USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 849 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 SER OG : rot -78:sc= 0.564 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -1.27! C(o=-0.7!,f=-4.5!) USER MOD Set 2.1: A 10 HIS : no HE2:sc= -7.03! C(o=-8.9!,f=-7.4!) USER MOD Set 2.2: A 13 MET CE :methyl -150:sc= -1.83! (180deg=-1.28) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0489 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.111 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 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0.00313 X(o=0.0031,f=-0.32) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.6! X(o=-1.6!,f=-2) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 92:sc= 0.817 USER MOD Single : A 36 SER OG : rot 180:sc= -1.5 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.83 K(o=-0.83,f=-2.8) USER MOD Single : A 49 SER OG : rot -160:sc= 0.514 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -34:sc= 2.04 USER MOD Single : A 63 THR OG1 : rot 150:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -175:sc= -2.16 (180deg=-2.44) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 148:sc= 1.11 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -45:sc= 0.629 USER MOD Single : A 91 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-1) USER MOD Single : A 93 LYS NZ :NH3+ -143:sc= 0.0337 (180deg=-0.00944) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= -1.65! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 TYR OH : rot 40:sc= -0.639 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.502 5.304 -27.848 1.00 0.00 N ATOM 2 CA GLY A 1 3.925 4.219 -27.073 1.00 0.00 C ATOM 3 C GLY A 1 3.944 4.543 -25.578 1.00 0.00 C ATOM 4 O GLY A 1 4.822 5.264 -25.106 1.00 0.00 O ATOM 0 H1 GLY A 1 3.750 5.791 -28.376 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.968 5.978 -27.208 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.201 4.920 -28.516 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.900 4.041 -27.397 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.482 3.300 -27.257 1.00 0.00 H new ATOM 8 N SER A 2 2.964 3.995 -24.874 1.00 0.00 N ATOM 9 CA SER A 2 2.857 4.217 -23.442 1.00 0.00 C ATOM 10 C SER A 2 3.871 3.344 -22.700 1.00 0.00 C ATOM 11 O SER A 2 3.522 2.284 -22.183 1.00 0.00 O ATOM 12 CB SER A 2 1.440 3.925 -22.944 1.00 0.00 C ATOM 13 OG SER A 2 0.512 4.923 -23.360 1.00 0.00 O ATOM 0 H SER A 2 2.237 3.398 -25.269 1.00 0.00 H new ATOM 0 HA SER A 2 3.075 5.266 -23.241 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.118 2.953 -23.317 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.443 3.864 -21.856 1.00 0.00 H new ATOM 0 HG SER A 2 -0.381 4.700 -23.024 1.00 0.00 H new ATOM 19 N SER A 3 5.106 3.823 -22.670 1.00 0.00 N ATOM 20 CA SER A 3 6.173 3.099 -21.999 1.00 0.00 C ATOM 21 C SER A 3 5.825 2.904 -20.522 1.00 0.00 C ATOM 22 O SER A 3 5.720 1.774 -20.050 1.00 0.00 O ATOM 23 CB SER A 3 7.508 3.834 -22.138 1.00 0.00 C ATOM 24 OG SER A 3 7.431 5.175 -21.665 1.00 0.00 O ATOM 0 H SER A 3 5.392 4.703 -23.099 1.00 0.00 H new ATOM 0 HA SER A 3 6.275 2.123 -22.473 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.277 3.297 -21.582 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.814 3.836 -23.184 1.00 0.00 H new ATOM 0 HG SER A 3 8.303 5.609 -21.769 1.00 0.00 H new ATOM 30 N GLY A 4 5.657 4.024 -19.834 1.00 0.00 N ATOM 31 CA GLY A 4 5.324 3.991 -18.420 1.00 0.00 C ATOM 32 C GLY A 4 4.893 5.373 -17.926 1.00 0.00 C ATOM 33 O GLY A 4 5.213 6.386 -18.546 1.00 0.00 O ATOM 0 H GLY A 4 5.745 4.960 -20.230 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.522 3.273 -18.248 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.186 3.649 -17.848 1.00 0.00 H new ATOM 37 N SER A 5 4.174 5.370 -16.813 1.00 0.00 N ATOM 38 CA SER A 5 3.696 6.612 -16.228 1.00 0.00 C ATOM 39 C SER A 5 3.179 6.357 -14.811 1.00 0.00 C ATOM 40 O SER A 5 2.221 5.610 -14.620 1.00 0.00 O ATOM 41 CB SER A 5 2.598 7.240 -17.089 1.00 0.00 C ATOM 42 OG SER A 5 2.970 8.527 -17.573 1.00 0.00 O ATOM 0 H SER A 5 3.911 4.528 -16.301 1.00 0.00 H new ATOM 0 HA SER A 5 4.530 7.313 -16.183 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.379 6.585 -17.932 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.682 7.323 -16.504 1.00 0.00 H new ATOM 0 HG SER A 5 2.244 8.894 -18.119 1.00 0.00 H new ATOM 48 N SER A 6 3.836 6.994 -13.852 1.00 0.00 N ATOM 49 CA SER A 6 3.455 6.846 -12.458 1.00 0.00 C ATOM 50 C SER A 6 2.020 7.335 -12.253 1.00 0.00 C ATOM 51 O SER A 6 1.474 8.040 -13.100 1.00 0.00 O ATOM 52 CB SER A 6 4.412 7.610 -11.541 1.00 0.00 C ATOM 53 OG SER A 6 4.627 8.946 -11.988 1.00 0.00 O ATOM 0 H SER A 6 4.630 7.614 -14.014 1.00 0.00 H new ATOM 0 HA SER A 6 3.513 5.789 -12.198 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.008 7.627 -10.529 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.366 7.085 -11.495 1.00 0.00 H new ATOM 0 HG SER A 6 5.242 9.401 -11.375 1.00 0.00 H new ATOM 59 N GLY A 7 1.449 6.940 -11.124 1.00 0.00 N ATOM 60 CA GLY A 7 0.088 7.329 -10.797 1.00 0.00 C ATOM 61 C GLY A 7 -0.508 6.401 -9.738 1.00 0.00 C ATOM 62 O GLY A 7 -0.948 5.296 -10.052 1.00 0.00 O ATOM 0 H GLY A 7 1.905 6.354 -10.424 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.077 8.356 -10.433 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.527 7.303 -11.696 1.00 0.00 H new ATOM 66 N TRP A 8 -0.504 6.884 -8.504 1.00 0.00 N ATOM 67 CA TRP A 8 -1.039 6.111 -7.396 1.00 0.00 C ATOM 68 C TRP A 8 -1.163 7.041 -6.187 1.00 0.00 C ATOM 69 O TRP A 8 -2.168 7.012 -5.478 1.00 0.00 O ATOM 70 CB TRP A 8 -0.173 4.880 -7.117 1.00 0.00 C ATOM 71 CG TRP A 8 1.233 4.961 -7.714 1.00 0.00 C ATOM 72 CD1 TRP A 8 1.667 4.452 -8.875 1.00 0.00 C ATOM 73 CD2 TRP A 8 2.380 5.612 -7.128 1.00 0.00 C ATOM 74 NE1 TRP A 8 3.004 4.726 -9.079 1.00 0.00 N ATOM 75 CE2 TRP A 8 3.451 5.454 -7.983 1.00 0.00 C ATOM 76 CE3 TRP A 8 2.508 6.312 -5.915 1.00 0.00 C ATOM 77 CZ2 TRP A 8 4.726 5.968 -7.717 1.00 0.00 C ATOM 78 CZ3 TRP A 8 3.788 6.819 -5.664 1.00 0.00 C ATOM 79 CH2 TRP A 8 4.877 6.669 -6.515 1.00 0.00 C ATOM 0 H TRP A 8 -0.139 7.801 -8.247 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.028 5.722 -7.639 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.092 4.742 -6.039 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.675 3.998 -7.514 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.048 3.897 -9.565 1.00 0.00 H new ATOM 0 HE1 TRP A 8 3.562 4.446 -9.886 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.683 6.448 -5.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 5.549 5.831 -8.403 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.940 7.365 -4.745 1.00 0.00 H new ATOM 0 HH2 TRP A 8 5.835 7.091 -6.250 1.00 0.00 H new ATOM 90 N TYR A 9 -0.128 7.844 -5.990 1.00 0.00 N ATOM 91 CA TYR A 9 -0.109 8.780 -4.879 1.00 0.00 C ATOM 92 C TYR A 9 -1.388 9.619 -4.847 1.00 0.00 C ATOM 93 O TYR A 9 -1.530 10.571 -5.613 1.00 0.00 O ATOM 94 CB TYR A 9 1.086 9.703 -5.127 1.00 0.00 C ATOM 95 CG TYR A 9 1.382 10.661 -3.971 1.00 0.00 C ATOM 96 CD1 TYR A 9 2.077 10.215 -2.866 1.00 0.00 C ATOM 97 CD2 TYR A 9 0.954 11.972 -4.034 1.00 0.00 C ATOM 98 CE1 TYR A 9 2.356 11.117 -1.778 1.00 0.00 C ATOM 99 CE2 TYR A 9 1.233 12.874 -2.947 1.00 0.00 C ATOM 100 CZ TYR A 9 1.920 12.402 -1.872 1.00 0.00 C ATOM 101 OH TYR A 9 2.183 13.253 -0.845 1.00 0.00 O ATOM 0 H TYR A 9 0.703 7.866 -6.581 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.038 8.249 -3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.970 9.094 -5.316 1.00 0.00 H new ATOM 0 HB3 TYR A 9 0.901 10.285 -6.030 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.412 9.189 -2.817 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.410 12.321 -4.899 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.899 10.781 -0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.904 13.902 -2.984 1.00 0.00 H new ATOM 0 HH TYR A 9 1.813 14.137 -1.050 1.00 0.00 H new ATOM 111 N HIS A 10 -2.287 9.236 -3.953 1.00 0.00 N ATOM 112 CA HIS A 10 -3.550 9.941 -3.811 1.00 0.00 C ATOM 113 C HIS A 10 -3.329 11.236 -3.028 1.00 0.00 C ATOM 114 O HIS A 10 -4.074 12.201 -3.193 1.00 0.00 O ATOM 115 CB HIS A 10 -4.608 9.037 -3.176 1.00 0.00 C ATOM 116 CG HIS A 10 -4.988 7.846 -4.024 1.00 0.00 C ATOM 117 ND1 HIS A 10 -6.010 7.885 -4.956 1.00 0.00 N ATOM 118 CD2 HIS A 10 -4.471 6.585 -4.071 1.00 0.00 C ATOM 119 CE1 HIS A 10 -6.097 6.695 -5.531 1.00 0.00 C ATOM 120 NE2 HIS A 10 -5.142 5.890 -4.981 1.00 0.00 N ATOM 0 H HIS A 10 -2.166 8.446 -3.319 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.932 10.213 -4.795 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.238 8.682 -2.214 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.502 9.627 -2.975 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -6.597 8.693 -5.165 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.654 6.215 -3.470 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -6.800 6.411 -6.300 1.00 0.00 H new ATOM 128 N GLY A 11 -2.302 11.217 -2.191 1.00 0.00 N ATOM 129 CA GLY A 11 -1.973 12.378 -1.382 1.00 0.00 C ATOM 130 C GLY A 11 -2.382 12.163 0.077 1.00 0.00 C ATOM 131 O GLY A 11 -1.845 11.287 0.753 1.00 0.00 O ATOM 0 H GLY A 11 -1.686 10.415 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.902 12.573 -1.438 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.479 13.258 -1.779 1.00 0.00 H new ATOM 135 N HIS A 12 -3.329 12.977 0.519 1.00 0.00 N ATOM 136 CA HIS A 12 -3.816 12.887 1.885 1.00 0.00 C ATOM 137 C HIS A 12 -5.069 12.009 1.926 1.00 0.00 C ATOM 138 O HIS A 12 -6.188 12.518 1.929 1.00 0.00 O ATOM 139 CB HIS A 12 -4.050 14.280 2.471 1.00 0.00 C ATOM 140 CG HIS A 12 -3.116 15.338 1.933 1.00 0.00 C ATOM 141 ND1 HIS A 12 -3.380 16.053 0.778 1.00 0.00 N ATOM 142 CD2 HIS A 12 -1.919 15.794 2.403 1.00 0.00 C ATOM 143 CE1 HIS A 12 -2.380 16.898 0.571 1.00 0.00 C ATOM 144 NE2 HIS A 12 -1.476 16.735 1.579 1.00 0.00 N ATOM 0 H HIS A 12 -3.772 13.702 -0.045 1.00 0.00 H new ATOM 0 HA HIS A 12 -3.061 12.414 2.513 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -5.078 14.580 2.268 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.941 14.230 3.554 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.417 15.448 3.294 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -2.296 17.593 -0.251 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -0.603 17.252 1.683 1.00 0.00 H new ATOM 152 N MET A 13 -4.837 10.705 1.957 1.00 0.00 N ATOM 153 CA MET A 13 -5.933 9.751 1.998 1.00 0.00 C ATOM 154 C MET A 13 -5.980 9.027 3.346 1.00 0.00 C ATOM 155 O MET A 13 -4.940 8.748 3.941 1.00 0.00 O ATOM 156 CB MET A 13 -5.761 8.727 0.874 1.00 0.00 C ATOM 157 CG MET A 13 -6.994 7.828 0.759 1.00 0.00 C ATOM 158 SD MET A 13 -8.211 8.593 -0.298 1.00 0.00 S ATOM 159 CE MET A 13 -7.727 7.909 -1.874 1.00 0.00 C ATOM 0 H MET A 13 -3.907 10.286 1.955 1.00 0.00 H new ATOM 0 HA MET A 13 -6.868 10.295 1.866 1.00 0.00 H new ATOM 0 HB2 MET A 13 -5.594 9.244 -0.071 1.00 0.00 H new ATOM 0 HB3 MET A 13 -4.878 8.117 1.065 1.00 0.00 H new ATOM 0 HG2 MET A 13 -6.709 6.856 0.356 1.00 0.00 H new ATOM 0 HG3 MET A 13 -7.418 7.651 1.747 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.971 8.615 -2.668 1.00 0.00 H new ATOM 0 HE2 MET A 13 -6.654 7.720 -1.874 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.260 6.974 -2.044 1.00 0.00 H new ATOM 169 N SER A 14 -7.196 8.744 3.787 1.00 0.00 N ATOM 170 CA SER A 14 -7.392 8.058 5.053 1.00 0.00 C ATOM 171 C SER A 14 -7.241 6.548 4.859 1.00 0.00 C ATOM 172 O SER A 14 -7.855 5.969 3.964 1.00 0.00 O ATOM 173 CB SER A 14 -8.764 8.382 5.648 1.00 0.00 C ATOM 174 OG SER A 14 -8.689 8.651 7.046 1.00 0.00 O ATOM 0 H SER A 14 -8.056 8.977 3.291 1.00 0.00 H new ATOM 0 HA SER A 14 -6.631 8.406 5.752 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.187 9.245 5.135 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.441 7.545 5.475 1.00 0.00 H new ATOM 0 HG SER A 14 -9.584 8.855 7.388 1.00 0.00 H new ATOM 180 N GLY A 15 -6.420 5.953 5.712 1.00 0.00 N ATOM 181 CA GLY A 15 -6.180 4.522 5.645 1.00 0.00 C ATOM 182 C GLY A 15 -7.490 3.755 5.455 1.00 0.00 C ATOM 183 O GLY A 15 -7.688 3.103 4.431 1.00 0.00 O ATOM 0 H GLY A 15 -5.913 6.436 6.453 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.502 4.301 4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.689 4.189 6.559 1.00 0.00 H new ATOM 187 N GLY A 16 -8.350 3.858 6.457 1.00 0.00 N ATOM 188 CA GLY A 16 -9.636 3.182 6.413 1.00 0.00 C ATOM 189 C GLY A 16 -10.294 3.345 5.041 1.00 0.00 C ATOM 190 O GLY A 16 -10.915 2.413 4.532 1.00 0.00 O ATOM 0 H GLY A 16 -8.182 4.400 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.502 2.123 6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.291 3.587 7.185 1.00 0.00 H new ATOM 194 N GLN A 17 -10.135 