USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 681 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 54 MET CE :methyl -167:sc= -1.13 (180deg=-1.75) USER MOD Set 1.2: A 77 MET CE :methyl 152:sc= -1.16 (180deg=-3.2!) USER MOD Set 2.1: A 71 ASN :FLIP amide:sc= -0.0315 F(o=-2.7,f=-1.8) USER MOD Set 2.2: A 74 CYS SG : rot -22:sc= -1.76 USER MOD Set 3.1: A 64 MET CE :methyl -147:sc= -0.392 (180deg=-1.54) USER MOD Set 3.2: A 65 GLN :FLIP amide:sc= -0.755 F(o=-5.7!,f=-1.1) USER MOD Set 4.1: A 12 SER OG : rot -173:sc= 0.528 USER MOD Set 4.2: A 38 HIS :FLIP no HE2:sc= -0.0599 F(o=-0.77,f=0.47) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00759) USER MOD Single : A 5 MET CE :methyl -118:sc= 0 (180deg=-0.0615) USER MOD Single : A 6 SER OG : rot -115:sc= 0.73 USER MOD Single : A 9 LYS NZ :NH3+ -158:sc= 1.24 (180deg=1.17) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.511 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.00459 X(o=-0.0046,f=-0.0046) USER MOD Single : A 21 GLN : amide:sc= 0.991 K(o=0.99,f=-1.6!) USER MOD Single : A 26 SER OG : rot 180:sc= 0.00808 USER MOD Single : A 27 SER OG : rot -36:sc= 0.352 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.00043) USER MOD Single : A 34 CYS SG : rot 130:sc= -2.13 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.104 F(o=-2.7,f=-0.1) USER MOD Single : A 39 ASN : amide:sc= -1.95 K(o=-2,f=-3.6!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0789 USER MOD Single : A 48 THR OG1 : rot 50:sc= 0.386 USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.14) USER MOD Single : A 56 SER OG : rot 97:sc= 0.00141 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -36:sc= 0.385 USER MOD Single : A 80 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.447 X(o=-0.45,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.148 -11.241 -6.447 1.00 0.00 N ATOM 2 CA GLY A 1 7.731 -12.419 -5.672 1.00 0.00 C ATOM 3 C GLY A 1 6.426 -13.000 -6.190 1.00 0.00 C ATOM 4 O GLY A 1 6.402 -14.165 -6.601 1.00 0.00 O ATOM 0 H1 GLY A 1 9.042 -10.872 -6.064 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.282 -11.510 -7.443 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.415 -10.506 -6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.511 -13.179 -5.717 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.616 -12.143 -4.624 1.00 0.00 H new ATOM 8 N HIS A 2 5.334 -12.223 -6.150 1.00 0.00 N ATOM 9 CA HIS A 2 4.006 -12.563 -6.672 1.00 0.00 C ATOM 10 C HIS A 2 3.569 -13.992 -6.294 1.00 0.00 C ATOM 11 O HIS A 2 2.948 -14.708 -7.082 1.00 0.00 O ATOM 12 CB HIS A 2 3.945 -12.261 -8.180 1.00 0.00 C ATOM 13 CG HIS A 2 2.578 -11.855 -8.707 1.00 0.00 C ATOM 14 ND1 HIS A 2 2.360 -10.832 -9.607 1.00 0.00 N ATOM 15 CD2 HIS A 2 1.355 -12.421 -8.442 1.00 0.00 C ATOM 16 CE1 HIS A 2 1.050 -10.790 -9.891 1.00 0.00 C ATOM 17 NE2 HIS A 2 0.396 -11.732 -9.198 1.00 0.00 N ATOM 0 H HIS A 2 5.356 -11.293 -5.731 1.00 0.00 H new ATOM 0 HA HIS A 2 3.264 -11.927 -6.189 1.00 0.00 H new ATOM 0 HB2 HIS A 2 4.654 -11.463 -8.403 1.00 0.00 H new ATOM 0 HB3 HIS A 2 4.278 -13.145 -8.724 1.00 0.00 H new ATOM 0 HD2 HIS A 2 1.166 -13.247 -7.773 1.00 0.00 H new ATOM 0 HE1 HIS A 2 0.589 -10.097 -10.579 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.608 -11.913 -9.217 1.00 0.00 H new ATOM 25 N SER A 3 3.908 -14.409 -5.078 1.00 0.00 N ATOM 26 CA SER A 3 3.325 -15.538 -4.377 1.00 0.00 C ATOM 27 C SER A 3 3.211 -15.165 -2.909 1.00 0.00 C ATOM 28 O SER A 3 3.697 -14.105 -2.491 1.00 0.00 O ATOM 29 CB SER A 3 4.147 -16.826 -4.538 1.00 0.00 C ATOM 30 OG SER A 3 5.526 -16.575 -4.772 1.00 0.00 O ATOM 0 H SER A 3 4.633 -13.943 -4.532 1.00 0.00 H new ATOM 0 HA SER A 3 2.346 -15.748 -4.807 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.041 -17.434 -3.639 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.743 -17.408 -5.366 1.00 0.00 H new ATOM 0 HG SER A 3 6.002 -17.426 -4.865 1.00 0.00 H new ATOM 36 N LYS A 4 2.641 -16.095 -2.148 1.00 0.00 N ATOM 37 CA LYS A 4 2.346 -16.055 -0.738 1.00 0.00 C ATOM 38 C LYS A 4 1.415 -14.914 -0.377 1.00 0.00 C ATOM 39 O LYS A 4 1.194 -13.941 -1.106 1.00 0.00 O ATOM 40 CB LYS A 4 3.619 -16.131 0.137 1.00 0.00 C ATOM 41 CG LYS A 4 4.372 -14.794 0.326 1.00 0.00 C ATOM 42 CD LYS A 4 4.982 -14.622 1.724 1.00 0.00 C ATOM 43 CE LYS A 4 5.344 -13.163 2.035 1.00 0.00 C ATOM 44 NZ LYS A 4 6.267 -12.558 1.050 1.00 0.00 N ATOM 0 H LYS A 4 2.348 -16.983 -2.556 1.00 0.00 H new ATOM 0 HA LYS A 4 1.790 -16.963 -0.503 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.343 -16.515 1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.303 -16.854 -0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.166 -14.726 -0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.685 -13.970 0.135 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.276 -14.985 2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.877 -15.239 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.429 -12.571 2.074 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.799 -13.113 3.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.495 -11.586 1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.141 -13.119 1.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.814 -12.543 0.114 1.00 0.00 H new ATOM 58 N MET A 5 0.958 -15.020 0.852 1.00 0.00 N ATOM 59 CA MET A 5 0.422 -13.881 1.569 1.00 0.00 C ATOM 60 C MET A 5 1.554 -12.894 1.864 1.00 0.00 C ATOM 61 O MET A 5 2.431 -13.171 2.683 1.00 0.00 O ATOM 62 CB MET A 5 -0.347 -14.304 2.825 1.00 0.00 C ATOM 63 CG MET A 5 0.417 -15.092 3.895 1.00 0.00 C ATOM 64 SD MET A 5 -0.339 -14.959 5.535 1.00 0.00 S ATOM 65 CE MET A 5 0.274 -13.315 6.023 1.00 0.00 C ATOM 0 H MET A 5 0.947 -15.892 1.381 1.00 0.00 H new ATOM 0 HA MET A 5 -0.313 -13.376 0.943 1.00 0.00 H new ATOM 0 HB2 MET A 5 -0.747 -13.404 3.292 1.00 0.00 H new ATOM 0 HB3 MET A 5 -1.200 -14.906 2.510 1.00 0.00 H new ATOM 0 HG2 MET A 5 0.462 -16.142 3.604 1.00 0.00 H new ATOM 0 HG3 MET A 5 1.444 -14.730 3.943 1.00 0.00 H new ATOM 0 HE1 MET A 5 0.899 -13.409 6.911 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.861 -12.889 5.209 1.00 0.00 H new ATOM 0 HE3 MET A 5 -0.571 -12.662 6.241 1.00 0.00 H new ATOM 75 N SER A 6 1.555 -11.726 1.224 1.00 0.00 N ATOM 76 CA SER A 6 2.191 -10.561 1.830 1.00 0.00 C ATOM 77 C SER A 6 1.433 -10.232 3.134 1.00 0.00 C ATOM 78 O SER A 6 0.479 -10.907 3.509 1.00 0.00 O ATOM 79 CB SER A 6 2.270 -9.413 0.818 1.00 0.00 C ATOM 80 OG SER A 6 3.048 -9.817 -0.297 1.00 0.00 O ATOM 0 H SER A 6 1.134 -11.564 0.309 1.00 0.00 H new ATOM 0 HA SER A 6 3.228 -10.755 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.268 -9.131 0.493 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.713 -8.533 1.284 1.00 0.00 H new ATOM 0 HG SER A 6 3.864 -9.276 -0.340 1.00 0.00 H new ATOM 86 N ASP A 7 1.875 -9.242 3.896 1.00 0.00 N ATOM 87 CA ASP A 7 1.688 -9.230 5.346 1.00 0.00 C ATOM 88 C ASP A 7 0.545 -8.266 5.692 1.00 0.00 C ATOM 89 O ASP A 7 0.722 -7.099 6.055 1.00 0.00 O ATOM 90 CB ASP A 7 3.065 -8.944 5.947 1.00 0.00 C ATOM 91 CG ASP A 7 3.267 -9.311 7.411 1.00 0.00 C ATOM 92 OD1 ASP A 7 2.566 -10.197 7.937 1.00 0.00 O ATOM 93 OD2 ASP A 7 4.176 -8.729 8.036 1.00 0.00 O ATOM 0 H ASP A 7 2.371 -8.428 3.533 1.00 0.00 H new ATOM 0 HA ASP A 7 1.357 -10.172 5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.810 -9.478 5.357 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.271 -7.880 5.832 1.00 0.00 H new ATOM 98 N VAL A 8 -0.667 -8.760 5.443 1.00 0.00 N ATOM 99 CA VAL A 8 -1.955 -8.050 5.317 1.00 0.00 C ATOM 100 C VAL A 8 -2.596 -7.588 6.631 1.00 0.00 C ATOM 101 O VAL A 8 -3.787 -7.320 6.761 1.00 0.00 O ATOM 102 CB VAL A 8 -2.918 -8.878 4.430 1.00 0.00 C ATOM 103 CG1 VAL A 8 -4.014 -8.015 3.811 1.00 0.00 C ATOM 104 CG2 VAL A 8 -2.197 -9.584 3.271 1.00 0.00 C ATOM 0 H VAL A 8 -0.792 -9.764 5.310 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.733 -7.102 4.826 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.348 -9.616 5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.665 -8.638 3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.600 -7.548 4.603 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.561 -7.242 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.920 -10.149 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.714 -8.841 2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.444 -10.263 3.671 1.00 0.00 H new ATOM 114 N LYS A 9 -1.783 -7.391 7.643 1.00 0.00 N ATOM 115 CA LYS A 9 -2.238 -7.256 9.016 1.00 0.00 C ATOM 116 C LYS A 9 -2.946 -5.969 9.439 1.00 0.00 C ATOM 117 O LYS A 9 -3.148 -5.772 10.635 1.00 0.00 O ATOM 118 CB LYS A 9 -1.070 -7.551 9.948 1.00 0.00 C ATOM 119 CG LYS A 9 0.040 -6.553 9.614 1.00 0.00 C ATOM 120 CD LYS A 9 1.265 -7.333 9.193 1.00 0.00 C ATOM 121 CE LYS A 9 2.319 -6.338 8.688 1.00 0.00 C ATOM 122 NZ LYS A 9 3.613 -6.494 9.371 1.00 0.00 N ATOM 0 H LYS A 9 -0.771 -7.318 7.539 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.046 -7.984 9.090 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.375 -7.452 10.990 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.720 -8.575 9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.278 -5.884 8.814 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.265 -5.930 10.480 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.656 -7.908 10.032 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.010 -8.047 8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.459 -6.475 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.954 -5.321 8.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.157 -5.612 9.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.452 -6.710 10.