USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 690 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 46 TYR OH : rot 30:sc= 0.999 USER MOD Set 1.2: A 61 THR OG1 : rot 81:sc= 1.22 USER MOD Set 2.1: A 37 CYS SG : rot 90:sc= -1.65 USER MOD Set 2.2: A 41 GLN : amide:sc= -0.0745 K(o=-1.7,f=-2.3) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.832 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -4.06! C(o=-4.1!,f=-2!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.014 K(o=-0.014,f=-0.6) USER MOD Single : A 26 SER OG : rot 145:sc= -0.942 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.045) USER MOD Single : A 48 THR OG1 : rot 117:sc= -1.11 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 147:sc= -0.0684 (180deg=-0.512) USER MOD Single : A 53 TYR OH : rot 30:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -5.22! K(o=-5.2!,f=-2.6) USER MOD Single : A 64 THR OG1 : rot -140:sc= -1.07 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -9.47! C(o=-9.5!,f=-11!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0231 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.124 -23.028 -12.952 1.00 0.00 N ATOM 2 CA GLY A 1 -0.254 -22.534 -11.897 1.00 0.00 C ATOM 3 C GLY A 1 -0.716 -23.034 -10.527 1.00 0.00 C ATOM 4 O GLY A 1 -0.871 -24.237 -10.321 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.790 -22.675 -13.871 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.110 -24.068 -12.955 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.095 -22.695 -12.786 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.769 -22.861 -12.081 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.247 -21.444 -11.907 1.00 0.00 H new ATOM 8 N SER A 2 -0.923 -22.086 -9.626 1.00 0.00 N ATOM 9 CA SER A 2 -1.364 -22.415 -8.281 1.00 0.00 C ATOM 10 C SER A 2 -0.401 -23.420 -7.646 1.00 0.00 C ATOM 11 O SER A 2 -0.549 -24.627 -7.829 1.00 0.00 O ATOM 12 CB SER A 2 -2.788 -22.976 -8.290 1.00 0.00 C ATOM 13 OG SER A 2 -3.752 -21.992 -7.925 1.00 0.00 O ATOM 0 H SER A 2 -0.794 -21.089 -9.801 1.00 0.00 H new ATOM 0 HA SER A 2 -1.367 -21.500 -7.688 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.020 -23.360 -9.283 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.850 -23.818 -7.600 1.00 0.00 H new ATOM 0 HG SER A 2 -4.648 -22.389 -7.944 1.00 0.00 H new ATOM 19 N SER A 3 0.564 -22.885 -6.913 1.00 0.00 N ATOM 20 CA SER A 3 1.551 -23.720 -6.249 1.00 0.00 C ATOM 21 C SER A 3 1.447 -23.549 -4.733 1.00 0.00 C ATOM 22 O SER A 3 0.754 -22.653 -4.251 1.00 0.00 O ATOM 23 CB SER A 3 2.965 -23.385 -6.726 1.00 0.00 C ATOM 24 OG SER A 3 3.273 -22.004 -6.554 1.00 0.00 O ATOM 0 H SER A 3 0.684 -21.883 -6.764 1.00 0.00 H new ATOM 0 HA SER A 3 1.347 -24.760 -6.505 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.686 -23.989 -6.175 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.065 -23.651 -7.778 1.00 0.00 H new ATOM 0 HG SER A 3 4.185 -21.831 -6.869 1.00 0.00 H new ATOM 30 N GLY A 4 2.145 -24.422 -4.021 1.00 0.00 N ATOM 31 CA GLY A 4 2.140 -24.378 -2.569 1.00 0.00 C ATOM 32 C GLY A 4 2.854 -23.126 -2.055 1.00 0.00 C ATOM 33 O GLY A 4 2.224 -22.240 -1.480 1.00 0.00 O ATOM 0 H GLY A 4 2.718 -25.164 -4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.113 -24.390 -2.205 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.629 -25.268 -2.173 1.00 0.00 H new ATOM 37 N SER A 5 4.159 -23.093 -2.282 1.00 0.00 N ATOM 38 CA SER A 5 4.965 -21.965 -1.849 1.00 0.00 C ATOM 39 C SER A 5 4.208 -20.657 -2.092 1.00 0.00 C ATOM 40 O SER A 5 3.885 -19.938 -1.148 1.00 0.00 O ATOM 41 CB SER A 5 6.312 -21.940 -2.573 1.00 0.00 C ATOM 42 OG SER A 5 7.000 -23.183 -2.463 1.00 0.00 O ATOM 0 H SER A 5 4.678 -23.830 -2.760 1.00 0.00 H new ATOM 0 HA SER A 5 5.159 -22.073 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.154 -21.705 -3.626 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.932 -21.145 -2.159 1.00 0.00 H new ATOM 0 HG SER A 5 7.854 -23.127 -2.940 1.00 0.00 H new ATOM 48 N SER A 6 3.947 -20.389 -3.363 1.00 0.00 N ATOM 49 CA SER A 6 3.235 -19.181 -3.742 1.00 0.00 C ATOM 50 C SER A 6 1.935 -19.068 -2.943 1.00 0.00 C ATOM 51 O SER A 6 1.714 -18.077 -2.248 1.00 0.00 O ATOM 52 CB SER A 6 2.938 -19.164 -5.243 1.00 0.00 C ATOM 53 OG SER A 6 4.105 -18.894 -6.015 1.00 0.00 O ATOM 0 H SER A 6 4.216 -20.988 -4.143 1.00 0.00 H new ATOM 0 HA SER A 6 3.870 -18.325 -3.515 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.521 -20.126 -5.541 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.181 -18.409 -5.454 1.00 0.00 H new ATOM 0 HG SER A 6 3.874 -18.893 -6.967 1.00 0.00 H new ATOM 59 N GLY A 7 1.109 -20.096 -3.068 1.00 0.00 N ATOM 60 CA GLY A 7 -0.163 -20.124 -2.366 1.00 0.00 C ATOM 61 C GLY A 7 -0.013 -19.594 -0.938 1.00 0.00 C ATOM 62 O GLY A 7 -0.964 -19.064 -0.366 1.00 0.00 O ATOM 0 H GLY A 7 1.296 -20.916 -3.645 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.894 -19.522 -2.906 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.546 -21.144 -2.341 1.00 0.00 H new ATOM 66 N ASP A 8 1.188 -19.757 -0.404 1.00 0.00 N ATOM 67 CA ASP A 8 1.475 -19.302 0.946 1.00 0.00 C ATOM 68 C ASP A 8 1.389 -17.775 0.993 1.00 0.00 C ATOM 69 O ASP A 8 0.709 -17.214 1.851 1.00 0.00 O ATOM 70 CB ASP A 8 2.885 -19.709 1.377 1.00 0.00 C ATOM 71 CG ASP A 8 3.074 -19.888 2.885 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.622 -20.937 3.393 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.666 -18.972 3.495 1.00 0.00 O ATOM 0 H ASP A 8 1.974 -20.198 -0.882 1.00 0.00 H new ATOM 0 HA ASP A 8 0.747 -19.758 1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.145 -20.644 0.880 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.588 -18.954 1.025 1.00 0.00 H new ATOM 78 N GLN A 9 2.088 -17.145 0.060 1.00 0.00 N ATOM 79 CA GLN A 9 2.099 -15.694 -0.015 1.00 0.00 C ATOM 80 C GLN A 9 0.909 -15.196 -0.838 1.00 0.00 C ATOM 81 O GLN A 9 0.565 -14.016 -0.788 1.00 0.00 O ATOM 82 CB GLN A 9 3.419 -15.185 -0.596 1.00 0.00 C ATOM 83 CG GLN A 9 3.584 -15.626 -2.052 1.00 0.00 C ATOM 84 CD GLN A 9 4.870 -15.058 -2.656 1.00 0.00 C ATOM 85 OE1 GLN A 9 5.940 -15.637 -2.558 1.00 0.00 O ATOM 86 NE2 GLN A 9 4.707 -13.897 -3.282 1.00 0.00 N ATOM 0 H GLN A 9 2.651 -17.613 -0.650 1.00 0.00 H new ATOM 0 HA GLN A 9 2.008 -15.297 0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.451 -14.097 -0.536 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.251 -15.562 -0.002 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.603 -16.715 -2.106 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.726 -15.293 -2.636 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.783 -13.467 -3.327 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.506 -13.436 -3.718 1.00 0.00 H new ATOM 95 N LYS A 10 0.313 -16.121 -1.577 1.00 0.00 N ATOM 96 CA LYS A 10 -0.830 -15.791 -2.410 1.00 0.00 C ATOM 97 C LYS A 10 -2.009 -15.398 -1.517 1.00 0.00 C ATOM 98 O LYS A 10 -2.737 -14.454 -1.823 1.00 0.00 O ATOM 99 CB LYS A 10 -1.143 -16.939 -3.371 1.00 0.00 C ATOM 100 CG LYS A 10 -1.351 -16.421 -4.796 1.00 0.00 C ATOM 101 CD LYS A 10 -0.023 -16.342 -5.550 1.00 0.00 C ATOM 102 CE LYS A 10 0.054 -15.067 -6.392 1.00 0.00 C ATOM 103 NZ LYS A 10 0.799 -15.318 -7.647 1.00 0.00 N ATOM 0 H LYS A 10 0.601 -17.099 -1.616 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.606 -14.931 -3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.327 -17.661 -3.358 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.038 -17.464 -3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.037 -17.079 -5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.814 -15.435 -4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.804 -16.364 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.086 -17.215 -6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.952 -14.716 -6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.544 -14.277 -5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.842 -14.442 -8.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.764 -15.632 -7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.315 -16.056 -8.196 1.00 0.00 H new ATOM 117 N LYS A 11 -2.162 -16.142 -0.432 1.00 0.00 N ATOM 118 CA LYS A 11 -3.240 -15.883 0.507 1.00 0.00 C ATOM 119 C LYS A 11 -2.961 -14.576 1.251 1.00 0.00 C ATOM 120 O LYS A 11 -3.873 -13.785 1.488 1.00 0.00 O ATOM 121 CB LYS A 11 -3.445 -17.085 1.432 1.00 0.00 C ATOM 122 CG LYS A 11 -4.346 -18.134 0.777 1.00 0.00 C ATOM 123 CD LYS A 11 -5.821 -17.850 1.072 1.00 0.00 C ATOM 124 CE LYS A 11 -6.591 -19.150 1.315 1.00 0.00 C ATOM 125 NZ LYS A 11 -8.047 -18.889 1.360 1.00 0.00 N ATOM 0 H LYS A 11 -1.557 -16.924 -0.182 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.183 -15.753 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.480 -17.530 1.675 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.889 -16.754 2.371 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.181 -18.139 -0.300 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.082 -19.126 1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.903 -17.205 1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.266 -17.310 0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.368 -19.865 0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.267 -19.602 2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.555 -19.781 1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.257 -18.223 2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.354 -18.479 0.455 1.00 0.00 H new ATOM 139 N PHE A 12 -1.696 -14.388 1.598 1.00 0.00 N ATOM 140 CA PHE A 12 -1.285 -13.190 2.309 1.00 0.00 C ATOM 141 C PHE A 12 -1.507 -11.941 1.454 1.00 0.00 C ATOM 142 O PHE A 12 -2.157 -10.993 1.891 1.00 0.00 O ATOM 143 CB PHE A 12 0.210 -13.334 2.602 1.00 0.00 C ATOM 144 CG PHE A 12 0.939 -12.002 2.789 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.417 -11.330 1.707 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.109 -11.489 4.037 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.093 -10.094 1.880 1.00 0.00 C ATOM 148 CE2 PHE A 12 1.786 -10.252 4.210 1.00 0.00 C ATOM 149 CZ PHE A 12 2.263 -9.581 3.128 1.00 0.00 C ATOM 0 H PHE A 12 -0.942 -15.046 1.400 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.870 -13.081 3.222 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.337 -13.935 3.502 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.679 -13.881 1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.282 -11.737 0.716 1.00 0.00 H new ATOM 0 HD2 PHE A 12 0.729 -12.022 4.896 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.472 -9.561 1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.922 -9.845 5.201 