1568 CA VAL A 116 9.458 10.359 4.229 1.00 0.00 C ATOM 1569 C VAL A 116 8.205 10.131 3.362 1.00 0.00 C ATOM 1570 O VAL A 116 7.663 11.104 2.834 1.00 0.00 O ATOM 1571 CB VAL A 116 9.098 10.582 5.708 1.00 0.00 C ATOM 1572 CG1 VAL A 116 10.354 10.587 6.592 1.00 0.00 C ATOM 1573 CG2 VAL A 116 8.330 11.895 5.903 1.00 0.00 C ATOM 0 H VAL A 116 9.597 12.325 3.550 1.00 0.00 H new ATOM 0 HA VAL A 116 10.076 9.463 4.171 1.00 0.00 H new ATOM 0 HB VAL A 116 8.458 9.752 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.067 10.747 7.631 1.00 0.00 H new ATOM 0 HG12 VAL A 116 10.867 9.630 6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.021 11.388 6.273 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.090 12.023 6.959 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.945 12.730 5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.408 11.867 5.323 1.00 0.00 H new ATOM 1583 N PRO A 117 7.757 8.881 3.139 1.00 0.00 N ATOM 1584 CA PRO A 117 6.620 8.625 2.280 1.00 0.00 C ATOM 1585 C PRO A 117 5.312 8.900 3.019 1.00 0.00 C ATOM 1586 O PRO A 117 5.236 8.712 4.230 1.00 0.00 O ATOM 1587 CB PRO A 117 6.762 7.189 1.783 1.00 0.00 C ATOM 1588 CG PRO A 117 7.640 6.496 2.825 1.00 0.00 C ATOM 1589 CD PRO A 117 8.356 7.631 3.579 1.00 0.00 C ATOM 0 HA PRO A 117 6.595 9.294 1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 117 5.790 6.702 1.699 1.00 0.00 H new ATOM 0 HB3 PRO A 117 7.221 7.157 0.795 1.00 0.00 H new ATOM 0 HG2 PRO A 117 7.040 5.891 3.504 1.00 0.00 H new ATOM 0 HG3 PRO A 117 8.357 5.826 2.351 1.00 0.00 H new ATOM 0 HD2 PRO A 117 8.244 7.508 4.656 1.00 0.00 H new ATOM 0 HD3 PRO A 117 9.425 7.620 3.366 1.00 0.00 H new ATOM 1594 N VAL A 118 4.300 9.383 2.289 1.00 0.00 N ATOM 1595 CA VAL A 118 3.010 9.781 2.857 1.00 0.00 C ATOM 1596 C VAL A 118 1.807 9.180 2.118 1.00 0.00 C ATOM 1597 O VAL A 118 0.676 9.303 2.589 1.00 0.00 O ATOM 1598 CB VAL A 118 2.904 11.318 2.935 1.00 0.00 C ATOM 1599 CG1 VAL A 118 4.040 11.929 3.764 1.00 0.00 C ATOM 1600 CG2 VAL A 118 2.903 11.970 1.543 1.00 0.00 C ATOM 0 H VAL A 118 4.356 9.509 1.278 1.00 0.00 H new ATOM 0 HA VAL A 118 2.975 9.371 3.866 1.00 0.00 H new ATOM 0 HB VAL A 118 1.952 11.523 3.424 1.00 0.00 H new ATOM 0 HG11 VAL A 118 3.927 13.013 3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.003 11.533 4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 118 4.998 11.676 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 118 2.827 13.052 1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 118 3.828 11.720 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.053 11.601 0.969 1.00 0.00 H new ATOM 1610 N HIS A 119 2.011 8.569 0.949 1.00 0.00 N ATOM 1611 CA HIS A 119 0.951 7.941 0.168 1.00 0.00 C ATOM 1612 C HIS A 119 1.566 6.785 -0.620 1.00 0.00 C ATOM 1613 O HIS A 119 2.789 6.695 -0.721 1.00 0.00 O ATOM 1614 CB HIS A 119 0.285 8.977 -0.757 1.00 0.00 C ATOM 1615 CG HIS A 119 -1.212 9.102 -0.672 1.00 0.00 C ATOM 1616 ND1 HIS A 119 -2.037 9.385 -1.748 1.00 0.00 N ATOM 1617 CD2 HIS A 119 -1.959 9.173 0.473 1.00 0.00 C ATOM 1618 CE1 HIS A 119 -3.274 9.603 -1.263 1.00 0.00 C ATOM 1619 NE2 HIS A 119 -3.250 9.476 0.080 1.00 0.00 N ATOM 0 H HIS A 119 2.931 8.497 0.515 1.00 0.00 H new ATOM 0 HA HIS A 119 0.169 7.552 0.820 1.00 0.00 H new ATOM 0 HB2 HIS A 119 0.720 9.953 -0.542 1.00 0.00 H new ATOM 0 HB3 HIS A 119 0.547 8.731 -1.786 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -1.609 9.022 1.484 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -4.146 9.841 -1.854 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -4.051 9.585 0.702 1.00 0.00 H new ATOM 1627 N PHE A 120 0.725 5.925 -1.197 1.00 0.00 N ATOM 1628 CA PHE A 120 1.137 4.854 -2.095 1.00 0.00 C ATOM 1629 C PHE A 120 0.442 5.096 -3.425 1.00 0.00 C ATOM 1630 O PHE A 120 -0.739 