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.146 -7.271 8.931 1.00 0.00 H new ATOM 136 N CYS A 10 -3.312 -5.117 8.488 1.00 0.00 N ATOM 137 CA CYS A 10 -4.220 -3.987 8.646 1.00 0.00 C ATOM 138 C CYS A 10 -3.940 -3.140 9.890 1.00 0.00 C ATOM 139 O CYS A 10 -4.724 -3.051 10.839 1.00 0.00 O ATOM 140 CB CYS A 10 -5.640 -4.471 8.374 1.00 0.00 C ATOM 141 SG CYS A 10 -6.221 -5.824 9.451 1.00 0.00 S ATOM 0 H CYS A 10 -2.964 -5.201 7.533 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.040 -3.217 7.895 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -6.321 -3.626 8.480 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.701 -4.802 7.337 1.00 0.00 H new ATOM 0 HG CYS A 10 -7.438 -6.146 9.125 1.00 0.00 H new ATOM 147 N THR A 11 -2.766 -2.512 9.837 1.00 0.00 N ATOM 148 CA THR A 11 -2.030 -2.027 10.984 1.00 0.00 C ATOM 149 C THR A 11 -1.766 -0.531 10.840 1.00 0.00 C ATOM 150 O THR A 11 -2.518 0.282 11.374 1.00 0.00 O ATOM 151 CB THR A 11 -0.840 -2.989 11.222 1.00 0.00 C ATOM 152 OG1 THR A 11 -0.072 -2.602 12.331 1.00 0.00 O ATOM 153 CG2 THR A 11 0.128 -3.139 10.031 1.00 0.00 C ATOM 0 H THR A 11 -2.290 -2.324 8.955 1.00 0.00 H new ATOM 0 HA THR A 11 -2.583 -2.058 11.923 1.00 0.00 H new ATOM 0 HB THR A 11 -1.328 -3.950 11.385 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.669 -3.232 12.452 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.926 -3.832 10.296 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.415 -3.523 9.167 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.558 -2.167 9.787 1.00 0.00 H new ATOM 161 N SER A 12 -0.762 -0.171 10.058 1.00 0.00 N ATOM 162 CA SER A 12 -0.410 1.152 9.613 1.00 0.00 C ATOM 163 C SER A 12 -1.655 1.848 9.082 1.00 0.00 C ATOM 164 O SER A 12 -2.130 1.489 8.009 1.00 0.00 O ATOM 165 CB SER A 12 0.589 0.951 8.485 1.00 0.00 C ATOM 166 OG SER A 12 1.571 -0.026 8.799 1.00 0.00 O ATOM 0 H SER A 12 -0.117 -0.869 9.688 1.00 0.00 H new ATOM 0 HA SER A 12 0.006 1.761 10.415 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.058 0.651 7.582 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.081 1.899 8.265 1.00 0.00 H new ATOM 0 HG SER A 12 2.249 -0.048 8.092 1.00 0.00 H new ATOM 172 N VAL A 13 -2.239 2.806 9.791 1.00 0.00 N ATOM 173 CA VAL A 13 -3.508 3.367 9.318 1.00 0.00 C ATOM 174 C VAL A 13 -3.381 4.065 7.971 1.00 0.00 C ATOM 175 O VAL A 13 -4.370 4.168 7.248 1.00 0.00 O ATOM 176 CB VAL A 13 -4.094 4.355 10.318 1.00 0.00 C ATOM 177 CG1 VAL A 13 -4.773 3.571 11.430 1.00 0.00 C ATOM 178 CG2 VAL A 13 -3.044 5.352 10.837 1.00 0.00 C ATOM 0 H VAL A 13 -1.878 3.200 10.659 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.174 2.512 9.206 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.841 4.976 9.822 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.199 4.264 12.156 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.567 2.954 11.008 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.041 2.932 11.924 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.511 6.035 11.547 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.239 4.808 11.332 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.637 5.920 10.001 1.00 0.00 H new ATOM 188 N VAL A 14 -2.178 4.515 7.614 1.00 0.00 N ATOM 189 CA VAL A 14 -1.972 5.400 6.484 1.00 0.00 C ATOM 190 C VAL A 14 -2.544 4.776 5.197 1.00 0.00 C ATOM 191 O VAL A 14 -3.114 5.498 4.384 1.00 0.00 O ATOM 192 CB VAL A 14 -0.478 5.790 6.372 1.00 0.00 C ATOM 193 CG1 VAL A 14 -0.342 7.050 5.506 1.00 0.00 C ATOM 194 CG2 VAL A 14 0.197 6.123 7.717 1.00 0.00 C ATOM 0 H VAL A 14 -1.319 4.271 8.108 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.521 6.328 6.640 1.00 0.00 H new ATOM 0 HB VAL A 14 0.011 4.914 5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.710 7.325 5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.741 6.853 4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.898 7.868 5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.241 6.385 7.545 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.316 6.964 8.183 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.144 5.256 8.375 1.00 0.00 H new ATOM 204 N LEU A 15 -2.461 3.447 5.012 1.00 0.00 N ATOM 205 CA LEU A 15 -2.908 2.824 3.755 1.00 0.00 C ATOM 206 C LEU A 15 -4.404 2.565 3.780 1.00 0.00 C ATOM 207 O LEU A 15 -4.970 2.329 2.717 1.00 0.00 O ATOM 208 CB LEU A 15 -2.248 1.478 3.373 1.00 0.00 C ATOM 209 CG LEU A 15 -1.109 0.807 4.132 1.00 0.00 C ATOM 210 CD1 LEU A 15 0.036 1.673 4.667 1.00 0.00 C ATOM 211 CD2 LEU A 15 -1.722 -0.018 5.242 1.00 0.00 C ATOM 0 H LEU A 15 -2.095 2.793 5.704 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.604 3.561 3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.057 0.748 3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.892 1.601 2.350 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.588 0.215 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.761 1.041 5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.524 2.184 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.361 2.410 5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.932 -0.513 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.290 0.632 5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.386 -0.768 4.813 1.00 0.00 H new ATOM 223 N LEU A 16 -5.023 2.524 4.959 1.00 0.00 N ATOM 224 CA LEU A 16 -6.371 2.051 5.212 1.00 0.00 C ATOM 225 C LEU A 16 -7.384 3.182 5.341 1.00 0.00 C ATOM 226 O LEU A 16 -8.493 3.097 4.810 1.00 0.00 O ATOM 227 CB LEU A 16 -6.265 1.249 6.513 1.00 0.00 C ATOM 228 CG LEU A 16 -5.700 -0.156 6.225 1.00 0.00 C ATOM 229 CD1 LEU A 16 -4.764 -0.660 7.311 1.00 0.00 C ATOM 230 CD2 LEU A 16 -6.863 -1.066 5.890 1.00 0.00 C ATOM 0 H LEU A 16 -4.562 2.841 5.812 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.737 1.453 4.378 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.620 1.771 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.247 1.166 6.979 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.039 -0.129 5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.402 -1.654 7.047 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.918 0.021 7.407 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.300 -0.709 8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.492 -2.069 5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.551 -1.102 6.734 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.384 -0.682 5.013 1.00 0.00 H new ATOM 242 N SER A 17 -6.983 4.261 6.000 1.00 0.00 N ATOM 243 CA SER A 17 -7.746 5.485 6.176 1.00 0.00 C ATOM 244 C SER A 17 -8.171 6.081 4.823 1.00 0.00 C ATOM 245 O SER A 17 -9.356 6.336 4.616 1.00 0.00 O ATOM 246 CB SER A 17 -6.909 6.444 7.021 1.00 0.00 C ATOM 247 OG SER A 17 -7.346 6.497 8.365 1.00 0.00 O ATOM 0 H SER A 17 -6.068 4.306 6.449 1.00 0.00 H new ATOM 0 HA SER A 17 -8.680 5.283 6.701 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.865 6.133 6.993 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.956 7.443 6.587 1.00 0.00 H new ATOM 0 HG SER A 17 -6.782 7.121 8.868 1.00 0.00 H new ATOM 253 N VAL A 18 -7.259 6.164 3.848 1.00 0.00 N ATOM 254 CA VAL A 18 -7.583 6.314 2.423 1.00 0.00 C ATOM 255 C VAL A 18 -8.668 5.479 1.779 1.00 0.00 C ATOM 256 O VAL A 18 -9.104 5.798 0.673 1.00 0.00 O ATOM 257 CB VAL A 18 -6.314 6.369 1.556 1.00 0.00 C ATOM 258 CG1 VAL A 18 -6.076 7.603 0.743 1.00 0.00 C ATOM 259 CG2 VAL A 18 -5.095 5.517 1.865 1.00 0.00 C ATOM 0 H VAL A 18 -6.256 6.128 4.030 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.094 7.276 2.453 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.742 5.654 0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.146 7.497 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.903 7.745 0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.006 8.467 1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.317 5.714 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.722 5.762 2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.370 4.463 1.830 1.00 0.00 H new ATOM 269 N LEU A 19 -9.065 4.396 2.407 1.00 0.00 N ATOM 270 CA LEU A 19 -9.978 3.448 1.811 1.00 0.00 C ATOM 271 C LEU A 19 -11.312 3.576 2.523 1.00 0.00 C ATOM 272 O LEU A 19 -12.338 3.778 1.872 1.00 0.00 O ATOM 273 CB LEU A 19 -9.358 2.045 1.825 1.00 0.00 C ATOM 274 CG LEU A 19 -7.875 1.989 1.433 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.366 0.543 1.480 1.00 0.00 C ATOM 276 CD2 LEU A 19 -7.570 2.668 0.084 1.00 0.00 C ATOM 0 H LEU A 19 -8.763 4.147 3.349 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.164 3.654 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.471 1.624 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.923 1.407 1.145 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.328 2.573 2.173 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.313 0.519 1.200 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.482 0.149 2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.941 -0.068 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.504 2.591 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.135 2.176 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.855 3.719 0.133 1.00 0.00 H new ATOM 288 N GLN A 20 -11.280 3.536 3.856 1.00 0.00 N ATOM 289 CA GLN A 20 -12.448 3.723 4.707 1.00 0.00 C ATOM 290 C GLN A 20 -13.020 5.144 4.598 1.00 0.00 C ATOM 291 O GLN A 20 -14.206 5.323 4.863 1.00 0.00 O ATOM 292 CB GLN A 20 -12.107 3.301 6.148 1.00 0.00 C ATOM 293 CG GLN A 20 -11.076 4.179 6.845 1.00 0.00 C ATOM 294 CD GLN A 20 -10.453 3.540 8.094 1.00 0.00 C ATOM 295 OE1 GLN A 20 -10.606 4.049 9.198 1.00 0.00 O ATOM 296 NE2 GLN A 20 -9.711 2.448 7.968 1.00 0.00 N ATOM 0 H GLN A 20 -10.422 3.369 4.381 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.253 3.076 4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.023 3.303 6.738 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.739 2.275 6.134 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.282 4.420 6.138 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.547 5.120 7.128 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.582 2.022 7.050 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.269 2.034 8.789 1.00 0.00 H new ATOM 305 N GLN A 21 -12.249 6.115 4.093 1.00 0.00 N ATOM 306 CA GLN A 21 -12.735 7.423 3.662 1.00 0.00 C ATOM 307 C GLN A 21 -13.941 7.328 2.726 1.00 0.00 C ATOM 308 O GLN A 21 -14.752 8.261 2.693 1.00 0.00 O ATOM 309 CB GLN A 21 -11.609 8.142 2.891 1.00 0.00 C ATOM 310 CG GLN A 21 -10.959 9.259 3.683 1.00 0.00 C ATOM 311 CD GLN A 21 -9.627 9.711 3.094 1.00 0.00 C ATOM 312 OE1 GLN A 21 -9.433 9.791 1.877 1.00 0.00 O ATOM 313 NE2 GLN A 21 -8.687 10.001 3.976 1.00 0.00 N ATOM 0 H GLN A 21 -11.242 6.005 3.971 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.036 7.963 4.559 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.848 7.414 2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.015 8.551 1.966 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.639 10.110 3.725 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.802 8.926 4.709 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.883 9.924 4.974 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.766 10.302 3.659 1.00 0.00 H new ATOM 322 N LEU A 22 -13.991 6.273 1.905 1.00 0.00 N ATOM 323 CA LEU A 22 -14.838 6.227 0.731 1.00 0.00 C ATOM 324 C LEU A 22 -15.955 5.213 0.958 1.00 0.00 C ATOM 325 O LEU A 22 -17.041 5.621 1.363 1.00 0.00 O ATOM 326 CB LEU A 22 -14.015 5.974 -0.550 1.00 0.00 C ATOM 327 CG LEU A 22 -13.034 7.089 -0.962 1.00 0.00 C ATOM 328 CD1 LEU A 22 -13.635 8.487 -0.953 1.00 0.00 C ATOM 329 CD2 LEU A 22 -11.702 7.052 -0.211 1.00 0.00 C ATOM 0 H LEU A 22 -13.438 5.428 2.046 1.00 0.00 H new ATOM 0 HA LEU A 22 -15.308 7.198 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.449 5.052 -0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.708 5.806 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.815 6.856 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.878 9.211 -1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -14.473 8.527 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.985 8.726 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.067 7.867 -0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.884 7.162 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.205 6.100 -0.398 1.00 0.00 H new ATOM 341 N ARG A 23 -15.723 3.920 0.682 1.00 0.00 N ATOM 342 CA ARG A 23 -16.702 2.828 0.789 1.00 0.00 C ATOM 343 C ARG A 23 -16.045 1.462 0.549 1.00 0.00 C ATOM 344 O ARG A 23 -16.672 0.563 -0.015 1.00 0.00 O ATOM 345 CB ARG A 23 -17.918 3.039 -0.151 1.00 0.00 C ATOM 346 CG ARG A 23 -17.732 2.818 -1.661 1.00 0.00 C ATOM 347 CD ARG A 23 -16.425 3.377 -2.189 1.00 0.00 C ATOM 348 NE ARG A 23 -16.443 3.634 -3.637 1.00 0.00 N ATOM 349 CZ ARG A 23 -16.095 2.758 -4.584 1.00 0.00 C ATOM 350 NH1 ARG A 23 -15.879 1.484 -4.284 1.00 0.00 N ATOM 351 NH2 ARG A 23 -15.964 3.155 -5.842 1.00 0.00 N ATOM 0 H ARG A 23 -14.810 3.594 0.365 1.00 0.00 H new ATOM 0 HA ARG A 23 -17.081 2.842 1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.714 2.374 0.185 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -18.273 4.060 -0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -17.775 1.750 -1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.561 3.283 -2.195 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.197 4.306 -1.665 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.621 2.677 -1.961 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.746 4.558 -3.944 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.978 1.163 -3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.614 0.825 -5.016 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.129 4.131 -6.089 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -15.698 2.485 -6.563 1.00 0.00 H new ATOM 365 N VAL A 24 -14.742 1.362 0.805 1.00 0.00 N ATOM 366 CA VAL A 24 -13.922 0.218 0.433 1.00 0.00 C ATOM 367 C VAL A 24 -14.550 -1.083 0.931 1.00 0.00 C ATOM 368 O VAL A 24 -15.165 -1.148 1.993 1.00 0.00 O ATOM 369 CB VAL A 24 -12.493 0.413 0.972 1.00 0.00 C ATOM 370 CG1 VAL A 24 -12.515 0.566 2.489 1.00 0.00 C ATOM 371 CG2 VAL A 24 -11.570 -0.741 0.549 1.00 0.00 C ATOM 0 H VAL A 24 -14.218 2.092 1.288 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.868 0.147 -0.653 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.090 1.328 0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.498 0.703 2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -13.118 1.433 2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.945 -0.329 2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.569 -0.571 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.961 -1.681 0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.525 -0.791 -0.539 1.00 0.00 H new ATOM 381 N GLU A 25 -14.328 -2.148 0.177 1.00 0.00 N ATOM 382 CA GLU A 25 -14.854 -3.456 0.487 1.00 0.00 C ATOM 383 C GLU A 25 -13.697 -4.333 0.941 1.00 0.00 C ATOM 384 O GLU A 25 -12.873 -4.739 0.122 1.00 0.00 O ATOM 385 CB GLU A 25 -15.583 -4.014 -0.738 1.00 0.00 C ATOM 386 CG GLU A 25 -16.703 -3.062 -1.178 1.00 0.00 C ATOM 387 CD GLU A 25 -17.458 -3.632 -2.366 1.00 0.00 C ATOM 388 OE1 GLU A 25 -18.178 -4.642 -2.197 1.00 0.00 O ATOM 389 OE2 GLU A 25 -17.265 -3.084 -3.477 1.00 0.00 O ATOM 0 H GLU A 25 -13.770 -2.122 -0.676 1.00 0.00 H new ATOM 0 HA GLU A 25 -15.585 -3.417 1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.876 -4.156 -1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.001 -4.993 -0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.391 -2.895 -0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.280 -2.092 -1.441 1.00 0.00 H new ATOM 396 N SER A 26 -13.638 -4.655 2.236 1.00 0.00 N ATOM 397 CA SER A 26 -12.765 -5.707 2.754 1.00 0.00 C ATOM 398 C SER A 26 -13.077 -7.070 2.117 1.00 0.00 C ATOM 399 O SER A 26 -12.231 -7.959 2.103 1.00 0.00 O ATOM 400 CB SER A 26 -12.868 -5.742 4.285 1.00 0.00 C ATOM 401 OG SER A 26 -14.218 -5.676 4.733 1.00 0.00 O ATOM 0 H SER A 26 -14.195 -4.192 2.954 1.00 0.00 H new ATOM 0 HA SER A 26 -11.734 -5.481 2.482 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.407 -6.657 4.658 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.306 -4.908 4.705 1.00 0.00 H new ATOM 0 HG SER A 26 -14.239 -5.703 5.712 1.00 0.00 H new ATOM 407 N SER A 27 -14.274 -7.224 1.542 1.00 0.00 N ATOM 408 CA SER A 27 -14.678 -8.365 0.735 1.00 0.00 C ATOM 409 C SER A 27 -13.990 -8.402 -0.641 1.00 0.00 C ATOM 410 O SER A 27 -14.244 -9.340 -1.397 1.00 0.00 O ATOM 411 CB SER A 27 -16.198 -8.290 0.558 1.00 0.00 C ATOM 412 OG SER A 27 -16.718 -9.495 0.041 1.00 0.00 O ATOM 0 H SER A 27 -15.012 -6.526 1.634 1.00 0.00 H new ATOM 0 HA SER A 27 -14.376 -9.278 1.248 1.00 0.00 H new ATOM 0 HB2 SER A 27 -16.667 -8.072 1.518 1.00 0.00 H new ATOM 0 HB3 SER A 27 -16.447 -7.468 -0.113 1.00 0.00 H new ATOM 0 HG SER A 27 -16.084 -9.876 -0.602 1.00 0.00 H new ATOM 418 N SER A 28 -13.176 -7.411 -1.012 1.00 0.00 N ATOM 419 CA SER A 28 -12.508 -7.349 -2.301 1.00 0.00 C ATOM 420 C SER A 28 -11.007 -7.312 -2.062 1.00 0.00 C ATOM 421 O SER A 28 -10.536 -6.717 -1.087 1.00 0.00 O ATOM 422 CB SER A 28 -12.991 -6.100 -3.049 1.00 0.00 C ATOM 423 OG SER A 28 -12.453 -6.032 -4.361 1.00 0.00 O ATOM 0 H SER A 28 -12.963 -6.617 -0.408 1.00 0.00 H new ATOM 0 HA SER A 28 -12.741 -8.222 -2.911 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.080 -6.106 -3.102 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.704 -5.208 -2.491 1.00 0.00 H new ATOM 0 HG SER A 28 -12.783 -5.225 -4.809 1.00 0.00 H new ATOM 429 N LYS A 29 -10.240 -7.836 -3.028 1.00 0.00 N ATOM 430 CA LYS A 29 -8.784 -7.714 -3.015 1.00 0.00 C ATOM 431 C LYS A 29 -8.315 -6.285 -2.846 1.00 0.00 C ATOM 432 O LYS A 29 -7.211 -6.073 -2.365 1.00 0.00 O ATOM 433 CB LYS A 29 -8.102 -8.418 -4.195 1.00 0.00 C ATOM 434 CG LYS A 29 -7.913 -7.584 -5.464 1.00 0.00 C ATOM 435 CD LYS A 29 -9.172 -7.584 -6.328 1.00 0.00 C ATOM 436 CE LYS A 29 -9.124 -6.254 -7.049 1.00 0.00 C ATOM 437 NZ LYS A 29 -10.041 -6.196 -8.203 1.00 0.00 N ATOM 0 H LYS A 29 -10.609 -8.349 -3.828 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.460 -8.251 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.123 -8.767 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.686 -9.302 -4.450 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.657 -6.560 -5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.076 -7.980 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.174 -8.418 -7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.072 -7.676 -5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.377 -5.457 -6.349 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.106 -6.067 -7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.967 -5.264 -8.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.786 -6.937 -8.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.018 -6.346 -7.878 1.00 0.00 H new ATOM 451 N LEU A 30 -9.125 -5.325 -3.284 1.00 0.00 N ATOM 452 CA LEU A 30 -8.795 -3.910 -3.297 1.00 0.00 C ATOM 453 C LEU A 30 -8.358 -3.416 -1.906 1.00 0.00 C ATOM 454 O LEU A 30 -7.301 -2.803 -1.798 1.00 0.00 O ATOM 455 CB LEU A 30 -9.958 -3.121 -3.935 1.00 0.00 C ATOM 456 CG LEU A 30 -9.622 -1.681 -4.339 1.00 0.00 C ATOM 457 CD1 LEU A 30 -9.445 -0.799 -3.111 1.00 0.00 C ATOM 458 CD2 LEU A 30 -8.395 -1.574 -5.246 1.00 0.00 C ATOM 0 H LEU A 30 -10.057 -5.520 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.921 -3.732 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.300 -3.659 -4.819 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.791 -3.100 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.474 -1.328 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.207 0.218 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.368 -0.793 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.633 -1.189 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.215 -0.528 -5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.525 -1.980 -4.730 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.570 -2.138 -6.162 1.00 0.00 H new ATOM 470 N TRP A 31 -9.099 -3.704 -0.833 1.00 0.00 N ATOM 471 CA TRP A 31 -8.674 -3.388 0.539 1.00 0.00 C ATOM 472 C TRP A 31 -7.269 -3.920 0.810 1.00 0.00 C ATOM 473 O TRP A 31 -6.386 -3.188 1.271 1.00 0.00 O ATOM 474 CB TRP A 31 -9.705 -4.005 1.501 1.00 0.00 C ATOM 475 CG TRP A 31 -9.353 -4.079 2.958 1.00 0.00 C ATOM 476 CD1 TRP A 31 -9.525 -3.093 3.869 1.00 0.00 C ATOM 477 CD2 TRP A 31 -8.812 -5.216 3.703 1.00 0.00 C ATOM 478 NE1 TRP A 31 -9.123 -3.537 5.113 1.00 0.00 N ATOM 479 CE2 TRP A 31 -8.657 -4.833 5.067 1.00 0.00 C ATOM 480 CE3 TRP A 31 -8.449 -6.539 3.368 1.00 0.00 C ATOM 481 CZ2 TRP A 31 -8.140 -5.706 6.038 1.00 0.00 C ATOM 482 CZ3 TRP A 31 -7.912 -7.418 4.329 1.00 0.00 C ATOM 483 CH2 TRP A 31 -7.747 -7.002 5.662 1.00 0.00 C ATOM 0 H TRP A 31 -10.009 -4.162 -0.887 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.631 -2.309 0.685 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -10.630 -3.435 1.409 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -9.919 -5.017 1.157 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.917 -2.109 3.656 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -9.166 -2.974 5.963 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -8.586 -6.884 2.