4.536 4.482 1.00 0.00 N ATOM 195 CA GLN A 17 -10.706 4.833 3.179 1.00 0.00 C ATOM 196 C GLN A 17 -10.143 3.879 2.123 1.00 0.00 C ATOM 197 O GLN A 17 -10.885 3.100 1.527 1.00 0.00 O ATOM 198 CB GLN A 17 -10.456 6.291 2.790 1.00 0.00 C ATOM 199 CG GLN A 17 -11.762 6.987 2.402 1.00 0.00 C ATOM 200 CD GLN A 17 -11.655 8.501 2.596 1.00 0.00 C ATOM 201 OE1 GLN A 17 -11.771 9.022 3.693 1.00 0.00 O ATOM 202 NE2 GLN A 17 -11.428 9.175 1.472 1.00 0.00 N ATOM 0 H GLN A 17 -9.619 5.306 4.907 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.785 4.687 3.235 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.992 6.819 3.623 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.755 6.334 1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -12.001 6.766 1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.580 6.596 3.007 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.341 8.676 0.587 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -11.340 10.191 1.495 1.00 0.00 H new ATOM 211 N ALA A 18 -8.837 3.973 1.924 1.00 0.00 N ATOM 212 CA ALA A 18 -8.166 3.128 0.950 1.00 0.00 C ATOM 213 C ALA A 18 -8.789 1.731 0.978 1.00 0.00 C ATOM 214 O ALA A 18 -9.233 1.225 -0.051 1.00 0.00 O ATOM 215 CB ALA A 18 -6.665 3.104 1.244 1.00 0.00 C ATOM 0 H ALA A 18 -8.225 4.621 2.420 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.295 3.525 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.161 2.470 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.266 4.116 1.182 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.497 2.708 2.245 1.00 0.00 H new ATOM 221 N GLU A 19 -8.801 1.148 2.168 1.00 0.00 N ATOM 222 CA GLU A 19 -9.362 -0.181 2.343 1.00 0.00 C ATOM 223 C GLU A 19 -10.691 -0.300 1.594 1.00 0.00 C ATOM 224 O GLU A 19 -10.905 -1.255 0.850 1.00 0.00 O ATOM 225 CB GLU A 19 -9.538 -0.510 3.827 1.00 0.00 C ATOM 226 CG GLU A 19 -8.395 -1.393 4.332 1.00 0.00 C ATOM 227 CD GLU A 19 -8.914 -2.466 5.292 1.00 0.00 C ATOM 228 OE1 GLU A 19 -9.870 -3.167 4.896 1.00 0.00 O ATOM 229 OE2 GLU A 19 -8.343 -2.561 6.399 1.00 0.00 O ATOM 0 H GLU A 19 -8.432 1.571 3.019 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.665 -0.906 1.923 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.573 0.413 4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.490 -1.018 3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.896 -1.867 3.487 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.651 -0.777 4.837 1.00 0.00 H new ATOM 236 N THR A 20 -11.549 0.685 1.817 1.00 0.00 N ATOM 237 CA THR A 20 -12.851 0.703 1.172 1.00 0.00 C ATOM 238 C THR A 20 -12.703 0.999 -0.321 1.00 0.00 C ATOM 239 O THR A 20 -13.337 0.350 -1.152 1.00 0.00 O ATOM 240 CB THR A 20 -13.730 1.716 1.909 1.00 0.00 C ATOM 241 OG1 THR A 20 -14.258 0.983 3.010 1.00 0.00 O ATOM 242 CG2 THR A 20 -14.966 2.116 1.100 1.00 0.00 C ATOM 0 H THR A 20 -11.368 1.476 2.435 1.00 0.00 H new ATOM 0 HA THR A 20 -13.335 -0.272 1.231 1.00 0.00 H new ATOM 0 HB THR A 20 -13.143 2.605 2.139 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.839 1.566 3.543 1.00 0.00 H new ATOM 0 HG21 THR A 20 -15.555 2.836 1.668 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.654 2.566 0.157 1.00 0.00 H new ATOM 0 HG23 THR A 20 -15.570 1.232 0.898 1.00 0.00 H new ATOM 250 N LEU A 21 -11.862 1.979 -0.617 1.00 0.00 N ATOM 251 CA LEU A 21 -11.622 2.369 -1.995 1.00 0.00 C ATOM 252 C LEU A 21 -11.146 1.151 -2.790 1.00 0.00 C ATOM 253 O LEU A 21 -11.708 0.830 -3.836 1.00 0.00 O ATOM 254 CB LEU A 21 -10.660 3.557 -2.057 1.00 0.00 C ATOM 255 CG LEU A 21 -11.243 4.914 -1.655 1.00 0.00 C ATOM 256 CD1 LEU A 21 -10.812 5.298 -0.238 1.00 0.00 C ATOM 257 CD2 LEU A 21 -10.878 5.992 -2.677 1.00 0.00 C ATOM 0 H LEU A 21 -11.338 2.515 0.075 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.546 2.713 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.809 3.344 -1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.276 3.636 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.330 4.831 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.240 6.266 0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.164 4.544 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.725 5.358 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.305 6.946 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.794 6.082 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.276 5.717 -3.654 1.00 0.00 H new ATOM 269 N LEU A 22 -10.116 0.507 -2.263 1.00 0.00 N ATOM 270 CA LEU A 22 -9.558 -0.669 -2.910 1.00 0.00 C ATOM 271 C LEU A 22 -10.644 -1.739 -3.039 1.00 0.00 C ATOM 272 O LEU A 22 -10.790 -2.357 -4.092 1.00 0.00 O ATOM 273 CB LEU A 22 -8.308 -1.147 -2.168 1.00 0.00 C ATOM 274 CG LEU A 22 -7.061 -0.274 -2.323 1.00 0.00 C ATOM 275 CD1 LEU A 22 -6.158 -0.386 -1.093 1.00 0.00 C ATOM 276 CD2 LEU A 22 -6.314 -0.610 -3.615 1.00 0.00 C ATOM 0 H LEU A 22 -9.653 0.777 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.227 -0.427 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.546 -1.221 -1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.068 -2.153 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.378 0.766 -2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.279 0.244 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.705 -0.060 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.845 -1.422 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.432 0.025 -3.701 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.008 -1.656 -3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.969 -0.438 -4.469 1.00 0.00 H new ATOM 288 N GLN A 23 -11.379 -1.924 -1.952 1.00 0.00 N ATOM 289 CA GLN A 23 -12.447 -2.909 -1.929 1.00 0.00 C ATOM 290 C GLN A 23 -13.521 -2.549 -2.958 1.00 0.00 C ATOM 291 O GLN A 23 -13.973 -3.407 -3.715 1.00 0.00 O ATOM 292 CB GLN A 23 -13.049 -3.033 -0.528 1.00 0.00 C ATOM 293 CG GLN A 23 -12.137 -3.850 0.390 1.00 0.00 C ATOM 294 CD GLN A 23 -12.697 -3.902 1.813 1.00 0.00 C ATOM 295 OE1 GLN A 23 -13.549 -3.121 2.201 1.00 0.00 O ATOM 296 NE2 GLN A 23 -12.171 -4.864 2.566 1.00 0.00 N ATOM 0 H GLN A 23 -11.256 -1.408 -1.081 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.027 -3.879 -2.194 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.202 -2.040 -0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -14.028 -3.508 -0.590 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -12.033 -4.862 -0.001 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -11.140 -3.410 0.403 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.460 -5.484 2.178 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.478 -4.981 3.531 1.00 0.00 H new ATOM 305 N ALA A 24 -13.900 -1.279 -2.952 1.00 0.00 N ATOM 306 CA ALA A 24 -14.912 -0.796 -3.875 1.00 0.00 C ATOM 307 C ALA A 24 -14.568 -1.259 -5.292 1.00 0.00 C ATOM 308 O ALA A 24 -15.454 -1.629 -6.060 1.00 0.00 O ATOM 309 CB ALA A 24 -15.015 0.727 -3.768 1.00 0.00 C ATOM 0 H ALA A 24 -13.524 -0.570 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.889 -1.208 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -15.774 1.090 -4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -15.291 1.002 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.053 1.175 -4.017 1.00 0.00 H new ATOM 315 N LYS A 25 -13.279 -1.224 -5.594 1.00 0.00 N ATOM 316 CA LYS A 25 -12.806 -1.636 -6.905 1.00 0.00 C ATOM 317 C LYS A 25 -12.787 -3.165 -6.979 1.00 0.00 C ATOM 318 O LYS A 25 -13.363 -3.753 -7.892 1.00 0.00 O ATOM 319 CB LYS A 25 -11.456 -0.989 -7.216 1.00 0.00 C ATOM 320 CG LYS A 25 -11.352 -0.620 -8.697 1.00 0.00 C ATOM 321 CD LYS A 25 -11.164 0.888 -8.876 1.00 0.00 C ATOM 322 CE LYS A 25 -11.472 1.313 -10.312 1.00 0.00 C ATOM 323 NZ LYS A 25 -12.814 1.931 -10.393 1.00 0.00 N ATOM 0 H LYS A 25 -12.547 -0.917 -4.954 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.487 -1.287 -7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.328 -0.095 -6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.651 -1.674 -6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.514 -1.150 -9.149 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.253 -0.942 -9.220 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.817 1.424 -8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.140 1.163 -8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.718 2.020 -10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.423 0.447 -10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.007 2.214 -11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.531 1.245 -10.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.848 2.769 -9.778 1.00 0.00 H new ATOM 337 N GLY A 26 -12.118 -3.763 -6.004 1.00 0.00 N ATOM 338 CA GLY A 26 -12.016 -5.212 -5.946 1.00 0.00 C ATOM 339 C GLY A 26 -10.770 -5.703 -6.685 1.00 0.00 C ATOM 340 O GLY A 26 -10.266 -6.790 -6.405 1.00 0.00 O ATOM 0 H GLY A 26 -11.641 -3.271 -5.248 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.978 -5.536 -4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.906 -5.661 -6.388 1.00 0.00 H new ATOM 344 N GLU A 27 -10.307 -4.879 -7.613 1.00 0.00 N ATOM 345 CA GLU A 27 -9.129 -5.216 -8.393 1.00 0.00 C ATOM 346 C GLU A 27 -8.062 -5.848 -7.497 1.00 0.00 C ATOM 347 O GLU A 27 -7.540 -5.198 -6.593 1.00 0.00 O ATOM 348 CB GLU A 27 -8.579 -3.984 -9.115 1.00 0.00 C ATOM 349 CG GLU A 27 -9.498 -3.567 -10.265 1.00 0.00 C ATOM 350 CD GLU A 27 -9.024 -2.256 -10.898 1.00 0.00 C ATOM 351 OE1 GLU A 27 -7.978 -1.750 -10.437 1.00 0.00 O ATOM 352 OE2 GLU A 27 -9.718 -1.791 -11.827 1.00 0.00 O ATOM 0 H GLU A 27 -10.727 -3.978 -7.842 1.00 0.00 H new ATOM 0 HA GLU A 27 -9.416 -5.944 -9.152 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.477 -3.160 -8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.582 -4.199 -9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -9.521 -4.352 -11.020 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -10.517 -3.450 -9.897 1.00 0.00 H new ATOM 359 N PRO A 28 -7.762 -7.143 -7.787 1.00 0.00 N ATOM 360 CA PRO A 28 -6.766 -7.870 -7.018 1.00 0.00 C ATOM 361 C PRO A 28 -5.351 -7.423 -7.390 1.00 0.00 C ATOM 362 O PRO A 28 -5.008 -7.353 -8.569 1.00 0.00 O ATOM 363 CB PRO A 28 -7.026 -9.336 -7.326 1.00 0.00 C ATOM 364 CG PRO A 28 -7.846 -9.354 -8.606 1.00 0.00 C ATOM 365 CD PRO A 28 -8.359 -7.945 -8.850 1.00 0.00 C ATOM 0 HA PRO A 28 -6.841 -7.681 -5.947 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.090 -9.880 -7.454 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.565 -9.817 -6.510 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.236 -9.689 -9.445 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.678 -10.053 -8.517 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -8.063 -7.581 -9.834 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.448 -7.908 -8.810 1.00 0.00 H new ATOM 373 N TRP A 29 -4.568 -7.131 -6.362 1.00 0.00 N ATOM 374 CA TRP A 29 -3.198 -6.692 -6.566 1.00 0.00 C ATOM 375 C TRP A 29 -3.228 -5.212 -6.952 1.00 0.00 C ATOM 376 O TRP A 29 -2.673 -4.823 -7.979 1.00 0.00 O ATOM 377 CB TRP A 29 -2.491 -7.566 -7.603 1.00 0.00 C ATOM 378 CG TRP A 29 -2.616 -9.068 -7.341 1.00 0.00 C ATOM 379 CD1 TRP A 29 -3.014 -10.024 -8.191 1.00 0.00 C ATOM 380 CD2 TRP A 29 -2.322 -9.752 -6.104 1.00 0.00 C ATOM 381 NE1 TRP A 29 -2.999 -11.269 -7.595 1.00 0.00 N ATOM 382 CE2 TRP A 29 -2.565 -11.098 -6.286 1.00 0.00 C ATOM 383 CE3 TRP A 29 -1.866 -9.250 -4.872 1.00 0.00 C ATOM 384 CZ2 TRP A 29 -2.381 -12.053 -5.279 1.00 0.00 C ATOM 385 CZ3 TRP A 29 -1.687 -10.217 -3.876 1.00 0.00 C ATOM 386 CH2 TRP A 29 -1.927 -11.576 -4.044 1.00 0.00 C ATOM 0 H TRP A 29 -4.856 -7.190 -5.385 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.618 -6.801 -5.650 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.900 -7.344 -8.589 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.435 -7.299 -7.628 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.309 -9.843 -9.214 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.259 -12.152 -8.035 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.669 -8.201 -4.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.579 -13.101 -5.