5.444 -3.408 1.00 0.00 O ATOM 1631 CB PHE A 120 0.690 3.500 -1.534 1.00 0.00 C ATOM 1632 CG PHE A 120 1.616 2.341 -1.836 1.00 0.00 C ATOM 1633 CD1 PHE A 120 2.623 1.994 -0.915 1.00 0.00 C ATOM 1634 CD2 PHE A 120 1.378 1.519 -2.952 1.00 0.00 C ATOM 1635 CE1 PHE A 120 3.394 0.837 -1.109 1.00 0.00 C ATOM 1636 CE2 PHE A 120 2.128 0.345 -3.124 1.00 0.00 C ATOM 1637 CZ PHE A 120 3.118 -0.008 -2.196 1.00 0.00 C ATOM 0 H PHE A 120 -0.283 5.958 -1.047 1.00 0.00 H new ATOM 0 HA PHE A 120 2.221 4.843 -2.208 1.00 0.00 H new ATOM 0 HB2 PHE A 120 0.586 3.589 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.298 3.268 -1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.803 2.621 -0.055 1.00 0.00 H new ATOM 0 HD2 PHE A 120 0.621 1.790 -3.674 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.195 0.598 -0.426 1.00 0.00 H new ATOM 0 HE2 PHE A 120 1.941 -0.291 -3.977 1.00 0.00 H new ATOM 0 HZ PHE A 120 3.668 -0.929 -2.317 1.00 0.00 H new ATOM 1646 N ASP A 121 1.147 4.907 -4.539 1.00 0.00 N ATOM 1647 CA ASP A 121 0.522 4.866 -5.852 1.00 0.00 C ATOM 1648 C ASP A 121 0.063 3.434 -6.132 1.00 0.00 C ATOM 1649 O ASP A 121 -1.131 3.143 -6.096 1.00 0.00 O ATOM 1650 CB ASP A 121 1.504 5.382 -6.906 1.00 0.00 C ATOM 1651 CG ASP A 121 1.049 5.024 -8.315 1.00 0.00 C ATOM 1652 OD1 ASP A 121 0.045 5.617 -8.760 1.00 0.00 O ATOM 1653 OD2 ASP A 121 1.722 4.163 -8.920 1.00 0.00 O ATOM 0 H ASP A 121 2.159 4.779 -4.554 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.354 5.514 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 121 1.599 6.464 -6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.492 4.959 -6.723 1.00 0.00 H new ATOM 1657 N ALA A 122 1.013 2.526 -6.366 1.00 0.00 N ATOM 1658 CA ALA A 122 0.761 1.168 -6.825 1.00 0.00 C ATOM 1659 C ALA A 122 2.083 0.404 -6.760 1.00 0.00 C ATOM 1660 O ALA A 122 3.030 0.892 -6.139 1.00 0.00 O ATOM 1661 CB ALA A 122 0.201 1.199 -8.256 1.00 0.00 C ATOM 0 H ALA A 122 2.005 2.726 -6.236 1.00 0.00 H new ATOM 0 HA ALA A 122 0.022 0.671 -6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 122 0.014 0.180 -8.596 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -0.732 1.763 -8.270 1.00 0.00 H new ATOM 0 HB3 ALA A 122 0.923 1.676 -8.919 1.00 0.00 H new ATOM 1667 N SER A 123 2.164 -0.767 -7.402 1.00 0.00 N ATOM 1668 CA SER A 123 3.402 -1.524 -7.487 1.00 0.00 C ATOM 1669 C SER A 123 3.535 -2.156 -8.871 1.00 0.00 C ATOM 1670 O SER A 123 2.608 -2.842 -9.298 1.00 0.00 O ATOM 1671 CB SER A 123 3.448 -2.626 -6.421 1.00 0.00 C ATOM 1672 OG SER A 123 3.049 -2.156 -5.148 1.00 0.00 O ATOM 0 H SER A 123 1.374 -1.208 -7.872 1.00 0.00 H new ATOM 0 HA SER A 123 4.229 -0.835 -7.315 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.799 -3.448 -6.723 1.00 0.00 H new ATOM 0 HB3 SER A 123 4.460 -3.026 -6.358 1.00 0.00 H new ATOM 0 HG SER A 123 2.938 -2.916 -4.539 1.00 0.00 H new ATOM 1677 N VAL A 124 4.676 -1.978 -9.544 1.00 0.00 N ATOM 1678 CA VAL A 124 4.998 -2.742 -10.743 1.00 0.00 C ATOM 1679 C VAL A 124 6.517 -2.814 -10.924 1.00 0.00 C ATOM 1680 CB VAL A 124 4.158 -2.310 -11.965 1.00 0.00 C ATOM 1681 CG1 VAL A 124 4.862 -1.373 -12.954 1.00 0.00 C ATOM 1682 CG2 VAL A 124 3.653 -3.572 -12.685 1.00 0.00 C ATOM 0 H VAL A 124 5.393 -1.306 -9.273 1.00 0.00 H new ATOM 0 HA VAL A 124 4.687 -3.780 -10.624 1.00 0.00 H new ATOM 0 HB VAL A 124 3.335 -1.713 -11.572 1.00 0.00 H new ATOM 0 HG11 VAL A 124 4.184 -1.132 -13.773 1.00 0.00 H new ATOM 0 HG12 VAL A 124 5.153 -0.456 -12.442 1.00 0.00 H new ATOM 0 HG13 VAL A 124 5.750 -1.864 -13.351 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.058 -3.283 -13.551 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.504 -4.169 -13.013 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.039 -4.159 -12.002 1.00 0.00 H new TER 1692 VAL A 124