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.777 -8.640 3.260 1.00 0.00 H new ATOM 159 N ILE A 13 -0.954 -11.981 0.251 1.00 0.00 N ATOM 160 CA ILE A 13 -1.084 -10.864 -0.670 1.00 0.00 C ATOM 161 C ILE A 13 -2.567 -10.588 -0.924 1.00 0.00 C ATOM 162 O ILE A 13 -3.012 -9.444 -0.842 1.00 0.00 O ATOM 163 CB ILE A 13 -0.279 -11.125 -1.945 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.013 -9.818 -2.686 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.986 -12.145 -2.840 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.120 -9.027 -1.986 1.00 0.00 C ATOM 0 H ILE A 13 -0.415 -12.769 -0.108 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.662 -9.959 -0.234 1.00 0.00 H new ATOM 0 HB ILE A 13 0.681 -11.556 -1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.310 -10.036 -3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.893 -9.215 -2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.393 -12.313 -3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.100 -13.085 -2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.969 -11.765 -3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.308 -8.103 -2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.810 -8.790 -0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.032 -9.624 -1.958 1.00 0.00 H new ATOM 178 N ASP A 14 -3.291 -11.655 -1.227 1.00 0.00 N ATOM 179 CA ASP A 14 -4.715 -11.541 -1.494 1.00 0.00 C ATOM 180 C ASP A 14 -5.383 -10.770 -0.354 1.00 0.00 C ATOM 181 O ASP A 14 -6.083 -9.786 -0.591 1.00 0.00 O ATOM 182 CB ASP A 14 -5.371 -12.921 -1.579 1.00 0.00 C ATOM 183 CG ASP A 14 -5.790 -13.351 -2.986 1.00 0.00 C ATOM 184 OD1 ASP A 14 -4.890 -13.414 -3.852 1.00 0.00 O ATOM 185 OD2 ASP A 14 -7.000 -13.608 -3.165 1.00 0.00 O ATOM 0 H ASP A 14 -2.919 -12.602 -1.294 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.840 -11.023 -2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.678 -13.662 -1.180 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.251 -12.929 -0.936 1.00 0.00 H new ATOM 190 N GLN A 15 -5.144 -11.245 0.860 1.00 0.00 N ATOM 191 CA GLN A 15 -5.713 -10.612 2.037 1.00 0.00 C ATOM 192 C GLN A 15 -5.442 -9.107 2.014 1.00 0.00 C ATOM 193 O GLN A 15 -6.298 -8.312 2.400 1.00 0.00 O ATOM 194 CB GLN A 15 -5.170 -11.248 3.318 1.00 0.00 C ATOM 195 CG GLN A 15 -5.732 -12.657 3.512 1.00 0.00 C ATOM 196 CD GLN A 15 -6.353 -12.813 4.902 1.00 0.00 C ATOM 197 OE1 GLN A 15 -7.313 -12.149 5.259 1.00 0.00 O ATOM 198 NE2 GLN A 15 -5.755 -13.725 5.663 1.00 0.00 N ATOM 0 H GLN A 15 -4.564 -12.061 1.053 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.792 -10.767 2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.082 -11.290 3.274 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.431 -10.627 4.175 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.483 -12.861 2.749 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.937 -13.391 3.381 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.956 -14.246 5.302 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.096 -13.904 6.608 1.00 0.00 H new ATOM 207 N VAL A 16 -4.247 -8.760 1.558 1.00 0.00 N ATOM 208 CA VAL A 16 -3.853 -7.363 1.480 1.00 0.00 C ATOM 209 C VAL A 16 -4.692 -6.660 0.412 1.00 0.00 C ATOM 210 O VAL A 16 -5.266 -5.602 0.666 1.00 0.00 O ATOM 211 CB VAL A 16 -2.348 -7.259 1.223 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.927 -5.802 1.019 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.552 -7.906 2.358 1.00 0.00 C ATOM 0 H VAL A 16 -3.539 -9.422 1.239 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.044 -6.858 2.427 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.126 -7.804 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.853 -5.755 0.838 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.458 -5.387 0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.170 -5.225 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.486 -7.818 2.150 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.782 -7.402 3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.821 -8.959 2.437 1.00 0.00 H new ATOM 223 N ILE A 17 -4.737 -7.276 -0.760 1.00 0.00 N ATOM 224 CA ILE A 17 -5.497 -6.721 -1.868 1.00 0.00 C ATOM 225 C ILE A 17 -6.815 -6.150 -1.342 1.00 0.00 C ATOM 226 O ILE A 17 -7.152 -5.000 -1.619 1.00 0.00 O ATOM 227 CB ILE A 17 -5.676 -7.767 -2.971 1.00 0.00 C ATOM 228 CG1 ILE A 17 -4.325 -8.321 -3.427 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.486 -7.199 -4.138 1.00 0.00 C ATOM 230 CD1 ILE A 17 -3.259 -7.223 -3.440 1.00 0.00 C ATOM 0 H ILE A 17 -4.260 -8.154 -0.967 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.953 -5.896 -2.328 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.244 -8.602 -2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.015 -9.126 -2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.422 -8.751 -4.424 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.599 -7.962 -4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.470 -6.893 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.967 -6.336 -4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.308 -7.643 -3.768 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.561 -6.431 -4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.148 -6.812 -2.437 1.00 0.00 H new ATOM 242 N GLU A 18 -7.525 -6.980 -0.592 1.00 0.00 N ATOM 243 CA GLU A 18 -8.799 -6.572 -0.024 1.00 0.00 C ATOM 244 C GLU A 18 -8.658 -5.219 0.677 1.00 0.00 C ATOM 245 O GLU A 18 -9.458 -4.313 0.450 1.00 0.00 O ATOM 246 CB GLU A 18 -9.336 -7.634 0.937 1.00 0.00 C ATOM 247 CG GLU A 18 -9.960 -8.802 0.170 1.00 0.00 C ATOM 248 CD GLU A 18 -11.375 -8.457 -0.299 1.00 0.00 C ATOM 249 OE1 GLU A 18 -11.482 -7.890 -1.408 1.00 0.00 O ATOM 250 OE2 GLU A 18 -12.316 -8.768 0.461 1.00 0.00 O ATOM 0 H GLU A 18 -7.242 -7.933 -0.364 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.519 -6.466 -0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.527 -8.000 1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.080 -7.189 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.338 -9.050 -0.690 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.990 -9.686 0.807 1.00 0.00 H new ATOM 257 N LYS A 19 -7.636 -5.126 1.514 1.00 0.00 N ATOM 258 CA LYS A 19 -7.381 -3.899 2.250 1.00 0.00 C ATOM 259 C LYS A 19 -7.225 -2.741 1.262 1.00 0.00 C ATOM 260 O LYS A 19 -7.824 -1.682 1.442 1.00 0.00 O ATOM 261 CB LYS A 19 -6.183 -4.075 3.186 1.00 0.00 C ATOM 262 CG LYS A 19 -6.461 -5.153 4.235 1.00 0.00 C ATOM 263 CD LYS A 19 -5.157 -5.765 4.750 1.00 0.00 C ATOM 264 CE LYS A 19 -5.232 -6.027 6.256 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.654 -7.350 6.582 1.00 0.00 N ATOM 0 H LYS A 19 -6.974 -5.880 1.699 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.226 -3.658 2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.301 -4.346 2.606 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.962 -3.129 3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.018 -4.721 5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.087 -5.933 3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.957 -6.699 4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.326 -5.093 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.694 -5.246 6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.270 -5.985 6.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.713 -7.511 7.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.184 -8.093 6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.658 -7.377 6.284 1.00 0.00 H new ATOM 279 N ILE A 20 -6.416 -2.981 0.241 1.00 0.00 N ATOM 280 CA ILE A 20 -6.174 -1.971 -0.776 1.00 0.00 C ATOM 281 C ILE A 20 -7.492 -1.629 -1.474 1.00 0.00 C ATOM 282 O ILE A 20 -7.997 -0.516 -1.343 1.00 0.00 O ATOM 283 CB ILE A 20 -5.071 -2.428 -1.733 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.755 -2.654 -0.985 1.00 0.00 C ATOM 285 CG2 ILE A 20 -4.910 -1.443 -2.893 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.784 -3.486 -1.825 1.00 0.00 C ATOM 0 H ILE A 20 -5.919 -3.860 0.096 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.807 -1.051 -0.320 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.365 -3.386 -2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.301 -1.693 -0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.952 -3.161 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.120 -1.791 -3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.847 -1.376 -3.446 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.648 -0.460 -2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.857 -3.632 -1.271 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.232 -4.455 -2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.571 -2.964 -2.758 1.00 0.00 H new ATOM 298 N GLU A 21 -8.010 -2.608 -2.200 1.00 0.00 N ATOM 299 CA GLU A 21 -9.260 -2.426 -2.920 1.00 0.00 C ATOM 300 C GLU A 21 -10.239 -1.602 -2.081 1.00 0.00 C ATOM 301 O GLU A 21 -10.794 -0.614 -2.560 1.00 0.00 O ATOM 302 CB GLU A 21 -9.870 -3.773 -3.309 1.00 0.00 C ATOM 303 CG GLU A 21 -9.104 -4.407 -4.472 1.00 0.00 C ATOM 304 CD GLU A 21 -9.739 -4.036 -5.814 1.00 0.00 C ATOM 305 OE1 GLU A 21 -9.432 -2.926 -6.300 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.517 -4.871 -6.323 1.00 0.00 O ATOM 0 H GLU A 21 -7.587 -3.530 -2.306 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.051 -1.881 -3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.855 -4.444 -2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.915 -3.636 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.066 -4.075 -4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.094 -5.491 -4.358 1.00 0.00 H new ATOM 313 N ASP A 22 -10.422 -2.039 -0.844 1.00 0.00 N ATOM 314 CA ASP A 22 -11.325 -1.354 0.066 1.00 0.00 C ATOM 315 C ASP A 22 -10.888 0.105 0.209 1.00 0.00 C ATOM 316 O ASP A 22 -11.701 1.017 0.065 1.00 0.00 O ATOM 317 CB ASP A 22 -11.297 -1.994 1.455 1.00 0.00 C ATOM 318 CG ASP A 22 -12.612 -1.910 2.233 1.00 0.00 C ATOM 319 OD1 ASP A 22 -13.478 -1.121 1.798 1.00 0.00 O ATOM 320 OD2 ASP A 22 -12.721 -2.637 3.244 1.00 0.00 O ATOM 0 H ASP A 22 -9.961 -2.859 -0.450 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.333 -1.424 -0.343 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.021 -3.043 1.349 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.513 -1.516 2.043 1.00 0.00 H new ATOM 325 N PHE A 23 -9.606 0.281 0.490 1.00 0.00 N ATOM 326 CA PHE A 23 -9.051 1.614 0.654 1.00 0.00 C ATOM 327 C PHE A 23 -9.243 2.447 -0.615 1.00 0.00 C ATOM 328 O PHE A 23 -9.462 3.655 -0.542 1.00 0.00 O ATOM 329 CB PHE A 23 -7.554 1.446 0.918 1.00 0.00 C ATOM 330 CG PHE A 23 -6.704 2.635 0.463 1.00 0.00 C ATOM 331 CD1 PHE A 23 -7.069 3.900 0.802 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.585 2.426 -0.280 1.00 0.00 C ATOM 333 CE1 PHE A 23 -6.281 5.004 0.379 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.797 3.529 -0.702 1.00 0.00 C ATOM 335 CZ PHE A 23 -5.161 4.794 -0.364 1.00 0.00 C ATOM 0 H PHE A 23 -8.935 -0.478 0.608 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.553 2.128 1.474 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.399 1.289 1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.205 0.547 0.410 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.958 4.066 1.393 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.295 1.421 -0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.571 6.009 0.647 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.908 3.363 -1.292 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.561 5.633 -0.685 1.00 0.00 H new ATOM 345 N LEU A 24 -9.153 1.768 -1.749 1.00 0.00 N ATOM 346 CA LEU A 24 -9.314 2.431 -3.033 1.00 0.00 C ATOM 347 C LEU A 24 -10.797 2.720 -3.270 1.00 0.00 C ATOM 348 O LEU A 24 -11.144 3.647 -4.000 1.00 0.00 O ATOM 349 CB LEU A 24 -8.661 1.608 -4.146 1.00 0.00 C ATOM 350 CG LEU A 24 -7.191 1.240 -3.934 1.00 0.00 C ATOM 351 CD1 LEU A 24 -6.733 0.202 -4.959 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.306 2.488 -3.946 1.00 0.00 C ATOM 0 H LEU A 24 -8.971 0.766 -1.806 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.798 3.391 -3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.231 0.687 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.745 2.165 -5.079 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.091 0.785 -2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.685 -0.042 -4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.337 -0.700 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.850 0.607 -5.964 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.266 2.198 -3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.404 2.994 -4.906 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.616 3.162 -3.147 1.00 0.00 H new ATOM 364 N GLN A 25 -11.634 1.908 -2.640 1.00 0.00 N ATOM 365 CA GLN A 25 -13.072 2.064 -2.774 1.00 0.00 C ATOM 366 C GLN A 25 -13.535 3.343 -2.072 1.00 0.00 C ATOM 367 O GLN A 25 -14.322 4.109 -2.625 1.00 0.00 O ATOM 368 CB GLN A 25 -13.810 0.841 -2.228 1.00 0.00 C ATOM 369 CG GLN A 25 -13.585 -0.380 -3.122 1.00 0.00 C ATOM 370 CD GLN A 25 -14.761 -0.583 -4.079 1.00 0.00 C ATOM 371 OE1 GLN A 25 -15.482 0.339 -4.422 1.00 0.00 O ATOM 372 NE2 GLN A 25 -14.913 -1.839 -4.490 1.00 0.00 N ATOM 0 H GLN A 25 -11.343 1.140 -2.035 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.311 2.148 -3.834 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.464 0.625 -1.217 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.877 1.055 -2.161 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.665 -0.253 -3.693 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.457 -1.269 -2.504 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -14.273 -2.563 -4.164 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -15.669 -2.078 -5.131 1.00 0.00 H new ATOM 381 N SER A 26 -13.025 3.533 -0.864 1.00 0.00 N ATOM 382 CA SER A 26 -13.376 4.705 -0.080 1.00 0.00 C ATOM 383 C SER A 26 -12.956 5.976 -0.822 1.00 0.00 C ATOM 384 O SER A 26 -11.925 5.995 -1.493 1.00 0.00 O ATOM 385 CB SER A 26 -12.724 4.659 1.303 1.00 0.00 C ATOM 386 OG SER A 26 -13.479 5.379 2.274 1.00 0.00 O ATOM 0 H SER A 26 -12.372 2.895 -0.409 1.00 0.00 H new ATOM 0 HA SER A 26 -14.457 4.712 0.058 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.621 3.621 1.621 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.719 5.076 1.244 1.00 0.00 H new ATOM 0 HG SER A 26 -13.416 4.924 3.140 1.00 0.00 H new ATOM 392 N GLU A 27 -13.776 7.006 -0.676 1.00 0.00 N ATOM 393 CA GLU A 27 -13.502 8.278 -1.324 1.00 0.00 C ATOM 394 C GLU A 27 -12.672 9.175 -0.404 1.00 0.00 C ATOM 395 O GLU A 27 -11.765 9.868 -0.860 1.00 0.00 O ATOM 396 CB GLU A 27 -14.801 8.972 -1.741 1.00 0.00 C ATOM 397 CG GLU A 27 -15.869 8.835 -0.654 1.00 0.00 C ATOM 398 CD GLU A 27 -16.978 9.871 -0.842 1.00 0.00 C ATOM 399 OE1 GLU A 27 -16.820 10.980 -0.287 1.00 0.00 O ATOM 400 OE2 GLU A 27 -17.960 9.531 -1.537 1.00 0.00 O ATOM 0 H GLU A 27 -14.630 6.986 -0.119 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.925 8.086 -2.228 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.608 10.027 -1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.167 8.538 -2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.295 7.832 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.412 8.960 0.328 1.00 0.00 H new ATOM 407 N GLU A 28 -13.013 9.132 0.876 1.00 0.00 N ATOM 408 CA GLU A 28 -12.311 9.933 1.865 1.00 0.00 C ATOM 409 C GLU A 28 -10.865 9.453 2.006 1.00 0.00 C ATOM 410 O GLU A 28 -9.930 10.240 1.874 1.00 0.00 O ATOM 411 CB GLU A 28 -13.034 9.898 3.212 1.00 0.00 C ATOM 412 CG GLU A 28 -13.067 11.287 3.853 1.00 0.00 C ATOM 413 CD GLU A 28 -13.242 11.188 5.369 1.00 0.00 C ATOM 414 OE1 GLU A 28 -14.167 10.458 5.787 1.00 0.00 O ATOM 415 OE2 GLU A 28 -12.448 11.844 6.077 1.00 0.00 O ATOM 0 H GLU A 28 -13.766 8.555 1.251 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.298 10.968 1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.052 9.533 3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.533 9.197 3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.144 11.819 3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.884 11.869 3.426 1.00 0.00 H new ATOM 422 N LYS A 29 -10.727 8.162 2.273 1.00 0.00 N ATOM 423 CA LYS A 29 -9.411 7.568 2.434 1.00 0.00 C ATOM 424 C LYS A 29 -8.460 8.154 1.389 1.00 0.00 C ATOM 425 O LYS A 29 -8.768 8.161 0.198 1.00 0.00 O ATOM 426 CB LYS A 29 -9.504 6.041 2.393 1.00 0.00 C ATOM 427 CG LYS A 29 -10.473 5.522 3.457 1.00 0.00 C ATOM 428 CD LYS A 29 -10.305 4.015 3.663 1.00 0.00 C ATOM 429 CE LYS A 29 -10.322 3.660 5.151 1.00 0.00 C ATOM 430 NZ LYS A 29 -9.984 2.232 5.347 1.00 0.00 N ATOM 0 H LYS A 29 -11.505 7.511 2.382 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.000 7.814 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.836 5.720 1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.516 5.609 2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.298 6.043 4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -11.498 5.740 3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.105 3.483 3.149 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.366 3.686 3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.609 4.286 5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.307 3.867 5.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.000 2.008 6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.680 1.639 4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.035 2.045 4.966 1.00 0.00 H new ATOM 444 N ARG A 30 -7.323 8.632 1.872 1.00 0.00 N ATOM 445 CA ARG A 30 -6.325 9.220 0.995 1.00 0.00 C ATOM 446 C ARG A 30 -5.077 8.336 0.943 1.00 0.00 C ATOM 447 O ARG A 30 -4.426 8.235 -0.096 1.00 0.00 O ATOM 448 CB ARG A 30 -5.930 10.620 1.469 1.00 0.00 C ATOM 449 CG ARG A 30 -7.031 11.635 1.158 1.00 0.00 C ATOM 450 CD ARG A 30 -6.643 12.517 -0.032 1.00 0.00 C ATOM 451 NE ARG A 30 -6.870 13.941 0.299 1.00 0.00 N ATOM 452 CZ ARG A 30 -6.267 14.962 -0.325 1.00 0.00 C ATOM 453 NH1 ARG A 30 -5.398 14.723 -1.316 1.00 0.00 N ATOM 454 NH2 ARG A 30 -6.533 16.223 0.043 1.00 0.00 N ATOM 0 H ARG A 30 -7.070 8.624 2.860 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.763 9.296 -0.000 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.738 10.604 2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.003 10.924 0.984 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.962 11.112 0.939 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.214 12.258 2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.596 12.357 -0.288 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.231 12.240 -0.907 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.526 14.159 1.049 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -5.195 13.763 -1.596 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -4.939 15.501 -1.791 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.194 16.405 0.798 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.074 17.000 -0.432 1.00 0.00 H new ATOM 468 N SER A 31 -4.782 7.717 2.077 1.00 0.00 N ATOM 469 CA SER A 31 -3.624 6.844 2.173 1.00 0.00 C ATOM 470 C SER A 31 -3.926 5.676 3.114 1.00 0.00 C ATOM 471 O SER A 31 -4.637 5.839 4.104 1.00 0.00 O ATOM 472 CB SER A 31 -2.394 7.613 2.661 1.00 0.00 C ATOM 473 OG SER A 31 -2.556 9.022 2.523 1.00 0.00 O ATOM 0 H SER A 31 -5.324 7.803 2.937 1.00 0.00 H new ATOM 0 HA SER A 31 -3.406 6.455 1.179 1.00 0.00 H new ATOM 0 HB2 SER A 31 -2.206 7.370 3.707 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.518 7.292 2.097 1.00 0.00 H new ATOM 0 HG SER A 31 -1.751 9.477 2.847 1.00 0.00 H new ATOM 479 N LEU A 32 -3.371 4.523 2.770 1.00 0.00 N ATOM 480 CA LEU A 32 -3.573 3.327 3.571 1.00 0.00 C ATOM 481 C LEU A 32 -2.240 2.904 4.192 1.00 0.00 C ATOM 482 O LEU A 32 -1.176 3.201 3.649 1.00 0.00 O ATOM 483 CB LEU A 32 -4.239 2.231 2.739 1.00 0.00 C ATOM 484 CG LEU A 32 -4.638 0.962 3.496 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.767 1.248 4.489 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.999 -0.165 2.527 1.00 0.00 C ATOM 0 H LEU A 32 -2.782 4.391 1.948 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.258 3.531 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.132 2.648 2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.560 1.951 1.933 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.778 0.625 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.031 0.330 5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.437 1.996 5.210 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.638 1.623 3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.279 -1.055 3.091 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.836 0.146 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.140 -0.391 1.896 1.00 0.00 H new ATOM 498 N GLU A 33 -2.340 2.217 5.320 1.00 0.00 N ATOM 499 CA GLU A 33 -1.156 1.750 6.020 1.00 0.00 C ATOM 500 C GLU A 33 -1.238 0.240 6.253 1.00 0.00 C ATOM 501 O GLU A 33 -2.122 -0.235 6.964 1.00 0.00 O ATOM 502 CB GLU A 33 -0.968 2.499 7.341 1.00 0.00 C ATOM 503 CG GLU A 33 -1.225 3.996 7.163 1.00 0.00 C ATOM 504 CD GLU A 33 -1.257 4.711 8.516 1.00 0.00 C ATOM 505 OE1 GLU A 33 -1.987 4.217 9.402 1.00 0.00 O ATOM 506 OE2 GLU A 33 -0.550 5.736 8.632 1.00 0.00 O ATOM 0 H GLU A 33 -3.224 1.972 5.767 