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.338 -9.884 -2.910 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.764 -12.261 -3.225 1.00 0.00 H new ATOM 397 N THR A 30 -3.882 -4.426 -6.109 1.00 0.00 N ATOM 398 CA THR A 30 -3.992 -2.998 -6.350 1.00 0.00 C ATOM 399 C THR A 30 -3.411 -2.212 -5.172 1.00 0.00 C ATOM 400 O THR A 30 -3.916 -2.299 -4.054 1.00 0.00 O ATOM 401 CB THR A 30 -5.462 -2.677 -6.627 1.00 0.00 C ATOM 402 OG1 THR A 30 -5.894 -3.735 -7.478 1.00 0.00 O ATOM 403 CG2 THR A 30 -5.636 -1.418 -7.480 1.00 0.00 C ATOM 0 H THR A 30 -4.341 -4.752 -5.258 1.00 0.00 H new ATOM 0 HA THR A 30 -3.409 -2.698 -7.221 1.00 0.00 H new ATOM 0 HB THR A 30 -5.990 -2.551 -5.682 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.262 -4.463 -6.934 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.698 -1.235 -7.647 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.198 -0.564 -6.962 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.136 -1.556 -8.439 1.00 0.00 H new ATOM 411 N PHE A 31 -2.358 -1.464 -5.464 1.00 0.00 N ATOM 412 CA PHE A 31 -1.702 -0.664 -4.443 1.00 0.00 C ATOM 413 C PHE A 31 -1.995 0.825 -4.642 1.00 0.00 C ATOM 414 O PHE A 31 -2.521 1.225 -5.679 1.00 0.00 O ATOM 415 CB PHE A 31 -0.197 -0.899 -4.588 1.00 0.00 C ATOM 416 CG PHE A 31 0.473 -0.009 -5.637 1.00 0.00 C ATOM 417 CD1 PHE A 31 0.329 -0.289 -6.960 1.00 0.00 C ATOM 418 CD2 PHE A 31 1.214 1.063 -5.245 1.00 0.00 C ATOM 419 CE1 PHE A 31 0.952 0.537 -7.932 1.00 0.00 C ATOM 420 CE2 PHE A 31 1.836 1.889 -6.218 1.00 0.00 C ATOM 421 CZ PHE A 31 1.692 1.609 -7.541 1.00 0.00 C ATOM 0 H PHE A 31 -1.942 -1.395 -6.393 1.00 0.00 H new ATOM 0 HA PHE A 31 -2.065 -0.950 -3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.282 -0.730 -3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.026 -1.943 -4.850 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.259 -1.140 -7.271 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.329 1.285 -4.194 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.838 0.314 -8.983 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.424 2.740 -5.907 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.165 2.238 -8.281 1.00 0.00 H new ATOM 431 N LEU A 32 -1.642 1.605 -3.630 1.00 0.00 N ATOM 432 CA LEU A 32 -1.860 3.040 -3.680 1.00 0.00 C ATOM 433 C LEU A 32 -1.070 3.711 -2.555 1.00 0.00 C ATOM 434 O LEU A 32 -1.064 3.230 -1.423 1.00 0.00 O ATOM 435 CB LEU A 32 -3.357 3.356 -3.654 1.00 0.00 C ATOM 436 CG LEU A 32 -4.030 3.303 -2.281 1.00 0.00 C ATOM 437 CD1 LEU A 32 -3.738 4.573 -1.478 1.00 0.00 C ATOM 438 CD2 LEU A 32 -5.531 3.042 -2.416 1.00 0.00 C ATOM 0 H LEU A 32 -1.207 1.269 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.488 3.449 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.505 4.352 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.868 2.655 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.607 2.466 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.228 4.510 -0.506 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.662 4.674 -1.336 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.116 5.441 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.985 3.009 -1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.988 3.842 -2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.691 2.089 -2.920 1.00 0.00 H new ATOM 450 N VAL A 33 -0.423 4.813 -2.905 1.00 0.00 N ATOM 451 CA VAL A 33 0.369 5.555 -1.938 1.00 0.00 C ATOM 452 C VAL A 33 -0.467 6.708 -1.379 1.00 0.00 C ATOM 453 O VAL A 33 -1.098 7.446 -2.135 1.00 0.00 O ATOM 454 CB VAL A 33 1.677 6.021 -2.580 1.00 0.00 C ATOM 455 CG1 VAL A 33 2.677 6.479 -1.517 1.00 0.00 C ATOM 456 CG2 VAL A 33 2.277 4.924 -3.461 1.00 0.00 C ATOM 0 H VAL A 33 -0.431 5.210 -3.844 1.00 0.00 H new ATOM 0 HA VAL A 33 0.645 4.916 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 33 1.451 6.876 -3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.598 6.805 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.252 7.307 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.895 5.651 -0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.206 5.281 -3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.481 4.041 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.572 4.666 -4.252 1.00 0.00 H new ATOM 466 N ARG A 34 -0.445 6.828 -0.060 1.00 0.00 N ATOM 467 CA ARG A 34 -1.193 7.879 0.609 1.00 0.00 C ATOM 468 C ARG A 34 -0.440 8.357 1.852 1.00 0.00 C ATOM 469 O ARG A 34 0.195 7.561 2.543 1.00 0.00 O ATOM 470 CB ARG A 34 -2.583 7.390 1.020 1.00 0.00 C ATOM 471 CG ARG A 34 -2.517 5.975 1.599 1.00 0.00 C ATOM 472 CD ARG A 34 -3.847 5.585 2.247 1.00 0.00 C ATOM 473 NE ARG A 34 -3.606 5.009 3.589 1.00 0.00 N ATOM 474 CZ ARG A 34 -3.211 5.721 4.653 1.00 0.00 C ATOM 475 NH1 ARG A 34 -3.010 7.041 4.538 1.00 0.00 N ATOM 476 NH2 ARG A 34 -3.017 5.113 5.831 1.00 0.00 N ATOM 0 H ARG A 34 0.079 6.215 0.564 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.304 8.705 -0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.008 8.070 1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.247 7.403 0.156 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.272 5.266 0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.718 5.917 2.338 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.492 6.460 2.328 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.368 4.862 1.620 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.750 4.007 3.712 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.158 7.503 3.641 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.709 7.584 5.348 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.170 4.108 5.918 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -2.716 5.655 6.641 1.00 0.00 H new ATOM 490 N GLU A 35 -0.535 9.656 2.099 1.00 0.00 N ATOM 491 CA GLU A 35 0.130 10.249 3.247 1.00 0.00 C ATOM 492 C GLU A 35 -0.556 9.811 4.543 1.00 0.00 C ATOM 493 O GLU A 35 -1.783 9.753 4.611 1.00 0.00 O ATOM 494 CB GLU A 35 0.162 11.775 3.133 1.00 0.00 C ATOM 495 CG GLU A 35 1.527 12.327 3.548 1.00 0.00 C ATOM 496 CD GLU A 35 1.427 13.803 3.937 1.00 0.00 C ATOM 497 OE1 GLU A 35 0.910 14.064 5.046 1.00 0.00 O ATOM 498 OE2 GLU A 35 1.868 14.638 3.118 1.00 0.00 O ATOM 0 H GLU A 35 -1.062 10.314 1.524 1.00 0.00 H new ATOM 0 HA GLU A 35 1.161 9.896 3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.058 12.071 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.616 12.207 3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.916 11.751 4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.235 12.211 2.727 1.00 0.00 H new ATOM 505 N SER A 36 0.266 9.513 5.538 1.00 0.00 N ATOM 506 CA SER A 36 -0.246 9.081 6.828 1.00 0.00 C ATOM 507 C SER A 36 -0.769 10.285 7.613 1.00 0.00 C ATOM 508 O SER A 36 0.007 11.141 8.034 1.00 0.00 O ATOM 509 CB SER A 36 0.832 8.351 7.632 1.00 0.00 C ATOM 510 OG SER A 36 0.511 6.977 7.830 1.00 0.00 O ATOM 0 H SER A 36 1.283 9.562 5.477 1.00 0.00 H new ATOM 0 HA SER A 36 -1.066 8.384 6.655 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.787 8.429 7.112 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.955 8.838 8.600 1.00 0.00 H new ATOM 0 HG SER A 36 1.224 6.546 8.346 1.00 0.00 H new ATOM 516 N LEU A 37 -2.082 10.313 7.786 1.00 0.00 N ATOM 517 CA LEU A 37 -2.719 11.398 8.513 1.00 0.00 C ATOM 518 C LEU A 37 -2.285 11.347 9.979 1.00 0.00 C ATOM 519 O LEU A 37 -1.841 12.351 10.534 1.00 0.00 O ATOM 520 CB LEU A 37 -4.236 11.357 8.318 1.00 0.00 C ATOM 521 CG LEU A 37 -4.735 11.585 6.890 1.00 0.00 C ATOM 522 CD1 LEU A 37 -6.211 11.205 6.759 1.00 0.00 C ATOM 523 CD2 LEU A 37 -4.471 13.023 6.440 1.00 0.00 C ATOM 0 H LEU A 37 -2.723 9.601 7.435 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.397 12.362 8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.600 10.388 8.658 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.686 12.111 8.964 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.173 10.931 6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.541 11.376 5.734 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.339 10.152 7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.806 11.815 7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.835 13.158 5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.989 13.713 7.105 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.400 13.223 6.472 1.00 0.00 H new ATOM 535 N SER A 38 -2.428 10.167 10.565 1.00 0.00 N ATOM 536 CA SER A 38 -2.057 9.972 11.956 1.00 0.00 C ATOM 537 C SER A 38 -0.551 10.182 12.130 1.00 0.00 C ATOM 538 O SER A 38 -0.098 10.604 13.193 1.00 0.00 O ATOM 539 CB SER A 38 -2.458 8.579 12.443 1.00 0.00 C ATOM 540 OG SER A 38 -3.477 8.634 13.437 1.00 0.00 O ATOM 0 H SER A 38 -2.796 9.336 10.101 1.00 0.00 H new ATOM 0 HA SER A 38 -2.592 10.706 12.559 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.808 7.986 11.598 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.583 8.071 12.848 1.00 0.00 H new ATOM 0 HG SER A 38 -3.707 7.725 13.721 1.00 0.00 H new ATOM 546 N GLN A 39 0.183 9.877 11.069 1.00 0.00 N ATOM 547 CA GLN A 39 1.628 10.027 11.092 1.00 0.00 C ATOM 548 C GLN A 39 2.080 10.976 9.980 1.00 0.00 C ATOM 549 O GLN A 39 2.309 10.549 8.849 1.00 0.00 O ATOM 550 CB GLN A 39 2.322 8.669 10.969 1.00 0.00 C ATOM 551 CG GLN A 39 2.973 8.264 12.293 1.00 0.00 C ATOM 552 CD GLN A 39 1.942 8.232 13.424 1.00 0.00 C ATOM 553 OE1 GLN A 39 0.790 7.876 13.238 1.00 0.00 O ATOM 554 NE2 GLN A 39 2.419 8.623 14.602 1.00 0.00 N ATOM 0 H GLN A 39 -0.196 9.527 10.189 1.00 0.00 H new ATOM 0 HA GLN A 39 1.914 10.459 12.051 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.597 7.912 10.670 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.079 8.713 10.186 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.435 7.282 12.190 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.769 8.967 12.541 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.394 8.909 14.688 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.809 8.637 15.420 1.00 0.00 H new ATOM 563 N PRO A 40 2.200 12.279 10.350 1.00 0.00 N ATOM 564 CA PRO A 40 2.621 13.292 9.397 1.00 0.00 C ATOM 565 C PRO A 40 4.123 13.196 9.123 1.00 0.00 C ATOM 566 O PRO A 40 4.937 13.480 10.001 1.00 0.00 O ATOM 567 CB PRO A 40 2.215 14.615 10.024 1.00 0.00 C ATOM 568 CG PRO A 40 2.004 14.329 11.502 1.00 0.00 C ATOM 569 CD PRO A 40 1.938 12.821 11.680 1.00 0.00 C ATOM 0 HA PRO A 40 2.154 13.170 8.420 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.988 15.369 9.879 1.00 0.00 H new ATOM 0 HB3 PRO A 40 1.304 15.000 9.567 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.819 14.748 12.092 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.084 14.796 11.854 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.678 12.475 12.402 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.961 12.508 12.050 1.00 0.00 H new ATOM 577 N GLY A 41 4.445 12.796 7.902 1.00 0.00 N ATOM 578 CA GLY A 41 5.835 12.659 7.502 1.00 0.00 C ATOM 579 C GLY A 41 6.113 11.258 6.953 1.00 0.00 C ATOM 580 O GLY A 41 7.165 11.015 6.364 1.00 0.00 O ATOM 0 H GLY A 41 3.767 12.562 7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.074 13.405 6.744 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.484 12.854 8.356 1.00 0.00 H new ATOM 584 N ASP A 42 5.151 10.373 7.166 1.00 0.00 N ATOM 585 CA ASP A 42 5.278 9.002 6.701 1.00 0.00 C ATOM 586 C ASP A 42 4.220 8.732 5.629 1.00 0.00 C ATOM 587 O ASP A 42 3.457 9.625 5.266 1.00 0.00 O ATOM 588 CB ASP A 42 5.058 8.009 7.844 1.00 0.00 C ATOM 589 CG ASP A 42 6.239 7.856 8.804 1.00 0.00 C ATOM 590 OD1 ASP A 42 7.328 8.355 8.447 1.00 0.00 O ATOM 591 OD2 ASP A 42 6.026 7.244 9.872 1.00 0.00 O ATOM 0 H ASP A 42 4.280 10.578 7.655 1.00 0.00 H new ATOM 0 HA ASP A 42 6.284 8.873 6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.184 8.323 8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.827 7.033 7.418 1.00 0.00 H new ATOM 596 N PHE A 43 4.208 7.495 5.153 1.00 0.00 N ATOM 597 CA PHE A 43 3.257 7.096 4.131 1.00 0.00 C ATOM 598 C PHE A 43 2.796 5.652 4.344 1.00 0.00 C ATOM 599 O PHE A 43 3.502 4.856 4.961 1.00 0.00 O ATOM 600 CB PHE A 43 3.978 7.194 2.785 1.00 0.00 C ATOM 601 CG PHE A 43 4.395 8.617 2.405 1.00 0.00 C ATOM 602 CD1 PHE A 43 3.488 9.467 1.855 1.00 0.00 C ATOM 603 CD2 PHE A 43 5.673 9.030 2.618 1.00 0.00 C ATOM 604 CE1 PHE A 43 3.875 10.787 1.503 1.00 0.00 C ATOM 605 CE2 PHE A 43 6.060 10.350 2.265 1.00 0.00 C ATOM 606 CZ PHE A 43 5.153 11.201 1.715 1.00 0.00 C ATOM 0 H PHE A 43 4.842 6.756 5.457 1.00 0.00 H new ATOM 0 HA PHE A 43 2.378 7.740 4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.865 6.561 2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.327 6.797 2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 43 2.473 9.138 1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 43 6.393 8.355 3.055 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.154 11.463 1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.075 10.678 2.433 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.447 12.205 1.447 1.00 0.00 H new ATOM 616 N VAL A 44 1.614 5.359 3.823 1.00 0.00 N ATOM 617 CA VAL A 44 1.050 4.026 3.948 1.00 0.00 C ATOM 618 C VAL A 44 0.822 3.439 2.554 1.00 0.00 C ATOM 619 O VAL A 44 0.469 4.162 1.623 1.00 0.00 O ATOM 620 CB VAL A 44 -0.225 4.074 4.792 1.00 0.00 C ATOM 621 CG1 VAL A 44 -0.820 2.675 4.968 1.00 0.00 C ATOM 622 CG2 VAL A 44 0.039 4.732 6.148 1.00 0.00 C ATOM 0 H VAL A 44 1.031 6.022 3.313 1.00 0.00 H new ATOM 0 HA VAL