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -8.045 -5.384 7.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -7.625 -8.418 4.040 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.321 -7.674 6.392 1.00 0.00 H new ATOM 494 N ALA A 32 -7.048 -5.192 0.489 1.00 0.00 N ATOM 495 CA ALA A 32 -5.774 -5.814 0.757 1.00 0.00 C ATOM 496 C ALA A 32 -4.660 -5.252 -0.134 1.00 0.00 C ATOM 497 O ALA A 32 -3.551 -5.081 0.361 1.00 0.00 O ATOM 498 CB ALA A 32 -5.894 -7.319 0.637 1.00 0.00 C ATOM 0 H ALA A 32 -7.736 -5.801 0.046 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.489 -5.577 1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.927 -7.779 0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.628 -7.684 1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.214 -7.579 -0.372 1.00 0.00 H new ATOM 504 N GLN A 33 -4.938 -4.907 -1.400 1.00 0.00 N ATOM 505 CA GLN A 33 -4.006 -4.405 -2.425 1.00 0.00 C ATOM 506 C GLN A 33 -3.180 -3.212 -1.937 1.00 0.00 C ATOM 507 O GLN A 33 -2.129 -2.911 -2.503 1.00 0.00 O ATOM 508 CB GLN A 33 -4.785 -3.965 -3.678 1.00 0.00 C ATOM 509 CG GLN A 33 -5.214 -5.096 -4.622 1.00 0.00 C ATOM 510 CD GLN A 33 -4.292 -5.407 -5.794 1.00 0.00 C ATOM 511 OE1 GLN A 33 -4.069 -6.570 -6.119 1.00 0.00 O ATOM 512 NE2 GLN A 33 -3.799 -4.404 -6.502 1.00 0.00 N ATOM 0 H GLN A 33 -5.889 -4.976 -1.762 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.327 -5.227 -2.652 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.676 -3.424 -3.359 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.169 -3.262 -4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.329 -6.005 -4.031 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.198 -4.849 -5.021 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.990 -3.441 -6.224 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.228 -4.593 -7.326 1.00 0.00 H new ATOM 521 N CYS A 34 -3.666 -2.531 -0.907 1.00 0.00 N ATOM 522 CA CYS A 34 -3.007 -1.448 -0.213 1.00 0.00 C ATOM 523 C CYS A 34 -2.091 -1.978 0.886 1.00 0.00 C ATOM 524 O CYS A 34 -0.872 -1.815 0.838 1.00 0.00 O ATOM 525 CB CYS A 34 -4.121 -0.562 0.331 1.00 0.00 C ATOM 526 SG CYS A 34 -4.876 0.287 -1.064 1.00 0.00 S ATOM 0 H CYS A 34 -4.585 -2.737 -0.516 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.356 -0.877 -0.875 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.862 -1.161 0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.723 0.157 1.046 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.167 0.146 -1.011 1.00 0.00 H new ATOM 532 N VAL A 35 -2.673 -2.605 1.903 1.00 0.00 N ATOM 533 CA VAL A 35 -1.971 -2.989 3.120 1.00 0.00 C ATOM 534 C VAL A 35 -0.877 -4.005 2.858 1.00 0.00 C ATOM 535 O VAL A 35 0.217 -3.920 3.424 1.00 0.00 O ATOM 536 CB VAL A 35 -3.018 -3.511 4.106 1.00 0.00 C ATOM 537 CG1 VAL A 35 -3.637 -4.847 3.768 1.00 0.00 C ATOM 538 CG2 VAL A 35 -2.472 -3.628 5.530 1.00 0.00 C ATOM 0 H VAL A 35 -3.660 -2.864 1.904 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.457 -2.125 3.541 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.794 -2.750 4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.363 -5.116 4.535 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.137 -4.782 2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.858 -5.608 3.723 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.254 -4.003 6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.628 -4.317 5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.144 -2.648 5.876 1.00 0.00 H new ATOM 548 N GLN A 36 -1.179 -4.967 1.994 1.00 0.00 N ATOM 549 CA GLN A 36 -0.275 -6.027 1.636 1.00 0.00 C ATOM 550 C GLN A 36 0.912 -5.436 0.875 1.00 0.00 C ATOM 551 O GLN A 36 1.978 -6.038 0.853 1.00 0.00 O ATOM 552 CB GLN A 36 -1.082 -7.080 0.864 1.00 0.00 C ATOM 553 CG GLN A 36 -1.405 -6.751 -0.602 1.00 0.00 C ATOM 554 CD GLN A 36 -0.414 -7.389 -1.570 1.00 0.00 C ATOM 555 OE1 GLN A 36 0.692 -6.722 -1.842 1.00 0.00 O flip ATOM 556 NE2 GLN A 36 -0.650 -8.473 -2.096 1.00 0.00 N flip ATOM 0 H GLN A 36 -2.080 -5.023 1.519 1.00 0.00 H new ATOM 0 HA GLN A 36 0.159 -6.530 2.500 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.531 -8.020 0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.021 -7.246 1.392 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -2.412 -7.096 -0.836 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.399 -5.670 -0.739 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.511 -8.972 -1.872 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.015 -8.875 -2.757 1.00 0.00 H new ATOM 565 N LEU A 37 0.727 -4.272 0.241 1.00 0.00 N ATOM 566 CA LEU A 37 1.725 -3.647 -0.610 1.00 0.00 C ATOM 567 C LEU A 37 2.651 -2.747 0.210 1.00 0.00 C ATOM 568 O LEU A 37 3.835 -2.703 -0.103 1.00 0.00 O ATOM 569 CB LEU A 37 1.027 -2.944 -1.787 1.00 0.00 C ATOM 570 CG LEU A 37 1.942 -2.700 -3.006 1.00 0.00 C ATOM 571 CD1 LEU A 37 1.126 -2.730 -4.303 1.00 0.00 C ATOM 572 CD2 LEU A 37 2.668 -1.361 -2.934 1.00 0.00 C ATOM 0 H LEU A 37 -0.138 -3.736 0.311 1.00 0.00 H new ATOM 0 HA LEU A 37 2.381 -4.400 -1.047 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.174 -3.545 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.634 -1.987 -1.444 1.00 0.00 H new ATOM 0 HG LEU A 37 2.683 -3.499 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.786 -2.556 -5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.647 -3.703 -4.409 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.363 -1.952 -4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.298 -1.241 -3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.938 -0.553 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.289 -1.331 -2.038 1.00 0.00 H new ATOM 584 N HIS A 38 2.174 -2.109 1.291 1.00 0.00 N ATOM 585 CA HIS A 38 3.033 -1.309 2.171 1.00 0.00 C ATOM 586 C HIS A 38 4.238 -2.113 2.680 1.00 0.00 C ATOM 587 O HIS A 38 5.380 -1.679 2.549 1.00 0.00 O ATOM 588 CB HIS A 38 2.191 -0.732 3.315 1.00 0.00 C ATOM 589 CG HIS A 38 2.970 -0.246 4.514 1.00 0.00 C ATOM 590 ND1 HIS A 38 3.479 1.012 4.701 1.00 0.00 N flip ATOM 591 CD2 HIS A 38 3.167 -0.955 5.680 1.00 0.00 C flip ATOM 592 CE1 HIS A 38 4.019 1.067 5.989 1.00 0.00 C flip ATOM 593 NE2 HIS A 38 3.800 -0.138 6.542 1.00 0.00 N flip ATOM 0 H HIS A 38 1.195 -2.134 1.575 1.00 0.00 H new ATOM 0 HA HIS A 38 3.452 -0.481 1.599 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.601 0.098 2.926 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.487 -1.496 3.646 1.00 0.00 H new ATOM 0 HD1 HIS A 38 3.466 1.773 4.022 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.869 -1.976 5.867 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.514 1.910 6.448 1.00 0.00 H new ATOM 601 N ASN A 39 4.002 -3.308 3.229 1.00 0.00 N ATOM 602 CA ASN A 39 5.106 -4.167 3.655 1.00 0.00 C ATOM 603 C ASN A 39 5.952 -4.596 2.457 1.00 0.00 C ATOM 604 O ASN A 39 7.172 -4.555 2.556 1.00 0.00 O ATOM 605 CB ASN A 39 4.650 -5.376 4.484 1.00 0.00 C ATOM 606 CG ASN A 39 3.770 -6.344 3.712 1.00 0.00 C ATOM 607 OD1 ASN A 39 4.216 -7.351 3.178 1.00 0.00 O ATOM 608 ND2 ASN A 39 2.478 -6.084 3.655 1.00 0.00 N ATOM 0 H ASN A 39 3.072 -3.696 3.386 1.00 0.00 H new ATOM 0 HA ASN A 39 5.727 -3.568 4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 39 5.528 -5.908 4.849 1.00 0.00 H new ATOM 0 HB3 ASN A 39 4.106 -5.022 5.359 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.850 -6.722 3.166 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.107 -5.245 4.100 1.00 0.00 H new ATOM 615 N ASP A 40 5.347 -4.925 1.311 1.00 0.00 N ATOM 616 CA ASP A 40 6.059 -5.333 0.093 1.00 0.00 C ATOM 617 C ASP A 40 7.060 -4.266 -0.384 1.00 0.00 C ATOM 618 O ASP A 40 7.931 -4.606 -1.187 1.00 0.00 O ATOM 619 CB ASP A 40 5.097 -5.652 -1.074 1.00 0.00 C ATOM 620 CG ASP A 40 4.493 -7.053 -1.131 1.00 0.00 C ATOM 621 OD1 ASP A 40 5.173 -8.035 -0.763 1.00 0.00 O ATOM 622 OD2 ASP A 40 3.401 -7.204 -1.724 1.00 0.00 O ATOM 0 H ASP A 40 4.333 -4.916 1.201 1.00 0.00 H new ATOM 0 HA ASP A 40 6.599 -6.238 0.372 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.277 -4.934 -1.039 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.633 -5.479 -2.007 1.00 0.00 H new ATOM 627 N ILE A 41 6.970 -3.007 0.075 1.00 0.00 N ATOM 628 CA ILE A 41 7.989 -1.977 -0.157 1.00 0.00 C ATOM 629 C ILE A 41 9.245 -2.376 0.621 1.00 0.00 C ATOM 630 O ILE A 41 10.304 -2.570 0.036 1.00 0.00 O ATOM 631 CB ILE A 41 7.488 -0.569 0.274 1.00 0.00 C ATOM 632 CG1 ILE A 41 6.114 -0.195 -0.314 1.00 0.00 C ATOM 633 CG2 ILE A 41 8.485 0.559 -0.060 1.00 0.00 C ATOM 634 CD1 ILE A 41 5.950 -0.470 -1.797 1.00 0.00 C ATOM 0 H ILE A 41 6.177 -2.675 0.624 1.00 0.00 H new ATOM 0 HA ILE A 41 8.210 -1.912 -1.222 1.00 0.00 H new ATOM 0 HB ILE A 41 7.393 -0.654 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.343 -0.743 0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.937 0.866 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.075 1.515 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.429 0.374 0.453 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.657 0.586 -1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.950 -0.173 -2.114 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.692 0.099 -2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.090 -1.534 -1.987 1.00 0.00 H new ATOM 646 N LEU A 42 9.122 -2.525 1.942 1.00 0.00 N ATOM 647 CA LEU A 42 10.235 -2.838 2.837 1.00 0.00 C ATOM 648 C LEU A 42 10.800 -4.237 2.550 1.00 0.00 C ATOM 649 O LEU A 42 11.963 -4.501 2.866 1.00 0.00 O ATOM 650 CB LEU A 42 9.790 -2.748 4.311 1.00 0.00 C ATOM 651 CG LEU A 42 9.036 -1.463 4.708 1.00 0.00 C ATOM 652 CD1 LEU A 42 