USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 606 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 20 LYS NZ :NH3+ 139:sc= 1.12 (180deg=0.181) USER MOD Set 1.2: A 88 THR OG1 : rot -81:sc= 1.28 USER MOD Single : A 13 THR OG1 : rot 180:sc=0.000737 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 46:sc= 1.23 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0158 X(o=-0.016,f=-0.009) USER MOD Single : A 72 SER OG : rot -172:sc= 1.25 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.45 USER MOD Single : A 78 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 85:sc= 0.317 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HE2:sc= -0.0251 X(o=-0.025,f=-0.095) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ASP A 12 25.766 38.592 18.713 1.00 0.00 N ATOM 45 CA ASP A 12 26.917 38.972 17.956 1.00 0.00 C ATOM 46 C ASP A 12 27.740 37.760 17.684 1.00 0.00 C ATOM 47 O ASP A 12 28.210 37.094 18.605 1.00 0.00 O ATOM 48 CB ASP A 12 27.701 40.023 18.762 1.00 0.00 C ATOM 49 CG ASP A 12 28.554 40.945 17.903 1.00 0.00 C ATOM 50 OD1 ASP A 12 28.361 40.991 16.658 1.00 0.00 O ATOM 51 OD2 ASP A 12 29.368 41.711 18.485 1.00 0.00 O ATOM 0 HA ASP A 12 26.635 39.408 16.998 1.00 0.00 H new ATOM 0 HB2 ASP A 12 26.998 40.625 19.337 1.00 0.00 H new ATOM 0 HB3 ASP A 12 28.344 39.512 19.479 1.00 0.00 H new ATOM 56 N THR A 13 27.926 37.381 16.407 1.00 0.00 N ATOM 57 CA THR A 13 28.705 36.236 16.053 1.00 0.00 C ATOM 58 C THR A 13 30.138 36.604 15.876 1.00 0.00 C ATOM 59 O THR A 13 30.476 37.644 15.314 1.00 0.00 O ATOM 60 CB THR A 13 28.220 35.485 14.848 1.00 0.00 C ATOM 61 OG1 THR A 13 27.688 36.335 13.843 1.00 0.00 O ATOM 62 CG2 THR A 13 27.085 34.551 15.300 1.00 0.00 C ATOM 0 H THR A 13 27.530 37.877 15.609 1.00 0.00 H new ATOM 0 HA THR A 13 28.588 35.553 16.894 1.00 0.00 H new ATOM 0 HB THR A 13 29.073 34.953 14.427 1.00 0.00 H new ATOM 0 HG1 THR A 13 27.389 35.795 13.082 1.00 0.00 H new ATOM 0 HG21 THR A 13 26.712 33.991 14.443 1.00 0.00 H new ATOM 0 HG22 THR A 13 27.462 33.857 16.051 1.00 0.00 H new ATOM 0 HG23 THR A 13 26.275 35.143 15.727 1.00 0.00 H new ATOM 70 N PHE A 14 31.045 35.739 16.366 1.00 0.00 N ATOM 71 CA PHE A 14 32.456 35.893 16.191 1.00 0.00 C ATOM 72 C PHE A 14 33.122 34.563 16.098 1.00 0.00 C ATOM 73 O PHE A 14 32.776 33.587 16.762 1.00 0.00 O ATOM 74 CB PHE A 14 33.199 36.837 17.150 1.00 0.00 C ATOM 75 CG PHE A 14 32.748 36.993 18.561 1.00 0.00 C ATOM 76 CD1 PHE A 14 32.043 36.058 19.283 1.00 0.00 C ATOM 77 CD2 PHE A 14 33.134 38.157 19.184 1.00 0.00 C ATOM 78 CE1 PHE A 14 31.688 36.311 20.587 1.00 0.00 C ATOM 79 CE2 PHE A 14 32.811 38.404 20.498 1.00 0.00 C ATOM 80 CZ PHE A 14 32.078 37.478 21.201 1.00 0.00 C ATOM 0 H PHE A 14 30.789 34.908 16.900 1.00 0.00 H new ATOM 0 HA PHE A 14 32.534 36.427 15.244 1.00 0.00 H new ATOM 0 HB2 PHE A 14 34.239 36.512 17.179 1.00 0.00 H new ATOM 0 HB3 PHE A 14 33.188 37.829 16.698 1.00 0.00 H new ATOM 0 HD1 PHE A 14 31.767 35.121 18.823 1.00 0.00 H new ATOM 0 HD2 PHE A 14 33.701 38.891 18.631 1.00 0.00 H new ATOM 0 HE1 PHE A 14 31.099 35.589 21.133 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.131 39.319 20.974 1.00 0.00 H new ATOM 0 HZ PHE A 14 31.810 37.666 22.230 1.00 0.00 H new ATOM 90 N GLU A 15 34.111 34.495 15.190 1.00 0.00 N ATOM 91 CA GLU A 15 34.950 33.366 14.929 1.00 0.00 C ATOM 92 C GLU A 15 36.159 33.439 15.797 1.00 0.00 C ATOM 93 O GLU A 15 36.652 34.511 16.147 1.00 0.00 O ATOM 94 CB GLU A 15 35.336 33.325 13.442 1.00 0.00 C ATOM 95 CG GLU A 15 34.133 33.132 12.517 1.00 0.00 C ATOM 96 CD GLU A 15 34.255 33.855 11.184 1.00 0.00 C ATOM 97 OE1 GLU A 15 34.906 33.349 10.231 1.00 0.00 O ATOM 98 OE2 GLU A 15 33.661 34.960 11.068 1.00 0.00 O ATOM 0 H GLU A 15 34.341 35.290 14.593 1.00 0.00 H new ATOM 0 HA GLU A 15 34.411 32.447 15.159 1.00 0.00 H new ATOM 0 HB2 GLU A 15 35.845 34.252 13.179 1.00 0.00 H new ATOM 0 HB3 GLU A 15 36.046 32.514 13.279 1.00 0.00 H new ATOM 0 HG2 GLU A 15 33.999 32.067 12.330 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.236 33.481 13.027 1.00 0.00 H new ATOM 105 N VAL A 16 36.665 32.266 16.217 1.00 0.00 N ATOM 106 CA VAL A 16 37.745 32.123 17.144 1.00 0.00 C ATOM 107 C VAL A 16 38.808 31.324 16.473 1.00 0.00 C ATOM 108 O VAL A 16 38.622 30.135 16.221 1.00 0.00 O ATOM 109 CB VAL A 16 37.242 31.443 18.384 1.00 0.00 C ATOM 110 CG1 VAL A 16 38.342 30.822 19.261 1.00 0.00 C ATOM 111 CG2 VAL A 16 36.464 32.475 19.217 1.00 0.00 C ATOM 0 H VAL A 16 36.301 31.370 15.893 1.00 0.00 H new ATOM 0 HA VAL A 16 38.154 33.089 17.440 1.00 0.00 H new ATOM 0 HB VAL A 16 36.615 30.614 18.055 1.00 0.00 H new ATOM 0 HG11 VAL A 16 37.889 30.353 20.134 1.00 0.00 H new ATOM 0 HG12 VAL A 16 38.885 30.072 18.686 1.00 0.00 H new ATOM 0 HG13 VAL A 16 39.032 31.601 19.585 1.00 0.00 H new ATOM 0 HG21 VAL A 16 36.089 32.002 20.124 1.00 0.00 H new ATOM 0 HG22 VAL A 16 37.125 33.299 19.484 1.00 0.00 H new ATOM 0 HG23 VAL A 16 35.626 32.856 18.633 1.00 0.00 H new ATOM 121 N GLU A 17 39.954 31.943 16.138 1.00 0.00 N ATOM 122 CA GLU A 17 41.097 31.268 15.604 1.00 0.00 C ATOM 123 C GLU A 17 42.137 31.186 16.669 1.00 0.00 C ATOM 124 O GLU A 17 43.046 32.010 16.763 1.00 0.00 O ATOM 125 CB GLU A 17 41.679 31.967 14.365 1.00 0.00 C ATOM 126 CG GLU A 17 40.890 31.668 13.088 1.00 0.00 C ATOM 127 CD GLU A 17 41.473 32.398 11.887 1.00 0.00 C ATOM 128 OE1 GLU A 17 42.634 32.098 11.500 1.00 0.00 O ATOM 129 OE2 GLU A 17 40.759 33.244 11.286 1.00 0.00 O ATOM 0 H GLU A 17 40.090 32.948 16.242 1.00 0.00 H new ATOM 0 HA GLU A 17 40.781 30.275 15.283 1.00 0.00 H new ATOM 0 HB2 GLU A 17 41.693 33.044 14.534 1.00 0.00 H new ATOM 0 HB3 GLU A 17 42.714 31.653 14.229 1.00 0.00 H new ATOM 0 HG2 GLU A 17 40.894 30.594 12.900 1.00 0.00 H new ATOM 0 HG3 GLU A 17 39.850 31.963 13.225 1.00 0.00 H new ATOM 136 N LEU A 18 42.017 30.157 17.527 1.00 0.00 N ATOM 137 CA LEU A 18 42.732 30.028 18.758 1.00 0.00 C ATOM 138 C LEU A 18 43.721 28.917 18.667 1.00 0.00 C ATOM 139 O LEU A 18 43.479 27.904 18.013 1.00 0.00 O ATOM 140 CB LEU A 18 41.682 29.689 19.830 1.00 0.00 C ATOM 141 CG LEU A 18 42.153 29.626 21.293 1.00 0.00 C ATOM 142 CD1 LEU A 18 42.456 31.031 21.839 1.00 0.00 C ATOM 143 CD2 LEU A 18 41.056 28.951 22.134 1.00 0.00 C ATOM 0 H LEU A 18 41.387 29.374 17.352 1.00 0.00 H new ATOM 0 HA LEU A 18 43.275 30.943 18.994 1.00 0.00 H new ATOM 0 HB2 LEU A 18 40.885 30.429 19.765 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.243 28.724 19.577 1.00 0.00 H new ATOM 0 HG LEU A 18 43.075 29.047 21.348 1.00 0.00 H new ATOM 0 HD11 LEU A 18 42.787 30.955 22.875 1.00 0.00 H new ATOM 0 HD12 LEU A 18 43.241 31.493 21.240 1.00 0.00 H new ATOM 0 HD13 LEU A 18 41.555 31.643 21.790 1.00 0.00 H new ATOM 0 HD21 LEU A 18 41.376 28.899 23.175 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.136 29.532 22.066 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.878 27.943 21.758 1.00 0.00 H new ATOM 155 N ALA A 19 44.898 29.034 19.310 1.00 0.00 N ATOM 156 CA ALA A 19 45.809 27.944 19.479 1.00 0.00 C ATOM 157 C ALA A 19 45.729 27.421 20.871 1.00 0.00 C ATOM 158 O ALA A 19 45.643 28.191 21.827 1.00 0.00 O ATOM 159 CB ALA A 19 47.253 28.349 19.136 1.00 0.00 C ATOM 0 H ALA A 19 45.224 29.908 19.722 1.00 0.00 H new ATOM 0 HA ALA A 19 45.519 27.156 18.785 1.00 0.00 H new ATOM 0 HB1 ALA A 19 47.914 27.494 19.277 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.302 28.678 18.098 1.00 0.00 H new ATOM 0 HB3 ALA A 19 47.568 29.163 19.790 1.00 0.00 H new ATOM 165 N LYS A 20 45.751 26.088 21.049 1.00 0.00 N ATOM 166 CA LYS A 20 45.891 25.500 22.344 1.00 0.00 C ATOM 167 C LYS A 20 47.252 25.666 22.930 1.00 0.00 C ATOM 168 O LYS A 20 48.258 25.702 22.223 1.00 0.00 O ATOM 169 CB LYS A 20 45.515 24.008 22.358 1.00 0.00 C ATOM 170 CG LYS A 20 46.273 23.127 21.364 1.00 0.00 C ATOM 171 CD LYS A 20 46.006 21.625 21.495 1.00 0.00 C ATOM 172 CE LYS A 20 44.528 21.236 21.535 1.00 0.00 C ATOM 173 NZ LYS A 20 44.346 19.768 21.475 1.00 0.00 N ATOM 0 H LYS A 20 45.671 25.413 20.289 1.00 0.00 H new ATOM 0 HA LYS A 20 45.187 26.052 22.966 1.00 0.00 H new ATOM 0 HB2 LYS A 20 45.682 23.619 23.362 1.00 0.00 H new ATOM 0 HB3 LYS A 20 44.448 23.919 22.155 1.00 0.00 H new ATOM 0 HG2 LYS A 20 46.013 23.440 20.353 1.00 0.00 H new ATOM 0 HG3 LYS A 20 47.342 23.303 21.487 1.00 0.00 H new ATOM 0 HD2 LYS A 20 46.479 21.112 20.658 1.00 0.00 H new ATOM 0 HD3 LYS A 20 46.487 21.263 22.404 1.00 0.00 H new ATOM 0 HE2 LYS A 20 44.075 21.622 22.448 1.00 0.00 H new ATOM 0 HE3 LYS A 20 44.006 21.702 20.