A 44 1.744 3.366 4.468 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.955 4.684 4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.725 2.738 5.572 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.064 2.258 3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.095 2.032 5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.884 4.753 6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.794 4.161 6.688 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.395 5.751 5.995 1.00 0.00 H new ATOM 632 N LEU A 45 1.034 2.135 2.453 1.00 0.00 N ATOM 633 CA LEU A 45 0.856 1.444 1.188 1.00 0.00 C ATOM 634 C LEU A 45 -0.211 0.359 1.350 1.00 0.00 C ATOM 635 O LEU A 45 0.038 -0.673 1.970 1.00 0.00 O ATOM 636 CB LEU A 45 2.196 0.916 0.673 1.00 0.00 C ATOM 637 CG LEU A 45 2.124 -0.087 -0.480 1.00 0.00 C ATOM 638 CD1 LEU A 45 1.267 0.455 -1.626 1.00 0.00 C ATOM 639 CD2 LEU A 45 3.524 -0.484 -0.951 1.00 0.00 C ATOM 0 H LEU A 45 1.327 1.539 3.227 1.00 0.00 H new ATOM 0 HA LEU A 45 0.497 2.134 0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.799 1.765 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.723 0.447 1.504 1.00 0.00 H new ATOM 0 HG LEU A 45 1.639 -0.992 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.232 -0.277 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.256 0.646 -1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.701 1.383 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.443 -1.198 -1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.058 0.403 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.070 -0.940 -0.125 1.00 0.00 H new ATOM 651 N SER A 46 -1.377 0.631 0.781 1.00 0.00 N ATOM 652 CA SER A 46 -2.482 -0.309 0.855 1.00 0.00 C ATOM 653 C SER A 46 -2.597 -1.085 -0.458 1.00 0.00 C ATOM 654 O SER A 46 -2.983 -0.525 -1.483 1.00 0.00 O ATOM 655 CB SER A 46 -3.797 0.410 1.164 1.00 0.00 C ATOM 656 OG SER A 46 -3.642 1.389 2.188 1.00 0.00 O ATOM 0 H SER A 46 -1.580 1.489 0.267 1.00 0.00 H new ATOM 0 HA SER A 46 -2.283 -1.009 1.667 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.170 0.888 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.546 -0.320 1.471 1.00 0.00 H new ATOM 0 HG SER A 46 -3.607 0.946 3.061 1.00 0.00 H new ATOM 662 N VAL A 47 -2.256 -2.363 -0.385 1.00 0.00 N ATOM 663 CA VAL A 47 -2.317 -3.222 -1.555 1.00 0.00 C ATOM 664 C VAL A 47 -3.477 -4.208 -1.400 1.00 0.00 C ATOM 665 O VAL A 47 -3.649 -4.807 -0.339 1.00 0.00 O ATOM 666 CB VAL A 47 -0.969 -3.914 -1.767 1.00 0.00 C ATOM 667 CG1 VAL A 47 -1.028 -4.880 -2.952 1.00 0.00 C ATOM 668 CG2 VAL A 47 0.151 -2.888 -1.951 1.00 0.00 C ATOM 0 H VAL A 47 -1.936 -2.825 0.467 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.510 -2.632 -2.451 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.747 -4.496 -0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.057 -5.358 -3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.785 -5.641 -2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.284 -4.330 -3.857 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.098 -3.406 -2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.064 -2.267 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.217 -2.259 -1.064 1.00 0.00 H new ATOM 678 N LEU A 48 -4.242 -4.346 -2.473 1.00 0.00 N ATOM 679 CA LEU A 48 -5.380 -5.249 -2.469 1.00 0.00 C ATOM 680 C LEU A 48 -4.904 -6.665 -2.798 1.00 0.00 C ATOM 681 O LEU A 48 -4.250 -6.883 -3.816 1.00 0.00 O ATOM 682 CB LEU A 48 -6.475 -4.735 -3.406 1.00 0.00 C ATOM 683 CG LEU A 48 -7.903 -5.170 -3.072 1.00 0.00 C ATOM 684 CD1 LEU A 48 -8.313 -4.684 -1.680 1.00 0.00 C ATOM 685 CD2 LEU A 48 -8.884 -4.709 -4.152 1.00 0.00 C ATOM 0 H LEU A 48 -4.096 -3.848 -3.351 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.832 -5.287 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.440 -3.646 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.243 -5.065 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.933 -6.259 -3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.332 -5.007 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.637 -5.103 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.262 -3.596 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.892 -5.031 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.859 -3.622 -4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.601 -5.145 -5.110 1.00 0.00 H new ATOM 697 N SER A 49 -5.251 -7.591 -1.916 1.00 0.00 N ATOM 698 CA SER A 49 -4.867 -8.981 -2.100 1.00 0.00 C ATOM 699 C SER A 49 -5.989 -9.745 -2.805 1.00 0.00 C ATOM 700 O SER A 49 -7.144 -9.321 -2.781 1.00 0.00 O ATOM 701 CB SER A 49 -4.534 -9.642 -0.761 1.00 0.00 C ATOM 702 OG SER A 49 -5.632 -10.390 -0.248 1.00 0.00 O ATOM 0 H SER A 49 -5.794 -7.406 -1.072 1.00 0.00 H new ATOM 0 HA SER A 49 -3.972 -9.009 -2.721 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.674 -10.300 -0.885 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.248 -8.876 -0.040 1.00 0.00 H new ATOM 0 HG SER A 49 -5.513 -10.527 0.715 1.00 0.00 H new ATOM 708 N ASP A 50 -5.611 -10.858 -3.416 1.00 0.00 N ATOM 709 CA ASP A 50 -6.571 -11.685 -4.127 1.00 0.00 C ATOM 710 C ASP A 50 -7.164 -12.714 -3.162 1.00 0.00 C ATOM 711 O ASP A 50 -7.755 -13.704 -3.591 1.00 0.00 O ATOM 712 CB ASP A 50 -5.902 -12.443 -5.275 1.00 0.00 C ATOM 713 CG ASP A 50 -5.209 -13.746 -4.872 1.00 0.00 C ATOM 714 OD1 ASP A 50 -4.839 -13.848 -3.682 1.00 0.00 O ATOM 715 OD2 ASP A 50 -5.065 -14.612 -5.763 1.00 0.00 O ATOM 0 H ASP A 50 -4.653 -11.207 -3.433 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.346 -11.032 -4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -6.656 -12.668 -6.030 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.167 -11.788 -5.744 1.00 0.00 H new ATOM 720 N GLN A 51 -6.984 -12.446 -1.877 1.00 0.00 N ATOM 721 CA GLN A 51 -7.493 -13.336 -0.848 1.00 0.00 C ATOM 722 C GLN A 51 -8.712 -12.714 -0.163 1.00 0.00 C ATOM 723 O GLN A 51 -8.581 -11.747 0.586 1.00 0.00 O ATOM 724 CB GLN A 51 -6.404 -13.674 0.172 1.00 0.00 C ATOM 725 CG GLN A 51 -5.337 -14.580 -0.445 1.00 0.00 C ATOM 726 CD GLN A 51 -5.029 -15.768 0.469 1.00 0.00 C ATOM 727 OE1 GLN A 51 -4.309 -15.661 1.448 1.00 0.00 O ATOM 728 NE2 GLN A 51 -5.614 -16.902 0.096 1.00 0.00 N ATOM 0 H GLN A 51 -6.492 -11.625 -1.525 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.803 -14.267 -1.322 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -5.942 -12.755 0.533 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.850 -14.167 1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.679 -14.942 -1.415 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.427 -14.007 -0.622 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.205 -16.922 -0.735 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.472 -17.752 0.641 1.00 0.00 H new ATOM 737 N PRO A 52 -9.900 -13.309 -0.453 1.00 0.00 N ATOM 738 CA PRO A 52 -11.141 -12.824 0.126 1.00 0.00 C ATOM 739 C PRO A 52 -11.256 -13.231 1.597 1.00 0.00 C ATOM 740 O PRO A 52 -10.412 -13.964 2.109 1.00 0.00 O ATOM 741 CB PRO A 52 -12.239 -13.417 -0.741 1.00 0.00 C ATOM 742 CG PRO A 52 -11.600 -14.579 -1.484 1.00 0.00 C ATOM 743 CD PRO A 52 -10.093 -14.456 -1.336 1.00 0.00 C ATOM 0 HA PRO A 52 -11.203 -11.736 0.135 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -13.077 -13.756 -0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.630 -12.676 -1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.947 -15.529 -1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.883 -14.561 -2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.662 -15.361 -0.909 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.612 -14.298 -2.301 1.00 0.00 H new ATOM 751 N LYS A 53 -12.307 -12.737 2.234 1.00 0.00 N ATOM 752 CA LYS A 53 -12.543 -13.040 3.635 1.00 0.00 C ATOM 753 C LYS A 53 -13.478 -14.246 3.742 1.00 0.00 C ATOM 754 O LYS A 53 -13.242 -15.150 4.541 1.00 0.00 O ATOM 755 CB LYS A 53 -13.053 -11.800 4.373 1.00 0.00 C ATOM 756 CG LYS A 53 -11.987 -10.703 4.404 1.00 0.00 C ATOM 757 CD LYS A 53 -12.619 -9.331 4.645 1.00 0.00 C ATOM 758 CE LYS A 53 -12.623 -8.984 6.135 1.00 0.00 C ATOM 759 NZ LYS A 53 -13.980 -9.150 6.702 1.00 0.00 N ATOM 0 H LYS A 53 -13.005 -12.129 1.806 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.610 -13.315 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.952 -11.425 3.883 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.333 -12.068 5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.263 -10.917 5.190 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.441 -10.695 3.461 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.068 -8.570 4.092 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -13.640 -9.325 4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.920 -9.626 6.666 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -12.287 -7.957 6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.965 -8.910 7.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.643 -8.520 6.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.287 -10.137 6.584 1.00 0.00 H new ATOM 773 N ALA A 54 -14.520 -14.221 2.923 1.00 0.00 N ATOM 774 CA ALA A 54 -15.491 -15.301 2.915 1.00 0.00 C ATOM 775 C ALA A 54 -15.450 -16.008 1.558 1.00 0.00 C ATOM 776 O ALA A 54 -15.779 -17.189 1.460 1.00 0.00 O ATOM 777 CB ALA A 54 -16.878 -14.744 3.240 1.00 0.00 C ATOM 0 H ALA A 54 -14.712 -13.470 2.261 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.249 -16.039 3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.606 -15.555 3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.861 -14.279 4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -17.156 -14.001 2.493 1.00 0.00 H new ATOM 783 N GLY A 55 -15.044 -15.255 0.547 1.00 0.00 N ATOM 784 CA GLY A 55 -14.955 -15.794 -0.799 1.00 0.00 C ATOM 785 C GLY A 55 -15.711 -14.911 -1.794 1.00 0.00 C ATOM 786 O GLY A 55 -15.487 -13.703 -1.853 1.00 0.00 O ATOM 0 H GLY A 55 -14.773 -14.275 0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.909 -15.869 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.365 -16.804 -0.818 1.00 0.00 H new ATOM 790 N PRO A 56 -16.615 -15.565 -2.572 1.00 0.00 N ATOM 791 CA PRO A 56 -17.405 -14.853 -3.562 1.00 0.00 C ATOM 792 C PRO A 56 -18.516 -14.040 -2.894 1.00 0.00 C ATOM 793 O PRO A 56 -19.454 -14.606 -2.335 1.00 0.00 O ATOM 794 CB PRO A 56 -17.935 -15.931 -4.492 1.00 0.00 C ATOM 795 CG PRO A 56 -17.810 -17.240 -3.729 1.00 0.00 C ATOM 796 CD PRO A 56 -16.907 -16.995 -2.531 1.00 0.00 C ATOM 0 HA PRO A 56 -16.821 -14.119 -4.118 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -18.972 -15.736 -4.765 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -17.362 -15.963 -5.419 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -18.790 -17.588 -3.404 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.393 -18.017 -4.369 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.401 -17.271 -1.600 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.994 -17.587 -2.596 1.00 0.00 H new ATOM 804 N GLY A 57 -18.374 -12.725 -2.976 1.00 0.00 N ATOM 805 CA GLY A 57 -19.354 -11.829 -2.386 1.00 0.00 C ATOM 806 C GLY A 57 -18.778 -11.114 -1.162 1.00 0.00 C ATOM 807 O GLY A 57 -19.468 -10.327 -0.516 1.00 0.00 O ATOM 0 H GLY A 57 -17.595 -12.259 -3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -19.671 -11.093 -3.125 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -20.241 -12.394 -2.098 1.00 0.00 H new ATOM 811 N SER A 58 -17.518 -11.415 -0.880 1.00 0.00 N ATOM 812 CA SER A 58 -16.841 -10.811 0.255 1.00 0.00 C ATOM 813 C SER A 58 -15.720 -9.892 -0.233 1.00 0.00 C ATOM 814 O SER A 58 -15.183 -10.086 -1.323 1.00 0.00 O ATOM 815 CB SER A 58 -16.280 -11.881 1.194 1.00 0.00 C ATOM 816 OG SER A 58 -15.328 -12.717 0.543 1.00 0.00 O ATOM 0 H SER A 58 -16.949 -12.069 -1.418 1.00 0.00 H new ATOM 0 HA SER A 58 -17.568 -10.221 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 58 -15.812 -11.400 2.053 1.00 0.00 H new ATOM 0 HB3 SER A 58 -17.097 -12.492 1.577 1.00 0.00 H new ATOM 0 HG SER A 58 -15.584 -12.835 -0.396 1.00 0.00 H new ATOM 822 N PRO A 59 -15.391 -8.884 0.619 1.00 0.00 N ATOM 823 CA PRO A 59 -14.343 -7.935 0.286 1.00 0.00 C ATOM 824 C PRO A 59 -12.959 -8.567 0.444 1.00 0.00 C ATOM 825 O PRO A 59 -12.722 -9.324 1.385 1.00 0.00 O ATOM 826 CB PRO A 59 -14.568 -6.757 1.220 1.00 0.00 C ATOM 827 CG PRO A 59 -15.438 -7.282 2.350 1.00 0.00 C ATOM 828 CD PRO A 59 -16.005 -8.624 1.918 1.00 0.00 C ATOM 0 HA PRO A 59 -14.382 -7.614 -0.755 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -13.621 -6.374 1.601 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -15.058 -5.934 0.700 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -14.853 -7.391 3.263 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -16.243 -6.580 2.569 