8.787 -1.453 6.222 1.00 0.00 C ATOM 653 CD2 LEU A 42 9.772 -0.177 4.313 1.00 0.00 C ATOM 0 H LEU A 42 8.230 -2.430 2.427 1.00 0.00 H new ATOM 0 HA LEU A 42 11.020 -2.103 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.152 -3.604 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.673 -2.838 4.943 1.00 0.00 H new ATOM 0 HG LEU A 42 8.095 -1.477 4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.254 -0.543 6.497 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.189 -2.321 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.741 -1.488 6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.185 0.688 4.622 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.745 -0.149 4.803 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.910 -0.154 3.232 1.00 0.00 H new ATOM 665 N LEU A 43 9.976 -5.133 1.986 1.00 0.00 N ATOM 666 CA LEU A 43 10.310 -6.528 1.686 1.00 0.00 C ATOM 667 C LEU A 43 10.712 -6.710 0.212 1.00 0.00 C ATOM 668 O LEU A 43 10.691 -7.835 -0.295 1.00 0.00 O ATOM 669 CB LEU A 43 9.146 -7.488 2.043 1.00 0.00 C ATOM 670 CG LEU A 43 8.501 -7.407 3.445 1.00 0.00 C ATOM 671 CD1 LEU A 43 7.768 -8.711 3.782 1.00 0.00 C ATOM 672 CD2 LEU A 43 9.479 -7.031 4.558 1.00 0.00 C ATOM 0 H LEU A 43 9.022 -4.893 1.717 1.00 0.00 H new ATOM 0 HA LEU A 43 11.166 -6.784 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.355 -7.331 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.509 -8.507 1.908 1.00 0.00 H new ATOM 0 HG LEU A 43 7.781 -6.590 3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.322 -8.632 4.773 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.985 -8.889 3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.475 -9.540 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.950 -6.995 5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.273 -7.776 4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.913 -6.054 4.347 1.00 0.00 H new ATOM 684 N ALA A 44 10.969 -5.622 -0.520 1.00 0.00 N ATOM 685 CA ALA A 44 11.266 -5.651 -1.954 1.00 0.00 C ATOM 686 C ALA A 44 12.632 -6.276 -2.281 1.00 0.00 C ATOM 687 O ALA A 44 13.419 -6.620 -1.396 1.00 0.00 O ATOM 688 CB ALA A 44 11.177 -4.231 -2.520 1.00 0.00 C ATOM 0 H ALA A 44 10.976 -4.681 -0.126 1.00 0.00 H new ATOM 0 HA ALA A 44 10.521 -6.293 -2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.398 -4.250 -3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.172 -3.840 -2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.898 -3.591 -2.012 1.00 0.00 H new ATOM 694 N LYS A 45 12.925 -6.403 -3.583 1.00 0.00 N ATOM 695 CA LYS A 45 14.241 -6.798 -4.087 1.00 0.00 C ATOM 696 C LYS A 45 15.290 -5.754 -3.711 1.00 0.00 C ATOM 697 O LYS A 45 16.275 -6.098 -3.055 1.00 0.00 O ATOM 698 CB LYS A 45 14.226 -6.984 -5.614 1.00 0.00 C ATOM 699 CG LYS A 45 13.491 -8.250 -6.087 1.00 0.00 C ATOM 700 CD LYS A 45 14.350 -9.523 -6.021 1.00 0.00 C ATOM 701 CE LYS A 45 15.504 -9.435 -7.027 1.00 0.00 C ATOM 702 NZ LYS A 45 16.278 -10.685 -7.128 1.00 0.00 N ATOM 0 H LYS A 45 12.244 -6.231 -4.322 1.00 0.00 H new ATOM 0 HA LYS A 45 14.495 -7.752 -3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.756 -6.113 -6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.254 -7.018 -5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.599 -8.392 -5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.154 -8.102 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.745 -9.652 -5.013 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.735 -10.397 -6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.104 -9.182 -8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.171 -8.624 -6.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.043 -10.564 -7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.686 -10.917 -6.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 15.652 -11.457 -7.433 1.00 0.00 H new ATOM 716 N ASP A 46 15.078 -4.509 -4.141 1.00 0.00 N ATOM 717 CA ASP A 46 15.994 -3.378 -4.033 1.00 0.00 C ATOM 718 C ASP A 46 15.165 -2.110 -3.893 1.00 0.00 C ATOM 719 O ASP A 46 13.939 -2.143 -3.990 1.00 0.00 O ATOM 720 CB ASP A 46 16.869 -3.204 -5.287 1.00 0.00 C ATOM 721 CG ASP A 46 17.852 -4.342 -5.484 1.00 0.00 C ATOM 722 OD1 ASP A 46 17.488 -5.395 -6.045 1.00 0.00 O ATOM 723 OD2 ASP A 46 19.006 -4.182 -5.020 1.00 0.00 O ATOM 0 H ASP A 46 14.206 -4.250 -4.603 1.00 0.00 H new ATOM 0 HA ASP A 46 16.643 -3.562 -3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.227 -3.130 -6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.418 -2.265 -5.213 1.00 0.00 H new ATOM 728 N THR A 47 15.854 -0.984 -3.767 1.00 0.00 N ATOM 729 CA THR A 47 15.395 0.376 -3.695 1.00 0.00 C ATOM 730 C THR A 47 14.341 0.652 -4.759 1.00 0.00 C ATOM 731 O THR A 47 13.224 1.062 -4.435 1.00 0.00 O ATOM 732 CB THR A 47 16.654 1.217 -3.941 1.00 0.00 C ATOM 733 OG1 THR A 47 17.706 0.815 -3.092 1.00 0.00 O ATOM 734 CG2 THR A 47 16.343 2.695 -3.843 1.00 0.00 C ATOM 0 H THR A 47 16.872 -1.020 -3.706 1.00 0.00 H new ATOM 0 HA THR A 47 14.924 0.604 -2.739 1.00 0.00 H new ATOM 0 HB THR A 47 16.999 1.041 -4.960 1.00 0.00 H new ATOM 0 HG1 THR A 47 18.498 1.365 -3.269 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.251 3.271 -4.021 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.594 2.959 -4.589 1.00 0.00 H new ATOM 0 HG23 THR A 47 15.960 2.921 -2.848 1.00 0.00 H new ATOM 742 N THR A 48 14.713 0.483 -6.033 1.00 0.00 N ATOM 743 CA THR A 48 13.839 0.864 -7.119 1.00 0.00 C ATOM 744 C THR A 48 12.638 -0.079 -7.144 1.00 0.00 C ATOM 745 O THR A 48 11.507 0.377 -7.290 1.00 0.00 O ATOM 746 CB THR A 48 14.630 0.978 -8.441 1.00 0.00 C ATOM 747 OG1 THR A 48 13.862 1.474 -9.523 1.00 0.00 O ATOM 748 CG2 THR A 48 15.311 -0.318 -8.884 1.00 0.00 C ATOM 0 H THR A 48 15.607 0.088 -6.323 1.00 0.00 H new ATOM 0 HA THR A 48 13.430 1.863 -6.970 1.00 0.00 H new ATOM 0 HB THR A 48 15.404 1.703 -8.190 1.00 0.00 H new ATOM 0 HG1 THR A 48 13.394 2.289 -9.245 1.00 0.00 H new ATOM 0 HG21 THR A 48 15.843 -0.148 -9.820 1.00 0.00 H new ATOM 0 HG22 THR A 48 16.017 -0.638 -8.118 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.558 -1.093 -9.030 1.00 0.00 H new ATOM 756 N GLU A 49 12.868 -1.377 -6.926 1.00 0.00 N ATOM 757 CA GLU A 49 11.823 -2.392 -6.894 1.00 0.00 C ATOM 758 C GLU A 49 10.860 -2.147 -5.717 1.00 0.00 C ATOM 759 O GLU A 49 9.721 -2.617 -5.737 1.00 0.00 O ATOM 760 CB GLU A 49 12.465 -3.784 -6.819 1.00 0.00 C ATOM 761 CG GLU A 49 11.473 -4.926 -7.136 1.00 0.00 C ATOM 762 CD GLU A 49 11.613 -5.589 -8.514 1.00 0.00 C ATOM 763 OE1 GLU A 49 12.712 -5.647 -9.104 1.00 0.00 O ATOM 764 OE2 GLU A 49 10.607 -6.200 -8.945 1.00 0.00 O ATOM 0 H GLU A 49 13.802 -1.753 -6.765 1.00 0.00 H new ATOM 0 HA GLU A 49 11.233 -2.333 -7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.300 -3.831 -7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.877 -3.935 -5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.584 -5.697 -6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.460 -4.533 -7.047 1.00 0.00 H new ATOM 771 N ALA A 50 11.288 -1.398 -4.692 1.00 0.00 N ATOM 772 CA ALA A 50 10.419 -1.007 -3.603 1.00 0.00 C ATOM 773 C ALA A 50 9.373 -0.043 -4.144 1.00 0.00 C ATOM 774 O ALA A 50 8.184 -0.358 -4.112 1.00 0.00 O ATOM 775 CB ALA A 50 11.226 -0.428 -2.438 1.00 0.00 C ATOM 0 H ALA A 50 12.244 -1.053 -4.606 1.00 0.00 H new ATOM 0 HA ALA A 50 9.903 -1.876 -3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.549 -0.142 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.928 -1.178 -2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.777 0.449 -2.777 1.00 0.00 H new ATOM 781 N PHE A 51 9.775 1.125 -4.654 1.00 0.00 N ATOM 782 CA PHE A 51 8.772 2.081 -5.102 1.00 0.00 C ATOM 783 C PHE A 51 8.075 1.645 -6.388 1.00 0.00 C ATOM 784 O PHE A 51 6.945 2.069 -6.617 1.00 0.00 O ATOM 785 CB PHE A 51 9.311 3.508 -5.191 1.00 0.00 C ATOM 786 CG PHE A 51 10.393 3.744 -6.211 1.00 0.00 C ATOM 787 CD1 PHE A 51 10.105 3.676 -7.584 1.00 0.00 C ATOM 788 CD2 PHE A 51 11.685 4.080 -5.783 1.00 0.00 C ATOM 789 CE1 PHE A 51 11.126 3.859 -8.522 1.00 0.00 C ATOM 790 CE2 PHE A 51 12.685 4.354 -6.723 1.00 0.00 C ATOM 791 CZ PHE A 51 12.423 4.195 -8.098 1.00 0.00 C ATOM 0 H PHE A 51 10.746 1.419 -4.762 1.00 0.00 H new ATOM 0 HA PHE A 51 8.007 2.092 -4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.479 4.176 -5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.695 3.792 -4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.095 3.482 -7.915 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.909 4.127 -4.727 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.917 3.742 -9.575 1.00 0.00 H new ATOM 0 HE2 PHE A 51 13.658 4.688 -6.394 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.213 4.330 -8.821 1.00 0.00 H new ATOM 801 N GLU A 52 8.676 0.765 -7.190 1.00 0.00 N ATOM 802 CA GLU A 52 8.119 0.268 -8.452 1.00 0.00 C ATOM 803 C GLU A 52 6.696 -0.273 -8.308 1.00 0.00 C ATOM 804 O GLU A 52 5.958 -0.312 -9.290 1.00 0.00 O ATOM 805 CB GLU A 52 9.013 -0.851 -9.018 1.00 0.00 C ATOM 806 CG GLU A 52 10.142 -0.399 -9.964 1.00 0.00 C ATOM 807 CD GLU A 52 9.921 -0.999 -11.357 1.00 0.00 C ATOM 808 OE1 GLU A 52 9.093 -0.446 -12.114 1.00 0.00 O ATOM 809 OE2 GLU A 52 10.504 -2.069 -11.655 1.00 0.00 O ATOM 0 H GLU A 52 9.590 0.366 -6.975 1.00 0.00 H new ATOM 0 HA GLU A 52 8.085 1.122 -9.128 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.460 -1.390 -8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.380 -1.560 -9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.164 0.689 -10.026 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.108 -0.716 -9.570 1.00 0.00 H new ATOM 816 N LYS A 53 6.295 -0.698 -7.108 1.00 0.00 N ATOM 817 CA LYS A 53 4.929 -1.126 -6.824 1.00 0.00 C ATOM 818 C LYS A 53 4.123 -0.037 -6.111 1.00 0.00 C ATOM 819 O LYS A 53 2.913 0.037 -6.321 1.00 0.00 O ATOM 820 CB LYS A 53 4.957 -2.483 -6.097 1.00 0.00 C ATOM 821 CG LYS A 53 5.829 -2.469 -4.840 1.00 0.00 C ATOM 822 CD LYS A 53 5.943 -3.831 -4.151 1.00 0.00 C ATOM 823 CE LYS A 53 7.224 -4.499 -4.657 1.00 0.00 C ATOM 824 NZ LYS A 53 7.688 -5.615 -3.806 1.00 0.00 N ATOM 0 H LYS A 53 6.917 -0.754 -6.301 1.00 0.00 H new ATOM 0 HA LYS A 