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.285 1.955 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.648 2.096 8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.045 2.342 7.712 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.446 4.430 6.536 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.172 4.147 6.645 1.00 0.00 H new ATOM 513 N LEU A 34 -0.304 -0.473 5.640 1.00 0.00 N ATOM 514 CA LEU A 34 -0.260 -1.919 5.772 1.00 0.00 C ATOM 515 C LEU A 34 0.519 -2.289 7.036 1.00 0.00 C ATOM 516 O LEU A 34 1.062 -1.416 7.712 1.00 0.00 O ATOM 517 CB LEU A 34 0.298 -2.557 4.498 1.00 0.00 C ATOM 518 CG LEU A 34 -0.689 -2.715 3.340 1.00 0.00 C ATOM 519 CD1 LEU A 34 0.044 -3.036 2.035 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.757 -3.760 3.669 1.00 0.00 C ATOM 0 H LEU A 34 0.428 -0.076 5.051 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.267 -2.321 5.888 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.139 -1.956 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.692 -3.541 4.751 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.202 -1.764 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.680 -3.143 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.735 -2.227 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.600 -3.966 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.446 -3.853 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.280 -4.722 3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.307 -3.450 4.557 1.00 0.00 H new ATOM 532 N ASP A 35 0.549 -3.583 7.317 1.00 0.00 N ATOM 533 CA ASP A 35 1.253 -4.078 8.488 1.00 0.00 C ATOM 534 C ASP A 35 2.755 -4.114 8.199 1.00 0.00 C ATOM 535 O ASP A 35 3.166 -4.169 7.041 1.00 0.00 O ATOM 536 CB ASP A 35 0.805 -5.499 8.840 1.00 0.00 C ATOM 537 CG ASP A 35 1.283 -6.585 7.874 1.00 0.00 C ATOM 538 OD1 ASP A 35 0.877 -6.514 6.694 1.00 0.00 O ATOM 539 OD2 ASP A 35 2.045 -7.461 8.337 1.00 0.00 O ATOM 0 H ASP A 35 0.097 -4.304 6.754 1.00 0.00 H new ATOM 0 HA ASP A 35 1.030 -3.412 9.322 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.164 -5.740 9.840 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.284 -5.522 8.878 1.00 0.00 H new ATOM 544 N PRO A 36 3.553 -4.080 9.299 1.00 0.00 N ATOM 545 CA PRO A 36 5.000 -4.107 9.175 1.00 0.00 C ATOM 546 C PRO A 36 5.493 -5.511 8.818 1.00 0.00 C ATOM 547 O PRO A 36 5.307 -6.453 9.587 1.00 0.00 O ATOM 548 CB PRO A 36 5.520 -3.619 10.517 1.00 0.00 C ATOM 549 CG PRO A 36 4.366 -3.779 11.494 1.00 0.00 C ATOM 550 CD PRO A 36 3.101 -4.014 10.686 1.00 0.00 C ATOM 0 HA PRO A 36 5.365 -3.472 8.367 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.385 -4.201 10.836 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.840 -2.579 10.457 1.00 0.00 H new ATOM 0 HG2 PRO A 36 4.550 -4.616 12.168 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.264 -2.888 12.113 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.606 -4.938 10.985 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.383 -3.206 10.830 1.00 0.00 H new ATOM 558 N CYS A 37 6.112 -5.607 7.650 1.00 0.00 N ATOM 559 CA CYS A 37 6.634 -6.880 7.182 1.00 0.00 C ATOM 560 C CYS A 37 8.012 -7.095 7.810 1.00 0.00 C ATOM 561 O CYS A 37 8.576 -6.179 8.407 1.00 0.00 O ATOM 562 CB CYS A 37 6.687 -6.942 5.654 1.00 0.00 C ATOM 563 SG CYS A 37 4.998 -7.139 4.977 1.00 0.00 S ATOM 0 H CYS A 37 6.264 -4.824 7.014 1.00 0.00 H new ATOM 0 HA CYS A 37 5.966 -7.685 7.490 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.142 -6.033 5.260 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.314 -7.775 5.337 1.00 0.00 H new ATOM 0 HG CYS A 37 4.476 -5.967 4.765 1.00 0.00 H new ATOM 569 N THR A 38 8.515 -8.311 7.653 1.00 0.00 N ATOM 570 CA THR A 38 9.817 -8.658 8.198 1.00 0.00 C ATOM 571 C THR A 38 10.909 -8.439 7.149 1.00 0.00 C ATOM 572 O THR A 38 12.035 -8.076 7.486 1.00 0.00 O ATOM 573 CB THR A 38 9.746 -10.097 8.710 1.00 0.00 C ATOM 574 OG1 THR A 38 11.111 -10.478 8.866 1.00 0.00 O ATOM 575 CG2 THR A 38 9.206 -11.068 7.658 1.00 0.00 C ATOM 0 H THR A 38 8.045 -9.068 7.156 1.00 0.00 H new ATOM 0 HA THR A 38 10.081 -8.012 9.036 1.00 0.00 H new ATOM 0 HB THR A 38 9.114 -10.135 9.597 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.158 -11.399 9.197 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.176 -12.075 8.074 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.200 -10.766 7.367 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.856 -11.055 6.783 1.00 0.00 H new ATOM 583 N GLY A 39 10.538 -8.670 5.898 1.00 0.00 N ATOM 584 CA GLY A 39 11.472 -8.503 4.797 1.00 0.00 C ATOM 585 C GLY A 39 10.953 -9.184 3.529 1.00 0.00 C ATOM 586 O GLY A 39 10.678 -8.520 2.531 1.00 0.00 O ATOM 0 H GLY A 39 9.603 -8.971 5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.628 -7.441 4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.440 -8.924 5.070 1.00 0.00 H new ATOM 590 N PHE A 40 10.835 -10.501 3.610 1.00 0.00 N ATOM 591 CA PHE A 40 10.354 -11.280 2.481 1.00 0.00 C ATOM 592 C PHE A 40 9.002 -10.757 1.991 1.00 0.00 C ATOM 593 O PHE A 40 8.886 -10.292 0.859 1.00 0.00 O ATOM 594 CB PHE A 40 10.184 -12.719 2.971 1.00 0.00 C ATOM 595 CG PHE A 40 10.310 -13.771 1.867 1.00 0.00 C ATOM 596 CD1 PHE A 40 9.667 -13.594 0.682 1.00 0.00 C ATOM 597 CD2 PHE A 40 11.065 -14.884 2.071 1.00 0.00 C ATOM 598 CE1 PHE A 40 9.785 -14.570 -0.343 1.00 0.00 C ATOM 599 CE2 PHE A 40 11.183 -15.860 1.047 1.00 0.00 C ATOM 600 CZ PHE A 40 10.540 -15.682 -0.139 1.00 0.00 C ATOM 0 H PHE A 40 11.064 -11.049 4.440 1.00 0.00 H new ATOM 0 HA PHE A 40 11.061 -11.213 1.654 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.931 -12.921 3.739 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.207 -12.818 3.443 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.066 -12.711 0.520 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.575 -15.025 3.013 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.275 -14.429 -1.284 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.783 -16.743 1.209 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.629 -16.424 -0.918 1.00 0.00 H new ATOM 610 N GLN A 41 8.014 -10.852 2.869 1.00 0.00 N ATOM 611 CA GLN A 41 6.674 -10.395 2.540 1.00 0.00 C ATOM 612 C GLN A 41 6.732 -9.021 1.870 1.00 0.00 C ATOM 613 O GLN A 41 6.169 -8.826 0.793 1.00 0.00 O ATOM 614 CB GLN A 41 5.785 -10.361 3.784 1.00 0.00 C ATOM 615 CG GLN A 41 4.915 -11.617 3.871 1.00 0.00 C ATOM 616 CD GLN A 41 4.513 -11.907 5.318 1.00 0.00 C ATOM 617 OE1 GLN A 41 4.580 -11.056 6.191 1.00 0.00 O ATOM 618 NE2 GLN A 41 4.092 -13.151 5.524 1.00 0.00 N ATOM 0 H GLN A 41 8.114 -11.239 3.808 1.00 0.00 H new ATOM 0 HA GLN A 41 6.232 -11.102 1.838 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.405 -10.282 4.677 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.150 -9.476 3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.021 -11.487 3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.459 -12.469 3.463 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.061 -13.814 4.749 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.800 -13.443 6.457 1.00 0.00 H new ATOM 627 N ARG A 42 7.418 -8.102 2.535 1.00 0.00 N ATOM 628 CA ARG A 42 7.557 -6.752 2.017 1.00 0.00 C ATOM 629 C ARG A 42 7.825 -6.785 0.511 1.00 0.00 C ATOM 630 O ARG A 42 7.121 -6.140 -0.263 1.00 0.00 O ATOM 631 CB ARG A 42 8.697 -6.009 2.715 1.00 0.00 C ATOM 632 CG ARG A 42 8.948 -4.648 2.061 1.00 0.00 C ATOM 633 CD ARG A 42 9.872 -3.787 2.924 1.00 0.00 C ATOM 634 NE ARG A 42 11.279 -4.201 2.728 1.00 0.00 N ATOM 635 CZ ARG A 42 12.068 -3.741 1.747 1.00 0.00 C ATOM 636 NH1 ARG A 42 11.593 -2.849 0.868 1.00 0.00 N ATOM 637 NH2 ARG A 42 13.332 -4.174 1.646 1.00 0.00 N ATOM 0 H ARG A 42 7.883 -8.266 3.428 1.00 0.00 H new ATOM 0 HA ARG A 42 6.623 -6.225 2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.454 -5.871 3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.606 -6.609 2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.393 -4.790 1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.000 -4.132 1.911 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.754 -2.736 2.661 1.00 0.00 H new ATOM 0 HD3 ARG A 42 9.598 -3.886 3.974 1.00 0.00 H new ATOM 0 HE ARG A 42 11.673 -4.879 3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.631 -2.520 0.945 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.194 -2.499 0.122 1.00 0.00 H new ATOM 0 HH21 ARG A 42 13.693 -4.853 2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 42 13.933 -3.824 0.900 1.00 0.00 H new ATOM 651 N LYS A 43 8.846 -7.544 0.141 1.00 0.00 N ATOM 652 CA LYS A 43 9.217 -7.671 -1.258 1.00 0.00 C ATOM 653 C LYS A 43 8.006 -8.152 -2.060 1.00 0.00 C ATOM 654 O LYS A 43 7.787 -7.708 -3.186 1.00 0.00 O ATOM 655 CB LYS A 43 10.448 -8.565 -1.408 1.00 0.00 C ATOM 656 CG LYS A 43 11.662 -7.950 -0.707 1.00 0.00 C ATOM 657 CD LYS A 43 12.391 -8.993 0.143 1.00 0.00 C ATOM 658 CE LYS A 43 13.524 -8.350 0.946 1.00 0.00 C ATOM 659 NZ LYS A 43 14.838 -8.822 0.456 1.00 0.00 N ATOM 0 H LYS A 43 9.428 -8.078 0.786 1.00 0.00 H new ATOM 0 HA LYS A 43 9.505 -6.702 -1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.241 -9.549 -0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.669 -8.711 -2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.346 -7.539 -1.450 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.341 -7.121 -0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.685 -9.472 0.822 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.795 -9.775 -0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.466 -7.265 0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.414 -8.595 2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.596 -8.376 1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.896 -9.855 0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.947 -8.566 -0.546 1.00 0.00 H new ATOM 673 N LEU A 44 7.251 -9.053 -1.449 1.00 0.00 N ATOM 674 CA LEU A 44 6.068 -9.599 -2.092 1.00 0.00 C ATOM 675 C LEU A 44 5.084 -8.466 -2.386 1.00 0.00 C ATOM 676 O LEU A 44 4.736 -8.225 -3.541 1.00 0.00 O ATOM 677 CB LEU A 44 5.473 -10.728 -1.248 1.00 0.00 C ATOM 678 CG LEU A 44 6.457 -11.792 -0.760 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.758 -12.818 0.134 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.176 -12.454 -1.938 1.00 0.00 C ATOM 0 H LEU A 44 7.436 -9.419 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 44 6.328 -10.051 -3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.986 -10.287 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.696 -11.221 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 44 7.217 -11.301 -0.152 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.481 -13.563 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.331 -12.314 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.964 -13.309 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.870 -13.207 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.444 -12.928 -2.591 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.727 -11.699 -2.499 1.00 0.00 H new ATOM 692 N ILE A 45 4.662 -7.800 -1.321 1.00 0.00 N ATOM 693 CA ILE A 45 3.724 -6.698 -1.450 1.00 0.00 C ATOM 694 C ILE A 45 4.131 -5.824 -2.639 1.00 0.00 C ATOM 695 O ILE A 45 3.351 -5.637 -3.571 1.00 0.00 O ATOM 696 CB ILE A 45 3.615 -5.929 -0.131 1.00 0.00 C ATOM 697 CG1 ILE A 45 2.953 -6.786 0.949 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.889 -4.597 -0.331 1.00 0.00 C ATOM 699 CD1 ILE A 45 3.141 -6.164 2.334 1.00 0.00 C ATOM 0 H ILE A 45 4.953 -8.003 -0.365 1.00 0.00 H new ATOM 0 HA ILE A 45 2.722 -7.073 -1.657 1.00 0.00 H new ATOM 0 HB ILE A 45 4.623 -5.697 0.214 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.889 -6.890 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.381 -7.789 0.936 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.825 -4.071 0.621 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.440 -3.986 -1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.884 -4.784 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.661 -6.793 3.084 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.205 -6.084 2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.691 -5.171 2.351 1.00 0.00 H new ATOM 711 N TYR A 46 5.351 -5.314 -2.567 1.00 0.00 N ATOM 712 CA TYR A 46 5.871 -4.465 -3.625 1.00 0.00 C ATOM 713 C TYR A 46 5.823 -5.181 -4.976 1.00 0.00 C ATOM 714 O TYR A 46 5.492 -4.574 -5.993 1.00 0.00 O ATOM 715 CB TYR A 46 7.331 -4.184 -3.262 1.00 0.00 C ATOM 716 CG TYR A 46 7.517 -3.015 -2.292 1.00 0.00 C ATOM 717 CD1 TYR A 46 7.232 -1.728 -2.700 1.00 0.00 C ATOM 718 CD2 TYR A 46 7.969 -3.249 -1.009 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.407 -0.628 -1.787 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.144 -2.149 -0.096 1.00 0.00 C ATOM 721 CZ TYR A 46 7.855 -0.893 -0.530 1.00 0.00 C ATOM 722 OH TYR A 46 8.020 0.146 0.332 1.00 0.00 O ATOM 0 H TYR A 46 5.995 -5.472 -1.792 1.00 0.00 H new ATOM 0 HA TYR A 46 5.279 -3.554 -3.711 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.764 -5.082 -2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.889 -3.977 -4.175 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.878 -1.546 -3.704 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.191 -4.257 -0.690 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.188 0.384 -2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.497 -2.318 0.911 1.00 0.00 H new ATOM 0 HH TYR A 46 7.378 0.854 0.117 1.00 0.00 H new ATOM 732 N GLN A 47 6.158 -6.463 -4.943 1.00 0.00 N ATOM 733 CA GLN A 47 6.157 -7.268 -6.152 1.00 0.00 C ATOM 734 C GLN A 47 4.755 -7.306 -6.764 1.00 0.00 C ATOM 735 O GLN A 47 4.578 -6.986 -7.938 1.00 0.00 O ATOM 736 CB GLN A 47 6.670 -8.682 -5.869 1.00 0.00 C ATOM 737 CG GLN A 47 8.008 -8.930 -6.568 1.00 0.00 C ATOM 738 CD GLN A 47 8.055 -10.332 -7.180 1.00 0.00 C ATOM 739 OE1 GLN A 47 7.261 -10.692 -8.033 1.00 0.00 O ATOM 740 NE2 GLN A 47 9.028 -11.100 -6.697 1.00 0.00 N ATOM 0 H GLN A 47 6.432 -6.964 -4.098 1.00 0.00 H new ATOM 0 HA GLN A 47 6.834 -6.808 -6.872 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.786 -8.822 -4.794 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.937 -9.413 -6.209 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.159 -8.184 -7.348 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.823 -8.814 -5.853 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.659 -10.735 -5.983 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.143 -12.053 -7.041 1.00 0.00 H new ATOM 749 N THR A 48 3.795 -7.699 -5.940 1.00 0.00 N ATOM 750 CA THR A 48 2.414 -7.782 -6.385 1.00 0.00 C ATOM 751 C THR A 48 1.931 -6.418 -6.881 1.00 0.00 C ATOM 752 O THR A 48 1.530 -6.279 -8.035 1.00 0.00 O ATOM 753 CB THR A 48 1.578 -8.341 -5.232 1.00 0.00 C ATOM 754 OG1 THR A 48 1.861 -9.738 -5.244 1.00 0.00 O ATOM 755 CG2 THR A 48 0.075 -8.262 -5.507 1.00 0.00 C ATOM 0 H THR A 48 3.946 -7.964 -4.967 1.00 0.00 H new ATOM 0 HA THR A 48 2.312 -8.456 -7.235 1.00 0.00 H new ATOM 0 HB THR A 48 1.809 -7.794 -4.318 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.300 -9.990 -4.405 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.472 -8.671 -4.658 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.213 -7.222 -5.657 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.162 -8.837 -6.402 1.00 0.00 H new ATOM 763 N LEU A 49 1.985 -5.445 -5.983 1.00 0.00 N ATOM 764 CA LEU A 49 1.557 -4.096 -6.314 1.00 0.00 C ATOM 765 C LEU A 49 2.298 -3.624 -7.566 1.00 0.00 C ATOM 766 O LEU A 49 1.855 -2.696 -8.241 1.00 0.00 O ATOM 767 CB LEU A 49 1.731 -3.168 -5.110 1.00 0.00 C ATOM 768 CG LEU A 49 1.029 -3.603 -3.822 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.322 -2.625 -2.681 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.473 -3.784 -4.049 1.00 0.00 C ATOM 0 H LEU A 49 2.319 -5.564 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 49 0.492 -4.080 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.797 -3.069 -4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.365 -2.178 -5.383 1.00 0.00 H new ATOM 0 HG LEU A 49 1.429 -4.573 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.811 -2.957 -1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.396 -2.590 -2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.967 -1.631 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.947 -4.093 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.907 -2.841 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.637 -4.547 -4.810 1.00 0.00 H new ATOM 782 N SER A 50 3.414 -4.284 -7.839 1.00 0.00 N ATOM 783 CA SER A 50 4.221 -3.943 -8.998 1.00 0.00 C ATOM 784 C SER A 50 3.383 -4.062 -10.273 1.00 0.00 C ATOM 785 O SER A 50 3.501 -3.237 -11.177 1.00 0.00 O ATOM 786 CB SER A 50 5.458 -4.839 -9.091 1.00 0.00 C ATOM 787 OG SER A 50 6.547 -4.181 -9.733 1.00 0.00 O ATOM 0 H SER A 50 3.778 -5.053 -7.277 1.00 0.00 H new ATOM 0 HA SER A 50 4.559 -2.913 -8.888 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.759 -5.146 -8.089 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.208 -5.746 -9.641 1.00 0.00 H new ATOM 0 HG SER A 50 7.318 -4.785 -9.771 1.00 0.00 H new ATOM 793 N TRP A 51 2.554 -5.096 -10.303 1.00 0.00 N ATOM 794 CA TRP A 51 1.696 -5.333 -11.452 1.00 0.00 C ATOM 795 C TRP A 51 0.249 -5.093 -11.019 1.00 0.00 C ATOM 796 O TRP A 51 -0.574 -4.643 -11.814 1.00 0.00 O ATOM 797 CB TRP A 51 1.924 -6.733 -12.026 1.00 0.00 C ATOM 798 CG TRP A 51 1.984 -7.837 -10.968 1.00 0.00 C ATOM 799 CD1 TRP A 51 3.066 -8.327 -10.347 1.00 0.00 C ATOM 800 CD2 TRP A 51 0.866 -8.574 -10.430 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.728 -9.321 -9.452 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.348 -9.476 -9.504 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.508 -8.481 -10.716 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.525 -10.354 -8.788 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.317 -9.366 -9.993 1.00 0.00 C ATOM 806 CH2 TRP A 51 -0.847 -10.280 -9.057 1.00 0.00 C ATOM 0 H TRP A 51 2.458 -5.778 -9.551 1.00 0.00 H new ATOM 0 HA TRP A 51 1.936 -4.644 -12.262 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.123 -6.961 -12.729 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.856 -6.735 -12.592 1.00 0.00 H new ATOM 0 HD1 TRP A 51 4.075 -7.987 -10.525 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.373 -9.846 -8.861 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.907 -7.782 -11.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.927 -11.051 -8.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.381 -9.336 -10.175 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.537 -10.930 -8.540 1.00 0.00 H new ATOM 817 N LYS A 52 -0.018 -5.404 -9.759 1.00 0.00 N ATOM 818 CA LYS A 52 -1.351 -5.227 -9.210 1.00 0.00 C ATOM 819 C LYS A 52 -1.745 -3.751 -9.302 1.00 0.00 C ATOM 820 O LYS A 52 -2.921 -3.427 -9.455 1.00 0.00 O ATOM 821 CB LYS A 52 -1.427 -5.797 -7.792 1.00 0.00 C ATOM 822 CG LYS A 52 -1.853 -7.266 -7.813 1.00 0.00 C ATOM 823 CD LYS A 52 -2.838 -7.568 -6.683 1.00 0.00 C ATOM 824 CE LYS A 52 -4.284 -7.470 -7.174 1.00 0.00 C ATOM 825 NZ LYS A 52 -4.922 -8.805 -7.179 1.00 0.00 N ATOM 0 H LYS A 52 0.667 -5.778 -9.102 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.080 -5.789 -9.794 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.456 -5.703 -7.306 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.136 -5.218 -7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.312 -7.501 -8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.975 -7.904 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.651 -8.567 -6.290 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.681 -6.868 -5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.847 -6.794 -6.531 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.305 -7.047 -8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.934 -8.707 -6.