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.595 19.484 22.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.080 19.490 20.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 45.235 19.297 21.738 1.00 0.00 H new ATOM 187 N THR A 21 47.349 25.755 24.268 1.00 0.00 N ATOM 188 CA THR A 21 48.591 25.898 24.962 1.00 0.00 C ATOM 189 C THR A 21 48.892 24.636 25.694 1.00 0.00 C ATOM 190 O THR A 21 48.189 24.231 26.619 1.00 0.00 O ATOM 191 CB THR A 21 48.685 27.126 25.819 1.00 0.00 C ATOM 192 OG1 THR A 21 49.972 27.289 26.395 1.00 0.00 O ATOM 193 CG2 THR A 21 47.643 27.175 26.949 1.00 0.00 C ATOM 0 H THR A 21 46.538 25.727 24.886 1.00 0.00 H new ATOM 0 HA THR A 21 49.370 26.064 24.218 1.00 0.00 H new ATOM 0 HB THR A 21 48.482 27.943 25.126 1.00 0.00 H new ATOM 0 HG1 THR A 21 49.985 28.102 26.942 1.00 0.00 H new ATOM 0 HG21 THR A 21 47.774 28.091 27.525 1.00 0.00 H new ATOM 0 HG22 THR A 21 46.641 27.155 26.521 1.00 0.00 H new ATOM 0 HG23 THR A 21 47.775 26.313 27.603 1.00 0.00 H new ATOM 201 N ASP A 22 49.935 23.919 25.241 1.00 0.00 N ATOM 202 CA ASP A 22 50.422 22.668 25.734 1.00 0.00 C ATOM 203 C ASP A 22 49.364 21.666 26.049 1.00 0.00 C ATOM 204 O ASP A 22 49.302 21.095 27.136 1.00 0.00 O ATOM 205 CB ASP A 22 51.428 22.914 26.873 1.00 0.00 C ATOM 206 CG ASP A 22 52.456 21.805 27.036 1.00 0.00 C ATOM 207 OD1 ASP A 22 52.445 20.812 26.261 1.00 0.00 O ATOM 208 OD2 ASP A 22 53.312 21.922 27.953 1.00 0.00 O ATOM 0 H ASP A 22 50.490 24.250 24.452 1.00 0.00 H new ATOM 0 HA ASP A 22 50.956 22.180 24.918 1.00 0.00 H new ATOM 0 HB2 ASP A 22 51.948 23.854 26.689 1.00 0.00 H new ATOM 0 HB3 ASP A 22 50.881 23.030 27.809 1.00 0.00 H new ATOM 213 N GLY A 23 48.447 21.445 25.090 1.00 0.00 N ATOM 214 CA GLY A 23 47.331 20.561 25.226 1.00 0.00 C ATOM 215 C GLY A 23 46.023 21.230 25.472 1.00 0.00 C ATOM 216 O GLY A 23 44.995 20.790 24.962 1.00 0.00 O ATOM 0 H GLY A 23 48.485 21.903 24.179 1.00 0.00 H new ATOM 0 HA2 GLY A 23 47.250 19.961 24.320 1.00 0.00 H new ATOM 0 HA3 GLY A 23 47.530 19.873 26.048 1.00 0.00 H new ATOM 220 N SER A 24 45.982 22.297 26.292 1.00 0.00 N ATOM 221 CA SER A 24 44.773 22.765 26.895 1.00 0.00 C ATOM 222 C SER A 24 44.176 23.966 26.247 1.00 0.00 C ATOM 223 O SER A 24 44.874 24.824 25.708 1.00 0.00 O ATOM 224 CB SER A 24 44.980 23.103 28.381 1.00 0.00 C ATOM 225 OG SER A 24 45.472 21.982 29.100 1.00 0.00 O ATOM 0 H SER A 24 46.806 22.845 26.540 1.00 0.00 H new ATOM 0 HA SER A 24 44.082 21.932 26.765 1.00 0.00 H new ATOM 0 HB2 SER A 24 45.680 23.933 28.473 1.00 0.00 H new ATOM 0 HB3 SER A 24 44.036 23.432 28.817 1.00 0.00 H new ATOM 0 HG SER A 24 45.596 22.226 30.041 1.00 0.00 H new ATOM 231 N LEU A 25 42.836 24.081 26.284 1.00 0.00 N ATOM 232 CA LEU A 25 42.115 25.205 25.771 1.00 0.00 C ATOM 233 C LEU A 25 41.576 26.067 26.859 1.00 0.00 C ATOM 234 O LEU A 25 41.920 27.244 26.956 1.00 0.00 O ATOM 235 CB LEU A 25 40.946 24.815 24.850 1.00 0.00 C ATOM 236 CG LEU A 25 41.316 24.395 23.418 1.00 0.00 C ATOM 237 CD1 LEU A 25 42.187 25.446 22.710 1.00 0.00 C ATOM 238 CD2 LEU A 25 41.918 22.982 23.339 1.00 0.00 C ATOM 0 H LEU A 25 42.232 23.364 26.686 1.00 0.00 H new ATOM 0 HA LEU A 25 42.852 25.754 25.186 1.00 0.00 H new ATOM 0 HB2 LEU A 25 40.402 23.994 25.317 1.00 0.00 H new ATOM 0 HB3 LEU A 25 40.260 25.660 24.792 1.00 0.00 H new ATOM 0 HG LEU A 25 40.376 24.345 22.868 1.00 0.00 H new ATOM 0 HD11 LEU A 25 42.422 25.104 21.702 1.00 0.00 H new ATOM 0 HD12 LEU A 25 41.646 26.391 22.656 1.00 0.00 H new ATOM 0 HD13 LEU A 25 43.111 25.589 23.270 1.00 0.00 H new ATOM 0 HD21 LEU A 25 42.157 22.746 22.302 1.00 0.00 H new ATOM 0 HD22 LEU A 25 42.826 22.939 23.940 1.00 0.00 H new ATOM 0 HD23 LEU A 25 41.197 22.258 23.719 1.00 0.00 H new ATOM 250 N GLY A 26 40.692 25.557 27.736 1.00 0.00 N ATOM 251 CA GLY A 26 40.184 26.256 28.876 1.00 0.00 C ATOM 252 C GLY A 26 38.712 26.477 28.809 1.00 0.00 C ATOM 253 O GLY A 26 38.205 27.472 29.326 1.00 0.00 O ATOM 0 H GLY A 26 40.314 24.614 27.646 1.00 0.00 H new ATOM 0 HA2 GLY A 26 40.421 25.692 29.778 1.00 0.00 H new ATOM 0 HA3 GLY A 26 40.688 27.219 28.960 1.00 0.00 H new ATOM 257 N ILE A 27 37.970 25.542 28.188 1.00 0.00 N ATOM 258 CA ILE A 27 36.556 25.611 27.993 1.00 0.00 C ATOM 259 C ILE A 27 35.933 24.390 28.578 1.00 0.00 C ATOM 260 O ILE A 27 36.455 23.283 28.461 1.00 0.00 O ATOM 261 CB ILE A 27 36.174 25.723 26.547 1.00 0.00 C ATOM 262 CG1 ILE A 27 37.192 25.046 25.614 1.00 0.00 C ATOM 263 CG2 ILE A 27 35.996 27.216 26.222 1.00 0.00 C ATOM 264 CD1 ILE A 27 36.770 25.051 24.146 1.00 0.00 C ATOM 0 H ILE A 27 38.380 24.692 27.801 1.00 0.00 H new ATOM 0 HA ILE A 27 36.196 26.513 28.488 1.00 0.00 H new ATOM 0 HB ILE A 27 35.238 25.191 26.376 1.00 0.00 H new ATOM 0 HG12 ILE A 27 38.153 25.552 25.709 1.00 0.00 H new ATOM 0 HG13 ILE A 27 37.341 24.016 25.938 1.00 0.00 H new ATOM 0 HG21 ILE A 27 35.717 27.330 25.174 1.00 0.00 H new ATOM 0 HG22 ILE A 27 35.213 27.635 26.853 1.00 0.00 H new ATOM 0 HG23 ILE A 27 36.932 27.743 26.408 1.00 0.00 H new ATOM 0 HD11 ILE A 27 37.535 24.558 23.546 1.00 0.00 H new ATOM 0 HD12 ILE A 27 35.824 24.520 24.037 1.00 0.00 H new ATOM 0 HD13 ILE A 27 36.649 26.079 23.806 1.00 0.00 H new ATOM 276 N SER A 28 34.776 24.539 29.247 1.00 0.00 N ATOM 277 CA SER A 28 33.965 23.449 29.694 1.00 0.00 C ATOM 278 C SER A 28 32.574 23.708 29.231 1.00 0.00 C ATOM 279 O SER A 28 32.041 24.788 29.481 1.00 0.00 O ATOM 280 CB SER A 28 34.002 23.315 31.226 1.00 0.00 C ATOM 281 OG SER A 28 33.342 22.150 31.700 1.00 0.00 O ATOM 0 H SER A 28 34.391 25.453 29.486 1.00 0.00 H new ATOM 0 HA SER A 28 34.343 22.513 29.283 1.00 0.00 H new ATOM 0 HB2 SER A 28 35.040 23.298 31.558 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.539 24.195 31.673 1.00 0.00 H new ATOM 0 HG SER A 28 33.399 22.117 32.678 1.00 0.00 H new ATOM 287 N VAL A 29 31.942 22.766 28.507 1.00 0.00 N ATOM 288 CA VAL A 29 30.675 22.967 27.878 1.00 0.00 C ATOM 289 C VAL A 29 29.576 22.218 28.550 1.00 0.00 C ATOM 290 O VAL A 29 29.796 21.394 29.435 1.00 0.00 O ATOM 291 CB VAL A 29 30.697 22.680 26.406 1.00 0.00 C ATOM 292 CG1 VAL A 29 31.666 23.653 25.713 1.00 0.00 C ATOM 293 CG2 VAL A 29 31.091 21.222 26.118 1.00 0.00 C ATOM 0 H VAL A 29 32.327 21.834 28.355 1.00 0.00 H new ATOM 0 HA VAL A 29 30.466 24.031 27.993 1.00 0.00 H new ATOM 0 HB VAL A 29 29.692 22.823 26.010 1.00 0.00 H new ATOM 0 HG11 VAL A 29 31.685 23.447 24.643 1.00 0.00 H new ATOM 0 HG12 VAL A 29 31.334 24.678 25.880 1.00 0.00 H new ATOM 0 HG13 VAL A 29 32.667 23.524 26.125 1.00 0.00 H new ATOM 0 HG21 VAL A 29 31.096 21.052 25.041 1.00 0.00 H new ATOM 0 HG22 VAL A 29 32.085 21.027 26.521 1.00 0.00 H new ATOM 0 HG23 VAL A 29 30.372 20.551 26.588 1.00 0.00 H new ATOM 303 N THR A 30 28.321 22.523 28.174 1.00 0.00 N ATOM 304 CA THR A 30 27.125 21.944 28.701 1.00 0.00 C ATOM 305 C THR A 30 26.086 21.916 27.634 1.00 0.00 C ATOM 306 O THR A 30 26.179 22.660 26.659 1.00 0.00 O ATOM 307 CB THR A 30 26.626 22.711 29.891 1.00 0.00 C ATOM 308 OG1 THR A 30 25.678 22.004 30.676 1.00 0.00 O ATOM 309 CG2 THR A 30 26.050 24.101 29.571 1.00 0.00 C ATOM 0 H THR A 30 28.131 23.220 27.454 1.00 0.00 H new ATOM 0 HA THR A 30 27.344 20.929 29.032 1.00 0.00 H new ATOM 0 HB THR A 30 27.541 22.847 30.468 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.399 22.561 31.432 1.00 0.00 H new ATOM 0 HG21 THR A 30 25.716 24.577 30.493 1.00 0.00 H new ATOM 0 HG22 THR A 30 26.820 24.715 29.104 1.00 0.00 H new ATOM 0 HG23 THR A 30 25.206 23.997 28.890 1.00 0.00 H new ATOM 317 N GLY A 31 25.045 21.074 27.759 1.00 0.00 N ATOM 318 CA GLY A 31 23.890 21.124 26.919 1.00 0.00 C ATOM 319 C GLY A 31 23.629 19.853 26.187 1.00 0.00 C ATOM 320 O GLY A 31 23.815 18.768 26.736 1.00 0.00 O ATOM 0 H GLY A 31 25.006 20.338 28.464 1.00 0.00 H new ATOM 0 HA2 GLY A 31 23.019 21.369 27.527 1.00 0.00 H new ATOM 0 HA3 GLY A 31 24.011 21.931 26.197 1.00 0.00 H new ATOM 324 N GLY A 32 23.161 19.941 24.929 1.00 0.00 N ATOM 325 CA GLY A 32 22.958 18.822 24.061 1.00 0.00 C ATOM 326 C GLY A 32 21.556 18.590 23.609 1.00 0.00 C ATOM 327 O GLY A 32 20.596 19.158 24.126 1.00 0.00 O ATOM 0 H GLY A 32 22.913 20.831 24.498 1.00 0.00 H new ATOM 0 HA2 GLY A 32 23.586 18.953 23.180 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.307 17.924 24.571 1.00 0.00 H new ATOM 331 N VAL A 33 21.380 17.735 22.587 1.00 0.00 N ATOM 332 CA VAL A 33 20.112 17.408 22.010 1.00 0.00 C ATOM 333 C VAL A 33 19.414 16.260 22.654 1.00 0.00 C ATOM 334 O VAL A 33 18.187 16.199 22.680 1.00 0.00 O ATOM 