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -15.760 -9.407 2.636 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -17.092 -8.589 1.843 1.00 0.00 H new ATOM 836 N LEU A 60 -12.081 -8.235 -0.490 1.00 0.00 N ATOM 837 CA LEU A 60 -10.726 -8.761 -0.466 1.00 0.00 C ATOM 838 C LEU A 60 -9.913 -8.016 0.594 1.00 0.00 C ATOM 839 O LEU A 60 -9.849 -6.788 0.582 1.00 0.00 O ATOM 840 CB LEU A 60 -10.107 -8.710 -1.864 1.00 0.00 C ATOM 841 CG LEU A 60 -10.667 -9.705 -2.883 1.00 0.00 C ATOM 842 CD1 LEU A 60 -10.157 -9.394 -4.291 1.00 0.00 C ATOM 843 CD2 LEU A 60 -10.361 -11.146 -2.467 1.00 0.00 C ATOM 0 H LEU A 60 -12.281 -7.608 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.731 -9.814 -0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.237 -7.703 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.034 -8.881 -1.771 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.752 -9.599 -2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.570 -10.116 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.468 -8.389 -4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.069 -9.455 -4.306 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.770 -11.833 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.282 -11.284 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.813 -11.348 -1.496 1.00 0.00 H new ATOM 855 N ARG A 61 -9.312 -8.790 1.485 1.00 0.00 N ATOM 856 CA ARG A 61 -8.506 -8.219 2.550 1.00 0.00 C ATOM 857 C ARG A 61 -7.567 -7.149 1.990 1.00 0.00 C ATOM 858 O ARG A 61 -7.302 -7.118 0.789 1.00 0.00 O ATOM 859 CB ARG A 61 -7.678 -9.297 3.253 1.00 0.00 C ATOM 860 CG ARG A 61 -8.279 -9.649 4.615 1.00 0.00 C ATOM 861 CD ARG A 61 -7.560 -10.847 5.239 1.00 0.00 C ATOM 862 NE ARG A 61 -6.998 -10.470 6.555 1.00 0.00 N ATOM 863 CZ ARG A 61 -7.739 -10.138 7.621 1.00 0.00 C ATOM 864 NH1 ARG A 61 -9.076 -10.132 7.533 1.00 0.00 N ATOM 865 NH2 ARG A 61 -7.143 -9.810 8.776 1.00 0.00 N ATOM 0 H ARG A 61 -9.367 -9.808 1.491 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.185 -7.769 3.274 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.633 -10.190 2.630 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.654 -8.947 3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.207 -8.789 5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.339 -9.876 4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.255 -11.678 5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.763 -11.188 4.578 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.983 -10.462 6.657 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.530 -10.380 6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.639 -9.879 8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.125 -9.813 8.844 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.707 -9.557 9.587 1.00 0.00 H new ATOM 879 N VAL A 62 -7.088 -6.299 2.886 1.00 0.00 N ATOM 880 CA VAL A 62 -6.184 -5.231 2.495 1.00 0.00 C ATOM 881 C VAL A 62 -4.904 -5.321 3.330 1.00 0.00 C ATOM 882 O VAL A 62 -4.939 -5.753 4.481 1.00 0.00 O ATOM 883 CB VAL A 62 -6.887 -3.878 2.623 1.00 0.00 C ATOM 884 CG1 VAL A 62 -5.937 -2.731 2.269 1.00 0.00 C ATOM 885 CG2 VAL A 62 -8.148 -3.832 1.758 1.00 0.00 C ATOM 0 H VAL A 62 -7.309 -6.328 3.881 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.898 -5.336 1.449 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.189 -3.754 3.663 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.461 -1.781 2.368 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.082 -2.746 2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.591 -2.849 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.629 -2.860 1.867 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.879 -3.988 0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.836 -4.615 2.076 1.00 0.00 H new ATOM 895 N THR A 63 -3.806 -4.905 2.717 1.00 0.00 N ATOM 896 CA THR A 63 -2.518 -4.934 3.389 1.00 0.00 C ATOM 897 C THR A 63 -1.879 -3.544 3.375 1.00 0.00 C ATOM 898 O THR A 63 -1.608 -2.991 2.310 1.00 0.00 O ATOM 899 CB THR A 63 -1.657 -6.005 2.716 1.00 0.00 C ATOM 900 OG1 THR A 63 -1.946 -7.193 3.448 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.160 -5.781 2.943 1.00 0.00 C ATOM 0 H THR A 63 -3.781 -4.546 1.763 1.00 0.00 H new ATOM 0 HA THR A 63 -2.626 -5.198 4.441 1.00 0.00 H new ATOM 0 HB THR A 63 -1.863 -6.017 1.646 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.855 -7.971 2.859 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.405 -6.568 2.445 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.129 -4.813 2.534 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.053 -5.802 4.012 1.00 0.00 H new ATOM 909 N HIS A 64 -1.656 -3.018 4.571 1.00 0.00 N ATOM 910 CA HIS A 64 -1.054 -1.704 4.711 1.00 0.00 C ATOM 911 C HIS A 64 0.436 -1.852 5.025 1.00 0.00 C ATOM 912 O HIS A 64 0.804 -2.339 6.093 1.00 0.00 O ATOM 913 CB HIS A 64 -1.800 -0.872 5.756 1.00 0.00 C ATOM 914 CG HIS A 64 -3.285 -0.761 5.506 1.00 0.00 C ATOM 915 ND1 HIS A 64 -3.873 0.375 4.978 1.00 0.00 N ATOM 916 CD2 HIS A 64 -4.294 -1.655 5.717 1.00 0.00 C ATOM 917 CE1 HIS A 64 -5.178 0.163 4.880 1.00 0.00 C ATOM 918 NE2 HIS A 64 -5.436 -1.095 5.339 1.00 0.00 N ATOM 0 H HIS A 64 -1.882 -3.479 5.452 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.139 -1.160 3.770 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -1.639 -1.314 6.739 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.370 0.129 5.782 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.385 1.230 4.710 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.182 -2.650 6.123 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -5.908 0.863 4.503 1.00 0.00 H new ATOM 926 N ILE A 65 1.254 -1.423 4.075 1.00 0.00 N ATOM 927 CA ILE A 65 2.696 -1.502 4.237 1.00 0.00 C ATOM 928 C ILE A 65 3.234 -0.133 4.659 1.00 0.00 C ATOM 929 O ILE A 65 3.536 0.707 3.812 1.00 0.00 O ATOM 930 CB ILE A 65 3.348 -2.055 2.968 1.00 0.00 C ATOM 931 CG1 ILE A 65 2.843 -3.466 2.661 1.00 0.00 C ATOM 932 CG2 ILE A 65 4.874 -2.001 3.068 1.00 0.00 C ATOM 933 CD1 ILE A 65 1.915 -3.464 1.445 1.00 0.00 C ATOM 0 H ILE A 65 0.946 -1.020 3.190 1.00 0.00 H new ATOM 0 HA ILE A 65 2.952 -2.203 5.031 1.00 0.00 H new ATOM 0 HB ILE A 65 3.057 -1.421 2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.690 -4.127 2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.313 -3.863 3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 65 5.313 -2.400 2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.193 -0.968 3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.204 -2.597 3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.570 -4.479 1.249 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.057 -2.822 1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.455 -3.090 0.576 1.00 0.00 H new ATOM 945 N LYS A 66 3.337 0.049 5.967 1.00 0.00 N ATOM 946 CA LYS A 66 3.832 1.302 6.511 1.00 0.00 C ATOM 947 C LYS A 66 5.243 1.562 5.978 1.00 0.00 C ATOM 948 O LYS A 66 6.150 0.760 6.194 1.00 0.00 O ATOM 949 CB LYS A 66 3.744 1.294 8.039 1.00 0.00 C ATOM 950 CG LYS A 66 2.487 2.022 8.519 1.00 0.00 C ATOM 951 CD LYS A 66 2.445 2.095 10.046 1.00 0.00 C ATOM 952 CE LYS A 66 1.012 2.284 10.547 1.00 0.00 C ATOM 953 NZ LYS A 66 0.989 2.402 12.023 1.00 0.00 N ATOM 0 H LYS A 66 3.086 -0.650 6.666 1.00 0.00 H new ATOM 0 HA LYS A 66 3.208 2.133 6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.734 0.266 8.401 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.629 1.772 8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.464 3.029 8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.600 1.505 8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.864 1.182 10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.067 2.921 10.391 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.579 3.178 10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.397 1.440 10.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.009 2.530 12.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.383 1.538 12.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.559 3.222 12.315 1.00 0.00 H new ATOM 967 N VAL A 67 5.383 2.686 5.291 1.00 0.00 N ATOM 968 CA VAL A 67 6.667 3.062 4.725 1.00 0.00 C ATOM 969 C VAL A 67 7.463 3.859 5.761 1.00 0.00 C ATOM 970 O VAL A 67 6.977 4.859 6.287 1.00 0.00 O ATOM 971 CB VAL A 67 6.459 3.825 3.416 1.00 0.00 C ATOM 972 CG1 VAL A 67 7.769 4.448 2.930 1.00 0.00 C ATOM 973 CG2 VAL A 67 5.852 2.918 2.343 1.00 0.00 C ATOM 0 H VAL A 67 4.628 3.349 5.114 1.00 0.00 H new ATOM 0 HA VAL A 67 7.250 2.174 4.479 1.00 0.00 H new ATOM 0 HB VAL A 67 5.755 4.634 3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.593 4.985 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.143 5.142 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.506 3.662 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.714 3.485 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 67 6.521 2.078 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.887 2.544 2.686 1.00 0.00 H new ATOM 983 N MET A 68 8.672 3.385 6.024 1.00 0.00 N ATOM 984 CA MET A 68 9.539 4.041 6.988 1.00 0.00 C ATOM 985 C MET A 68 10.471 5.039 6.297 1.00 0.00 C ATOM 986 O MET A 68 11.347 4.647 5.528 1.00 0.00 O ATOM 987 CB MET A 68 10.372 2.990 7.724 1.00 0.00 C ATOM 988 CG MET A 68 9.616 2.439 8.934 1.00 0.00 C ATOM 989 SD MET A 68 10.327 0.883 9.443 1.00 0.00 S ATOM 990 CE MET A 68 9.326 -0.243 8.486 1.00 0.00 C ATOM 0 H MET A 68 9.072 2.555 5.586 1.00 0.00 H new ATOM 0 HA MET A 68 8.916 4.585 7.697 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.619 2.175 7.044 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.314 3.431 8.049 1.00 0.00 H new ATOM 0 HG2 MET A 68 9.659 3.154 9.756 1.00 0.00 H new ATOM 0 HG3 MET A 68 8.564 2.303 8.684 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.578 -1.270 8.751 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.272 -0.062 8.697 1.00 0.00 H new ATOM 0 HE3 MET A 68 9.516 -0.086 7.424 1.00 0.00 H new ATOM 1000 N CYS A 69 10.250 6.311 6.597 1.00 0.00 N ATOM 1001 CA CYS A 69 11.059 7.368 6.014 1.00 0.00 C ATOM 1002 C CYS A 69 12.069 7.834 7.064 1.00 0.00 C ATOM 1003 O CYS A 69 11.765 8.699 7.883 1.00 0.00 O ATOM 1004 CB CYS A 69 10.196 8.523 5.501 1.00 0.00 C ATOM 1005 SG CYS A 69 11.261 9.916 4.978 1.00 0.00 S ATOM 0 H CYS A 69 9.523 6.633 7.236 1.00 0.00 H new ATOM 0 HA CYS A 69 11.591 6.984 5.144 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.585 8.187 4.663 1.00 0.00 H new ATOM 0 HB3 CYS A 69 9.511 8.852 6.283 1.00 0.00 H new ATOM 0 HG CYS A 69 10.518 10.890 4.542 1.00 0.00 H new ATOM 1011 N GLU A 70 13.252 7.239 7.006 1.00 0.00 N ATOM 1012 CA GLU A 70 14.309 7.581 7.942 1.00 0.00 C ATOM 1013 C GLU A 70 15.600 7.908 7.188 1.00 0.00 C ATOM 1014 O GLU A 70 16.026 7.146 6.321 1.00 0.00 O ATOM 1015 CB GLU A 70 14.534 6.455 8.951 1.00 0.00 C ATOM 1016 CG GLU A 70 13.206 5.964 9.531 1.00 0.00 C ATOM 1017 CD GLU A 70 13.292 5.816 11.051 1.00 0.00 C ATOM 1018 OE1 GLU A 70 13.763 6.781 11.690 1.00 0.00 O ATOM 1019 OE2 GLU A 70 12.884 4.740 11.540 1.00 0.00 O ATOM 0 H GLU A 70 13.501 6.522 6.325 1.00 0.00 H new ATOM 0 HA GLU A 70 14.002 8.466 8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.052 5.627 8.467 1.00 0.00 H new ATOM 0 HB3 GLU A 70 15.178 6.807 9.756 1.00 0.00 H new ATOM 0 HG2 GLU A 70 12.412 6.665 9.275 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.942 5.006 9.083 1.00 0.00 H new ATOM 1026 N GLY A 71 16.186 9.041 7.545 1.00 0.00 N ATOM 1027 CA GLY A 71 17.419 9.478 6.913 1.00 0.00 C ATOM 1028 C GLY A 71 17.207 9.742 5.421 1.00 0.00 C ATOM 1029 O GLY A 71 18.114 9.537 4.615 1.00 0.00 O ATOM 0 H GLY A 71 15.830 9.670 8.264 1.00 0.00 H new ATOM 0 HA2 GLY A 71 17.779 10.385 7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.189 8.718 7.046 1.00 0.00 H new ATOM 1033 N GLY A 72 16.004 10.194 5.098 1.00 0.00 N ATOM 1034 CA GLY A 72 15.661 10.488 3.717 1.00 0.00 C ATOM 1035 C GLY A 72 15.605 9.208 2.881 1.00 0.00 C ATOM 1036 O GLY A 72 15.775 9.249 1.663 1.00 0.00 O ATOM 0 H GLY A 72 15.255 10.364 5.769 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.697 10.994 3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.397 11.171 3.293 1.00 0.00 H new ATOM 1040 N ARG A 73 15.366 8.101 3.568 1.00 0.00 N ATOM 1041 CA ARG A 73 15.285 6.811 2.904 1.00 0.00 C ATOM 1042 C ARG A 73 13.964 6.120 3.246 1.00 0.00 C ATOM 1043 O ARG A 73 13.524 6.147 4.394 1.00 0.00 O ATOM 1044 CB ARG A 73 16.448 5.905 3.316 1.00 0.00 C ATOM 1045 CG ARG A 73 17.745 6.331 2.626 1.00 0.00 C ATOM 1046 CD ARG A 73 18.899 5.401 3.007 1.00 0.00 C ATOM 1047 NE ARG A 73 19.698 5.068 1.806 1.00 0.00 N ATOM 1048 CZ ARG A 73 20.766 4.258 1.816 1.00 0.00 C ATOM 1049 NH1 ARG A 73 21.169 3.694 2.962 1.00 0.00 N ATOM 1050 NH2 ARG A 73 21.430 4.013 0.678 1.00 0.00 N ATOM 0 H ARG A 