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.812 -9.239 -8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.469 -9.409 -6.464 1.00 0.00 H new ATOM 839 N TYR A 53 -0.737 -2.896 -9.205 1.00 0.00 N ATOM 840 CA TYR A 53 -0.963 -1.463 -9.275 1.00 0.00 C ATOM 841 C TYR A 53 0.315 -0.726 -9.681 1.00 0.00 C ATOM 842 O TYR A 53 1.033 -0.206 -8.829 1.00 0.00 O ATOM 843 CB TYR A 53 -1.361 -1.029 -7.863 1.00 0.00 C ATOM 844 CG TYR A 53 -2.549 -1.800 -7.286 1.00 0.00 C ATOM 845 CD1 TYR A 53 -3.835 -1.346 -7.499 1.00 0.00 C ATOM 846 CD2 TYR A 53 -2.336 -2.950 -6.553 1.00 0.00 C ATOM 847 CE1 TYR A 53 -4.954 -2.073 -6.956 1.00 0.00 C ATOM 848 CE2 TYR A 53 -3.455 -3.676 -6.010 1.00 0.00 C ATOM 849 CZ TYR A 53 -4.709 -3.202 -6.239 1.00 0.00 C ATOM 850 OH TYR A 53 -5.765 -3.887 -5.726 1.00 0.00 O ATOM 0 H TYR A 53 0.238 -3.169 -9.079 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.729 -1.231 -10.015 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.504 -1.154 -7.201 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.602 0.034 -7.875 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.002 -0.446 -8.072 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.330 -3.306 -6.387 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.965 -1.729 -7.115 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.302 -4.577 -5.434 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.546 -3.765 -6.305 1.00 0.00 H new ATOM 860 N PRO A 54 0.565 -0.704 -11.018 1.00 0.00 N ATOM 861 CA PRO A 54 1.744 -0.040 -11.548 1.00 0.00 C ATOM 862 C PRO A 54 1.575 1.481 -11.520 1.00 0.00 C ATOM 863 O PRO A 54 2.477 2.201 -11.094 1.00 0.00 O ATOM 864 CB PRO A 54 1.909 -0.593 -12.954 1.00 0.00 C ATOM 865 CG PRO A 54 0.562 -1.191 -13.327 1.00 0.00 C ATOM 866 CD PRO A 54 -0.263 -1.309 -12.056 1.00 0.00 C ATOM 0 HA PRO A 54 2.637 -0.230 -10.953 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.194 0.194 -13.652 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.694 -1.348 -12.987 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.053 -0.560 -14.056 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.693 -2.169 -13.789 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.217 -0.790 -12.154 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.488 -2.350 -11.826 1.00 0.00 H new ATOM 874 N LYS A 55 0.414 1.924 -11.979 1.00 0.00 N ATOM 875 CA LYS A 55 0.115 3.346 -12.012 1.00 0.00 C ATOM 876 C LYS A 55 -1.264 3.587 -11.394 1.00 0.00 C ATOM 877 O LYS A 55 -2.272 3.107 -11.911 1.00 0.00 O ATOM 878 CB LYS A 55 0.256 3.890 -13.434 1.00 0.00 C ATOM 879 CG LYS A 55 -0.559 3.055 -14.424 1.00 0.00 C ATOM 880 CD LYS A 55 -1.443 3.949 -15.297 1.00 0.00 C ATOM 881 CE LYS A 55 -1.239 3.639 -16.781 1.00 0.00 C ATOM 882 NZ LYS A 55 -2.352 2.811 -17.296 1.00 0.00 N ATOM 0 H LYS A 55 -0.331 1.323 -12.331 1.00 0.00 H new ATOM 0 HA LYS A 55 0.835 3.901 -11.411 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.079 4.927 -13.465 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.306 3.885 -13.727 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.113 2.474 -15.055 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.180 2.343 -13.880 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.490 3.802 -15.032 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.210 4.996 -15.105 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.177 4.568 -17.347 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.293 3.116 -16.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.197 2.610 -18.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.393 1.917 -16.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.249 3.324 -17.179 1.00 0.00 H new ATOM 896 N GLY A 56 -1.264 4.331 -10.298 1.00 0.00 N ATOM 897 CA GLY A 56 -2.503 4.642 -9.605 1.00 0.00 C ATOM 898 C GLY A 56 -2.245 4.939 -8.127 1.00 0.00 C ATOM 899 O GLY A 56 -2.865 5.832 -7.552 1.00 0.00 O ATOM 0 H GLY A 56 -0.426 4.728 -9.873 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.980 5.502 -10.074 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.195 3.805 -9.696 1.00 0.00 H new ATOM 903 N ILE A 57 -1.328 4.173 -7.554 1.00 0.00 N ATOM 904 CA ILE A 57 -0.980 4.343 -6.153 1.00 0.00 C ATOM 905 C ILE A 57 0.540 4.458 -6.021 1.00 0.00 C ATOM 906 O ILE A 57 1.272 4.193 -6.973 1.00 0.00 O ATOM 907 CB ILE A 57 -1.588 3.221 -5.310 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.296 1.852 -5.927 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.086 3.446 -5.097 1.00 0.00 C ATOM 910 CD1 ILE A 57 0.197 1.688 -6.217 1.00 0.00 C ATOM 0 H ILE A 57 -0.815 3.433 -8.034 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.405 5.268 -5.764 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.117 3.238 -4.327 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.627 1.066 -5.249 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.864 1.737 -6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.494 2.634 -4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.242 4.394 -4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.591 3.470 -6.063 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.377 0.706 -6.655 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.519 2.461 -6.914 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.760 1.780 -5.288 1.00 0.00 H new ATOM 922 N HIS A 58 0.970 4.853 -4.831 1.00 0.00 N ATOM 923 CA HIS A 58 2.390 5.006 -4.561 1.00 0.00 C ATOM 924 C HIS A 58 2.728 4.362 -3.216 1.00 0.00 C ATOM 925 O HIS A 58 2.346 4.873 -2.164 1.00 0.00 O ATOM 926 CB HIS A 58 2.801 6.478 -4.634 1.00 0.00 C ATOM 927 CG HIS A 58 4.189 6.754 -4.107 1.00 0.00 C ATOM 928 ND1 HIS A 58 5.133 7.470 -4.821 1.00 0.00 N ATOM 929 CD2 HIS A 58 4.781 6.405 -2.929 1.00 0.00 C ATOM 930 CE1 HIS A 58 6.240 7.541 -4.097 1.00 0.00 C ATOM 931 NE2 HIS A 58 6.020 6.880 -2.924 1.00 0.00 N ATOM 0 H HIS A 58 0.360 5.072 -4.043 1.00 0.00 H new ATOM 0 HA HIS A 58 2.968 4.489 -5.327 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.744 6.810 -5.671 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.084 7.074 -4.069 1.00 0.00 H new ATOM 0 HD1 HIS A 58 4.999 7.875 -5.748 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.319 5.838 -2.134 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.156 8.035 -4.385 1.00 0.00 H new ATOM 939 N VAL A 59 3.443 3.248 -3.292 1.00 0.00 N ATOM 940 CA VAL A 59 3.838 2.529 -2.093 1.00 0.00 C ATOM 941 C VAL A 59 5.089 3.180 -1.502 1.00 0.00 C ATOM 942 O VAL A 59 6.098 3.331 -2.189 1.00 0.00 O ATOM 943 CB VAL A 59 4.030 1.045 -2.414 1.00 0.00 C ATOM 944 CG1 VAL A 59 4.401 0.256 -1.156 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.782 0.461 -3.078 1.00 0.00 C ATOM 0 H VAL A 59 3.759 2.826 -4.166 1.00 0.00 H new ATOM 0 HA VAL A 59 3.055 2.586 -1.337 1.00 0.00 H new ATOM 0 HB VAL A 59 4.856 0.959 -3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.532 -0.796 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.330 0.647 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.605 0.354 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.946 -0.595 -3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.930 0.565 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.580 0.995 -4.006 1.00 0.00 H new ATOM 955 N GLU A 60 4.983 3.548 -0.233 1.00 0.00 N ATOM 956 CA GLU A 60 6.093 4.179 0.459 1.00 0.00 C ATOM 957 C GLU A 60 6.258 3.579 1.856 1.00 0.00 C ATOM 958 O GLU A 60 5.277 3.197 2.492 1.00 0.00 O ATOM 959 CB GLU A 60 5.903 5.696 0.532 1.00 0.00 C ATOM 960 CG GLU A 60 4.508 6.048 1.054 1.00 0.00 C ATOM 961 CD GLU A 60 3.703 6.807 -0.003 1.00 0.00 C ATOM 962 OE1 GLU A 60 4.283 7.744 -0.594 1.00 0.00 O ATOM 963 OE2 GLU A 60 2.526 6.433 -0.197 1.00 0.00 O ATOM 0 H GLU A 60 4.144 3.421 0.334 1.00 0.00 H new ATOM 0 HA GLU A 60 7.005 3.987 -0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.660 6.130 1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.046 6.132 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.980 5.137 1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.595 6.655 1.955 1.00 0.00 H new ATOM 970 N THR A 61 7.507 3.514 2.294 1.00 0.00 N ATOM 971 CA THR A 61 7.814 2.967 3.604 1.00 0.00 C ATOM 972 C THR A 61 8.076 4.094 4.605 1.00 0.00 C ATOM 973 O THR A 61 9.138 4.714 4.582 1.00 0.00 O ATOM 974 CB THR A 61 8.992 2.003 3.451 1.00 0.00 C ATOM 975 OG1 THR A 61 8.430 0.868 2.799 1.00 0.00 O ATOM 976 CG2 THR A 61 9.482 1.458 4.794 1.00 0.00 C ATOM 0 H THR A 61 8.319 3.832 1.764 1.00 0.00 H new ATOM 0 HA THR A 61 6.969 2.408 4.006 1.00 0.00 H new ATOM 0 HB THR A 61 9.813 2.511 2.945 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.363 1.043 1.837 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.319 0.779 4.628 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.806 2.285 5.426 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.671 0.921 5.286 1.00 0.00 H new ATOM 984 N LEU A 62 7.091 4.325 5.460 1.00 0.00 N ATOM 985 CA LEU A 62 7.202 5.366 6.467 1.00 0.00 C ATOM 986 C LEU A 62 7.840 4.783 7.729 1.00 0.00 C ATOM 987 O LEU A 62 7.725 3.587 7.992 1.00 0.00 O ATOM 988 CB LEU A 62 5.842 6.022 6.712 1.00 0.00 C ATOM 989 CG LEU A 62 5.124 6.561 5.473 1.00 0.00 C ATOM 990 CD1 LEU A 62 3.725 7.068 5.828 1.00 0.00 C ATOM 991 CD2 LEU A 62 5.963 7.635 4.777 1.00 0.00 C ATOM 0 H LEU A 62 6.212 3.809 5.476 1.00 0.00 H new ATOM 0 HA LEU A 62 7.857 6.165 6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.192 5.294 7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.979 6.844 7.415 1.00 0.00 H new ATOM 0 HG LEU A 62 5.000 5.741 4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.236 7.446 4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.137 6.251 6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.804 7.870 6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.430 8.001 3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.140 8.461 5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.918 7.208 4.469 1.00 0.00 H new ATOM 1003 N GLU A 63 8.500 5.655 8.477 1.00 0.00 N ATOM 1004 CA GLU A 63 9.157 5.242 9.706 1.00 0.00 C ATOM 1005 C GLU A 63 8.230 5.461 10.903 1.00 0.00 C ATOM 1006 O GLU A 63 7.447 6.410 10.921 1.00 0.00 O ATOM 1007 CB GLU A 63 10.482 5.983 9.895 1.00 0.00 C ATOM 1008 CG GLU A 63 11.238 5.451 11.114 1.00 0.00 C ATOM 1009 CD GLU A 63 12.062 6.558 11.775 1.00 0.00 C ATOM 1010 OE1 GLU A 63 13.004 7.038 11.109 1.00 0.00 O ATOM 1011 OE2 GLU A 63 11.731 6.900 12.931 1.00 0.00 O ATOM 0 H GLU A 63 8.594 6.646 8.256 1.00 0.00 H new ATOM 0 HA GLU A 63 9.381 4.178 9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.097 5.869 9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.292 7.049 10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.530 5.040 11.834 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.895 4.635 10.811 1.00 0.00 H new ATOM 1018 N THR A 64 8.348 4.567 11.874 1.00 0.00 N ATOM 1019 CA THR A 64 7.530 4.651 13.072 1.00 0.00 C ATOM 1020 C THR A 64 8.411 4.862 14.305 1.00 0.00 C ATOM 1021 O THR A 64 9.563 5.276 14.186 1.00 0.00 O ATOM 1022 CB THR A 64 6.672 3.387 13.147 1.00 0.00 C ATOM 1023 OG1 THR A 64 7.188 2.554 12.113 1.00 0.00 O ATOM 1024 CG2 THR A 64 5.220 3.639 12.734 1.00 0.00 C ATOM 0 H THR A 64 8.998 3.781 11.855 1.00 0.00 H new ATOM 0 HA THR A 64 6.863 5.512 13.037 1.00 0.00 H new ATOM 0 HB THR A 64 6.697 2.992 14.163 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.448 2.101 11.658 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.655 2.710 12.805 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.778 4.384 13.395 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.192 4.003 11.707 1.00 0.00 H new ATOM 1032 N ASP A 65 7.835 4.567 15.461 1.00 0.00 N ATOM 1033 CA ASP A 65 8.553 4.719 16.715 1.00 0.00 C ATOM 1034 C ASP A 65 9.279 3.413 17.044 1.00 0.00 C ATOM 1035 O ASP A 65 10.507 3.377 17.095 1.00 0.00 O ATOM 1036 CB ASP A 65 7.593 5.030 17.866 1.00 0.00 C ATOM 1037 CG ASP A 65 8.256 5.578 19.131 1.00 0.00 C ATOM 1038 OD1 ASP A 65 9.284 4.991 19.533 1.00 0.00 O ATOM 1039 OD2 ASP A 65 7.720 6.572 19.667 1.00 0.00 O ATOM 0 H ASP A 65 6.879 4.223 15.556 1.00 0.00 H new ATOM 0 HA ASP A 65 9.258 5.542 16.602 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.855 5.753 17.518 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.051 4.120 18.123 1.00 0.00 H new ATOM 1044 N LYS A 66 8.488 2.372 17.259 1.00 0.00 N ATOM 1045 CA LYS A 66 9.040 1.067 17.582 1.00 0.00 C ATOM 1046 C LYS A 66 9.158 0.238 16.302 1.00 0.00 C ATOM 1047 O LYS A 66 10.129 -0.496 16.121 1.00 0.00 O ATOM 1048 CB LYS A 66 8.213 0.392 18.678 1.00 0.00 C ATOM 1049 CG LYS A 66 6.833 -0.013 18.153 1.00 0.00 C ATOM 1050 CD LYS A 66 6.017 -0.714 19.241 1.00 0.00 C ATOM 1051 CE LYS A 66 5.937 -2.219 18.982 1.00 0.00 C ATOM 1052 NZ LYS A 66 5.028 -2.865 19.956 1.00 0.00 N ATOM 0 H LYS A 66 7.469 2.406 17.216 1.00 0.00 H new ATOM 0 HA LYS A 66 10.045 1.169 17.991 1.00 0.00 H new ATOM 0 HB2 LYS A 66 8.739 -0.489 19.045 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.100 1.071 19.523 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.298 0.871 17.805 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.946 -0.675 17.295 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.471 -0.533 20.215 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.012 -0.293 19.275 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.582 -2.401 17.968 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.931 -2.660 19.