335 CB VAL A 33 20.248 17.256 20.523 1.00 0.00 C ATOM 336 CG1 VAL A 33 20.869 15.912 20.109 1.00 0.00 C ATOM 337 CG2 VAL A 33 18.897 17.474 19.823 1.00 0.00 C ATOM 0 H VAL A 33 22.158 17.248 22.141 1.00 0.00 H new ATOM 0 HA VAL A 33 19.448 18.248 22.213 1.00 0.00 H new ATOM 0 HB VAL A 33 20.942 18.030 20.197 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.940 15.863 19.022 1.00 0.00 H new ATOM 0 HG12 VAL A 33 21.865 15.823 20.542 1.00 0.00 H new ATOM 0 HG13 VAL A 33 20.242 15.096 20.468 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.022 17.359 18.746 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.177 16.740 20.185 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.533 18.478 20.040 1.00 0.00 H new ATOM 450 N GLY A 41 21.055 22.867 22.283 1.00 0.00 N ATOM 451 CA GLY A 41 22.050 23.892 22.339 1.00 0.00 C ATOM 452 C GLY A 41 23.234 23.449 23.128 1.00 0.00 C ATOM 453 O GLY A 41 23.084 22.843 24.188 1.00 0.00 O ATOM 0 HA2 GLY A 41 22.361 24.157 21.328 1.00 0.00 H new ATOM 0 HA3 GLY A 41 21.626 24.790 22.787 1.00 0.00 H new ATOM 457 N ILE A 42 24.449 23.757 22.643 1.00 0.00 N ATOM 458 CA ILE A 42 25.685 23.554 23.333 1.00 0.00 C ATOM 459 C ILE A 42 26.123 24.886 23.837 1.00 0.00 C ATOM 460 O ILE A 42 26.295 25.824 23.061 1.00 0.00 O ATOM 461 CB ILE A 42 26.753 22.963 22.463 1.00 0.00 C ATOM 462 CG1 ILE A 42 26.285 21.701 21.719 1.00 0.00 C ATOM 463 CG2 ILE A 42 28.026 22.672 23.276 1.00 0.00 C ATOM 464 CD1 ILE A 42 25.921 20.517 22.615 1.00 0.00 C ATOM 0 H ILE A 42 24.576 24.170 21.719 1.00 0.00 H new ATOM 0 HA ILE A 42 25.527 22.839 24.140 1.00 0.00 H new ATOM 0 HB ILE A 42 26.983 23.711 21.704 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.417 21.957 21.112 1.00 0.00 H new ATOM 0 HG13 ILE A 42 27.073 21.389 21.033 1.00 0.00 H new ATOM 0 HG21 ILE A 42 28.786 22.244 22.622 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.401 23.599 23.709 1.00 0.00 H new ATOM 0 HG23 ILE A 42 27.795 21.966 24.074 1.00 0.00 H new ATOM 0 HD11 ILE A 42 25.604 19.677 21.997 1.00 0.00 H new ATOM 0 HD12 ILE A 42 26.791 20.226 23.204 1.00 0.00 H new ATOM 0 HD13 ILE A 42 25.109 20.803 23.283 1.00 0.00 H new ATOM 476 N TYR A 43 26.297 25.047 25.161 1.00 0.00 N ATOM 477 CA TYR A 43 26.634 26.306 25.751 1.00 0.00 C ATOM 478 C TYR A 43 27.877 26.150 26.557 1.00 0.00 C ATOM 479 O TYR A 43 28.261 25.051 26.952 1.00 0.00 O ATOM 480 CB TYR A 43 25.525 26.840 26.674 1.00 0.00 C ATOM 481 CG TYR A 43 24.344 27.311 25.899 1.00 0.00 C ATOM 482 CD1 TYR A 43 23.337 26.437 25.560 1.00 0.00 C ATOM 483 CD2 TYR A 43 24.220 28.636 25.554 1.00 0.00 C ATOM 484 CE1 TYR A 43 22.227 26.876 24.880 1.00 0.00 C ATOM 485 CE2 TYR A 43 23.113 29.086 24.873 1.00 0.00 C ATOM 486 CZ TYR A 43 22.119 28.202 24.528 1.00 0.00 C ATOM 487 OH TYR A 43 20.975 28.632 23.824 1.00 0.00 O ATOM 0 H TYR A 43 26.202 24.288 25.835 1.00 0.00 H new ATOM 0 HA TYR A 43 26.770 27.018 24.937 1.00 0.00 H new ATOM 0 HB2 TYR A 43 25.217 26.055 27.365 1.00 0.00 H new ATOM 0 HB3 TYR A 43 25.916 27.660 27.276 1.00 0.00 H new ATOM 0 HD1 TYR A 43 23.420 25.395 25.831 1.00 0.00 H new ATOM 0 HD2 TYR A 43 25.001 29.332 25.821 1.00 0.00 H new ATOM 0 HE1 TYR A 43 21.441 26.182 24.622 1.00 0.00 H new ATOM 0 HE2 TYR A 43 23.025 30.130 24.610 1.00 0.00 H new ATOM 0 HH TYR A 43 21.042 29.594 23.647 1.00 0.00 H new ATOM 497 N VAL A 44 28.562 27.267 26.860 1.00 0.00 N ATOM 498 CA VAL A 44 29.668 27.296 27.767 1.00 0.00 C ATOM 499 C VAL A 44 29.190 27.201 29.175 1.00 0.00 C ATOM 500 O VAL A 44 28.310 27.941 29.613 1.00 0.00 O ATOM 501 CB VAL A 44 30.543 28.497 27.560 1.00 0.00 C ATOM 502 CG1 VAL A 44 31.743 28.502 28.522 1.00 0.00 C ATOM 503 CG2 VAL A 44 31.067 28.491 26.114 1.00 0.00 C ATOM 0 H VAL A 44 28.340 28.179 26.461 1.00 0.00 H new ATOM 0 HA VAL A 44 30.289 26.425 27.557 1.00 0.00 H new ATOM 0 HB VAL A 44 29.946 29.387 27.756 1.00 0.00 H new ATOM 0 HG11 VAL A 44 32.352 29.388 28.340 1.00 0.00 H new ATOM 0 HG12 VAL A 44 31.384 28.514 29.551 1.00 0.00 H new ATOM 0 HG13 VAL A 44 32.345 27.608 28.358 1.00 0.00 H new ATOM 0 HG21 VAL A 44 31.704 29.361 25.954 1.00 0.00 H new ATOM 0 HG22 VAL A 44 31.643 27.582 25.939 1.00 0.00 H new ATOM 0 HG23 VAL A 44 30.226 28.526 25.422 1.00 0.00 H new ATOM 513 N LYS A 45 29.752 26.260 29.955 1.00 0.00 N ATOM 514 CA LYS A 45 29.457 26.074 31.341 1.00 0.00 C ATOM 515 C LYS A 45 30.372 26.898 32.180 1.00 0.00 C ATOM 516 O LYS A 45 29.950 27.627 33.077 1.00 0.00 O ATOM 517 CB LYS A 45 29.614 24.601 31.756 1.00 0.00 C ATOM 518 CG LYS A 45 28.885 24.278 33.062 1.00 0.00 C ATOM 519 CD LYS A 45 29.308 22.977 33.746 1.00 0.00 C ATOM 520 CE LYS A 45 29.138 21.707 32.911 1.00 0.00 C ATOM 521 NZ LYS A 45 29.275 20.510 33.771 1.00 0.00 N ATOM 0 H LYS A 45 30.444 25.599 29.602 1.00 0.00 H new ATOM 0 HA LYS A 45 28.423 26.382 31.495 1.00 0.00 H new ATOM 0 HB2 LYS A 45 29.230 23.961 30.962 1.00 0.00 H new ATOM 0 HB3 LYS A 45 30.673 24.370 31.868 1.00 0.00 H new ATOM 0 HG2 LYS A 45 29.041 25.102 33.758 1.00 0.00 H new ATOM 0 HG3 LYS A 45 27.815 24.230 32.859 1.00 0.00 H new ATOM 0 HD2 LYS A 45 30.355 23.063 34.035 1.00 0.00 H new ATOM 0 HD3 LYS A 45 28.732 22.866 34.665 1.00 0.00 H new ATOM 0 HE2 LYS A 45 28.160 21.708 32.429 1.00 0.00 H new ATOM 0 HE3 LYS A 45 29.885 21.682 32.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 29.158 19.653 33.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 30.217 20.505 34.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 28.546 20.530 34.513 1.00 0.00 H new ATOM 535 N ALA A 46 31.687 26.788 31.918 1.00 0.00 N ATOM 536 CA ALA A 46 32.701 27.419 32.703 1.00 0.00 C ATOM 537 C ALA A 46 33.865 27.768 31.841 1.00 0.00 C ATOM 538 O ALA A 46 34.140 27.086 30.854 1.00 0.00 O ATOM 539 CB ALA A 46 33.155 26.471 33.825 1.00 0.00 C ATOM 0 H ALA A 46 32.055 26.244 31.137 1.00 0.00 H new ATOM 0 HA ALA A 46 32.295 28.330 33.143 1.00 0.00 H new ATOM 0 HB1 ALA A 46 33.928 26.956 34.421 1.00 0.00 H new ATOM 0 HB2 ALA A 46 32.305 26.228 34.462 1.00 0.00 H new ATOM 0 HB3 ALA A 46 33.555 25.556 33.388 1.00 0.00 H new ATOM 545 N ILE A 47 34.601 28.834 32.200 1.00 0.00 N ATOM 546 CA ILE A 47 35.848 29.182 31.590 1.00 0.00 C ATOM 547 C ILE A 47 36.928 28.937 32.586 1.00 0.00 C ATOM 548 O ILE A 47 36.878 29.407 33.721 1.00 0.00 O ATOM 549 CB ILE A 47 35.842 30.529 30.932 1.00 0.00 C ATOM 550 CG1 ILE A 47 36.505 30.464 29.546 1.00 0.00 C ATOM 551 CG2 ILE A 47 36.502 31.660 31.739 1.00 0.00 C ATOM 552 CD1 ILE A 47 35.650 29.801 28.468 1.00 0.00 C ATOM 0 H ILE A 47 34.319 29.477 32.940 1.00 0.00 H new ATOM 0 HA ILE A 47 36.045 28.540 30.732 1.00 0.00 H new ATOM 0 HB ILE A 47 34.784 30.781 30.856 1.00 0.00 H new ATOM 0 HG12 ILE A 47 36.750 31.477 29.226 1.00 0.00 H new ATOM 0 HG13 ILE A 47 37.446 29.920 29.632 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.444 32.591 31.175 1.00 0.00 H new ATOM 0 HG22 ILE A 47 35.983 31.779 32.690 1.00 0.00 H new ATOM 0 HG23 ILE A 47 37.547 31.412 31.925 1.00 0.00 H new ATOM 0 HD11 ILE A 47 36.194 29.798 27.523 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.426 28.775 28.761 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.719 30.356 28.349 1.00 0.00 H new ATOM 564 N ILE A 48 37.895 28.075 32.221 1.00 0.00 N ATOM 565 CA ILE A 48 38.926 27.556 33.064 1.00 0.00 C ATOM 566 C ILE A 48 40.022 28.532 33.322 1.00 0.00 C ATOM 567 O ILE A 48 40.652 28.931 32.344 1.00 0.00 O ATOM 568 CB ILE A 48 39.514 26.280 32.537 1.00 0.00 C ATOM 569 CG1 ILE A 48 38.421 25.288 32.104 1.00 0.00 C ATOM 570 CG2 ILE A 48 40.463 25.638 33.563 1.00 0.00 C ATOM 571 CD1 ILE A 48 37.503 24.780 33.214 1.00 0.00 C ATOM 0 H ILE A 48 37.959 27.716 31.268 1.00 0.00 H new ATOM 0 HA ILE A 48 38.426 27.349 34.010 1.00 0.00 H new ATOM 0 HB ILE A 48 40.097 26.535 31.652 1.00 0.00 H new ATOM 0 HG12 ILE A 48 37.806 25.765 31.341 1.00 0.00 H new ATOM 0 HG13 ILE A 48 38.902 24.429 31.635 1.00 0.00 H new ATOM 0 HG21 ILE A 48 40.873 24.715 33.152 1.00 0.00 H new ATOM 0 HG22 ILE A 48 41.276 26.328 33.788 1.00 0.00 H new ATOM 0 HG23 ILE A 48 39.913 25.415 34.477 1.00 0.00 H new ATOM 0 HD11 ILE A 48 36.773 24.088 32.794 1.00 0.00 H new ATOM 0 HD12 ILE A 48 38.096 24.266 33.970 1.00 0.00 H new ATOM 0 HD13 ILE A 48 36.984 25.623 33.671 1.00 0.00 H new ATOM 583 N PRO A 49 40.358 28.937 34.510 1.00 0.00 N ATOM 584 CA PRO A 49 41.345 29.954 34.735 1.00 0.00 C ATOM 585 C PRO A 49 42.704 29.684 34.187 1.00 0.00 C ATOM 586 O PRO A 49 43.308 28.669 34.529 1.00 0.00 O ATOM 587 CB PRO A 49 41.419 30.089 36.254 1.00 0.00 C