73 15.226 8.070 4.578 1.00 0.00 H new ATOM 0 HA ARG A 73 15.339 6.987 1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 73 16.578 5.943 4.398 1.00 0.00 H new ATOM 0 HB3 ARG A 73 16.217 4.871 3.059 1.00 0.00 H new ATOM 0 HG2 ARG A 73 17.606 6.321 1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 73 17.991 7.355 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 73 19.532 5.880 3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.508 4.489 3.458 1.00 0.00 H new ATOM 0 HE ARG A 73 19.419 5.480 0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 73 20.663 3.881 3.828 1.00 0.00 H new ATOM 0 HH12 ARG A 73 21.982 3.078 2.969 1.00 0.00 H new ATOM 0 HH21 ARG A 73 21.123 4.443 -0.194 1.00 0.00 H new ATOM 0 HH22 ARG A 73 22.243 3.397 0.684 1.00 0.00 H new ATOM 1064 N TYR A 74 13.367 5.516 2.228 1.00 0.00 N ATOM 1065 CA TYR A 74 12.105 4.819 2.406 1.00 0.00 C ATOM 1066 C TYR A 74 12.319 3.306 2.472 1.00 0.00 C ATOM 1067 O TYR A 74 13.088 2.750 1.690 1.00 0.00 O ATOM 1068 CB TYR A 74 11.263 5.151 1.173 1.00 0.00 C ATOM 1069 CG TYR A 74 10.777 6.601 1.122 1.00 0.00 C ATOM 1070 CD1 TYR A 74 9.929 7.079 2.100 1.00 0.00 C ATOM 1071 CD2 TYR A 74 11.187 7.430 0.098 1.00 0.00 C ATOM 1072 CE1 TYR A 74 9.472 8.444 2.052 1.00 0.00 C ATOM 1073 CE2 TYR A 74 10.730 8.795 0.050 1.00 0.00 C ATOM 1074 CZ TYR A 74 9.895 9.234 1.029 1.00 0.00 C ATOM 1075 OH TYR A 74 9.463 10.523 0.984 1.00 0.00 O ATOM 0 H TYR A 74 13.735 5.495 1.277 1.00 0.00 H new ATOM 0 HA TYR A 74 11.624 5.126 3.335 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.850 4.944 0.278 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.398 4.488 1.147 1.00 0.00 H new ATOM 0 HD1 TYR A 74 9.608 6.430 2.901 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.850 7.055 -0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 74 8.809 8.831 2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.043 9.455 -0.746 1.00 0.00 H new ATOM 0 HH TYR A 74 9.846 10.969 0.200 1.00 0.00 H new ATOM 1085 N THR A 75 11.625 2.683 3.413 1.00 0.00 N ATOM 1086 CA THR A 75 11.729 1.244 3.591 1.00 0.00 C ATOM 1087 C THR A 75 10.466 0.697 4.258 1.00 0.00 C ATOM 1088 O THR A 75 9.844 1.377 5.072 1.00 0.00 O ATOM 1089 CB THR A 75 13.007 0.957 4.382 1.00 0.00 C ATOM 1090 OG1 THR A 75 12.862 -0.399 4.794 1.00 0.00 O ATOM 1091 CG2 THR A 75 13.072 1.741 5.694 1.00 0.00 C ATOM 0 H THR A 75 10.988 3.148 4.060 1.00 0.00 H new ATOM 0 HA THR A 75 11.801 0.731 2.632 1.00 0.00 H new ATOM 0 HB THR A 75 13.876 1.201 3.770 1.00 0.00 H new ATOM 0 HG1 THR A 75 13.743 -0.826 4.830 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.998 1.501 6.216 1.00 0.00 H new ATOM 0 HG22 THR A 75 13.042 2.810 5.481 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.222 1.472 6.321 1.00 0.00 H new ATOM 1099 N VAL A 76 10.123 -0.529 3.887 1.00 0.00 N ATOM 1100 CA VAL A 76 8.945 -1.176 4.439 1.00 0.00 C ATOM 1101 C VAL A 76 9.349 -2.005 5.659 1.00 0.00 C ATOM 1102 O VAL A 76 8.533 -2.742 6.211 1.00 0.00 O ATOM 1103 CB VAL A 76 8.248 -2.004 3.357 1.00 0.00 C ATOM 1104 CG1 VAL A 76 8.152 -1.223 2.045 1.00 0.00 C ATOM 1105 CG2 VAL A 76 8.959 -3.342 3.148 1.00 0.00 C ATOM 0 H VAL A 76 10.641 -1.091 3.211 1.00 0.00 H new ATOM 0 HA VAL A 76 8.223 -0.432 4.776 1.00 0.00 H new ATOM 0 HB VAL A 76 7.234 -2.213 3.697 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.653 -1.834 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.581 -0.309 2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.154 -0.969 1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.444 -3.911 2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 76 9.989 -3.162 2.841 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.951 -3.908 4.080 1.00 0.00 H new ATOM 1115 N GLY A 77 10.608 -1.857 6.046 1.00 0.00 N ATOM 1116 CA GLY A 77 11.129 -2.583 7.191 1.00 0.00 C ATOM 1117 C GLY A 77 12.233 -3.555 6.768 1.00 0.00 C ATOM 1118 O GLY A 77 12.611 -4.441 7.532 1.00 0.00 O ATOM 0 H GLY A 77 11.282 -1.245 5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 77 11.521 -1.879 7.925 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.322 -3.132 7.676 1.00 0.00 H new ATOM 1122 N GLY A 78 12.718 -3.355 5.551 1.00 0.00 N ATOM 1123 CA GLY A 78 13.770 -4.203 5.017 1.00 0.00 C ATOM 1124 C GLY A 78 15.091 -3.438 4.914 1.00 0.00 C ATOM 1125 O GLY A 78 15.144 -2.243 5.199 1.00 0.00 O ATOM 0 H GLY A 78 12.402 -2.618 4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 78 13.900 -5.075 5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.481 -4.571 4.033 1.00 0.00 H new ATOM 1129 N LEU A 79 16.126 -4.159 4.507 1.00 0.00 N ATOM 1130 CA LEU A 79 17.443 -3.563 4.364 1.00 0.00 C ATOM 1131 C LEU A 79 17.435 -2.597 3.177 1.00 0.00 C ATOM 1132 O LEU A 79 18.059 -1.538 3.230 1.00 0.00 O ATOM 1133 CB LEU A 79 18.515 -4.651 4.264 1.00 0.00 C ATOM 1134 CG LEU A 79 19.080 -5.160 5.591 1.00 0.00 C ATOM 1135 CD1 LEU A 79 18.064 -6.045 6.316 1.00 0.00 C ATOM 1136 CD2 LEU A 79 20.416 -5.875 5.380 1.00 0.00 C ATOM 0 H LEU A 79 16.079 -5.150 4.272 1.00 0.00 H new ATOM 0 HA LEU A 79 17.695 -2.979 5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.095 -5.498 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.340 -4.266 3.664 1.00 0.00 H new ATOM 0 HG LEU A 79 19.273 -4.300 6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 79 18.491 -6.394 7.256 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.160 -5.470 6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 79 17.816 -6.902 5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 79 20.796 -6.227 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 79 20.272 -6.725 4.713 1.00 0.00 H new ATOM 0 HD23 LEU A 79 21.133 -5.183 4.938 1.00 0.00 H new ATOM 1148 N GLU A 80 16.721 -2.996 2.135 1.00 0.00 N ATOM 1149 CA GLU A 80 16.623 -2.179 0.938 1.00 0.00 C ATOM 1150 C GLU A 80 15.895 -0.870 1.247 1.00 0.00 C ATOM 1151 O GLU A 80 14.965 -0.848 2.052 1.00 0.00 O ATOM 1152 CB GLU A 80 15.926 -2.941 -0.191 1.00 0.00 C ATOM 1153 CG GLU A 80 16.766 -4.136 -0.646 1.00 0.00 C ATOM 1154 CD GLU A 80 15.874 -5.271 -1.156 1.00 0.00 C ATOM 1155 OE1 GLU A 80 15.198 -5.887 -0.304 1.00 0.00 O ATOM 1156 OE2 GLU A 80 15.890 -5.495 -2.385 1.00 0.00 O ATOM 0 H GLU A 80 16.205 -3.875 2.095 1.00 0.00 H new ATOM 0 HA GLU A 80 17.632 -1.940 0.601 1.00 0.00 H new ATOM 0 HB2 GLU A 80 14.949 -3.286 0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.753 -2.272 -1.034 1.00 0.00 H new ATOM 0 HG2 GLU A 80 17.451 -3.824 -1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.376 -4.493 0.184 1.00 0.00 H new ATOM 1163 N THR A 81 16.344 0.190 0.591 1.00 0.00 N ATOM 1164 CA THR A 81 15.746 1.500 0.786 1.00 0.00 C ATOM 1165 C THR A 81 15.551 2.202 -0.560 1.00 0.00 C ATOM 1166 O THR A 81 15.837 1.630 -1.610 1.00 0.00 O ATOM 1167 CB THR A 81 16.631 2.284 1.757 1.00 0.00 C ATOM 1168 OG1 THR A 81 17.959 1.929 1.380 1.00 0.00 O ATOM 1169 CG2 THR A 81 16.507 1.783 3.197 1.00 0.00 C ATOM 0 H THR A 81 17.115 0.168 -0.076 1.00 0.00 H new ATOM 0 HA THR A 81 14.751 1.420 1.223 1.00 0.00 H new ATOM 0 HB THR A 81 16.367 3.341 1.716 1.00 0.00 H new ATOM 0 HG1 THR A 81 18.599 2.395 1.958 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.155 2.373 3.845 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.474 1.883 3.529 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.803 0.735 3.244 1.00 0.00 H new ATOM 1177 N PHE A 82 15.064 3.432 -0.484 1.00 0.00 N ATOM 1178 CA PHE A 82 14.827 4.219 -1.682 1.00 0.00 C ATOM 1179 C PHE A 82 14.844 5.716 -1.368 1.00 0.00 C ATOM 1180 O PHE A 82 14.750 6.111 -0.207 1.00 0.00 O ATOM 1181 CB PHE A 82 13.440 3.835 -2.201 1.00 0.00 C ATOM 1182 CG PHE A 82 13.185 2.327 -2.240 1.00 0.00 C ATOM 1183 CD1 PHE A 82 13.550 1.603 -3.332 1.00 0.00 C ATOM 1184 CD2 PHE A 82 12.594 1.709 -1.182 1.00 0.00 C ATOM 1185 CE1 PHE A 82 13.313 0.203 -3.368 1.00 0.00 C ATOM 1186 CE2 PHE A 82 12.358 0.310 -1.218 1.00 0.00 C ATOM 1187 CZ PHE A 82 12.722 -0.414 -2.310 1.00 0.00 C ATOM 0 H PHE A 82 14.827 3.903 0.389 1.00 0.00 H new ATOM 0 HA PHE A 82 15.607 4.021 -2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.685 4.304 -1.571 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.314 4.240 -3.205 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.020 2.093 -4.172 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.304 2.283 -0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.602 -0.371 -4.236 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.889 -0.180 -0.378 1.00 0.00 H new ATOM 0 HZ PHE A 82 12.542 -1.479 -2.337 1.00 0.00 H new ATOM 1197 N ASP A 83 14.966 6.508 -2.423 1.00 0.00 N ATOM 1198 CA ASP A 83 14.997 7.953 -2.275 1.00 0.00 C ATOM 1199 C ASP A 83 13.597 8.518 -2.527 1.00 0.00 C ATOM 1200 O ASP A 83 13.174 9.459 -1.857 1.00 0.00 O ATOM 1201 CB ASP A 83 15.953 8.590 -3.285 1.00 0.00 C ATOM 1202 CG ASP A 83 17.381 8.044 -3.257 1.00 0.00 C ATOM 1203 OD1 ASP A 83 17.548 6.869 -3.652 1.00 0.00 O ATOM 1204 OD2 ASP A 83 18.275 8.813 -2.843 1.00 0.00 O ATOM 0 H ASP A 83 15.045 6.176 -3.384 1.00 0.00 H new ATOM 0 HA ASP A 83 15.336 8.181 -1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 83 15.546 8.449 -4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.987 9.664 -3.103 1.00 0.00 H new ATOM 1209 N SER A 84 12.918 7.919 -3.494 1.00 0.00 N ATOM 1210 CA SER A 84 11.575 8.350 -3.842 1.00 0.00 C ATOM 1211 C SER A 84 10.609 7.166 -3.767 1.00 0.00 C ATOM 1212 O SER A 84 10.989 6.031 -4.050 1.00 0.00 O ATOM 1213 CB SER A 84 11.542 8.974 -5.239 1.00 0.00 C ATOM 1214 OG SER A 84 12.368 8.266 -6.160 1.00 0.00 O ATOM 0 H SER A 84 13.273 7.139 -4.047 1.00 0.00 H new ATOM 0 HA SER A 84 11.264 9.110 -3.126 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.516 8.985 -5.607 1.00 0.00 H new ATOM 0 HB3 SER A 84 11.871 10.012 -5.180 1.00 0.00 H new ATOM 0 HG SER A 84 12.318 8.694 -7.040 1.00 0.00 H new ATOM 1220 N LEU A 85 9.378 7.472 -3.384 1.00 0.00 N ATOM 1221 CA LEU A 85 8.354 6.447 -3.268 1.00 0.00 C ATOM 1222 C LEU A 85 8.228 5.705 -4.600 1.00 0.00 C ATOM 1223 O LEU A 85 7.834 4.540 -4.631 1.00 0.00 O ATOM 1224 CB LEU A 85 7.040 7.055 -2.776 1.00 0.00 C ATOM 1225 CG LEU A 85 6.756 6.918 -1.279 1.00 0.00 C ATOM 1226 CD1 LEU A 85 6.273 5.507 -0.940 1.00 0.00 C ATOM 1227 CD2 LEU A 85 7.977 7.320 -0.450 1.00 0.00 C ATOM 0 H LEU A 85 9.067 8.415 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 85 8.637 5.709 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.035 8.115 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.220 6.591 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 85 5.951 7.605 -1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.078 5.436 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.357 5.294 -1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.039 4.784 -1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.748 7.213 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.819 6.676 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.236 8.357 -0.663 1.00 0.00 H new ATOM 1239 N THR A 86 8.569 6.410 -5.668 1.00 0.00 N ATOM 1240 CA THR A 86 8.499 5.833 -7.000 1.00 0.00 C ATOM 1241 C THR A 86 9.486 4.671 -7.131 1.00 0.00 C ATOM 1242 O THR A 86 9.120 3.591 -7.592 1.00 0.00 O ATOM 1243 CB THR A 86 8.742 6.953 -8.014 1.00 0.00 C ATOM 1244 OG1 THR A 86 7.617 7.815 -7.856 1.00 0.00 O ATOM 1245 CG2 THR A 86 8.637 6.466 -9.461 1.00 0.00 C ATOM 0 H THR A 86 8.895 7.376 -5.638 1.00 0.00 H new ATOM 0 HA THR A 86 7.515 5.406 -7.194 1.00 0.00 H new ATOM 0 HB THR A 86 9.728 7.386 -7.847 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.799 7.278 -7.803 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.818 7.300 -10.140 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.379 5.687 -9.637 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.639 6.064 -9.638 1.00 0.00 H new ATOM 1253 N ASP A 87 10.717 4.933 -6.717 1.00 0.00 N ATOM 1254 CA ASP A 87 11.759 3.922 -6.782 1.00 0.00 C ATOM 1255 C ASP A 87 11.445 2.808 -5.781 1.00 0.00 C ATOM 1256 O ASP A 87 12.011 1.719 -5.862 1.00 0.00 O ATOM 1257 CB ASP A 87 13.123 4.513 -6.419 1.00 0.00 C ATOM 1258 CG ASP A 87 14.202 4.351 -7.491 1.00 0.00 C ATOM 1259 OD1 ASP A 87 13.866 4.574 -8.674 1.00 0.00 O ATOM 1260 OD2 ASP A 87 15.340 4.008 -7.103 1.00 0.00 O ATOM 0 H ASP A 87 11.016 5.830 -6.335 1.00 0.00 H new ATOM 0 HA ASP A 87 11.793 3.537 -7.801 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.998 5.575 -6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 87 13.472 4.044 -5.499 1.00 0.00 H new ATOM 1265 N LEU A 88 10.545 3.119 -4.860 1.00 0.00 N ATOM 1266 CA LEU A 88 10.150 2.158 -3.844 1.00 0.00 C ATOM 1267 C LEU A 88 9.043 1.261 -4.401 1.00 0.00 C ATOM 1268 O LEU A 88 9.148 0.036 -4.350 1.00 0.00 O ATOM 1269 CB LEU A 88 9.767 2.875 -2.548 1.00 0.00 C ATOM 1270 CG LEU A 88 