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.985 -3.887 19.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.384 -2.707 20.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.076 -2.456 19.867 1.00 0.00 H new ATOM 1066 N LYS A 67 8.157 0.382 15.446 1.00 0.00 N ATOM 1067 CA LYS A 67 8.137 -0.345 14.188 1.00 0.00 C ATOM 1068 C LYS A 67 9.450 -0.101 13.442 1.00 0.00 C ATOM 1069 O LYS A 67 10.081 -1.043 12.964 1.00 0.00 O ATOM 1070 CB LYS A 67 6.892 0.021 13.378 1.00 0.00 C ATOM 1071 CG LYS A 67 5.744 -0.949 13.667 1.00 0.00 C ATOM 1072 CD LYS A 67 4.425 -0.197 13.853 1.00 0.00 C ATOM 1073 CE LYS A 67 3.266 -1.171 14.075 1.00 0.00 C ATOM 1074 NZ LYS A 67 2.115 -0.811 13.217 1.00 0.00 N ATOM 0 H LYS A 67 7.354 0.992 15.599 1.00 0.00 H new ATOM 0 HA LYS A 67 8.068 -1.418 14.369 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.583 1.038 13.619 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.128 0.004 12.314 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.649 -1.660 12.846 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.968 -1.526 14.564 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.505 0.479 14.704 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.225 0.417 12.975 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.590 -2.188 13.852 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.965 -1.155 15.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.337 -1.482 13.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.796 0.151 13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.401 -0.849 12.218 1.00 0.00 H new ATOM 1088 N GLU A 68 9.823 1.168 13.366 1.00 0.00 N ATOM 1089 CA GLU A 68 11.050 1.548 12.686 1.00 0.00 C ATOM 1090 C GLU A 68 10.797 1.709 11.186 1.00 0.00 C ATOM 1091 O GLU A 68 11.596 2.324 10.481 1.00 0.00 O ATOM 1092 CB GLU A 68 12.160 0.529 12.949 1.00 0.00 C ATOM 1093 CG GLU A 68 13.539 1.189 12.876 1.00 0.00 C ATOM 1094 CD GLU A 68 14.651 0.159 13.084 1.00 0.00 C ATOM 1095 OE1 GLU A 68 14.979 -0.091 14.264 1.00 0.00 O ATOM 1096 OE2 GLU A 68 15.148 -0.354 12.058 1.00 0.00 O ATOM 0 H GLU A 68 9.297 1.946 13.764 1.00 0.00 H new ATOM 0 HA GLU A 68 11.381 2.507 13.084 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.020 0.079 13.932 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.099 -0.277 12.218 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.664 1.673 11.908 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.614 1.968 13.634 1.00 0.00 H new ATOM 1103 N ARG A 69 9.683 1.146 10.742 1.00 0.00 N ATOM 1104 CA ARG A 69 9.315 1.220 9.338 1.00 0.00 C ATOM 1105 C ARG A 69 8.008 0.463 9.091 1.00 0.00 C ATOM 1106 O ARG A 69 7.660 -0.444 9.846 1.00 0.00 O ATOM 1107 CB ARG A 69 10.413 0.631 8.449 1.00 0.00 C ATOM 1108 CG ARG A 69 10.357 -0.898 8.449 1.00 0.00 C ATOM 1109 CD ARG A 69 9.318 -1.408 7.449 1.00 0.00 C ATOM 1110 NE ARG A 69 9.804 -2.647 6.801 1.00 0.00 N ATOM 1111 CZ ARG A 69 10.932 -2.724 6.081 1.00 0.00 C ATOM 1112 NH1 ARG A 69 11.696 -1.637 5.912 1.00 0.00 N ATOM 1113 NH2 ARG A 69 11.295 -3.890 5.529 1.00 0.00 N ATOM 0 H ARG A 69 9.023 0.637 11.330 1.00 0.00 H new ATOM 0 HA ARG A 69 9.183 2.272 9.085 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.300 1.003 7.431 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.389 0.963 8.803 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.338 -1.301 8.197 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.112 -1.257 9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.374 -1.601 7.959 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.123 -0.646 6.695 1.00 0.00 H new ATOM 0 HE ARG A 69 9.246 -3.494 6.909 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.420 -0.749 6.331 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.554 -1.697 5.364 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.713 -4.718 5.657 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.153 -3.950 4.981 1.00 0.00 H new ATOM 1127 N HIS A 70 7.321 0.864 8.032 1.00 0.00 N ATOM 1128 CA HIS A 70 6.060 0.235 7.676 1.00 0.00 C ATOM 1129 C HIS A 70 5.655 0.660 6.264 1.00 0.00 C ATOM 1130 O HIS A 70 5.908 1.792 5.856 1.00 0.00 O ATOM 1131 CB HIS A 70 4.985 0.544 8.720 1.00 0.00 C ATOM 1132 CG HIS A 70 4.219 1.817 8.453 1.00 0.00 C ATOM 1133 ND1 HIS A 70 2.883 1.971 8.782 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.614 2.994 7.887 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.502 3.189 8.425 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.576 3.821 7.869 1.00 0.00 N ATOM 0 H HIS A 70 7.613 1.617 7.409 1.00 0.00 H new ATOM 0 HA HIS A 70 6.179 -0.849 7.671 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.283 -0.289 8.761 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.455 0.614 9.701 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.292 1.267 9.224 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.604 3.215 7.516 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.515 3.608 8.552 1.00 0.00 H new ATOM 1144 N ILE A 71 5.032 -0.271 5.556 1.00 0.00 N ATOM 1145 CA ILE A 71 4.590 -0.007 4.197 1.00 0.00 C ATOM 1146 C ILE A 71 3.343 0.880 4.235 1.00 0.00 C ATOM 1147 O ILE A 71 2.486 0.715 5.102 1.00 0.00 O ATOM 1148 CB ILE A 71 4.389 -1.318 3.434 1.00 0.00 C ATOM 1149 CG1 ILE A 71 5.730 -1.902 2.986 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.426 -1.128 2.261 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.566 -3.344 2.502 1.00 0.00 C ATOM 0 H ILE A 71 4.823 -1.209 5.898 1.00 0.00 H new ATOM 0 HA ILE A 71 5.355 0.540 3.647 1.00 0.00 H new ATOM 0 HB ILE A 71 3.933 -2.041 4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.147 -1.291 2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.439 -1.871 3.813 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.301 -2.075 1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.460 -0.790 2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.830 -0.383 1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.534 -3.735 2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.171 -3.957 3.312 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.875 -3.369 1.659 1.00 0.00 H new ATOM 1163 N VAL A 72 3.281 1.800 3.284 1.00 0.00 N ATOM 1164 CA VAL A 72 2.154 2.713 3.198 1.00 0.00 C ATOM 1165 C VAL A 72 1.749 2.879 1.732 1.00 0.00 C ATOM 1166 O VAL A 72 2.596 2.835 0.841 1.00 0.00 O ATOM 1167 CB VAL A 72 2.502 4.040 3.876 1.00 0.00 C ATOM 1168 CG1 VAL A 72 1.631 5.176 3.336 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.376 3.928 5.396 1.00 0.00 C ATOM 0 H VAL A 72 3.993 1.933 2.566 1.00 0.00 H new ATOM 0 HA VAL A 72 1.293 2.308 3.730 1.00 0.00 H new ATOM 0 HB VAL A 72 3.541 4.274 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.898 6.108 3.834 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.792 5.279 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.581 4.951 3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.629 4.884 5.854 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.352 3.660 5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.057 3.160 5.762 1.00 0.00 H new ATOM 1179 N ILE A 73 0.453 3.065 1.527 1.00 0.00 N ATOM 1180 CA ILE A 73 -0.075 3.238 0.184 1.00 0.00 C ATOM 1181 C ILE A 73 -0.745 4.609 0.077 1.00 0.00 C ATOM 1182 O ILE A 73 -1.663 4.917 0.835 1.00 0.00 O ATOM 1183 CB ILE A 73 -0.996 2.073 -0.183 1.00 0.00 C ATOM 1184 CG1 ILE A 73 -0.248 0.740 -0.117 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.647 2.298 -1.549 1.00 0.00 C ATOM 1186 CD1 ILE A 73 0.125 0.392 1.325 1.00 0.00 C ATOM 0 H ILE A 73 -0.247 3.100 2.268 1.00 0.00 H new ATOM 0 HA ILE A 73 0.732 3.219 -0.548 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.799 2.028 0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.869 -0.051 -0.537 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.654 0.794 -0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.297 1.455 -1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.236 3.215 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.873 2.385 -2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.656 -0.560 1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.766 1.173 1.734 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.781 0.315 1.927 1.00 0.00 H new ATOM 1198 N SER A 74 -0.259 5.397 -0.872 1.00 0.00 N ATOM 1199 CA SER A 74 -0.799 6.728 -1.088 1.00 0.00 C ATOM 1200 C SER A 74 -1.592 6.765 -2.397 1.00 0.00 C ATOM 1201 O SER A 74 -1.327 5.983 -3.309 1.00 0.00 O ATOM 1202 CB SER A 74 0.314 7.777 -1.113 1.00 0.00 C ATOM 1203 OG SER A 74 -0.107 8.988 -1.734 1.00 0.00 O ATOM 0 H SER A 74 0.503 5.139 -1.499 1.00 0.00 H new ATOM 0 HA SER A 74 -1.466 6.965 -0.259 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.638 7.986 -0.093 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.177 7.377 -1.646 1.00 0.00 H new ATOM 0 HG SER A 74 0.631 9.632 -1.728 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.548 7.680 -2.447 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.381 7.829 -3.628 1.00 0.00 C ATOM 1211 C LYS A 75 -2.605 8.597 -4.700 1.00 0.00 C ATOM 1212 O LYS A 75 -2.072 9.674 -4.435 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.721 8.470 -3.262 1.00 0.00 C ATOM 1214 CG LYS A 75 -5.826 7.415 -3.173 1.00 0.00 C ATOM 1215 CD LYS A 75 -7.088 7.996 -2.530 1.00 0.00 C ATOM 1216 CE