ATOM 588 CG PRO A 49 39.986 29.763 36.705 1.00 0.00 C ATOM 589 CD PRO A 49 39.605 28.646 35.720 1.00 0.00 C ATOM 0 HA PRO A 49 41.038 30.856 34.206 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.144 29.398 36.685 1.00 0.00 H new ATOM 0 HB3 PRO A 49 41.717 31.093 36.555 1.00 0.00 H new ATOM 0 HG2 PRO A 49 39.948 29.427 37.741 1.00 0.00 H new ATOM 0 HG3 PRO A 49 39.324 30.625 36.625 1.00 0.00 H new ATOM 0 HD2 PRO A 49 39.862 27.664 36.118 1.00 0.00 H new ATOM 0 HD3 PRO A 49 38.533 28.640 35.526 1.00 0.00 H new ATOM 597 N LYS A 50 43.198 30.596 33.331 1.00 0.00 N ATOM 598 CA LYS A 50 44.496 30.609 32.730 1.00 0.00 C ATOM 599 C LYS A 50 44.608 29.744 31.522 1.00 0.00 C ATOM 600 O LYS A 50 45.708 29.413 31.083 1.00 0.00 O ATOM 601 CB LYS A 50 45.663 30.482 33.723 1.00 0.00 C ATOM 602 CG LYS A 50 45.589 31.501 34.862 1.00 0.00 C ATOM 603 CD LYS A 50 46.926 31.734 35.567 1.00 0.00 C ATOM 604 CE LYS A 50 46.886 32.962 36.479 1.00 0.00 C ATOM 605 NZ LYS A 50 48.246 33.311 36.949 1.00 0.00 N ATOM 0 H LYS A 50 42.638 31.395 33.034 1.00 0.00 H new ATOM 0 HA LYS A 50 44.606 31.623 32.345 1.00 0.00 H new ATOM 0 HB2 LYS A 50 45.669 29.476 34.142 1.00 0.00 H new ATOM 0 HB3 LYS A 50 46.604 30.610 33.188 1.00 0.00 H new ATOM 0 HG2 LYS A 50 45.227 32.450 34.466 1.00 0.00 H new ATOM 0 HG3 LYS A 50 44.857 31.161 35.594 1.00 0.00 H new ATOM 0 HD2 LYS A 50 47.184 30.854 36.155 1.00 0.00 H new ATOM 0 HD3 LYS A 50 47.712 31.861 34.822 1.00 0.00 H new ATOM 0 HE2 LYS A 50 46.454 33.806 35.941 1.00 0.00 H new ATOM 0 HE3 LYS A 50 46.240 32.765 37.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 48.196 34.147 37.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 48.645 32.511 37.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 48.853 33.521 36.131 1.00 0.00 H new ATOM 619 N GLY A 51 43.472 29.398 30.890 1.00 0.00 N ATOM 620 CA GLY A 51 43.474 28.737 29.623 1.00 0.00 C ATOM 621 C GLY A 51 43.621 29.640 28.446 1.00 0.00 C ATOM 622 O GLY A 51 43.359 30.839 28.513 1.00 0.00 O ATOM 0 H GLY A 51 42.540 29.580 31.264 1.00 0.00 H new ATOM 0 HA2 GLY A 51 44.287 28.011 29.609 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.544 28.177 29.520 1.00 0.00 H new ATOM 626 N ALA A 52 44.002 29.060 27.293 1.00 0.00 N ATOM 627 CA ALA A 52 44.032 29.658 25.995 1.00 0.00 C ATOM 628 C ALA A 52 42.782 30.375 25.619 1.00 0.00 C ATOM 629 O ALA A 52 42.795 31.561 25.291 1.00 0.00 O ATOM 630 CB ALA A 52 44.335 28.580 24.939 1.00 0.00 C ATOM 0 H ALA A 52 44.315 28.090 27.270 1.00 0.00 H new ATOM 0 HA ALA A 52 44.818 30.413 26.031 1.00 0.00 H new ATOM 0 HB1 ALA A 52 44.358 29.036 23.949 1.00 0.00 H new ATOM 0 HB2 ALA A 52 45.302 28.125 25.151 1.00 0.00 H new ATOM 0 HB3 ALA A 52 43.560 27.814 24.968 1.00 0.00 H new ATOM 636 N ALA A 53 41.650 29.649 25.647 1.00 0.00 N ATOM 637 CA ALA A 53 40.320 30.097 25.375 1.00 0.00 C ATOM 638 C ALA A 53 39.863 31.132 26.345 1.00 0.00 C ATOM 639 O ALA A 53 39.428 32.213 25.951 1.00 0.00 O ATOM 640 CB ALA A 53 39.338 28.913 25.396 1.00 0.00 C ATOM 0 H ALA A 53 41.671 28.657 25.882 1.00 0.00 H new ATOM 0 HA ALA A 53 40.337 30.548 24.383 1.00 0.00 H new ATOM 0 HB1 ALA A 53 38.330 29.272 25.187 1.00 0.00 H new ATOM 0 HB2 ALA A 53 39.629 28.186 24.638 1.00 0.00 H new ATOM 0 HB3 ALA A 53 39.358 28.441 26.378 1.00 0.00 H new ATOM 646 N GLU A 54 39.986 30.800 27.643 1.00 0.00 N ATOM 647 CA GLU A 54 39.719 31.673 28.743 1.00 0.00 C ATOM 648 C GLU A 54 40.214 33.072 28.618 1.00 0.00 C ATOM 649 O GLU A 54 39.443 34.028 28.556 1.00 0.00 O ATOM 650 CB GLU A 54 40.281 31.068 30.042 1.00 0.00 C ATOM 651 CG GLU A 54 39.930 31.859 31.304 1.00 0.00 C ATOM 652 CD GLU A 54 40.974 32.805 31.880 1.00 0.00 C ATOM 653 OE1 GLU A 54 42.195 32.636 31.621 1.00 0.00 O ATOM 654 OE2 GLU A 54 40.564 33.726 32.635 1.00 0.00 O ATOM 0 H GLU A 54 40.288 29.872 27.940 1.00 0.00 H new ATOM 0 HA GLU A 54 38.632 31.752 28.755 1.00 0.00 H new ATOM 0 HB2 GLU A 54 39.905 30.050 30.148 1.00 0.00 H new ATOM 0 HB3 GLU A 54 41.366 31.000 29.959 1.00 0.00 H new ATOM 0 HG2 GLU A 54 39.035 32.443 31.091 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.666 31.143 32.082 1.00 0.00 H new ATOM 661 N SER A 55 41.552 33.211 28.569 1.00 0.00 N ATOM 662 CA SER A 55 42.239 34.464 28.540 1.00 0.00 C ATOM 663 C SER A 55 42.094 35.240 27.276 1.00 0.00 C ATOM 664 O SER A 55 42.414 36.426 27.236 1.00 0.00 O ATOM 665 CB SER A 55 43.739 34.266 28.816 1.00 0.00 C ATOM 666 OG SER A 55 43.971 34.042 30.199 1.00 0.00 O ATOM 0 H SER A 55 42.184 32.410 28.549 1.00 0.00 H new ATOM 0 HA SER A 55 41.759 35.050 29.324 1.00 0.00 H new ATOM 0 HB2 SER A 55 44.111 33.420 28.238 1.00 0.00 H new ATOM 0 HB3 SER A 55 44.293 35.145 28.487 1.00 0.00 H new ATOM 0 HG SER A 55 43.324 33.388 30.538 1.00 0.00 H new ATOM 672 N ASP A 56 41.606 34.623 26.185 1.00 0.00 N ATOM 673 CA ASP A 56 41.321 35.284 24.948 1.00 0.00 C ATOM 674 C ASP A 56 40.086 36.107 25.073 1.00 0.00 C ATOM 675 O ASP A 56 40.126 37.334 24.996 1.00 0.00 O ATOM 676 CB ASP A 56 41.233 34.253 23.810 1.00 0.00 C ATOM 677 CG ASP A 56 41.094 34.936 22.458 1.00 0.00 C ATOM 678 OD1 ASP A 56 42.073 35.601 22.022 1.00 0.00 O ATOM 679 OD2 ASP A 56 39.995 34.864 21.847 1.00 0.00 O ATOM 0 H ASP A 56 41.402 33.624 26.163 1.00 0.00 H new ATOM 0 HA ASP A 56 42.133 35.969 24.702 1.00 0.00 H new ATOM 0 HB2 ASP A 56 42.125 33.626 23.814 1.00 0.00 H new ATOM 0 HB3 ASP A 56 40.380 33.595 23.977 1.00 0.00 H new ATOM 684 N GLY A 57 38.926 35.464 25.305 1.00 0.00 N ATOM 685 CA GLY A 57 37.712 36.140 25.643 1.00 0.00 C ATOM 686 C GLY A 57 36.947 36.767 24.530 1.00 0.00 C ATOM 687 O GLY A 57 36.482 37.899 24.648 1.00 0.00 O ATOM 0 H GLY A 57 38.831 34.450 25.256 1.00 0.00 H new ATOM 0 HA2 GLY A 57 37.057 35.427 26.143 1.00 0.00 H new ATOM 0 HA3 GLY A 57 37.950 36.918 26.369 1.00 0.00 H new ATOM 691 N ARG A 58 36.726 36.024 23.430 1.00 0.00 N ATOM 692 CA ARG A 58 35.549 36.118 22.624 1.00 0.00 C ATOM 693 C ARG A 58 34.532 35.243 23.274 1.00 0.00 C ATOM 694 O ARG A 58 33.360 35.592 23.401 1.00 0.00 O ATOM 695 CB ARG A 58 35.804 35.681 21.171 1.00 0.00 C ATOM 696 CG ARG A 58 36.661 36.702 20.419 1.00 0.00 C ATOM 697 CD ARG A 58 37.125 36.297 19.019 1.00 0.00 C ATOM 698 NE ARG A 58 38.069 37.363 18.581 1.00 0.00 N ATOM 699 CZ ARG A 58 38.342 37.696 17.286 1.00 0.00 C ATOM 700 NH1 ARG A 58 37.785 37.039 16.227 1.00 0.00 N ATOM 701 NH2 ARG A 58 39.177 38.745 17.033 1.00 0.00 N ATOM 0 H ARG A 58 37.393 35.332 23.090 1.00 0.00 H new ATOM 0 HA ARG A 58 35.210 37.152 22.563 1.00 0.00 H new ATOM 0 HB2 ARG A 58 36.302 34.711 21.164 1.00 0.00 H new ATOM 0 HB3 ARG A 58 34.852 35.554 20.656 1.00 0.00 H new ATOM 0 HG2 ARG A 58 36.095 37.630 20.337 1.00 0.00 H new ATOM 0 HG3 ARG A 58 37.543 36.919 21.022 1.00 0.00 H new ATOM 0 HD2 ARG A 58 37.615 35.323 19.036 1.00 0.00 H new ATOM 0 HD3 ARG A 58 36.280 36.217 18.335 1.00 0.00 H new ATOM 0 HE ARG A 58 38.552 37.888 19.310 1.00 0.00 H new ATOM 0 HH11 ARG A 58 37.138 36.267 16.389 1.00 0.00 H new ATOM 0 HH12 ARG A 58 38.016 37.320 15.274 1.00 0.00 H new ATOM 0 HH21 ARG A 58 39.588 39.268 17.806 1.00 0.00 H new ATOM 0 HH22 ARG A 58 39.391 39.006 16.070 1.00 0.00 H new ATOM 715 N ILE A 59 34.984 34.076 23.767 1.00 0.00 N ATOM 716 CA ILE A 59 34.215 33.111 24.491 1.00 0.00 C ATOM 717 C ILE A 59 34.121 33.462 25.935 1.00 0.00 C ATOM 718 O ILE A 59 35.128 33.562 26.634 1.00 0.00 O ATOM 719 CB ILE A 59 34.847 31.755 24.371 1.00 0.00 C ATOM 720 CG1 ILE A 59 35.073 31.392 22.894 1.00 0.00 C ATOM 721 CG2 ILE A 59 33.980 30.694 25.070 1.00 0.00 C ATOM 722 CD1 ILE A 59 35.917 30.137 22.676 1.00 0.00 C ATOM 0 H ILE A 59 35.955 33.787 23.651 1.00 0.00 H new ATOM 0 HA ILE A 59 33.213 33.103 24.062 1.00 0.00 H new ATOM 0 HB ILE A 59 35.818 31.781 24.865 1.00 0.00 H new ATOM 0 HG12 ILE A 59 34.104 31.252 22.414 1.00 0.00 H new ATOM 0 HG13 ILE A 59 35.557 32.232 22.396 1.00 0.00 H new ATOM 0 HG21 ILE A 59 34.453 29.717 24.973 1.00 0.00 H new ATOM 0 HG22 ILE A 59 33.878 30.945 26.126 1.00 0.00 H new ATOM 0 HG23 ILE A 59 32.994 30.667 24.607 1.00 0.00 H new ATOM 0 HD11 ILE A 59 36.027 29.954 21.607 1.00 0.00 H new ATOM 0 HD12 ILE A 59 36.901 30.278 23.123 1.00 0.00 H new ATOM 0 HD13 ILE A 59 35.426 29.283 23.142 1.00 0.00 H new ATOM 734 N HIS A 60 32.892 33.634 26.452 1.00 0.00 N ATOM 735 CA HIS A 60 32.630 33.773 27.851 1.00 0.00 C ATOM 736 C HIS A 60 31.686 32.726 28.334 1.00 0.00 C ATOM 737 O HIS A 60 31.092 31.955 27.582 1.00 0.00 O ATOM 738 CB HIS A 60 32.053 35.161 28.175 1.00 0.00 C ATOM 739 CG HIS A 60 