53 4.391 -1.281 -7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.940 -2.764 -5.824 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.326 -3.248 -6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.828 -2.122 -5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.419 -1.748 -4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.976 -3.711 -3.068 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.074 -4.449 -4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.055 -4.870 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.013 -3.750 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.625 -5.931 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.751 -5.295 -2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.015 -6.405 -3.872 1.00 0.00 H new ATOM 838 N MET A 54 4.738 0.850 -5.313 1.00 0.00 N ATOM 839 CA MET A 54 3.973 1.952 -4.724 1.00 0.00 C ATOM 840 C MET A 54 3.505 2.954 -5.779 1.00 0.00 C ATOM 841 O MET A 54 2.395 3.477 -5.664 1.00 0.00 O ATOM 842 CB MET A 54 4.702 2.649 -3.569 1.00 0.00 C ATOM 843 CG MET A 54 5.675 3.778 -3.917 1.00 0.00 C ATOM 844 SD MET A 54 6.350 4.604 -2.457 1.00 0.00 S ATOM 845 CE MET A 54 7.454 3.319 -1.834 1.00 0.00 C ATOM 0 H MET A 54 5.728 0.827 -5.069 1.00 0.00 H new ATOM 0 HA MET A 54 3.086 1.493 -4.289 1.00 0.00 H new ATOM 0 HB2 MET A 54 3.949 3.053 -2.893 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.254 1.890 -3.015 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.495 3.374 -4.510 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.163 4.512 -4.539 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.771 3.571 -0.822 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.930 2.363 -1.823 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.328 3.246 -2.481 1.00 0.00 H new ATOM 855 N VAL A 55 4.320 3.231 -6.799 1.00 0.00 N ATOM 856 CA VAL A 55 3.984 4.178 -7.859 1.00 0.00 C ATOM 857 C VAL A 55 2.804 3.635 -8.687 1.00 0.00 C ATOM 858 O VAL A 55 2.029 4.408 -9.238 1.00 0.00 O ATOM 859 CB VAL A 55 5.248 4.490 -8.698 1.00 0.00 C ATOM 860 CG1 VAL A 55 4.959 5.521 -9.795 1.00 0.00 C ATOM 861 CG2 VAL A 55 6.386 5.086 -7.843 1.00 0.00 C ATOM 0 H VAL A 55 5.238 2.800 -6.911 1.00 0.00 H new ATOM 0 HA VAL A 55 3.651 5.127 -7.439 1.00 0.00 H new ATOM 0 HB VAL A 55 5.547 3.532 -9.123 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.870 5.714 -10.362 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.190 5.135 -10.464 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.612 6.449 -9.340 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.250 5.287 -8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.048 6.015 -7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.665 4.377 -7.064 1.00 0.00 H new ATOM 871 N SER A 56 2.586 2.319 -8.714 1.00 0.00 N ATOM 872 CA SER A 56 1.409 1.728 -9.340 1.00 0.00 C ATOM 873 C SER A 56 0.186 1.843 -8.425 1.00 0.00 C ATOM 874 O SER A 56 -0.919 2.137 -8.898 1.00 0.00 O ATOM 875 CB SER A 56 1.716 0.268 -9.676 1.00 0.00 C ATOM 876 OG SER A 56 2.912 0.222 -10.428 1.00 0.00 O ATOM 0 H SER A 56 3.222 1.636 -8.302 1.00 0.00 H new ATOM 0 HA SER A 56 1.171 2.267 -10.257 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.821 -0.317 -8.762 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.895 -0.171 -10.243 1.00 0.00 H new ATOM 0 HG SER A 56 3.666 0.032 -9.832 1.00 0.00 H new ATOM 882 N LEU A 57 0.388 1.659 -7.113 1.00 0.00 N ATOM 883 CA LEU A 57 -0.657 1.615 -6.100 1.00 0.00 C ATOM 884 C LEU A 57 -1.424 2.929 -6.124 1.00 0.00 C ATOM 885 O LEU A 57 -2.644 2.923 -6.270 1.00 0.00 O ATOM 886 CB LEU A 57 -0.065 1.259 -4.718 1.00 0.00 C ATOM 887 CG LEU A 57 -0.892 1.727 -3.494 1.00 0.00 C ATOM 888 CD1 LEU A 57 -1.111 0.620 -2.458 1.00 0.00 C ATOM 889 CD2 LEU A 57 -0.197 2.912 -2.819 1.00 0.00 C ATOM 0 H LEU A 57 1.321 1.533 -6.721 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.371 0.821 -6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.054 0.177 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.932 1.693 -4.647 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.872 2.017 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.696 1.011 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.646 -0.210 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.147 0.270 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.783 3.236 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.797 2.610 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.109 3.734 -3.529 1.00 0.00 H new ATOM 901 N LEU A 58 -0.739 4.066 -6.031 1.00 0.00 N ATOM 902 CA LEU A 58 -1.418 5.351 -5.872 1.00 0.00 C ATOM 903 C LEU A 58 -2.335 5.728 -7.038 1.00 0.00 C ATOM 904 O LEU A 58 -3.112 6.674 -6.925 1.00 0.00 O ATOM 905 CB LEU A 58 -0.411 6.477 -5.573 1.00 0.00 C ATOM 906 CG LEU A 58 0.802 6.568 -6.518 1.00 0.00 C ATOM 907 CD1 LEU A 58 0.453 6.662 -7.995 1.00 0.00 C ATOM 908 CD2 LEU A 58 1.722 7.723 -6.125 1.00 0.00 C ATOM 0 H LEU A 58 0.279 4.125 -6.063 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.077 5.226 -5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.941 7.429 -5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.044 6.348 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 58 1.322 5.618 -6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.369 6.722 -8.582 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.111 5.778 -8.292 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.149 7.553 -8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.569 7.762 -6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.170 8.661 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.084 7.570 -5.108 1.00 0.00 H new ATOM 920 N SER A 59 -2.275 5.006 -8.153 1.00 0.00 N ATOM 921 CA SER A 59 -2.966 5.334 -9.376 1.00 0.00 C ATOM 922 C SER A 59 -4.103 4.341 -9.623 1.00 0.00 C ATOM 923 O SER A 59 -5.013 4.686 -10.368 1.00 0.00 O ATOM 924 CB SER A 59 -1.941 5.413 -10.524 1.00 0.00 C ATOM 925 OG SER A 59 -2.423 6.152 -11.632 1.00 0.00 O ATOM 0 H SER A 59 -1.724 4.151 -8.223 1.00 0.00 H new ATOM 0 HA SER A 59 -3.441 6.312 -9.307 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.023 5.872 -10.156 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.685 4.404 -10.848 1.00 0.00 H new ATOM 0 HG SER A 59 -1.738 6.175 -12.333 1.00 0.00 H new ATOM 931 N VAL A 60 -4.108 3.146 -9.020 1.00 0.00 N ATOM 932 CA VAL A 60 -5.235 2.221 -9.142 1.00 0.00 C ATOM 933 C VAL A 60 -6.407 2.776 -8.327 1.00 0.00 C ATOM 934 O VAL A 60 -7.530 2.897 -8.813 1.00 0.00 O ATOM 935 CB VAL A 60 -4.807 0.766 -8.791 1.00 0.00 C ATOM 936 CG1 VAL A 60 -3.939 0.588 -7.548 1.00 0.00 C ATOM 937 CG2 VAL A 60 -6.004 -0.194 -8.739 1.00 0.00 C ATOM 0 H VAL A 60 -3.342 2.799 -8.443 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.579 2.147 -10.174 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.156 0.508 -9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.710 -0.469 -7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.012 1.148 -7.668 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.475 0.958 -6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.656 -1.197 -8.491 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.709 0.144 -7.979 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.499 -0.212 -9.710 1.00 0.00 H new ATOM 947 N LEU A 61 -6.140 3.160 -7.080 1.00 0.00 N ATOM 948 CA LEU A 61 -7.175 3.433 -6.089 1.00 0.00 C ATOM 949 C LEU A 61 -7.849 4.743 -6.380 1.00 0.00 C ATOM 950 O LEU A 61 -9.067 4.817 -6.435 1.00 0.00 O ATOM 951 CB LEU A 61 -6.540 3.501 -4.708 1.00 0.00 C ATOM 952 CG LEU A 61 -6.005 2.108 -4.359 1.00 0.00 C ATOM 953 CD1 LEU A 61 -4.631 2.237 -3.764 1.00 0.00 C ATOM 954 CD2 LEU A 61 -6.980 1.365 -3.480 1.00 0.00 C ATOM 0 H LEU A 61 -5.192 3.291 -6.728 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.916 2.635 -6.127 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.732 4.233 -4.697 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.273 3.823 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.907 1.504 -5.261 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.248 1.247 -3.515 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.966 2.713 -4.485 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.681 2.845 -2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.580 0.379 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.136 1.923 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.930 1.256 -4.002 1.00 0.00 H new ATOM 966 N LEU A 62 -7.062 5.788 -6.597 1.00 0.00 N ATOM 967 CA LEU A 62 -7.594 7.094 -6.932 1.00 0.00 C ATOM 968 C LEU A 62 -8.369 7.006 -8.245 1.00 0.00 C ATOM 969 O LEU A 62 -9.429 7.619 -8.344 1.00 0.00 O ATOM 970 CB LEU A 62 -6.427 8.084 -7.031 1.00 0.00 C ATOM 971 CG LEU A 62 -6.114 8.783 -5.694 1.00 0.00 C ATOM 972 CD1 LEU A 62 -5.890 7.807 -4.527 1.00 0.00 C ATOM 973 CD2 LEU A 62 -4.846 9.615 -5.876 1.00 0.00 C ATOM 0 H LEU A 62 -6.044 5.751 -6.545 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.283 7.442 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.538 7.556 -7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.660 8.838 -7.783 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.981 9.393 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.675 8.369 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.787 7.206 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.049 7.152 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.605 10.120 -4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.020 8.962 -6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.007 10.357 -6.658 1.00 0.00 H new ATOM 985 N SER A 63 -7.932 6.160 -9.186 1.00 0.00 N ATOM 986 CA SER A 63 -8.673 5.899 -10.421 1.00 0.00 C ATOM 987 C SER A 63 -9.962 5.105 -10.160 1.00 0.00 C ATOM 988 O SER A 63 -10.658 4.762 -11.114 1.00 0.00 O ATOM 989 CB SER A 63 -7.766 5.189 -11.438 1.00 0.00 C ATOM 990 OG SER A 63 -8.342 5.118 -12.730 1.00 0.00 O ATOM 0 H SER A 63 -7.058 5.640 -9.111 1.00 0.00 H new ATOM 0 HA SER A 63 -8.981 6.856 -10.842 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.813 5.715 -11.498 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.551 