LYS A 75 -8.348 7.386 -3.148 1.00 0.00 C ATOM 1217 NZ LYS A 75 -9.141 8.427 -3.840 1.00 0.00 N ATOM 0 H LYS A 75 -2.765 8.326 -1.688 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.625 6.853 -4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.631 8.990 -2.308 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.987 9.218 -4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.060 7.043 -4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.475 6.564 -2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.075 7.804 -1.457 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.102 9.078 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.072 6.602 -3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.951 6.917 -2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.993 7.997 -4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.420 9.161 -3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.568 8.856 -4.595 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.566 8.013 -5.889 1.00 0.00 N ATOM 1232 CA VAL A 76 -1.864 8.629 -7.002 1.00 0.00 C ATOM 1233 C VAL A 76 -2.803 8.715 -8.207 1.00 0.00 C ATOM 1234 O VAL A 76 -3.828 8.036 -8.249 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.577 7.858 -7.301 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.143 8.442 -8.518 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.343 7.832 -6.079 1.00 0.00 C ATOM 0 H VAL A 76 -3.009 7.120 -6.106 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.566 9.646 -6.749 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.850 6.829 -7.536 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.054 7.875 -8.708 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.509 8.383 -9.389 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.398 9.484 -8.325 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.251 7.278 -6.319 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.604 8.852 -5.799 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.169 7.347 -5.248 1.00 0.00 H new ATOM 1247 N ASP A 77 -2.420 9.555 -9.157 1.00 0.00 N ATOM 1248 CA ASP A 77 -3.215 9.738 -10.359 1.00 0.00 C ATOM 1249 C ASP A 77 -2.284 9.855 -11.568 1.00 0.00 C ATOM 1250 O ASP A 77 -1.119 10.222 -11.426 1.00 0.00 O ATOM 1251 CB ASP A 77 -4.049 11.018 -10.279 1.00 0.00 C ATOM 1252 CG ASP A 77 -5.045 11.214 -11.423 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -5.957 10.366 -11.533 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -4.873 12.208 -12.162 1.00 0.00 O ATOM 0 H ASP A 77 -1.569 10.117 -9.119 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.880 8.880 -10.457 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.597 11.018 -9.337 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.373 11.873 -10.255 1.00 0.00 H new ATOM 1259 N GLU A 78 -2.834 9.536 -12.731 1.00 0.00 N ATOM 1260 CA GLU A 78 -2.067 9.601 -13.964 1.00 0.00 C ATOM 1261 C GLU A 78 -1.618 11.039 -14.234 1.00 0.00 C ATOM 1262 O GLU A 78 -0.423 11.312 -14.330 1.00 0.00 O ATOM 1263 CB GLU A 78 -2.874 9.048 -15.140 1.00 0.00 C ATOM 1264 CG GLU A 78 -2.316 7.700 -15.602 1.00 0.00 C ATOM 1265 CD GLU A 78 -3.157 6.544 -15.056 1.00 0.00 C ATOM 1266 OE1 GLU A 78 -4.121 6.164 -15.755 1.00 0.00 O ATOM 1267 OE2 GLU A 78 -2.816 6.066 -13.953 1.00 0.00 O ATOM 0 H GLU A 78 -3.801 9.232 -12.845 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.179 8.979 -13.851 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.918 8.933 -14.847 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.851 9.758 -15.967 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.302 7.662 -16.691 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.284 7.595 -15.266 1.00 0.00 H new ATOM 1274 N GLU A 79 -2.601 11.920 -14.350 1.00 0.00 N ATOM 1275 CA GLU A 79 -2.321 13.322 -14.608 1.00 0.00 C ATOM 1276 C GLU A 79 -1.184 13.811 -13.709 1.00 0.00 C ATOM 1277 O GLU A 79 -0.165 14.296 -14.199 1.00 0.00 O ATOM 1278 CB GLU A 79 -3.577 14.176 -14.417 1.00 0.00 C ATOM 1279 CG GLU A 79 -3.803 15.096 -15.618 1.00 0.00 C ATOM 1280 CD GLU A 79 -3.386 16.532 -15.295 1.00 0.00 C ATOM 1281 OE1 GLU A 79 -3.967 17.090 -14.339 1.00 0.00 O ATOM 1282 OE2 GLU A 79 -2.496 17.040 -16.010 1.00 0.00 O ATOM 0 H GLU A 79 -3.592 11.690 -14.270 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.006 13.424 -15.646 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.444 13.529 -14.282 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.481 14.773 -13.510 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.233 14.731 -16.472 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.855 15.075 -15.904 1.00 0.00 H new ATOM 1289 N GLU A 80 -1.396 13.667 -12.409 1.00 0.00 N ATOM 1290 CA GLU A 80 -0.402 14.088 -11.437 1.00 0.00 C ATOM 1291 C GLU A 80 0.937 13.401 -11.716 1.00 0.00 C ATOM 1292 O GLU A 80 1.910 14.057 -12.086 1.00 0.00 O ATOM 1293 CB GLU A 80 -0.876 13.805 -10.010 1.00 0.00 C ATOM 1294 CG GLU A 80 -0.062 14.608 -8.993 1.00 0.00 C ATOM 1295 CD GLU A 80 0.377 13.725 -7.823 1.00 0.00 C ATOM 1296 OE1 GLU A 80 1.230 12.844 -8.065 1.00 0.00 O ATOM 1297 OE2 GLU A 80 -0.152 13.951 -6.713 1.00 0.00 O ATOM 0 H GLU A 80 -2.242 13.264 -12.006 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.263 15.165 -11.532 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.932 14.058 -9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.783 12.740 -9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.815 15.036 -9.480 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.658 15.441 -8.621 1.00 0.00 H new ATOM 1304 N ARG A 81 0.943 12.090 -11.528 1.00 0.00 N ATOM 1305 CA ARG A 81 2.146 11.307 -11.755 1.00 0.00 C ATOM 1306 C ARG A 81 2.064 10.585 -13.102 1.00 0.00 C ATOM 1307 O ARG A 81 1.222 9.708 -13.289 1.00 0.00 O ATOM 1308 CB ARG A 81 2.351 10.276 -10.643 1.00 0.00 C ATOM 1309 CG ARG A 81 3.611 10.586 -9.833 1.00 0.00 C ATOM 1310 CD ARG A 81 4.253 9.301 -9.305 1.00 0.00 C ATOM 1311 NE ARG A 81 5.724 9.375 -9.448 1.00 0.00 N ATOM 1312 CZ ARG A 81 6.532 8.306 -9.466 1.00 0.00 C ATOM 1313 NH1 ARG A 81 6.016 7.074 -9.349 1.00 0.00 N ATOM 1314 NH2 ARG A 81 7.855 8.468 -9.600 1.00 0.00 N ATOM 0 H ARG A 81 0.134 11.550 -11.221 1.00 0.00 H new ATOM 0 HA ARG A 81 2.992 11.994 -11.758 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.483 10.270 -9.984 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.429 9.279 -11.077 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.325 11.124 -10.456 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.359 11.241 -8.999 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.988 9.156 -8.258 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.869 8.441 -9.853 1.00 0.00 H new ATOM 0 HE ARG A 81 6.150 10.298 -9.539 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.009 6.951 -9.246 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.631 6.260 -9.363 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.248 9.405 -9.688 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.470 7.654 -9.614 1.00 0.00 H new ATOM 1328 N SER A 82 2.949 10.981 -14.005 1.00 0.00 N ATOM 1329 CA SER A 82 2.987 10.383 -15.328 1.00 0.00 C ATOM 1330 C SER A 82 3.758 9.063 -15.284 1.00 0.00 C ATOM 1331 O SER A 82 3.291 8.049 -15.801 1.00 0.00 O ATOM 1332 CB SER A 82 3.621 11.335 -16.345 1.00 0.00 C ATOM 1333 OG SER A 82 2.669 11.821 -17.287 1.00 0.00 O ATOM 0 H SER A 82 3.645 11.709 -13.846 1.00 0.00 H new ATOM 0 HA SER A 82 1.962 10.187 -15.644 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.074 12.176 -15.821 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.423 10.819 -16.873 1.00 0.00 H new ATOM 0 HG SER A 82 3.112 12.426 -17.917 1.00 0.00 H new ATOM 1339 N GLY A 83 4.926 9.117 -14.661 1.00 0.00 N ATOM 1340 CA GLY A 83 5.767 7.938 -14.542 1.00 0.00 C ATOM 1341 C GLY A 83 7.249 8.319 -14.549 1.00 0.00 C ATOM 1342 O GLY A 83 7.592 9.497 -14.461 1.00 0.00 O ATOM 0 H GLY A 83 5.310 9.959 -14.233 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.528 7.408 -13.620 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.560 7.254 -15.365 1.00 0.00 H new ATOM 1346 N PRO A 84 8.111 7.272 -14.656 1.00 0.00 N ATOM 1347 CA PRO A 84 9.548 7.485 -14.675 1.00 0.00 C ATOM 1348 C PRO A 84 10.002 8.042 -16.026 1.00 0.00 C ATOM 1349 O PRO A 84 10.168 7.292 -16.987 1.00 0.00 O ATOM 1350 CB PRO A 84 10.151 6.125 -14.361 1.00 0.00 C ATOM 1351 CG PRO A 84 9.054 5.109 -14.636 1.00 0.00 C ATOM 1352 CD PRO A 84 7.741 5.864 -14.762 1.00 0.00 C ATOM 0 HA PRO A 84 9.873 8.228 -13.947 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.026 5.933 -14.982 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.480 6.074 -13.323 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.266 4.556 -15.551 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.999 4.379 -13.829 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.253 5.653 -15.714 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.043 5.578 -13.976 1.00 0.00 H new ATOM 1360 N SER A 85 10.190 9.353 -16.056 1.00 0.00 N ATOM 1361 CA SER A 85 10.621 10.019 -17.273 1.00 0.00 C ATOM 1362 C SER A 85 11.668 9.168 -17.993 1.00 0.00 C ATOM 1363 O SER A 85 11.624 9.025 -19.215 1.00 0.00 O ATOM 1364 CB SER A 85 11.185 11.409 -16.970 1.00 0.00 C ATOM 1365 OG SER A 85 12.389 11.343 -16.211 1.00 0.00 O ATOM 0 H SER A 85 10.052 9.972 -15.257 1.00 0.00 H new ATOM 0 HA SER A 85 9.753 10.141 -17.921 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.375 11.935 -17.906 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.443 11.990 -16.423 1.00 0.00 H new ATOM 0 HG SER A 85 12.718 12.250 -16.040 1.00 0.00 H new ATOM 1371 N SER A 86 12.584 8.623 -17.207 1.00 0.00 N ATOM 1372 CA SER A 86 13.641 7.789 -17.754 1.00 0.00 C ATOM 1373 C SER A 86 13.050 6.487 -18.299 1.00 0.00 C ATOM 1374 O SER A 86 13.142 6.212 -19.494 1.00 0.00 O ATOM 1375 CB SER A 86 14.707 7.488 -16.699 1.00 0.00 C ATOM 1376 OG SER A 86 16.025 7.572 -17.234 1.00 0.00 O ATOM 0 H SER A 86 12.616 8.743 -16.195 1.00 0.00 H new ATOM 0 HA SER A 86 14.119 8.333 -18.569 1.00 0.00 H new ATOM 0 HB2 SER A 86 14.606 8.190 -15.871 1.00 0.00 H new ATOM 0 HB3 SER A 86 14.543 6.490 -16.293 1.00 0.00 H new ATOM 0 HG SER A 86 16.677 7.375 -16.530 1.00 0.00 H new ATOM 1382 N GLY A 87 12.456 5.720 -17.396 1.00 0.00 N ATOM 1383 CA GLY A 87 11.851 4.454 -17.771 1.00 0.00 C ATOM 1384 C GLY A 87 12.261 3.342 -16.804 1.00 0.00 C ATOM 1385 O GLY A 87 11.725 3.245 -15.701 1.00 0.00 O ATOM 0 H GLY A 87 12.381 5.952 -16.405 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.766 4.553 -17.777 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.153 4.189 -18.784 1.00 0.00 H new TER 1389 GLY A 87