32.987 36.299 27.891 1.00 0.00 C ATOM 740 ND1 HIS A 60 34.329 36.319 28.214 1.00 0.00 N ATOM 741 CD2 HIS A 60 32.715 37.528 27.376 1.00 0.00 C ATOM 742 CE1 HIS A 60 34.800 37.549 27.880 1.00 0.00 C ATOM 743 NE2 HIS A 60 33.850 38.314 27.376 1.00 0.00 N ATOM 0 H HIS A 60 32.051 33.678 25.876 1.00 0.00 H new ATOM 0 HA HIS A 60 33.585 33.654 28.364 1.00 0.00 H new ATOM 0 HB2 HIS A 60 31.138 35.305 27.600 1.00 0.00 H new ATOM 0 HB3 HIS A 60 31.775 35.189 29.228 1.00 0.00 H new ATOM 0 HD2 HIS A 60 31.747 37.845 27.017 1.00 0.00 H new ATOM 0 HE1 HIS A 60 35.825 37.862 28.011 1.00 0.00 H new ATOM 0 HE2 HIS A 60 33.936 39.278 27.055 1.00 0.00 H new ATOM 751 N LYS A 61 31.505 32.658 29.665 1.00 0.00 N ATOM 752 CA LYS A 61 30.574 31.794 30.321 1.00 0.00 C ATOM 753 C LYS A 61 29.166 32.060 29.912 1.00 0.00 C ATOM 754 O LYS A 61 28.696 33.196 29.924 1.00 0.00 O ATOM 755 CB LYS A 61 30.753 31.949 31.841 1.00 0.00 C ATOM 756 CG LYS A 61 29.770 31.193 32.737 1.00 0.00 C ATOM 757 CD LYS A 61 30.054 31.468 34.215 1.00 0.00 C ATOM 758 CE LYS A 61 28.870 31.119 35.120 1.00 0.00 C ATOM 759 NZ LYS A 61 29.140 31.521 36.519 1.00 0.00 N ATOM 0 H LYS A 61 32.036 33.236 30.317 1.00 0.00 H new ATOM 0 HA LYS A 61 30.780 30.766 30.025 1.00 0.00 H new ATOM 0 HB2 LYS A 61 31.762 31.627 32.098 1.00 0.00 H new ATOM 0 HB3 LYS A 61 30.686 33.010 32.084 1.00 0.00 H new ATOM 0 HG2 LYS A 61 28.750 31.492 32.497 1.00 0.00 H new ATOM 0 HG3 LYS A 61 29.843 30.123 32.542 1.00 0.00 H new ATOM 0 HD2 LYS A 61 30.926 30.892 34.526 1.00 0.00 H new ATOM 0 HD3 LYS A 61 30.305 32.521 34.342 1.00 0.00 H new ATOM 0 HE2 LYS A 61 27.971 31.620 34.760 1.00 0.00 H new ATOM 0 HE3 LYS A 61 28.677 30.047 35.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 28.324 31.275 37.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 29.985 31.024 36.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 29.301 32.548 36.560 1.00 0.00 H new ATOM 773 N GLY A 62 28.444 31.008 29.488 1.00 0.00 N ATOM 774 CA GLY A 62 27.094 31.109 29.028 1.00 0.00 C ATOM 775 C GLY A 62 26.925 31.316 27.562 1.00 0.00 C ATOM 776 O GLY A 62 25.796 31.412 27.085 1.00 0.00 O ATOM 0 H GLY A 62 28.811 30.057 29.464 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.564 30.200 29.311 1.00 0.00 H new ATOM 0 HA3 GLY A 62 26.612 31.935 29.551 1.00 0.00 H new ATOM 780 N ASP A 63 28.007 31.377 26.766 1.00 0.00 N ATOM 781 CA ASP A 63 27.883 31.621 25.363 1.00 0.00 C ATOM 782 C ASP A 63 27.557 30.386 24.596 1.00 0.00 C ATOM 783 O ASP A 63 27.894 29.273 24.996 1.00 0.00 O ATOM 784 CB ASP A 63 29.162 32.267 24.805 1.00 0.00 C ATOM 785 CG ASP A 63 29.307 33.715 25.254 1.00 0.00 C ATOM 786 OD1 ASP A 63 28.299 34.379 25.616 1.00 0.00 O ATOM 787 OD2 ASP A 63 30.459 34.223 25.212 1.00 0.00 O ATOM 0 H ASP A 63 28.966 31.258 27.093 1.00 0.00 H new ATOM 0 HA ASP A 63 27.049 32.312 25.239 1.00 0.00 H new ATOM 0 HB2 ASP A 63 30.031 31.696 25.133 1.00 0.00 H new ATOM 0 HB3 ASP A 63 29.145 32.224 23.716 1.00 0.00 H new ATOM 792 N ARG A 64 26.837 30.508 23.466 1.00 0.00 N ATOM 793 CA ARG A 64 26.415 29.404 22.660 1.00 0.00 C ATOM 794 C ARG A 64 27.391 29.036 21.597 1.00 0.00 C ATOM 795 O ARG A 64 27.804 29.875 20.799 1.00 0.00 O ATOM 796 CB ARG A 64 25.077 29.679 21.953 1.00 0.00 C ATOM 797 CG ARG A 64 24.471 28.421 21.327 1.00 0.00 C ATOM 798 CD ARG A 64 23.203 28.649 20.502 1.00 0.00 C ATOM 799 NE ARG A 64 22.860 27.310 19.948 1.00 0.00 N ATOM 800 CZ ARG A 64 21.735 27.037 19.224 1.00 0.00 C ATOM 801 NH1 ARG A 64 20.897 28.028 18.800 1.00 0.00 N ATOM 802 NH2 ARG A 64 21.467 25.741 18.890 1.00 0.00 N ATOM 0 H ARG A 64 26.537 31.411 23.099 1.00 0.00 H new ATOM 0 HA ARG A 64 26.321 28.584 23.371 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.372 30.099 22.670 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.228 30.429 21.177 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.221 27.955 20.689 1.00 0.00 H new ATOM 0 HG3 ARG A 64 24.245 27.712 22.123 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.395 29.040 21.120 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.375 29.374 19.706 1.00 0.00 H new ATOM 0 HE ARG A 64 23.511 26.544 20.121 1.00 0.00 H new ATOM 0 HH11 ARG A 64 21.105 29.001 19.023 1.00 0.00 H new ATOM 0 HH12 ARG A 64 20.063 27.795 18.260 1.00 0.00 H new ATOM 0 HH21 ARG A 64 22.102 24.998 19.181 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.632 25.516 18.350 1.00 0.00 H new ATOM 816 N VAL A 65 27.777 27.750 21.526 1.00 0.00 N ATOM 817 CA VAL A 65 28.659 27.210 20.538 1.00 0.00 C ATOM 818 C VAL A 65 27.916 26.881 19.289 1.00 0.00 C ATOM 819 O VAL A 65 26.858 26.256 19.326 1.00 0.00 O ATOM 820 CB VAL A 65 29.348 25.973 21.032 1.00 0.00 C ATOM 821 CG1 VAL A 65 30.404 25.489 20.024 1.00 0.00 C ATOM 822 CG2 VAL A 65 30.010 26.249 22.392 1.00 0.00 C ATOM 0 H VAL A 65 27.456 27.049 22.194 1.00 0.00 H new ATOM 0 HA VAL A 65 29.409 27.974 20.330 1.00 0.00 H new ATOM 0 HB VAL A 65 28.600 25.189 21.146 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.888 24.591 20.407 1.00 0.00 H new ATOM 0 HG12 VAL A 65 29.922 25.264 19.072 1.00 0.00 H new ATOM 0 HG13 VAL A 65 31.151 26.269 19.877 1.00 0.00 H new ATOM 0 HG21 VAL A 65 30.508 25.346 22.744 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.742 27.049 22.284 1.00 0.00 H new ATOM 0 HG23 VAL A 65 29.249 26.548 23.113 1.00 0.00 H new ATOM 832 N LEU A 66 28.442 27.288 18.121 1.00 0.00 N ATOM 833 CA LEU A 66 27.835 27.060 16.846 1.00 0.00 C ATOM 834 C LEU A 66 28.559 26.016 16.068 1.00 0.00 C ATOM 835 O LEU A 66 27.953 25.068 15.572 1.00 0.00 O ATOM 836 CB LEU A 66 27.757 28.374 16.051 1.00 0.00 C ATOM 837 CG LEU A 66 26.444 29.157 16.219 1.00 0.00 C ATOM 838 CD1 LEU A 66 26.043 29.423 17.680 1.00 0.00 C ATOM 839 CD2 LEU A 66 26.526 30.490 15.456 1.00 0.00 C ATOM 0 H LEU A 66 29.325 27.796 18.062 1.00 0.00 H new ATOM 0 HA LEU A 66 26.824 26.692 17.020 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.586 29.014 16.354 1.00 0.00 H new ATOM 0 HB3 LEU A 66 27.897 28.150 14.993 1.00 0.00 H new ATOM 0 HG LEU A 66 25.665 28.518 15.804 1.00 0.00 H new ATOM 0 HD11 LEU A 66 25.106 29.980 17.705 1.00 0.00 H new ATOM 0 HD12 LEU A 66 25.915 28.474 18.201 1.00 0.00 H new ATOM 0 HD13 LEU A 66 26.823 30.004 18.171 1.00 0.00 H new ATOM 0 HD21 LEU A 66 25.592 31.038 15.580 1.00 0.00 H new ATOM 0 HD22 LEU A 66 27.351 31.084 15.849 1.00 0.00 H new ATOM 0 HD23 LEU A 66 26.693 30.293 14.397 1.00 0.00 H new ATOM 851 N ALA A 67 29.889 26.130 15.898 1.00 0.00 N ATOM 852 CA ALA A 67 30.599 25.198 15.078 1.00 0.00 C ATOM 853 C ALA A 67 32.014 25.017 15.503 1.00 0.00 C ATOM 854 O ALA A 67 32.697 25.968 15.879 1.00 0.00 O ATOM 855 CB ALA A 67 30.580 25.641 13.605 1.00 0.00 C ATOM 0 H ALA A 67 30.466 26.857 16.322 1.00 0.00 H new ATOM 0 HA ALA A 67 30.084 24.244 15.193 1.00 0.00 H new ATOM 0 HB1 ALA A 67 31.126 24.917 13.000 1.00 0.00 H new ATOM 0 HB2 ALA A 67 29.549 25.701 13.256 1.00 0.00 H new ATOM 0 HB3 ALA A 67 31.051 26.619 13.513 1.00 0.00 H new ATOM 861 N VAL A 68 32.514 23.769 15.436 1.00 0.00 N ATOM 862 CA VAL A 68 33.865 23.423 15.753 1.00 0.00 C ATOM 863 C VAL A 68 34.543 22.937 14.518 1.00 0.00 C ATOM 864 O VAL A 68 34.115 21.952 13.920 1.00 0.00 O ATOM 865 CB VAL A 68 33.968 22.345 16.791 1.00 0.00 C ATOM 866 CG1 VAL A 68 35.435 22.135 17.201 1.00 0.00 C ATOM 867 CG2 VAL A 68 33.116 22.651 18.034 1.00 0.00 C ATOM 0 H VAL A 68 31.952 22.968 15.149 1.00 0.00 H new ATOM 0 HA VAL A 68 34.336 24.321 16.154 1.00 0.00 H new ATOM 0 HB VAL A 68 33.580 21.430 16.343 1.00 0.00 H new ATOM 0 HG11 VAL A 68 35.493 21.350 17.955 1.00 0.00 H new ATOM 0 HG12 VAL A 68 36.019 21.844 16.328 1.00 0.00 H new ATOM 0 HG13 VAL A 68 35.834 23.062 17.612 1.00 0.00 H new ATOM 0 HG21 VAL A 68 33.223 21.842 18.757 1.00 0.00 H new ATOM 0 HG22 VAL A 68 33.451 23.586 18.483 1.00 0.00 H new ATOM 0 HG23 VAL A 68 32.069 22.742 17.744 1.00 0.00 H new ATOM 877 N ASN A 69 35.632 23.586 14.071 1.00 0.00 N ATOM 878 CA ASN A 69 36.513 23.135 13.038 1.00 0.00 C ATOM 879 C ASN A 69 35.961 23.251 11.659 1.00 0.00 C ATOM 880 O ASN A 69 36.463 22.636 10.719 1.00 0.00 O ATOM 881 CB ASN A 69 37.047 21.722 13.323 1.00 0.00 C ATOM 882 CG ASN A 69 38.436 21.462 12.756 1.00 0.00 C ATOM 883 OD1 ASN A 69 38.649 20.644 11.863 1.00 0.00 O ATOM 884 ND2 ASN A 69 39.445 22.164 13.339 1.00 0.00 N ATOM 0 H ASN A 69 35.916 24.486 14.457 1.00 0.00 H new ATOM 0 HA ASN A 69 37.354 23.828 13.062 1.00 0.00 H new ATOM 0 HB2 ASN A 69 37.070 21.563 14.401 1.00 0.00 H new ATOM 0 HB3 ASN A 69 