9.111 2.008 -1.471 1.00 0.00 C ATOM 1271 CD1 LEU A 88 9.301 2.622 -0.083 1.00 0.00 C ATOM 1272 CD2 LEU A 88 7.636 1.759 -1.791 1.00 0.00 C ATOM 0 H LEU A 88 10.078 4.023 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 88 10.987 1.510 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.665 3.326 -2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.087 3.690 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 88 9.607 1.037 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.826 1.987 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.366 2.705 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.847 3.613 -0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.194 1.140 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.109 2.712 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.553 1.247 -2.750 1.00 0.00 H new ATOM 1284 N VAL A 89 8.008 1.905 -4.920 1.00 0.00 N ATOM 1285 CA VAL A 89 6.883 1.180 -5.485 1.00 0.00 C ATOM 1286 C VAL A 89 7.339 0.440 -6.744 1.00 0.00 C ATOM 1287 O VAL A 89 6.920 -0.690 -6.991 1.00 0.00 O ATOM 1288 CB VAL A 89 5.719 2.139 -5.745 1.00 0.00 C ATOM 1289 CG1 VAL A 89 4.719 1.534 -6.731 1.00 0.00 C ATOM 1290 CG2 VAL A 89 5.031 2.532 -4.436 1.00 0.00 C ATOM 0 H VAL A 89 7.925 2.921 -4.961 1.00 0.00 H new ATOM 0 HA VAL A 89 6.519 0.432 -4.781 1.00 0.00 H new ATOM 0 HB VAL A 89 6.125 3.045 -6.195 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.902 2.236 -6.898 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.220 1.329 -7.677 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.321 0.605 -6.322 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.208 3.214 -4.648 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.645 1.638 -3.945 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.750 3.024 -3.781 1.00 0.00 H new ATOM 1300 N GLU A 90 8.193 1.107 -7.508 1.00 0.00 N ATOM 1301 CA GLU A 90 8.710 0.527 -8.735 1.00 0.00 C ATOM 1302 C GLU A 90 9.624 -0.658 -8.417 1.00 0.00 C ATOM 1303 O GLU A 90 10.012 -1.405 -9.315 1.00 0.00 O ATOM 1304 CB GLU A 90 9.445 1.577 -9.570 1.00 0.00 C ATOM 1305 CG GLU A 90 8.457 2.523 -10.256 1.00 0.00 C ATOM 1306 CD GLU A 90 8.840 2.749 -11.720 1.00 0.00 C ATOM 1307 OE1 GLU A 90 9.961 3.257 -11.941 1.00 0.00 O ATOM 1308 OE2 GLU A 90 8.004 2.409 -12.584 1.00 0.00 O ATOM 0 H GLU A 90 8.539 2.044 -7.300 1.00 0.00 H new ATOM 0 HA GLU A 90 7.869 0.164 -9.326 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.118 2.149 -8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.062 1.083 -10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.451 2.107 -10.200 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.437 3.478 -9.730 1.00 0.00 H new ATOM 1315 N HIS A 91 9.941 -0.794 -7.138 1.00 0.00 N ATOM 1316 CA HIS A 91 10.801 -1.876 -6.691 1.00 0.00 C ATOM 1317 C HIS A 91 9.951 -3.102 -6.352 1.00 0.00 C ATOM 1318 O HIS A 91 10.153 -4.177 -6.913 1.00 0.00 O ATOM 1319 CB HIS A 91 11.682 -1.424 -5.524 1.00 0.00 C ATOM 1320 CG HIS A 91 12.457 -2.543 -4.870 1.00 0.00 C ATOM 1321 ND1 HIS A 91 13.682 -2.981 -5.341 1.00 0.00 N ATOM 1322 CD2 HIS A 91 12.169 -3.306 -3.777 1.00 0.00 C ATOM 1323 CE1 HIS A 91 14.103 -3.965 -4.560 1.00 0.00 C ATOM 1324 NE2 HIS A 91 13.163 -4.165 -3.591 1.00 0.00 N ATOM 0 H HIS A 91 9.617 -0.172 -6.397 1.00 0.00 H new ATOM 0 HA HIS A 91 11.481 -2.160 -7.495 1.00 0.00 H new ATOM 0 HB2 HIS A 91 12.384 -0.671 -5.882 1.00 0.00 H new ATOM 0 HB3 HIS A 91 11.055 -0.943 -4.773 1.00 0.00 H new ATOM 0 HD2 HIS A 91 11.282 -3.225 -3.166 1.00 0.00 H new ATOM 0 HE1 HIS A 91 15.027 -4.512 -4.671 1.00 0.00 H new ATOM 0 HE2 HIS A 91 13.216 -4.860 -2.847 1.00 0.00 H new ATOM 1332 N PHE A 92 9.016 -2.898 -5.435 1.00 0.00 N ATOM 1333 CA PHE A 92 8.134 -3.973 -5.014 1.00 0.00 C ATOM 1334 C PHE A 92 7.071 -4.258 -6.077 1.00 0.00 C ATOM 1335 O PHE A 92 6.315 -5.221 -5.961 1.00 0.00 O ATOM 1336 CB PHE A 92 7.442 -3.508 -3.731 1.00 0.00 C ATOM 1337 CG PHE A 92 8.383 -3.372 -2.531 1.00 0.00 C ATOM 1338 CD1 PHE A 92 8.772 -4.479 -1.844 1.00 0.00 C ATOM 1339 CD2 PHE A 92 8.829 -2.144 -2.153 1.00 0.00 C ATOM 1340 CE1 PHE A 92 9.644 -4.353 -0.731 1.00 0.00 C ATOM 1341 CE2 PHE A 92 9.702 -2.019 -1.040 1.00 0.00 C ATOM 1342 CZ PHE A 92 10.091 -3.126 -0.352 1.00 0.00 C ATOM 0 H PHE A 92 8.850 -2.004 -4.972 1.00 0.00 H new ATOM 0 HA PHE A 92 8.709 -4.886 -4.859 1.00 0.00 H new ATOM 0 HB2 PHE A 92 6.964 -2.546 -3.916 1.00 0.00 H new ATOM 0 HB3 PHE A 92 6.650 -4.214 -3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.418 -5.454 -2.145 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.520 -1.265 -2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 92 9.953 -5.232 -0.185 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.057 -1.044 -0.740 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.754 -3.030 0.495 1.00 0.00 H new ATOM 1352 N LYS A 93 7.048 -3.403 -7.089 1.00 0.00 N ATOM 1353 CA LYS A 93 6.091 -3.551 -8.172 1.00 0.00 C ATOM 1354 C LYS A 93 6.354 -4.870 -8.903 1.00 0.00 C ATOM 1355 O LYS A 93 5.514 -5.335 -9.672 1.00 0.00 O ATOM 1356 CB LYS A 93 6.123 -2.325 -9.087 1.00 0.00 C ATOM 1357 CG LYS A 93 4.898 -1.438 -8.856 1.00 0.00 C ATOM 1358 CD LYS A 93 4.856 -0.288 -9.865 1.00 0.00 C ATOM 1359 CE LYS A 93 4.044 -0.674 -11.103 1.00 0.00 C ATOM 1360 NZ LYS A 93 2.690 -0.080 -11.040 1.00 0.00 N ATOM 0 H LYS A 93 7.677 -2.605 -7.182 1.00 0.00 H new ATOM 0 HA LYS A 93 5.076 -3.600 -7.778 1.00 0.00 H new ATOM 0 HB2 LYS A 93 7.032 -1.752 -8.902 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.154 -2.645 -10.129 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.990 -2.035 -8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.921 -1.037 -7.843 1.00 0.00 H new ATOM 0 HD2 LYS A 93 4.417 0.594 -9.398 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.871 -0.021 -10.160 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.556 -0.332 -12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.969 -1.759 -11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.999 -0.749 -11.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.447 0.126 -10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.672 0.802 -11.591 1.00 0.00 H new ATOM 1374 N LYS A 94 7.522 -5.435 -8.635 1.00 0.00 N ATOM 1375 CA LYS A 94 7.905 -6.691 -9.257 1.00 0.00 C ATOM 1376 C LYS A 94 8.132 -7.745 -8.172 1.00 0.00 C ATOM 1377 O LYS A 94 7.420 -8.746 -8.115 1.00 0.00 O ATOM 1378 CB LYS A 94 9.110 -6.487 -10.178 1.00 0.00 C ATOM 1379 CG LYS A 94 9.842 -5.186 -9.843 1.00 0.00 C ATOM 1380 CD LYS A 94 11.016 -4.956 -10.796 1.00 0.00 C ATOM 1381 CE LYS A 94 11.132 -3.478 -11.177 1.00 0.00 C ATOM 1382 NZ LYS A 94 12.175 -3.289 -12.209 1.00 0.00 N ATOM 0 H LYS A 94 8.215 -5.046 -7.996 1.00 0.00 H new ATOM 0 HA LYS A 94 7.103 -7.059 -9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 94 9.795 -7.329 -10.079 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.779 -6.465 -11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.148 -4.348 -9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 94 10.205 -5.223 -8.816 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.941 -5.288 -10.325 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.882 -5.558 -11.695 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.174 -3.116 -11.550 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.374 -2.887 -10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.240 -2.281 -12.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.091 -3.615 -11.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.928 -3.838 -13.057 1.00 0.00 H new ATOM 1396 N THR A 95 9.127 -7.483 -7.336 1.00 0.00 N ATOM 1397 CA THR A 95 9.456 -8.396 -6.255 1.00 0.00 C ATOM 1398 C THR A 95 8.209 -8.717 -5.429 1.00 0.00 C ATOM 1399 O THR A 95 7.989 -9.866 -5.052 1.00 0.00 O ATOM 1400 CB THR A 95 10.585 -7.769 -5.434 1.00 0.00 C ATOM 1401 OG1 THR A 95 9.987 -6.617 -4.846 1.00 0.00 O ATOM 1402 CG2 THR A 95 11.703 -7.202 -6.312 1.00 0.00 C ATOM 0 H THR A 95 9.716 -6.651 -7.386 1.00 0.00 H new ATOM 0 HA THR A 95 9.807 -9.354 -6.639 1.00 0.00 H new ATOM 0 HB THR A 95 10.999 -8.516 -4.757 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.649 -6.150 -4.294 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.478 -6.769 -5.680 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.132 -8.001 -6.916 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.296 -6.431 -6.966 1.00 0.00 H new ATOM 1410 N GLY A 96 7.426 -7.679 -5.172 1.00 0.00 N ATOM 1411 CA GLY A 96 6.207 -7.836 -4.397 1.00 0.00 C ATOM 1412 C GLY A 96 6.494 -7.739 -2.897 1.00 0.00 C ATOM 1413 O GLY A 96 7.628 -7.484 -2.494 1.00 0.00 O ATOM 0 H GLY A 96 7.612 -6.727 -5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.488 -7.068 -4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.751 -8.800 -4.622 1.00 0.00 H new ATOM 1417 N ILE A 97 5.448 -7.948 -2.112 1.00 0.00 N ATOM 1418 CA ILE A 97 5.573 -7.888 -0.666 1.00 0.00 C ATOM 1419 C ILE A 97 5.140 -9.226 -0.064 1.00 0.00 C ATOM 1420 O ILE A 97 4.360 -9.959 -0.670 1.00 0.00 O ATOM 1421 CB ILE A 97 4.805 -6.686 -0.111 1.00 0.00 C ATOM 1422 CG1 ILE A 97 5.402 -5.372 -0.619 1.00 0.00 C ATOM 1423 CG2 ILE A 97 4.741 -6.735 1.417 1.00 0.00 C ATOM 1424 CD1 ILE A 97 4.302 -4.405 -1.061 1.00 0.00 C ATOM 0 H ILE A 97 4.509 -8.159 -2.450 1.00 0.00 H new ATOM 0 HA ILE A 97 6.613 -7.732 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 97 3.780 -6.736 -0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.001 -4.912 0.167 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.073 -5.572 -1.455 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.190 -5.870 1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.235 -7.648 1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.752 -6.722 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.753 -3.479 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.720 -4.858 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.648 -4.188 -0.217 1.00 0.00 H new ATOM 1436 N GLU A 98 5.663 -9.503 1.121 1.00 0.00 N ATOM 1437 CA GLU A 98 5.340 -10.740 1.811 1.00 0.00 C ATOM 1438 C GLU A 98 4.539 -10.446 3.080 1.00 0.00 C ATOM 1439 O GLU A 98 4.909 -9.573 3.864 1.00 0.00 O ATOM 1440 CB GLU A 98 6.607 -11.535 2.134 1.00 0.00 C ATOM 1441 CG GLU A 98 6.272 -12.804 2.920 1.00 0.00 C ATOM 1442 CD GLU A 98 7.479 -13.281 3.731 1.00 0.00 C ATOM 1443 OE1 GLU A 98 8.474 -13.679 3.088 1.00 0.00 O ATOM 1444 OE2 GLU A 98 7.379 -13.236 4.976 1.00 0.00 O ATOM 0 H GLU A 98 6.308 -8.892 1.621 1.00 0.00 H new ATOM 0 HA GLU A 98 4.726 -11.352 1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 98 7.120 -11.800 1.209 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.292 -10.915 2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.433 -12.611 3.589 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.958 -13.589 2.233 1.00 0.00 H new ATOM 1451 N GLU A 99 3.455 -11.191 3.244 1.00 0.00 N ATOM 1452 CA GLU A 99 2.598 -11.021 4.405 1.00 0.00 C ATOM 1453 C GLU A 99 3.173 -11.778 5.604 1.00 0.00 C ATOM 1454 O GLU A 99 4.204 -12.438 5.490 1.00 0.00 O ATOM 1455 CB GLU A 99 1.169 -11.476 4.103 1.00 0.00 C ATOM 1456 CG GLU A 99 0.418 -10.421 3.289 1.00 0.00 C ATOM 1457 CD GLU A 99 -1.083 -10.469 3.581 1.00 0.00 C ATOM 1458 OE1 GLU A 99 -1.440 -10.237 4.756 1.00 0.00 O ATOM 1459 OE2 GLU A 99 -1.840 -10.737 2.622 1.00 0.00 O ATOM 0 H GLU A 99 3.151 -11.914 2.592 1.00 0.00 H new ATOM 0 HA GLU A 99 2.561 -9.960 4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 99 1.192 -12.417 3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.639 -11.665 5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 99 0.806 -9.430 3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.591 -10.586 2.226 1.00 0.00 H new ATOM 1466 N ALA A 100 2.480 -11.656 6.727 1.00 0.00 N ATOM 1467 CA ALA A 100 2.908 -12.320 7.946 1.00 0.00 C ATOM 1468 C ALA A 100 2.296 -13.721 8.001 1.00 0.00 C ATOM 1469 O ALA A 100 2.732 -14.563 8.784 1.00 0.00 O ATOM 1470 CB ALA A 100 2.521 -11.467 9.156 1.00 0.00 C ATOM 0 H ALA A 100 1.625 -11.107 6.818 1.00 0.00 H new ATOM 0 HA ALA A 100 3.992 -12.433 7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.842 -11.966 10.070 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.005 -10.493 9.084 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.439 -11.334 9.176 1.00 0.00 H new ATOM 1476 N SER A 101 1.294 -13.928 7.159 1.00 0.00 N ATOM 1477 CA SER A 101 0.617 -15.212 7.102 1.00 0.00 C ATOM 1478 C SER A 101 1.424 -16.191 6.247 1.00 0.00 C ATOM 1479 O SER A 101 1.167 -17.394 6.266 1.00 0.00 O ATOM 1480 CB SER A 101 -0.800 -15.063 6.543 1.00 0.00 C ATOM 1481 OG SER A 101 -0.796 -14.796 5.143 1.00 0.00 O ATOM 0 H SER A 101 0.935 -13.227 6.510 1.00 0.00 H new ATOM 0 HA SER A 101 0.539 -15.603 8.116 1.00 0.00 H new ATOM 0 HB2 SER A 