4.180 -11.085 1.00 0.00 H new ATOM 0 HG SER A 63 -9.310 4.990 -12.650 1.00 0.00 H new ATOM 996 N MET A 64 -10.298 4.783 -8.910 1.00 0.00 N ATOM 997 CA MET A 64 -11.553 4.161 -8.539 1.00 0.00 C ATOM 998 C MET A 64 -12.314 4.997 -7.492 1.00 0.00 C ATOM 999 O MET A 64 -13.539 4.872 -7.437 1.00 0.00 O ATOM 1000 CB MET A 64 -11.303 2.679 -8.175 1.00 0.00 C ATOM 1001 CG MET A 64 -11.111 2.320 -6.695 1.00 0.00 C ATOM 1002 SD MET A 64 -12.628 1.580 -6.016 1.00 0.00 S ATOM 1003 CE MET A 64 -12.016 1.253 -4.362 1.00 0.00 C ATOM 0 H MET A 64 -9.684 4.955 -8.114 1.00 0.00 H new ATOM 0 HA MET A 64 -12.239 4.144 -9.386 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.143 2.097 -8.553 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.417 2.348 -8.716 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.280 1.622 -6.589 1.00 0.00 H new ATOM 0 HG3 MET A 64 -10.851 3.214 -6.129 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.483 0.348 -3.973 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.935 1.118 -4.394 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.258 2.094 -3.712 1.00 0.00 H new ATOM 1013 N GLN A 65 -11.664 5.878 -6.707 1.00 0.00 N ATOM 1014 CA GLN A 65 -12.290 6.445 -5.505 1.00 0.00 C ATOM 1015 C GLN A 65 -11.926 7.880 -5.072 1.00 0.00 C ATOM 1016 O GLN A 65 -12.512 8.327 -4.094 1.00 0.00 O ATOM 1017 CB GLN A 65 -12.052 5.467 -4.343 1.00 0.00 C ATOM 1018 CG GLN A 65 -10.677 5.553 -3.670 1.00 0.00 C ATOM 1019 CD GLN A 65 -10.334 4.285 -2.893 1.00 0.00 C ATOM 1020 OE1 GLN A 65 -10.625 4.191 -1.609 1.00 0.00 O flip ATOM 1021 NE2 GLN A 65 -9.775 3.329 -3.423 1.00 0.00 N flip ATOM 0 H GLN A 65 -10.715 6.208 -6.884 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.337 6.563 -5.785 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.817 5.638 -3.586 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.192 4.451 -4.713 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.914 5.730 -4.428 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.658 6.408 -2.994 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.534 3.364 -4.414 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.552 2.500 -2.873 1.00 0.00 H new ATOM 1030 N GLY A 66 -10.994 8.599 -5.712 1.00 0.00 N ATOM 1031 CA GLY A 66 -10.711 10.002 -5.363 1.00 0.00 C ATOM 1032 C GLY A 66 -10.408 10.237 -3.876 1.00 0.00 C ATOM 1033 O GLY A 66 -11.083 11.033 -3.210 1.00 0.00 O ATOM 0 H GLY A 66 -10.422 8.234 -6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.862 10.346 -5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.566 10.614 -5.648 1.00 0.00 H new ATOM 1037 N ALA A 67 -9.416 9.514 -3.349 1.00 0.00 N ATOM 1038 CA ALA A 67 -8.948 9.625 -1.969 1.00 0.00 C ATOM 1039 C ALA A 67 -7.718 10.533 -1.830 1.00 0.00 C ATOM 1040 O ALA A 67 -7.034 10.778 -2.821 1.00 0.00 O ATOM 1041 CB ALA A 67 -8.563 8.233 -1.500 1.00 0.00 C ATOM 0 H ALA A 67 -8.903 8.816 -3.888 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.750 10.063 -1.374 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.208 8.281 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.432 7.577 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.772 7.840 -2.138 1.00 0.00 H new ATOM 1047 N VAL A 68 -7.378 10.943 -0.599 1.00 0.00 N ATOM 1048 CA VAL A 68 -6.307 11.929 -0.367 1.00 0.00 C ATOM 1049 C VAL A 68 -5.003 11.318 0.141 1.00 0.00 C ATOM 1050 O VAL A 68 -3.941 11.543 -0.431 1.00 0.00 O ATOM 1051 CB VAL A 68 -6.768 13.035 0.605 1.00 0.00 C ATOM 1052 CG1 VAL A 68 -7.291 14.232 -0.184 1.00 0.00 C ATOM 1053 CG2 VAL A 68 -7.859 12.598 1.590 1.00 0.00 C ATOM 0 H VAL A 68 -7.828 10.608 0.253 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.098 12.358 -1.347 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.887 13.289 1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.615 15.010 0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.498 14.621 -0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.134 13.921 -0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.123 13.436 2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.740 12.274 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.490 11.773 2.199 1.00 0.00 H new ATOM 1063 N ASP A 69 -5.062 10.577 1.249 1.00 0.00 N ATOM 1064 CA ASP A 69 -3.936 10.161 2.098 1.00 0.00 C ATOM 1065 C ASP A 69 -2.863 9.309 1.409 1.00 0.00 C ATOM 1066 O ASP A 69 -1.873 8.938 2.037 1.00 0.00 O ATOM 1067 CB ASP A 69 -4.483 9.482 3.369 1.00 0.00 C ATOM 1068 CG ASP A 69 -5.113 10.447 4.373 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -6.142 11.075 4.046 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -4.629 10.518 5.522 1.00 0.00 O ATOM 0 H ASP A 69 -5.953 10.227 1.603 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.398 11.073 2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.227 8.740 3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.671 8.945 3.859 1.00 0.00 H new ATOM 1075 N ILE A 70 -3.008 9.027 0.117 1.00 0.00 N ATOM 1076 CA ILE A 70 -2.237 8.042 -0.612 1.00 0.00 C ATOM 1077 C ILE A 70 -0.759 8.437 -0.697 1.00 0.00 C ATOM 1078 O ILE A 70 0.122 7.583 -0.752 1.00 0.00 O ATOM 1079 CB ILE A 70 -2.922 7.836 -1.981 1.00 0.00 C ATOM 1080 CG1 ILE A 70 -2.570 6.503 -2.655 1.00 0.00 C ATOM 1081 CG2 ILE A 70 -2.631 8.984 -2.960 1.00 0.00 C ATOM 1082 CD1 ILE A 70 -3.192 5.285 -1.969 1.00 0.00 C ATOM 0 H ILE A 70 -3.696 9.502 -0.468 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.223 7.085 -0.091 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.986 7.821 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -2.900 6.532 -3.693 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.486 6.388 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.135 8.791 -3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.995 9.922 -2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.556 9.055 -3.129 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.900 4.379 -2.500 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.842 5.230 -0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.278 5.377 -1.979 1.00 0.00 H new ATOM 1094 N ASN A 71 -0.480 9.740 -0.680 1.00 0.00 N ATOM 1095 CA ASN A 71 0.866 10.292 -0.745 1.00 0.00 C ATOM 1096 C ASN A 71 1.463 10.531 0.639 1.00 0.00 C ATOM 1097 O ASN A 71 2.601 10.989 0.718 1.00 0.00 O ATOM 1098 CB ASN A 71 0.841 11.611 -1.544 1.00 0.00 C ATOM 1099 CG ASN A 71 1.161 11.472 -3.033 1.00 0.00 C ATOM 1100 OD1 ASN A 71 1.111 10.279 -3.607 1.00 0.00 O flip ATOM 1101 ND2 ASN A 71 1.453 12.462 -3.700 1.00 0.00 N flip ATOM 0 H ASN A 71 -1.204 10.456 -0.619 1.00 0.00 H new ATOM 0 HA ASN A 71 1.501 9.561 -1.246 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.146 12.062 -1.441 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.556 12.302 -1.097 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.492 13.381 -3.259 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.657 12.365 -4.695 1.00 0.00 H new ATOM 1108 N ARG A 72 0.758 10.237 1.739 1.00 0.00 N ATOM 1109 CA ARG A 72 1.471 10.124 3.008 1.00 0.00 C ATOM 1110 C ARG A 72 2.300 8.850 2.953 1.00 0.00 C ATOM 1111 O ARG A 72 3.512 8.900 3.130 1.00 0.00 O ATOM 1112 CB ARG A 72 0.551 10.046 4.237 1.00 0.00 C ATOM 1113 CG ARG A 72 -0.099 11.343 4.724 1.00 0.00 C ATOM 1114 CD ARG A 72 -1.399 11.602 3.970 1.00 0.00 C ATOM 1115 NE ARG A 72 -2.287 12.566 4.639 1.00 0.00 N ATOM 1116 CZ ARG A 72 -2.784 13.691 4.117 1.00 0.00 C ATOM 1117 NH1 ARG A 72 -2.209 14.259 3.061 1.00 0.00 N ATOM 1118 NH2 ARG A 72 -3.873 14.223 4.656 1.00 0.00 N ATOM 0 H ARG A 72 -0.249 10.081 1.776 1.00 0.00 H new ATOM 0 HA ARG A 72 2.073 11.025 3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.245 9.335 4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.129 9.630 5.062 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.298 11.278 5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.586 12.178 4.578 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.163 11.971 2.972 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.930 10.659 3.844 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.550 12.353 5.601 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.381 13.836 2.642 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -2.596 15.118 2.670 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.318 13.774 5.456 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.266 15.082 4.270 1.00 0.00 H new ATOM 1132 N LEU A 73 1.636 7.703 2.740 1.00 0.00 N ATOM 1133 CA LEU A 73 2.287 6.413 2.926 1.00 0.00 C ATOM 1134 C LEU A 73 3.473 6.235 1.995 1.00 0.00 C ATOM 1135 O LEU A 73 4.409 5.579 2.429 1.00 0.00 O ATOM 1136 CB LEU A 73 1.354 5.191 2.837 1.00 0.00 C ATOM 1137 CG LEU A 73 0.552 5.052 1.529 1.00 0.00 C ATOM 1138 CD1 LEU A 73 0.467 3.607 1.045 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -0.876 5.540 1.746 1.00 0.00 C ATOM 0 H LEU A 73 0.662 7.650 2.443 1.00 0.00 H new ATOM 0 HA LEU A 73 2.638 6.446 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.953 4.290 2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.651 5.233 3.669 1.00 0.00 H new ATOM 0 HG LEU A 73 1.075 5.647 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.109 3.566 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.471 3.224 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.023 2.997 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.440 5.440 0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.350 4.943 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.861 6.587 2.050 1.00 0.00 H new ATOM 1151 N CYS A 74 3.470 6.800 0.777 1.00 0.00 N ATOM 1152 CA CYS A 74 4.619 6.696 -0.115 1.00 0.00 C ATOM 1153 C CYS A 74 5.864 7.188 0.589 1.00 0.00 C ATOM 1154 O CYS A 74 6.801 6.429 0.806 1.00 0.00 O ATOM 1155 CB CYS A 74 4.392 7.411 -1.456 1.00 0.00 C ATOM 1156 SG CYS A 74 4.057 9.180 -1.426 1.00 0.00 S ATOM 0 H CYS A 74 2.686 7.329 0.396 1.00 0.00 H new ATOM 0 HA CYS A 74 4.756 5.644 -0.364 1.00 0.00 H new ATOM 0 HB2 CYS A 74 5.275 7.249 -2.074 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.557 6.922 -1.958 1.00 0.00 H new ATOM 0 HG CYS A 74 3.598 9.515 -0.257 1.00 0.00 H new ATOM 1162 N GLU A 