36.353 20.991 12.908 1.00 0.00 H new ATOM 0 HD21 ASN A 69 40.408 22.018 13.037 1.00 0.00 H new ATOM 0 HD22 ASN A 69 39.238 22.836 14.078 1.00 0.00 H new ATOM 891 N GLY A 70 34.893 24.044 11.466 1.00 0.00 N ATOM 892 CA GLY A 70 34.150 24.085 10.246 1.00 0.00 C ATOM 893 C GLY A 70 33.034 23.099 10.218 1.00 0.00 C ATOM 894 O GLY A 70 32.277 23.023 9.252 1.00 0.00 O ATOM 0 H GLY A 70 34.535 24.677 12.182 1.00 0.00 H new ATOM 0 HA2 GLY A 70 33.747 25.088 10.105 1.00 0.00 H new ATOM 0 HA3 GLY A 70 34.822 23.891 9.410 1.00 0.00 H new ATOM 898 N VAL A 71 32.883 22.297 11.288 1.00 0.00 N ATOM 899 CA VAL A 71 31.836 21.340 11.463 1.00 0.00 C ATOM 900 C VAL A 71 30.785 21.955 12.322 1.00 0.00 C ATOM 901 O VAL A 71 31.020 22.296 13.480 1.00 0.00 O ATOM 902 CB VAL A 71 32.303 20.043 12.054 1.00 0.00 C ATOM 903 CG1 VAL A 71 31.175 19.000 11.975 1.00 0.00 C ATOM 904 CG2 VAL A 71 33.545 19.537 11.301 1.00 0.00 C ATOM 0 H VAL A 71 33.530 22.319 12.076 1.00 0.00 H new ATOM 0 HA VAL A 71 31.443 21.087 10.478 1.00 0.00 H new ATOM 0 HB VAL A 71 32.568 20.202 13.099 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.518 18.059 12.405 1.00 0.00 H new ATOM 0 HG12 VAL A 71 30.309 19.358 12.531 1.00 0.00 H new ATOM 0 HG13 VAL A 71 30.898 18.842 10.933 1.00 0.00 H new ATOM 0 HG21 VAL A 71 33.876 18.595 11.738 1.00 0.00 H new ATOM 0 HG22 VAL A 71 33.296 19.383 10.251 1.00 0.00 H new ATOM 0 HG23 VAL A 71 34.344 20.274 11.380 1.00 0.00 H new ATOM 914 N SER A 72 29.559 22.132 11.798 1.00 0.00 N ATOM 915 CA SER A 72 28.481 22.677 12.563 1.00 0.00 C ATOM 916 C SER A 72 27.991 21.651 13.526 1.00 0.00 C ATOM 917 O SER A 72 27.658 20.533 13.133 1.00 0.00 O ATOM 918 CB SER A 72 27.296 23.149 11.705 1.00 0.00 C ATOM 919 OG SER A 72 26.391 23.932 12.471 1.00 0.00 O ATOM 0 H SER A 72 29.313 21.895 10.837 1.00 0.00 H new ATOM 0 HA SER A 72 28.878 23.553 13.076 1.00 0.00 H new ATOM 0 HB2 SER A 72 27.664 23.733 10.861 1.00 0.00 H new ATOM 0 HB3 SER A 72 26.775 22.285 11.292 1.00 0.00 H new ATOM 0 HG SER A 72 25.585 24.111 11.943 1.00 0.00 H new ATOM 925 N LEU A 73 27.929 21.968 14.832 1.00 0.00 N ATOM 926 CA LEU A 73 27.542 20.995 15.806 1.00 0.00 C ATOM 927 C LEU A 73 26.076 21.021 16.076 1.00 0.00 C ATOM 928 O LEU A 73 25.592 20.846 17.192 1.00 0.00 O ATOM 929 CB LEU A 73 28.442 20.919 17.050 1.00 0.00 C ATOM 930 CG LEU A 73 28.837 22.220 17.771 1.00 0.00 C ATOM 931 CD1 LEU A 73 27.643 23.049 18.274 1.00 0.00 C ATOM 932 CD2 LEU A 73 29.748 21.835 18.949 1.00 0.00 C ATOM 0 H LEU A 73 28.145 22.890 15.211 1.00 0.00 H new ATOM 0 HA LEU A 73 27.732 20.026 15.344 1.00 0.00 H new ATOM 0 HB2 LEU A 73 27.943 20.279 17.778 1.00 0.00 H new ATOM 0 HB3 LEU A 73 29.362 20.413 16.759 1.00 0.00 H new ATOM 0 HG LEU A 73 29.345 22.862 17.051 1.00 0.00 H new ATOM 0 HD11 LEU A 73 28.008 23.949 18.770 1.00 0.00 H new ATOM 0 HD12 LEU A 73 27.014 23.330 17.430 1.00 0.00 H new ATOM 0 HD13 LEU A 73 27.060 22.457 18.980 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.049 22.735 19.485 1.00 0.00 H new ATOM 0 HD22 LEU A 73 29.208 21.173 19.626 1.00 0.00 H new ATOM 0 HD23 LEU A 73 30.634 21.324 18.572 1.00 0.00 H new ATOM 944 N GLU A 74 25.273 21.211 15.014 1.00 0.00 N ATOM 945 CA GLU A 74 23.844 21.198 15.053 1.00 0.00 C ATOM 946 C GLU A 74 23.331 19.802 15.148 1.00 0.00 C ATOM 947 O GLU A 74 23.633 18.931 14.334 1.00 0.00 O ATOM 948 CB GLU A 74 23.245 21.958 13.857 1.00 0.00 C ATOM 949 CG GLU A 74 23.440 23.468 14.009 1.00 0.00 C ATOM 950 CD GLU A 74 23.080 24.255 12.756 1.00 0.00 C ATOM 951 OE1 GLU A 74 23.815 24.144 11.738 1.00 0.00 O ATOM 952 OE2 GLU A 74 22.090 25.032 12.791 1.00 0.00 O ATOM 0 H GLU A 74 25.641 21.383 14.078 1.00 0.00 H new ATOM 0 HA GLU A 74 23.521 21.724 15.952 1.00 0.00 H new ATOM 0 HB2 GLU A 74 23.716 21.619 12.934 1.00 0.00 H new ATOM 0 HB3 GLU A 74 22.182 21.732 13.774 1.00 0.00 H new ATOM 0 HG2 GLU A 74 22.830 23.823 14.840 1.00 0.00 H new ATOM 0 HG3 GLU A 74 24.480 23.668 14.268 1.00 0.00 H new ATOM 959 N GLY A 75 22.566 19.536 16.222 1.00 0.00 N ATOM 960 CA GLY A 75 22.097 18.235 16.587 1.00 0.00 C ATOM 961 C GLY A 75 23.104 17.419 17.323 1.00 0.00 C ATOM 962 O GLY A 75 22.984 16.197 17.391 1.00 0.00 O ATOM 0 H GLY A 75 22.260 20.264 16.867 1.00 0.00 H new ATOM 0 HA2 GLY A 75 21.206 18.340 17.206 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.798 17.700 15.685 1.00 0.00 H new ATOM 966 N ALA A 76 24.151 18.050 17.882 1.00 0.00 N ATOM 967 CA ALA A 76 25.091 17.431 18.763 1.00 0.00 C ATOM 968 C ALA A 76 24.570 17.124 20.125 1.00 0.00 C ATOM 969 O ALA A 76 23.661 17.759 20.658 1.00 0.00 O ATOM 970 CB ALA A 76 26.370 18.276 18.891 1.00 0.00 C ATOM 0 H ALA A 76 24.351 19.036 17.712 1.00 0.00 H new ATOM 0 HA ALA A 76 25.308 16.472 18.293 1.00 0.00 H new ATOM 0 HB1 ALA A 76 27.067 17.781 19.567 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.833 18.387 17.910 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.118 19.260 19.286 1.00 0.00 H new ATOM 976 N THR A 77 25.170 16.115 20.782 1.00 0.00 N ATOM 977 CA THR A 77 24.924 15.802 22.155 1.00 0.00 C ATOM 978 C THR A 77 25.885 16.515 23.043 1.00 0.00 C ATOM 979 O THR A 77 26.849 17.131 22.589 1.00 0.00 O ATOM 980 CB THR A 77 24.979 14.334 22.457 1.00 0.00 C ATOM 981 OG1 THR A 77 26.257 13.773 22.195 1.00 0.00 O ATOM 982 CG2 THR A 77 23.964 13.606 21.559 1.00 0.00 C ATOM 0 H THR A 77 25.850 15.496 20.341 1.00 0.00 H new ATOM 0 HA THR A 77 23.905 16.138 22.350 1.00 0.00 H new ATOM 0 HB THR A 77 24.757 14.213 23.517 1.00 0.00 H new ATOM 0 HG1 THR A 77 26.244 12.817 22.408 1.00 0.00 H new ATOM 0 HG21 THR A 77 23.994 12.537 21.769 1.00 0.00 H new ATOM 0 HG22 THR A 77 22.963 13.987 21.759 1.00 0.00 H new ATOM 0 HG23 THR A 77 24.215 13.778 20.512 1.00 0.00 H new ATOM 990 N HIS A 78 25.671 16.406 24.366 1.00 0.00 N ATOM 991 CA HIS A 78 26.573 16.791 25.407 1.00 0.00 C ATOM 992 C HIS A 78 27.932 16.211 25.224 1.00 0.00 C ATOM 993 O HIS A 78 28.936 16.922 25.222 1.00 0.00 O ATOM 994 CB HIS A 78 26.005 16.307 26.751 1.00 0.00 C ATOM 995 CG HIS A 78 26.782 16.660 27.985 1.00 0.00 C ATOM 996 ND1 HIS A 78 26.556 16.046 29.200 1.00 0.00 N ATOM 997 CD2 HIS A 78 27.735 17.601 28.221 1.00 0.00 C ATOM 998 CE1 HIS A 78 27.386 16.630 30.105 1.00 0.00 C ATOM 999 NE2 HIS A 78 28.116 17.578 29.546 1.00 0.00 N ATOM 0 H HIS A 78 24.802 16.020 24.735 1.00 0.00 H new ATOM 0 HA HIS A 78 26.670 17.876 25.381 1.00 0.00 H new ATOM 0 HB2 HIS A 78 24.998 16.710 26.858 1.00 0.00 H new ATOM 0 HB3 HIS A 78 25.911 15.222 26.708 1.00 0.00 H new ATOM 0 HD2 HIS A 78 28.137 18.272 27.476 1.00 0.00 H new ATOM 0 HE1 HIS A 78 27.441 16.354 31.148 1.00 0.00 H new ATOM 0 HE2 HIS A 78 28.814 18.168 29.999 1.00 0.00 H new ATOM 1007 N LYS A 79 27.994 14.881 25.032 1.00 0.00 N ATOM 1008 CA LYS A 79 29.173 14.145 24.695 1.00 0.00 C ATOM 1009 C LYS A 79 29.852 14.565 23.438 1.00 0.00 C ATOM 1010 O LYS A 79 31.051 14.835 23.436 1.00 0.00 O ATOM 1011 CB LYS A 79 28.853 12.643 24.620 1.00 0.00 C ATOM 1012 CG LYS A 79 29.963 11.741 25.167 1.00 0.00 C ATOM 1013 CD LYS A 79 29.759 11.335 26.628 1.00 0.00 C ATOM 1014 CE LYS A 79 29.976 12.421 27.684 1.00 0.00 C ATOM 1015 NZ LYS A 79 29.790 11.838 29.032 1.00 0.00 N ATOM 0 H LYS A 79 27.171 14.284 25.117 1.00 0.00 H new ATOM 0 HA LYS A 79 29.877 14.365 25.498 1.00 0.00 H new ATOM 0 HB2 LYS A 79 27.935 12.449 25.175 1.00 0.00 H new ATOM 0 HB3 LYS A 79 28.660 12.375 23.581 1.00 0.00 H new ATOM 0 HG2 LYS A 79 30.024 10.842 24.554 1.00 0.00 H new ATOM 0 HG3 LYS A 79 30.919 12.257 25.072 1.00 0.00 H new ATOM 0 HD2 LYS A 79 28.743 10.955 26.736 1.00 0.00 H new ATOM 0 HD3 LYS A 79 30.434 10.508 26.848 1.00 0.00 H new ATOM 0 HE2 LYS A 79 30.978 12.839 27.591 1.00 0.00 H new ATOM 0 HE3 LYS A 79 29.273 13.240 27.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 29.937 12.574 29.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 28.825 11.459 29.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 30.477 11.071 29.176 1.00 0.00 H new ATOM 1029 N GLN A 80 29.132 14.630 22.303 1.00 0.00 N ATOM 1030 CA GLN A 80 29.681 14.820 20.997 1.00 0.00 C ATOM 1031 C GLN A 80 30.435 16.092 20.809 1.00 0.00 C ATOM 1032 O GLN A 80 31.536 16.101 20.261 1.00 0.00 O ATOM 1033 CB GLN A 80 28.509 14.675 20.011 1.00 0.00 C ATOM 1034 CG GLN A 80 28.944 14.862 18.556 1.00 0.00 C ATOM 1035 CD GLN A 80 27.992 14.222 17.557 1.00 0.00 C ATOM 1036 OE1 GLN A 80 27.222 14.880 16.858 1.00 0.00 O ATOM 1037 NE2 GLN A 80 28.049 12.864 17.490 1.00 0.00 N ATOM 0 H GLN A 80 28.116 14.546 22.297 1.00 0.00 H new ATOM 0 HA GLN A 80 30.450 14.068 20.821 1.00 0.00 H new ATOM 0 HB2 GLN A 80 28.059 13.689 20.129 1.00 0.00 H new ATOM 0 HB3 GLN A 80 27.740 15.408 20.255 1.00 0.00 H new ATOM 0 HG2 GLN A 80 29.022 15.928 18.341 1.00 0.00 H new ATOM 0 HG3 GLN A 80 29.939 14.436 18.424 1.00 0.00 H new ATOM 0 HE21 GLN A 80 28.700 12.351 18.085 1.00 0.00 H new ATOM 0 HE22 GLN A 80 27.441 12.359 16.845 1.00 0.00 H new ATOM 1046 N ALA A 81 29.912 17.219 21.326 1.00 0.00 N ATOM 1047 CA ALA A 81 30.575 18.484 21.382 1.00 0.00 C ATOM 1048 C ALA A 81 31.843 18.474 22.165 1.00 0.00 C ATOM 1049 O ALA A 81 32.768 19.226 21.857 1.00 0.00 O ATOM 1050 CB ALA A 81 29.584 19.467 22.027 1.00 0.00 C ATOM 0 H ALA A 81 28.974 17.248 21.727 1.00 0.00 H new ATOM 0 HA ALA A 81 30.863 18.766 20.369 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.042 20.454 22.094 1.00 0.00 H new ATOM 0 HB2 ALA A 81 28.682 19.526 21.418 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.324 19.119 23.027 1.00 0.00 H new ATOM 1056 N VAL A 82 31.956 17.604 23.183 1.00 0.00 N ATOM 1057 CA VAL A 82 33.140 17.398 23.960 1.00 0.00 C ATOM 1058 C VAL A 82 34.113 16.522 23.250 1.00 0.00 C ATOM 1059 O VAL A 82 35.302 16.828 23.188 1.00 0.00 O ATOM 1060 CB VAL A 82 32.839 16.844 25.322 1.00 0.00 C ATOM 1061 CG1 VAL A 82 34.133 16.620 26.122 1.00 0.00 C ATOM 1062 CG2 VAL A 82 31.954 17.851 26.076 1.00 0.00 C ATOM 0 H VAL A 82 31.180 17.012 23.481 1.00 0.00 H new ATOM 0 HA VAL A 82 33.592 18.380 24.095 1.00 0.00 H new ATOM 0 HB VAL A 82 32.330 15.887 25.210 1.00 0.00 H new ATOM 0 HG11 VAL A 82 33.888 16.218 27.105 1.00 0.00 H new ATOM 0 HG12 VAL A 82 34.772 15.915 25.591 1.00 0.00 H new ATOM 0 HG13 VAL A 82 34.658 17.568 26.238 1.00 0.00 H new ATOM 0 HG21 VAL A 82 31.726 17.463 27.069 1.00 0.00 H new ATOM 0 HG22 VAL A 82 32.482 18.800 26.170 1.00 0.00 H new ATOM 0 HG23 VAL A 82 31.026 18.004 25.525 1.00 0.00 H new ATOM 1072 N GLU A 83 33.664 15.412 22.636 1.00 0.00 N ATOM 1073 CA GLU A 83 34.464 14.545 21.829 1.00 0.00 C ATOM 1074 C GLU A 83 35.094 15.249 20.677 1.00 0.00 C ATOM 1075 O GLU A 83 36.240 14.999 20.307 1.00 0.00 O ATOM 1076 CB GLU A 83 33.670 13.344 21.289 1.00 0.00 C ATOM 1077 CG GLU A 83 33.142 12.382 22.356 1.00 0.00 C ATOM 1078 CD GLU A 83 32.421 11.186 21.752 1.00 0.00 C ATOM 1079 OE1 GLU A 83 31.578 11.367 20.832 1.00 0.00 O ATOM 1080 OE2 GLU A 83 32.691 10.037 22.192 1.00 0.00 O ATOM 0 H GLU A 83 32.694 15.105 22.707 1.00 0.00 H new ATOM 0 HA GLU A 83 35.246 14.188 22.499 1.00 0.00 H new ATOM 0 HB2 GLU A 83 32.826 13.717 20.709 1.00 0.00 H new ATOM 0 HB3 GLU A 83 34.307 12.786 20.602 1.00 0.00 H new ATOM 0 HG2 GLU A 83 33.973 12.031 22.968 1.00 0.00 H new ATOM 0 HG3 GLU A 83 32.461 12.917 23.019 1.00 0.00 H new ATOM 1087 N THR A 84 34.358 16.200 20.075 1.00 0.00 N ATOM 1088 CA THR A 84 34.786 17.109 19.056 1.00 0.00 C ATOM 1089 C THR A 84 35.818 18.079 19.519 1.00 0.00 C ATOM 1090 O THR A 84 36.792 18.330 18.809 1.00 0.00 O ATOM 1091 CB THR A 84 33.595 17.786 18.447 1.00 0.00 C ATOM 1092 OG1 THR A 84 32.846 16.836 17.704 1.00 0.00 O ATOM 1093 CG2 THR A 84 33.922 18.914 17.453 1.00 0.00 C ATOM 0 H THR A 84 33.379 16.344 20.324 1.00 0.00 H new ATOM 0 HA THR A 84 35.287 16.524 18.285 1.00 0.00 H new ATOM 0 HB THR A 84 33.062 18.217 19.295 1.00 0.00 H new ATOM 0 HG1 THR A 84 32.229 16.365 18.303 1.00 0.00 H new ATOM 0 HG21 THR A 84 32.995 19.340 17.068 1.00 0.00 H new ATOM 0 HG22 THR A 84 34.495 19.690 17.959 1.00 0.00 H new ATOM 0 HG23 THR A 84 34.507 18.512 16.626 1.00 0.00 H new ATOM 1101 N LEU A 85 35.699 18.643 20.734 1.00 0.00 N ATOM 1102 CA LEU A 85 36.671 19.508 21.326 1.00 0.00 C ATOM 1103 C LEU A 85 37.930 18.840 21.761 1.00 0.00 C ATOM 1104 O LEU A 85 39.022 19.387 21.619 1.00 0.00 O ATOM 1105 CB LEU A 85 36.121 20.231 22.567 1.00 0.00 C ATOM 1106 CG LEU A 85 35.242 21.456 22.262 1.00 0.00 C ATOM 1107 CD1 LEU A 85 34.651 21.980 23.582 1.00 0.00 C ATOM 1108 CD2 LEU A 85 36.030 22.567 21.547 1.00 0.00 C ATOM 0 H LEU A 85 34.887 18.488 21.331 1.00 0.00 H new ATOM 0 HA LEU A 85 36.899 20.199 20.515 1.00 0.00 H new ATOM 0 HB2 LEU A 85 35.540 19.522 23.156 1.00 0.00 H new ATOM 0 HB3 LEU A 85 36.960 20.548 23.187 1.00 0.00 H new ATOM 0 HG LEU A 85 34.443 21.152 21.586 1.00 0.00 H new ATOM 0 HD11 LEU A 85 34.025 22.849 23.381 1.00 0.00 H new ATOM 0 HD12 LEU A 85 34.049 21.199 24.046 1.00 0.00 H new ATOM 0 HD13 LEU A 85 35.460 22.263 24.256 1.00 0.00 H new ATOM 0 HD21 LEU A 85 35.371 23.412 21.351 1.00 0.00 H new ATOM 0 HD22 LEU A 85 36.857 22.891 22.179 1.00 0.00 H new ATOM 0 HD23 LEU A 85 36.422 22.186 20.604 1.00 0.00 H new ATOM 1120 N ARG A 86 37.865 17.631 22.347 1.00 0.00 N ATOM 1121 CA ARG A 86 39.029 16.908 22.757 1.00 0.00 C ATOM 1122 C ARG A 86 39.796 16.362 21.602 1.00 0.00 C ATOM 1123 O ARG A 86 40.984 16.065 21.714 1.00 0.00 O ATOM 1124 CB ARG A 86 38.694 15.837 23.808 1.00 0.00 C ATOM 1125 CG ARG A 86 38.215 16.453 25.125 1.00 0.00 C ATOM 1126 CD ARG A 86 37.944 15.458 26.255 1.00 0.00 C ATOM 1127 NE ARG A 86 39.244 14.986 26.810 1.00 0.00 N ATOM 1128 CZ ARG A 86 39.333 14.117 27.858 1.00 0.00 C ATOM 1129 NH1 ARG A 86 38.225 13.567 28.434 1.00 0.00 N ATOM 1130 NH2 ARG A 86 40.554 13.789 28.373 1.00 0.00 N ATOM 0 H ARG A 86 36.988 17.147 22.540 1.00 0.00 H new ATOM 0 HA ARG A 86 39.693 17.624 23.242 1.00 0.00 H new ATOM 0 HB2 ARG A 86 37.922 15.174 23.416 1.00 0.00 H new ATOM 0 HB3 ARG A 86 39.576 15.224 23.994 1.00 0.00 H new ATOM 0 HG2 ARG A 86 38.964 17.168 25.465 1.00 0.00 H new ATOM 0 HG3 ARG A 86 37.301 17.015 24.932 1.00 0.00 H new ATOM 0 HD2 ARG A 86 37.350 15.930 27.038 1.00 0.00 H new ATOM 0 HD3 ARG A 86 37.365 14.613 25.882 1.00 0.00 H new ATOM 0 HE ARG A 86 40.107 15.328 26.387 1.00 0.00 H new ATOM 0 HH11 ARG A 86 37.297 13.803 28.082 1.00 0.00 H new ATOM 0 HH12 ARG A 86 38.325 12.920 29.216 1.00 0.00 H new ATOM 0 HH21 ARG A 86 41.401 14.194 27.974 1.00 0.00 H new ATOM 0 HH22 ARG A 86 40.619 13.139 29.157 1.00 0.00 H new ATOM 1144 N ASN A 87 39.166 16.225 20.421 1.00 0.00 N ATOM 1145 CA ASN A 87 39.807 15.888 19.188 1.00 0.00 C ATOM 1146 C ASN A 87 40.164 17.098 18.395 1.00 0.00 C ATOM 1147 O ASN A 87 39.814 17.232 17.224 1.00 0.00 O ATOM 1148 CB ASN A 87 38.849 14.946 18.439 1.00 0.00 C ATOM 1149 CG ASN A 87 39.507 14.129 17.338 1.00 0.00 C ATOM 1150 OD1 ASN A 87 40.701 14.197 17.052 1.00 0.00 O ATOM 1151 ND2 ASN A 87 38.656 13.306 16.668 1.00 0.00 N ATOM 0 H ASN A 87 38.159 16.356 20.322 1.00 0.00 H new ATOM 0 HA ASN A 87 40.759 15.389 19.368 1.00 0.00 H new ATOM 0 HB2 ASN A 87 38.393 14.265 19.157 1.00 0.00 H new ATOM 0 HB3 ASN A 87 38.043 15.537 18.004 1.00 0.00 H new ATOM 0 HD21 ASN A 87 39.004 12.724 15.906 1.00 0.00 H new ATOM 0 HD22 ASN A 87 37.670 13.271 16.928 1.00 0.00 H new ATOM 1158 N THR A 88 40.892 18.056 18.996 1.00 0.00 N ATOM 1159 CA THR A 88 41.378 19.246 18.368 1.00 0.00 C ATOM 1160 C THR A 88 42.849 19.167 18.146 1.00 0.00 C ATOM 1161 O THR A 88 43.599 18.655 18.974 1.00 0.00 O ATOM 1162 CB THR A 88 41.090 20.509 19.123 1.00 0.00 C ATOM 1163 OG1 THR A 88 41.328 20.384 20.518 1.00 0.00 O ATOM 1164 CG2 THR A 88 39.618 20.907 18.919 1.00 0.00 C ATOM 0 H THR A 88 41.157 17.996 19.979 1.00 0.00 H new ATOM 0 HA THR A 88 40.836 19.297 17.424 1.00 0.00 H new ATOM 0 HB THR A 88 41.766 21.269 18.732 1.00 0.00 H new ATOM 0 HG1 THR A 88 40.563 19.942 20.942 1.00 0.00 H new ATOM 0 HG21 THR A 88 39.410 21.825 19.468 1.00 0.00 H new ATOM 0 HG22 THR A 88 39.428 21.068 17.858 1.00 0.00 H new ATOM 0 HG23 THR A 88 38.971 20.110 19.286 1.00 0.00 H new ATOM 1172 N GLY A 89 43.339 19.713 17.019 1.00 0.00 N ATOM 1173 CA GLY A 89 44.738 19.859 16.758 1.00 0.00 C ATOM 1174 C GLY A 89 45.281 21.092 17.397 1.00 0.00 C ATOM 1175 O GLY A 89 44.731 21.586 18.380 1.00 0.00 O ATOM 0 H GLY A 89 42.745 20.063 16.267 1.00 0.00 H new ATOM 0 HA2 GLY A 89 45.273 18.986 17.133 1.00 0.00 H new ATOM 0 HA3 GLY A 89 44.907 19.899 15.682 1.00 0.00 H new ATOM 1179 N GLN A 90 46.382 21.658 16.872 1.00 0.00 N ATOM 1180 CA GLN A 90 46.986 22.825 17.436 1.00 0.00 C ATOM 1181 C GLN A 90 46.145 24.051 17.337 1.00 0.00 C ATOM 1182 O GLN A 90 45.901 24.735 18.330 1.00 0.00 O ATOM 1183 CB GLN A 90 48.347 23.111 16.779 1.00 0.00 C ATOM 1184 CG GLN A 90 49.160 24.188 17.500 1.00 0.00 C ATOM 1185 CD GLN A 90 50.333 24.639 16.642 1.00 0.00 C ATOM 1186 OE1 GLN A 90 51.342 23.952 16.493 1.00 0.00 O ATOM 1187 NE2 GLN A 90 50.197 25.853 16.045 1.00 0.00 N ATOM 0 H GLN A 90 46.860 21.301 16.045 1.00 0.00 H new ATOM 0 HA GLN A 90 47.108 22.595 