75 5.824 8.445 0.993 1.00 0.00 N ATOM 1163 CA GLU A 75 6.948 9.172 1.531 1.00 0.00 C ATOM 1164 C GLU A 75 7.328 8.648 2.919 1.00 0.00 C ATOM 1165 O GLU A 75 8.430 8.924 3.397 1.00 0.00 O ATOM 1166 CB GLU A 75 6.541 10.644 1.581 1.00 0.00 C ATOM 1167 CG GLU A 75 6.263 11.240 0.186 1.00 0.00 C ATOM 1168 CD GLU A 75 7.100 12.477 -0.198 1.00 0.00 C ATOM 1169 OE1 GLU A 75 7.667 13.171 0.679 1.00 0.00 O ATOM 1170 OE2 GLU A 75 7.160 12.805 -1.410 1.00 0.00 O ATOM 0 H GLU A 75 4.972 9.004 0.952 1.00 0.00 H new ATOM 0 HA GLU A 75 7.830 9.042 0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.649 10.748 2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.332 11.218 2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.434 10.464 -0.560 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.208 11.508 0.131 1.00 0.00 H new ATOM 1177 N GLU A 76 6.431 7.905 3.570 1.00 0.00 N ATOM 1178 CA GLU A 76 6.657 7.229 4.830 1.00 0.00 C ATOM 1179 C GLU A 76 7.438 5.924 4.582 1.00 0.00 C ATOM 1180 O GLU A 76 8.579 5.771 5.029 1.00 0.00 O ATOM 1181 CB GLU A 76 5.292 7.015 5.524 1.00 0.00 C ATOM 1182 CG GLU A 76 5.499 6.664 6.995 1.00 0.00 C ATOM 1183 CD GLU A 76 4.213 6.733 7.829 1.00 0.00 C ATOM 1184 OE1 GLU A 76 3.563 7.804 7.887 1.00 0.00 O ATOM 1185 OE2 GLU A 76 3.946 5.743 8.546 1.00 0.00 O ATOM 0 H GLU A 76 5.488 7.757 3.210 1.00 0.00 H new ATOM 0 HA GLU A 76 7.271 7.828 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.687 7.918 5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.743 6.216 5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.914 5.659 7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.236 7.344 7.422 1.00 0.00 H new ATOM 1192 N MET A 77 6.848 4.966 3.860 1.00 0.00 N ATOM 1193 CA MET A 77 7.423 3.635 3.649 1.00 0.00 C ATOM 1194 C MET A 77 8.665 3.664 2.758 1.00 0.00 C ATOM 1195 O MET A 77 9.588 2.878 2.976 1.00 0.00 O ATOM 1196 CB MET A 77 6.342 2.663 3.164 1.00 0.00 C ATOM 1197 CG MET A 77 5.824 2.934 1.751 1.00 0.00 C ATOM 1198 SD MET A 77 4.172 2.243 1.448 1.00 0.00 S ATOM 1199 CE MET A 77 3.868 2.895 -0.206 1.00 0.00 C ATOM 0 H MET A 77 5.947 5.095 3.400 1.00 0.00 H new ATOM 0 HA MET A 77 7.785 3.263 4.607 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.741 1.649 3.201 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.502 2.700 3.857 1.00 0.00 H new ATOM 0 HG2 MET A 77 5.797 4.010 1.581 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.524 2.515 1.028 1.00 0.00 H new ATOM 0 HE1 MET A 77 3.196 2.226 -0.743 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.412 3.882 -0.130 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.812 2.972 -0.746 1.00 0.00 H new ATOM 1209 N LEU A 78 8.733 4.596 1.805 1.00 0.00 N ATOM 1210 CA LEU A 78 9.892 4.777 0.941 1.00 0.00 C ATOM 1211 C LEU A 78 11.122 5.176 1.747 1.00 0.00 C ATOM 1212 O LEU A 78 12.235 4.819 1.378 1.00 0.00 O ATOM 1213 CB LEU A 78 9.558 5.843 -0.116 1.00 0.00 C ATOM 1214 CG LEU A 78 10.579 6.061 -1.240 1.00 0.00 C ATOM 1215 CD1 LEU A 78 11.089 4.743 -1.824 1.00 0.00 C ATOM 1216 CD2 LEU A 78 9.882 6.866 -2.346 1.00 0.00 C ATOM 0 H LEU A 78 7.975 5.251 1.613 1.00 0.00 H new ATOM 0 HA LEU A 78 10.125 3.834 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.604 5.578 -0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.413 6.794 0.397 1.00 0.00 H new ATOM 0 HG LEU A 78 11.442 6.588 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 78 11.809 4.950 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 78 11.571 4.160 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.252 4.178 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 78 10.581 7.040 -3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 78 9.022 6.307 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.548 7.823 -1.944 1.00 0.00 H new ATOM 1228 N ASP A 79 10.939 5.871 2.869 1.00 0.00 N ATOM 1229 CA ASP A 79 12.052 6.283 3.714 1.00 0.00 C ATOM 1230 C ASP A 79 12.339 5.245 4.795 1.00 0.00 C ATOM 1231 O ASP A 79 13.488 5.071 5.202 1.00 0.00 O ATOM 1232 CB ASP A 79 11.784 7.679 4.283 1.00 0.00 C ATOM 1233 CG ASP A 79 12.739 8.671 3.625 1.00 0.00 C ATOM 1234 OD1 ASP A 79 12.520 9.003 2.441 1.00 0.00 O ATOM 1235 OD2 ASP A 79 13.733 9.075 4.269 1.00 0.00 O ATOM 0 H ASP A 79 10.023 6.161 3.213 1.00 0.00 H new ATOM 0 HA ASP A 79 12.958 6.345 3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.750 7.970 4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.925 7.679 5.364 1.00 0.00 H new ATOM 1240 N ASN A 80 11.329 4.470 5.201 1.00 0.00 N ATOM 1241 CA ASN A 80 11.520 3.363 6.139 1.00 0.00 C ATOM 1242 C ASN A 80 12.410 2.268 5.550 1.00 0.00 C ATOM 1243 O ASN A 80 13.079 1.583 6.327 1.00 0.00 O ATOM 1244 CB ASN A 80 10.191 2.763 6.628 1.00 0.00 C ATOM 1245 CG ASN A 80 9.635 3.516 7.831 1.00 0.00 C ATOM 1246 OD1 ASN A 80 9.780 3.080 8.972 1.00 0.00 O ATOM 1247 ND2 ASN A 80 9.064 4.691 7.627 1.00 0.00 N ATOM 0 H ASN A 80 10.365 4.591 4.891 1.00 0.00 H new ATOM 0 HA ASN A 80 12.025 3.791 7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.463 2.786 5.817 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.341 1.716 6.893 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.739 5.245 8.420 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.948 5.044 6.677 1.00 0.00 H new ATOM 1254 N ARG A 81 12.472 2.091 4.221 1.00 0.00 N ATOM 1255 CA ARG A 81 13.519 1.249 3.641 1.00 0.00 C ATOM 1256 C ARG A 81 14.863 1.980 3.632 1.00 0.00 C ATOM 1257 O ARG A 81 15.880 1.364 3.937 1.00 0.00 O ATOM 1258 CB ARG A 81 13.142 0.707 2.251 1.00 0.00 C ATOM 1259 CG ARG A 81 12.916 1.748 1.141 1.00 0.00 C ATOM 1260 CD ARG A 81 13.609 1.372 -0.170 1.00 0.00 C ATOM 1261 NE ARG A 81 13.705 2.533 -1.074 1.00 0.00 N ATOM 1262 CZ ARG A 81 14.584 3.536 -0.937 1.00 0.00 C ATOM 1263 NH1 ARG A 81 15.650 3.399 -0.151 1.00 0.00 N ATOM 1264 NH2 ARG A 81 14.431 4.667 -1.611 1.00 0.00 N ATOM 0 H ARG A 81 11.828 2.508 3.548 1.00 0.00 H new ATOM 0 HA ARG A 81 13.621 0.373 4.282 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.930 0.028 1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.233 0.115 2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.846 1.857 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.284 2.717 1.477 1.00 0.00 H new ATOM 0 HD2 ARG A 81 14.607 0.988 0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.056 0.571 -0.660 1.00 0.00 H new ATOM 0 HE ARG A 81 13.056 2.576 -1.860 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.803 2.526 0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.313 4.168 -0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.638 4.781 -2.242 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.106 5.423 -1.498 1.00 0.00 H new ATOM 1278 N ALA A 82 14.879 3.274 3.304 1.00 0.00 N ATOM 1279 CA ALA A 82 16.073 4.063 3.011 1.00 0.00 C ATOM 1280 C ALA A 82 16.927 4.358 4.237 1.00 0.00 C ATOM 1281 O ALA A 82 18.130 4.613 4.109 1.00 0.00 O ATOM 1282 CB ALA A 82 15.622 5.383 2.373 1.00 0.00 C ATOM 0 H ALA A 82 14.022 3.822 3.233 1.00 0.00 H new ATOM 0 HA ALA A 82 16.700 3.477 2.339 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.495 5.993 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.073 5.174 1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 82 14.976 5.921 3.067 1.00 0.00 H new ATOM 1288 N THR A 83 16.347 4.276 5.431 1.00 0.00 N ATOM 1289 CA THR A 83 17.126 4.376 6.659 1.00 0.00 C ATOM 1290 C THR A 83 18.129 3.192 6.691 1.00 0.00 C ATOM 1291 O THR A 83 19.242 3.329 7.190 1.00 0.00 O ATOM 1292 CB THR A 83 16.146 4.508 7.843 1.00 0.00 C ATOM 1293 OG1 THR A 83 16.676 5.170 8.975 1.00 0.00 O ATOM 1294 CG2 THR A 83 15.600 3.167 8.312 1.00 0.00 C ATOM 0 H THR A 83 15.346 4.141 5.573 1.00 0.00 H new ATOM 0 HA THR A 83 17.751 5.267 6.724 1.00 0.00 H new ATOM 0 HB THR A 83 15.347 5.120 7.425 1.00 0.00 H new ATOM 0 HG1 THR A 83 15.994 5.214 9.677 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.917 3.324 9.146 1.00 0.00 H new ATOM 0 HG22 THR A 83 15.067 2.684 7.493 1.00 0.00 H new ATOM 0 HG23 THR A 83 16.425 2.531 8.633 1.00 0.00 H new ATOM 1302 N LEU A 84 17.803 2.063 6.044 1.00 0.00 N ATOM 1303 CA LEU A 84 18.618 0.853 5.895 1.00 0.00 C ATOM 1304 C LEU A 84 19.193 0.700 4.472 1.00 0.00 C ATOM 1305 O LEU A 84 19.754 -0.338 4.119 1.00 0.00 O ATOM 1306 CB LEU A 84 17.759 -0.362 6.204 1.00 0.00 C ATOM 1307 CG LEU A 84 17.133 -0.409 7.600 1.00 0.00 C ATOM 1308 CD1 LEU A 84 16.053 -1.494 7.626 1.00 0.00 C ATOM 1309 CD2 LEU A 84 18.166 -0.659 8.700 1.00 0.00 C ATOM 0 H LEU A 84 16.900 1.967 5.580 1.00 0.00 H new ATOM 0 HA LEU A 84 19.456 0.935 6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 84 16.957 -0.411 5.467 1.00 0.00 H new ATOM 0 HB3 LEU A 84 18.369 -1.256 6.072 1.00 0.00 H new ATOM 0 HG LEU A 84 16.693 0.567 7.804 1.00 0.00 H new ATOM 0 HD11 LEU A 84 15.602 -1.534 8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.286 -1.262 6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.502 -2.459 7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 84 17.667 -0.683 9.669 1.00 0.00 H new ATOM 0 HD22 LEU A 84 18.662 -1.614 8.524 1.00 0.00 H new ATOM 0 HD23 LEU A 84 18.906 0.141 8.692 1.00 0.00 H new ATOM 1321 N GLN A 85 19.073 1.764 3.680 1.00 0.00 N ATOM 1322 CA GLN A 85 19.736 2.018 2.412 1.00 0.00 C ATOM 1323 C GLN A 85 19.283 1.028 1.351 1.00 0.00 C ATOM 1324 O GLN A 85 18.119 1.172 0.913 1.00 0.00 O ATOM 1325 CB GLN A 85 21.254 2.119 2.644 1.00 0.00 C ATOM 1326 CG GLN A 85 21.600 3.126 3.762 1.00 0.00 C ATOM 1327 CD GLN A 85 22.377 2.485 4.909 1.00 0.00 C ATOM 1328 OE1 GLN A 85 23.594 2.303 4.852 1.00 0.00 O ATOM 1329 NE2 GLN A 85 21.682 2.144 5.977 1.00 0.00 N ATOM 0 H GLN A 85 18.455 2.534 3.936 1.00 0.00 H new ATOM 0 HA GLN A 85 19.441 2.983 1.999 1.00 0.00 H new ATOM 0 HB2 GLN A 85 21.647 1.137 2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 85 21.743 2.422 1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 85 22.187 3.942 3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 85 20.680 3.562 4.150 1.00 0.00 H new ATOM 0 HE21 GLN A 85 20.675 2.304 6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 85 22.152 1.720 6.777 1.00 0.00 H new TER 1338 GLN A 85