18.495 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.927 22.189 16.748 1.00 0.00 H new ATOM 0 HB3 GLN A 90 48.185 23.420 15.746 1.00 0.00 H new ATOM 0 HG2 GLN A 90 48.521 25.041 17.729 1.00 0.00 H new ATOM 0 HG3 GLN A 90 49.526 23.800 18.450 1.00 0.00 H new ATOM 0 HE21 GLN A 90 49.348 26.399 16.188 1.00 0.00 H new ATOM 0 HE22 GLN A 90 50.944 26.217 15.454 1.00 0.00 H new ATOM 1196 N VAL A 91 45.674 24.390 16.123 1.00 0.00 N ATOM 1197 CA VAL A 91 44.821 25.517 15.909 1.00 0.00 C ATOM 1198 C VAL A 91 43.399 25.073 15.906 1.00 0.00 C ATOM 1199 O VAL A 91 42.980 24.162 15.192 1.00 0.00 O ATOM 1200 CB VAL A 91 45.124 26.274 14.651 1.00 0.00 C ATOM 1201 CG1 VAL A 91 44.249 27.533 14.527 1.00 0.00 C ATOM 1202 CG2 VAL A 91 46.606 26.686 14.663 1.00 0.00 C ATOM 0 H VAL A 91 45.891 23.870 15.273 1.00 0.00 H new ATOM 0 HA VAL A 91 45.006 26.208 16.731 1.00 0.00 H new ATOM 0 HB VAL A 91 44.910 25.628 13.799 1.00 0.00 H new ATOM 0 HG11 VAL A 91 44.495 28.058 13.604 1.00 0.00 H new ATOM 0 HG12 VAL A 91 43.198 27.245 14.512 1.00 0.00 H new ATOM 0 HG13 VAL A 91 44.433 28.189 15.377 1.00 0.00 H new ATOM 0 HG21 VAL A 91 46.838 27.238 13.752 1.00 0.00 H new ATOM 0 HG22 VAL A 91 46.801 27.318 15.529 1.00 0.00 H new ATOM 0 HG23 VAL A 91 47.231 25.795 14.716 1.00 0.00 H new ATOM 1212 N VAL A 92 42.597 25.731 16.762 1.00 0.00 N ATOM 1213 CA VAL A 92 41.219 25.465 17.037 1.00 0.00 C ATOM 1214 C VAL A 92 40.415 26.581 16.462 1.00 0.00 C ATOM 1215 O VAL A 92 40.419 27.710 16.948 1.00 0.00 O ATOM 1216 CB VAL A 92 41.008 25.362 18.519 1.00 0.00 C ATOM 1217 CG1 VAL A 92 39.536 25.051 18.838 1.00 0.00 C ATOM 1218 CG2 VAL A 92 41.881 24.200 19.023 1.00 0.00 C ATOM 0 H VAL A 92 42.946 26.518 17.309 1.00 0.00 H new ATOM 0 HA VAL A 92 40.910 24.520 16.590 1.00 0.00 H new ATOM 0 HB VAL A 92 41.272 26.304 18.999 1.00 0.00 H new ATOM 0 HG11 VAL A 92 39.405 24.980 19.918 1.00 0.00 H new ATOM 0 HG12 VAL A 92 38.903 25.847 18.447 1.00 0.00 H new ATOM 0 HG13 VAL A 92 39.256 24.104 18.376 1.00 0.00 H new ATOM 0 HG21 VAL A 92 41.756 24.092 20.100 1.00 0.00 H new ATOM 0 HG22 VAL A 92 41.579 23.277 18.528 1.00 0.00 H new ATOM 0 HG23 VAL A 92 42.927 24.407 18.798 1.00 0.00 H new ATOM 1228 N HIS A 93 39.669 26.293 15.380 1.00 0.00 N ATOM 1229 CA HIS A 93 38.735 27.208 14.802 1.00 0.00 C ATOM 1230 C HIS A 93 37.385 26.949 15.375 1.00 0.00 C ATOM 1231 O HIS A 93 36.812 25.885 15.147 1.00 0.00 O ATOM 1232 CB HIS A 93 38.704 27.086 13.268 1.00 0.00 C ATOM 1233 CG HIS A 93 38.026 28.218 12.555 1.00 0.00 C ATOM 1234 ND1 HIS A 93 37.619 28.145 11.239 1.00 0.00 N ATOM 1235 CD2 HIS A 93 37.783 29.499 12.942 1.00 0.00 C ATOM 1236 CE1 HIS A 93 37.148 29.374 10.893 1.00 0.00 C ATOM 1237 NE2 HIS A 93 37.233 30.220 11.902 1.00 0.00 N ATOM 0 H HIS A 93 39.717 25.398 14.894 1.00 0.00 H new ATOM 0 HA HIS A 93 39.046 28.225 15.038 1.00 0.00 H new ATOM 0 HB2 HIS A 93 39.729 27.009 12.904 1.00 0.00 H new ATOM 0 HB3 HIS A 93 38.201 26.156 13.003 1.00 0.00 H new ATOM 0 HD1 HIS A 93 37.663 27.323 10.637 1.00 0.00 H new ATOM 0 HD2 HIS A 93 37.991 29.896 13.925 1.00 0.00 H new ATOM 0 HE1 HIS A 93 36.755 29.624 9.919 1.00 0.00 H new ATOM 1245 N LEU A 94 36.845 27.875 16.187 1.00 0.00 N ATOM 1246 CA LEU A 94 35.490 27.851 16.644 1.00 0.00 C ATOM 1247 C LEU A 94 34.666 28.935 16.039 1.00 0.00 C ATOM 1248 O LEU A 94 35.171 29.931 15.524 1.00 0.00 O ATOM 1249 CB LEU A 94 35.338 27.936 18.172 1.00 0.00 C ATOM 1250 CG LEU A 94 36.233 26.976 18.973 1.00 0.00 C ATOM 1251 CD1 LEU A 94 36.036 27.160 20.487 1.00 0.00 C ATOM 1252 CD2 LEU A 94 35.955 25.505 18.619 1.00 0.00 C ATOM 0 H LEU A 94 37.374 28.673 16.540 1.00 0.00 H new ATOM 0 HA LEU A 94 35.129 26.876 16.317 1.00 0.00 H new ATOM 0 HB2 LEU A 94 35.555 28.957 18.486 1.00 0.00 H new ATOM 0 HB3 LEU A 94 34.298 27.737 18.429 1.00 0.00 H new ATOM 0 HG LEU A 94 37.260 27.221 18.704 1.00 0.00 H new ATOM 0 HD11 LEU A 94 36.683 26.467 21.025 1.00 0.00 H new ATOM 0 HD12 LEU A 94 36.289 28.183 20.765 1.00 0.00 H new ATOM 0 HD13 LEU A 94 34.996 26.961 20.745 1.00 0.00 H new ATOM 0 HD21 LEU A 94 36.608 24.860 19.207 1.00 0.00 H new ATOM 0 HD22 LEU A 94 34.915 25.268 18.841 1.00 0.00 H new ATOM 0 HD23 LEU A 94 36.145 25.344 17.558 1.00 0.00 H new ATOM 1264 N LEU A 95 33.330 28.783 16.070 1.00 0.00 N ATOM 1265 CA LEU A 95 32.373 29.818 15.834 1.00 0.00 C ATOM 1266 C LEU A 95 31.412 29.831 16.974 1.00 0.00 C ATOM 1267 O LEU A 95 30.917 28.776 17.368 1.00 0.00 O ATOM 1268 CB LEU A 95 31.601 29.576 14.526 1.00 0.00 C ATOM 1269 CG LEU A 95 30.458 30.556 14.207 1.00 0.00 C ATOM 1270 CD1 LEU A 95 30.933 32.010 14.046 1.00 0.00 C ATOM 1271 CD2 LEU A 95 29.724 30.112 12.931 1.00 0.00 C ATOM 0 H LEU A 95 32.893 27.884 16.272 1.00 0.00 H new ATOM 0 HA LEU A 95 32.894 30.772 15.747 1.00 0.00 H new ATOM 0 HB2 LEU A 95 32.313 29.603 13.701 1.00 0.00 H new ATOM 0 HB3 LEU A 95 31.187 28.568 14.557 1.00 0.00 H new ATOM 0 HG LEU A 95 29.783 30.533 15.062 1.00 0.00 H new ATOM 0 HD11 LEU A 95 30.079 32.649 13.822 1.00 0.00 H new ATOM 0 HD12 LEU A 95 31.403 32.344 14.971 1.00 0.00 H new ATOM 0 HD13 LEU A 95 31.654 32.069 13.230 1.00 0.00 H new ATOM 0 HD21 LEU A 95 28.917 30.812 12.713 1.00 0.00 H new ATOM 0 HD22 LEU A 95 30.424 30.095 12.096 1.00 0.00 H new ATOM 0 HD23 LEU A 95 29.310 29.115 13.078 1.00 0.00 H new ATOM 1283 N LEU A 96 31.107 31.013 17.537 1.00 0.00 N ATOM 1284 CA LEU A 96 30.176 31.115 18.618 1.00 0.00 C ATOM 1285 C LEU A 96 29.433 32.407 18.612 1.00 0.00 C ATOM 1286 O LEU A 96 29.784 33.346 17.900 1.00 0.00 O ATOM 1287 CB LEU A 96 30.792 30.750 19.979 1.00 0.00 C ATOM 1288 CG LEU A 96 31.842 31.643 20.659 1.00 0.00 C ATOM 1289 CD1 LEU A 96 33.086 31.959 19.809 1.00 0.00 C ATOM 1290 CD2 LEU A 96 31.261 32.925 21.277 1.00 0.00 C ATOM 0 H LEU A 96 31.508 31.903 17.242 1.00 0.00 H new ATOM 0 HA LEU A 96 29.418 30.350 18.447 1.00 0.00 H new ATOM 0 HB2 LEU A 96 29.965 30.645 20.681 1.00 0.00 H new ATOM 0 HB3 LEU A 96 31.242 29.764 19.867 1.00 0.00 H new ATOM 0 HG LEU A 96 32.191 31.011 21.476 1.00 0.00 H new ATOM 0 HD11 LEU A 96 33.764 32.594 20.379 1.00 0.00 H new ATOM 0 HD12 LEU A 96 33.593 31.030 19.547 1.00 0.00 H new ATOM 0 HD13 LEU A 96 32.783 32.476 18.899 1.00 0.00 H new ATOM 0 HD21 LEU A 96 32.063 33.502 21.738 1.00 0.00 H new ATOM 0 HD22 LEU A 96 30.786 33.521 20.498 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.522 32.662 22.034 1.00 0.00 H new ATOM 1302 N GLU A 97 28.343 32.500 19.396 1.00 0.00 N ATOM 1303 CA GLU A 97 27.600 33.706 19.600 1.00 0.00 C ATOM 1304 C GLU A 97 27.932 34.327 20.912 1.00 0.00 C ATOM 1305 O GLU A 97 28.076 33.653 21.931 1.00 0.00 O ATOM 1306 CB GLU A 97 26.077 33.503 19.659 1.00 0.00 C ATOM 1307 CG GLU A 97 25.368 33.125 18.357 1.00 0.00 C ATOM 1308 CD GLU A 97 23.862 33.078 18.576 1.00 0.00 C ATOM 1309 OE1 GLU A 97 23.390 32.320 19.465 1.00 0.00 O ATOM 1310 OE2 GLU A 97 23.121 33.817 17.874 1.00 0.00 O ATOM 0 H GLU A 97 27.964 31.703 19.908 1.00 0.00 H new ATOM 0 HA GLU A 97 27.874 34.321 18.743 1.00 0.00 H new ATOM 0 HB2 GLU A 97 25.869 32.726 20.394 1.00 0.00 H new ATOM 0 HB3 GLU A 97 25.628 34.424 20.032 1.00 0.00 H new ATOM 0 HG2 GLU A 97 25.608 33.850 17.579 1.00 0.00 H new ATOM 0 HG3 GLU A 97 25.723 32.155 18.009 1.00 0.00 H new ATOM 1317 N LYS A 98 27.946 35.671 20.967 1.00 0.00 N ATOM 1318 CA LYS A 98 27.979 36.455 22.162 1.00 0.00 C ATOM 1319 C LYS A 98 26.659 36.499 22.851 1.00 0.00 C ATOM 1320 O LYS A 98 25.640 36.828 22.245 1.00 0.00 O ATOM 1321 CB LYS A 98 28.329 37.911 21.807 1.00 0.00 C ATOM 1322 CG LYS A 98 28.625 38.730 23.065 1.00 0.00 C ATOM 1323 CD LYS A 98 29.455 39.964 22.705 1.00 0.00 C ATOM 1324 CE LYS A 98 30.637 40.137 23.662 1.00 0.00 C ATOM 1325 NZ LYS A 98 31.445 41.301 23.233 1.00 0.00 N ATOM 0 H LYS A 98 27.933 36.245 20.124 1.00 0.00 H new ATOM 0 HA LYS A 98 28.718 35.992 22.816 1.00 0.00 H new ATOM 0 HB2 LYS A 98 29.195 37.929 21.146 1.00 0.00 H new ATOM 0 HB3 LYS A 98 27.502 38.364 21.261 1.00 0.00 H new ATOM 0 HG2 LYS A 98 27.692 39.035 23.538 1.00 0.00 H new ATOM 0 HG3 LYS A 98 29.164 38.118 23.789 1.00 0.00 H new ATOM 0 HD2 LYS A 98 29.822 39.873 21.683 1.00 0.00 H new ATOM 0 HD3 LYS A 98 28.824 40.852 22.739 1.00 0.00 H new ATOM 0 HE2 LYS A 98 30.277 40.284 24.680 1.00 0.00 H new ATOM 0 HE3 LYS A 98 31.250 39.236 23.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 32.250 41.423 23.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 31.798 41.142 22.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 30.855 42.158 23.249 1.00 0.00 H new