101 -1.364 -15.976 6.736 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.313 -14.255 7.065 1.00 0.00 H new ATOM 0 HG SER A 101 -1.719 -14.709 4.824 1.00 0.00 H new ATOM 1487 N GLY A 102 2.384 -15.640 5.519 1.00 0.00 N ATOM 1488 CA GLY A 102 3.231 -16.450 4.660 1.00 0.00 C ATOM 1489 C GLY A 102 2.928 -16.184 3.184 1.00 0.00 C ATOM 1490 O GLY A 102 3.754 -16.466 2.317 1.00 0.00 O ATOM 0 H GLY A 102 2.594 -14.642 5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.279 -16.231 4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.077 -17.506 4.882 1.00 0.00 H new ATOM 1494 N ALA A 103 1.742 -15.646 2.944 1.00 0.00 N ATOM 1495 CA ALA A 103 1.320 -15.339 1.588 1.00 0.00 C ATOM 1496 C ALA A 103 2.037 -14.075 1.109 1.00 0.00 C ATOM 1497 O ALA A 103 2.420 -13.230 1.917 1.00 0.00 O ATOM 1498 CB ALA A 103 -0.203 -15.195 1.547 1.00 0.00 C ATOM 0 H ALA A 103 1.059 -15.415 3.666 1.00 0.00 H new ATOM 0 HA ALA A 103 1.590 -16.149 0.910 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.519 -14.965 0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.665 -16.128 1.868 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.510 -14.389 2.214 1.00 0.00 H new ATOM 1504 N PHE A 104 2.199 -13.986 -0.203 1.00 0.00 N ATOM 1505 CA PHE A 104 2.864 -12.840 -0.800 1.00 0.00 C ATOM 1506 C PHE A 104 1.874 -11.981 -1.588 1.00 0.00 C ATOM 1507 O PHE A 104 0.848 -12.476 -2.051 1.00 0.00 O ATOM 1508 CB PHE A 104 3.923 -13.387 -1.759 1.00 0.00 C ATOM 1509 CG PHE A 104 5.322 -13.491 -1.148 1.00 0.00 C ATOM 1510 CD1 PHE A 104 5.606 -14.485 -0.264 1.00 0.00 C ATOM 1511 CD2 PHE A 104 6.281 -12.590 -1.489 1.00 0.00 C ATOM 1512 CE1 PHE A 104 6.904 -14.582 0.303 1.00 0.00 C ATOM 1513 CE2 PHE A 104 7.580 -12.686 -0.921 1.00 0.00 C ATOM 1514 CZ PHE A 104 7.864 -13.680 -0.038 1.00 0.00 C ATOM 0 H PHE A 104 1.881 -14.689 -0.870 1.00 0.00 H new ATOM 0 HA PHE A 104 3.304 -12.217 -0.021 1.00 0.00 H new ATOM 0 HB2 PHE A 104 3.613 -14.374 -2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 104 3.969 -12.744 -2.638 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.844 -15.201 0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.056 -11.801 -2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 104 7.129 -15.371 1.005 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.342 -11.969 -1.191 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.852 -13.754 0.393 1.00 0.00 H new ATOM 1524 N VAL A 105 2.216 -10.707 -1.716 1.00 0.00 N ATOM 1525 CA VAL A 105 1.370 -9.774 -2.440 1.00 0.00 C ATOM 1526 C VAL A 105 2.198 -9.074 -3.520 1.00 0.00 C ATOM 1527 O VAL A 105 3.405 -8.899 -3.365 1.00 0.00 O ATOM 1528 CB VAL A 105 0.713 -8.797 -1.463 1.00 0.00 C ATOM 1529 CG1 VAL A 105 -0.080 -7.723 -2.212 1.00 0.00 C ATOM 1530 CG2 VAL A 105 -0.177 -9.537 -0.462 1.00 0.00 C ATOM 0 H VAL A 105 3.068 -10.299 -1.330 1.00 0.00 H new ATOM 0 HA VAL A 105 0.561 -10.303 -2.943 1.00 0.00 H new ATOM 0 HB VAL A 105 1.505 -8.300 -0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.537 -7.041 -1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.590 -7.165 -2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.859 -8.196 -2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -0.632 -8.819 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.960 -10.074 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.425 -10.246 0.106 1.00 0.00 H new ATOM 1540 N TYR A 106 1.515 -8.693 -4.590 1.00 0.00 N ATOM 1541 CA TYR A 106 2.173 -8.016 -5.695 1.00 0.00 C ATOM 1542 C TYR A 106 1.343 -6.826 -6.180 1.00 0.00 C ATOM 1543 O TYR A 106 0.115 -6.847 -6.102 1.00 0.00 O ATOM 1544 CB TYR A 106 2.272 -9.047 -6.821 1.00 0.00 C ATOM 1545 CG TYR A 106 2.812 -10.407 -6.374 1.00 0.00 C ATOM 1546 CD1 TYR A 106 4.173 -10.637 -6.357 1.00 0.00 C ATOM 1547 CD2 TYR A 106 1.939 -11.403 -5.989 1.00 0.00 C ATOM 1548 CE1 TYR A 106 4.681 -11.917 -5.937 1.00 0.00 C ATOM 1549 CE2 TYR A 106 2.447 -12.683 -5.569 1.00 0.00 C ATOM 1550 CZ TYR A 106 3.793 -12.877 -5.563 1.00 0.00 C ATOM 1551 OH TYR A 106 4.273 -14.086 -5.166 1.00 0.00 O ATOM 0 H TYR A 106 0.513 -8.840 -4.715 1.00 0.00 H new ATOM 0 HA TYR A 106 3.148 -7.637 -5.388 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.284 -9.186 -7.260 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.917 -8.652 -7.606 1.00 0.00 H new ATOM 0 HD1 TYR A 106 4.856 -9.857 -6.659 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.874 -11.223 -6.003 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.743 -12.111 -5.919 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.774 -13.471 -5.266 1.00 0.00 H new ATOM 0 HH TYR A 106 3.525 -14.672 -4.927 1.00 0.00 H new ATOM 1561 N LEU A 107 2.046 -5.816 -6.670 1.00 0.00 N ATOM 1562 CA LEU A 107 1.389 -4.619 -7.169 1.00 0.00 C ATOM 1563 C LEU A 107 1.312 -4.683 -8.695 1.00 0.00 C ATOM 1564 O LEU A 107 2.184 -4.159 -9.387 1.00 0.00 O ATOM 1565 CB LEU A 107 2.089 -3.365 -6.640 1.00 0.00 C ATOM 1566 CG LEU A 107 2.496 -3.395 -5.165 1.00 0.00 C ATOM 1567 CD1 LEU A 107 3.676 -4.343 -4.942 1.00 0.00 C ATOM 1568 CD2 LEU A 107 2.788 -1.985 -4.648 1.00 0.00 C ATOM 0 H LEU A 107 3.064 -5.801 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 107 0.365 -4.564 -6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 107 2.983 -3.192 -7.239 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.430 -2.511 -6.797 1.00 0.00 H new ATOM 0 HG LEU A 107 1.657 -3.782 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.946 -4.346 -3.886 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.396 -5.351 -5.248 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.528 -4.008 -5.533 1.00 0.00 H new ATOM 0 HD21 LEU A 107 3.075 -2.035 -3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.602 -1.547 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.896 -1.367 -4.752 1.00 0.00 H new ATOM 1580 N ARG A 108 0.260 -5.329 -9.176 1.00 0.00 N ATOM 1581 CA ARG A 108 0.058 -5.468 -10.608 1.00 0.00 C ATOM 1582 C ARG A 108 -0.303 -4.116 -11.227 1.00 0.00 C ATOM 1583 O ARG A 108 0.226 -3.747 -12.274 1.00 0.00 O ATOM 1584 CB ARG A 108 -1.054 -6.473 -10.912 1.00 0.00 C ATOM 1585 CG ARG A 108 -0.668 -7.877 -10.443 1.00 0.00 C ATOM 1586 CD ARG A 108 -1.663 -8.920 -10.954 1.00 0.00 C ATOM 1587 NE ARG A 108 -1.525 -9.076 -12.420 1.00 0.00 N ATOM 1588 CZ ARG A 108 -2.221 -8.367 -13.319 1.00 0.00 C ATOM 1589 NH1 ARG A 108 -3.108 -7.450 -12.909 1.00 0.00 N ATOM 1590 NH2 ARG A 108 -2.030 -8.575 -14.629 1.00 0.00 N ATOM 0 H ARG A 108 -0.461 -5.762 -8.599 1.00 0.00 H new ATOM 0 HA ARG A 108 0.990 -5.832 -11.040 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.975 -6.162 -10.419 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.254 -6.486 -11.983 1.00 0.00 H new ATOM 0 HG2 ARG A 108 0.333 -8.120 -10.798 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.635 -7.904 -9.354 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.487 -9.876 -10.460 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.680 -8.616 -10.706 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.859 -9.766 -12.767 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -3.254 -7.291 -11.912 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -3.637 -6.911 -13.594 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -1.355 -9.273 -14.941 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.560 -8.035 -15.314 1.00 0.00 H new ATOM 1604 N GLN A 109 -1.202 -3.414 -10.553 1.00 0.00 N ATOM 1605 CA GLN A 109 -1.640 -2.110 -11.023 1.00 0.00 C ATOM 1606 C GLN A 109 -2.050 -1.230 -9.841 1.00 0.00 C ATOM 1607 O GLN A 109 -2.567 -1.727 -8.842 1.00 0.00 O ATOM 1608 CB GLN A 109 -2.785 -2.247 -12.029 1.00 0.00 C ATOM 1609 CG GLN A 109 -4.113 -2.510 -11.315 1.00 0.00 C ATOM 1610 CD GLN A 109 -4.773 -3.787 -11.839 1.00 0.00 C ATOM 1611 OE1 GLN A 109 -5.310 -3.835 -12.934 1.00 0.00 O ATOM 1612 NE2 GLN A 109 -4.704 -4.816 -10.999 1.00 0.00 N ATOM 0 H GLN A 109 -1.639 -3.723 -9.685 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.806 -1.630 -11.535 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.862 -1.337 -12.624 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.571 -3.063 -12.720 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -3.942 -2.599 -10.242 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.783 -1.663 -11.462 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.240 -4.708 -10.097 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.115 -5.713 -11.257 1.00 0.00 H new ATOM 1621 N PRO A 110 -1.799 0.097 -9.999 1.00 0.00 N ATOM 1622 CA PRO A 110 -2.136 1.052 -8.957 1.00 0.00 C ATOM 1623 C PRO A 110 -3.644 1.308 -8.915 1.00 0.00 C ATOM 1624 O PRO A 110 -4.405 0.674 -9.644 1.00 0.00 O ATOM 1625 CB PRO A 110 -1.331 2.298 -9.289 1.00 0.00 C ATOM 1626 CG PRO A 110 -0.936 2.161 -10.750 1.00 0.00 C ATOM 1627 CD PRO A 110 -1.189 0.722 -11.169 1.00 0.00 C ATOM 0 HA PRO A 110 -1.890 0.690 -7.959 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -1.922 3.200 -9.127 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.450 2.375 -8.652 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.516 2.846 -11.368 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.114 2.419 -10.887 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.850 0.672 -12.034 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.261 0.222 -11.447 1.00 0.00 H new ATOM 1635 N TYR A 111 -4.030 2.237 -8.053 1.00 0.00 N ATOM 1636 CA TYR A 111 -5.434 2.584 -7.906 1.00 0.00 C ATOM 1637 C TYR A 111 -5.663 4.071 -8.185 1.00 0.00 C ATOM 1638 O TYR A 111 -4.861 4.913 -7.781 1.00 0.00 O ATOM 1639 CB TYR A 111 -5.791 2.290 -6.448 1.00 0.00 C ATOM 1640 CG TYR A 111 -7.235 2.635 -6.079 1.00 0.00 C ATOM 1641 CD1 TYR A 111 -8.278 1.925 -6.638 1.00 0.00 C ATOM 1642 CD2 TYR A 111 -7.494 3.655 -5.187 1.00 0.00 C ATOM 1643 CE1 TYR A 111 -9.637 2.250 -6.291 1.00 0.00 C ATOM 1644 CE2 TYR A 111 -8.853 3.980 -4.840 1.00 0.00 C ATOM 1645 CZ TYR A 111 -9.858 3.261 -5.409 1.00 0.00 C ATOM 1646 OH TYR A 111 -11.142 3.568 -5.081 1.00 0.00 O ATOM 0 H TYR A 111 -3.396 2.760 -7.449 1.00 0.00 H new ATOM 0 HA TYR A 111 -6.045 2.017 -8.608 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -5.619 1.232 -6.249 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -5.117 2.850 -5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -8.075 1.126 -7.336 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -6.677 4.210 -4.749 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -10.463 1.703 -6.722 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -9.070 4.777 -4.144 1.00 0.00 H new ATOM 0 HH TYR A 111 -11.661 2.742 -4.983 1.00 0.00 H new ATOM 1656 N TYR A 112 -6.761 4.350 -8.872 1.00 0.00 N ATOM 1657 CA TYR A 112 -7.105 5.721 -9.209 1.00 0.00 C ATOM 1658 C TYR A 112 -8.466 6.104 -8.623 1.00 0.00 C ATOM 1659 O TYR A 112 -9.311 5.241 -8.392 1.00 0.00 O ATOM 1660 CB TYR A 112 -7.188 5.772 -10.736 1.00 0.00 C ATOM 1661 CG TYR A 112 -5.890 5.379 -11.443 1.00 0.00 C ATOM 1662 CD1 TYR A 112 -5.469 4.064 -11.433 1.00 0.00 C ATOM 1663 CD2 TYR A 112 -5.139 6.339 -12.090 1.00 0.00 C ATOM 1664 CE1 TYR A 112 -4.247 3.694 -12.099 1.00 0.00 C ATOM 1665 CE2 TYR A 112 -3.916 5.969 -12.756 1.00 0.00 C ATOM 1666 CZ TYR A 112 -3.531 4.665 -12.727 1.00 0.00 C ATOM 1667 OH TYR A 112 -2.377 4.315 -13.356 1.00 0.00 O ATOM 0 H TYR A 112 -7.424 3.650 -9.204 1.00 0.00 H new ATOM 0 HA TYR A 112 -6.364 6.413 -8.807 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -7.986 5.108 -11.069 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -7.465 6.781 -11.041 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -6.056 3.313 -10.926 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -5.468 7.368 -12.097 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -3.907 2.669 -12.100 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -3.319 6.710 -13.266 1.00 0.00 H new ATOM 0 HH TYR A 112 -1.972 5.110 -13.762 1.00 0.00 H new ATOM 1677 N SER A 113 -8.634 7.399 -8.399 1.00 0.00 N ATOM 1678 CA SER A 113 -9.877 7.907 -7.844 1.00 0.00 C ATOM 1679 C SER A 113 -10.522 8.893 -8.821 1.00 0.00 C ATOM 1680 O SER A 113 -9.835 9.721 -9.416 1.00 0.00 O ATOM 1681 CB SER A 113 -9.642 8.579 -6.490 1.00 0.00 C ATOM 1682 OG SER A 113 -9.078 9.880 -6.630 1.00 0.00 O ATOM 0 H SER A 113 -7.930 8.112 -8.592 1.00 0.00 H new ATOM 0 HA SER A 113 -10.551 7.065 -7.689 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.587 8.650 -5.952 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.978 7.959 -5.888 1.00 0.00 H new ATOM 0 HG SER A 113 -8.945 10.276 -5.743 1.00 0.00 H new ATOM 1688 N GLY A 114 -11.834 8.770 -8.956 1.00 0.00 N ATOM 1689 CA GLY A 114 -12.579 9.639 -9.850 1.00 0.00 C ATOM 1690 C GLY A 114 -14.078 9.584 -9.547 1.00 0.00 C ATOM 1691 O GLY A 114 -14.563 8.609 -8.976 1.00 0.00 O ATOM 0 H GLY A 114 -12.400 8.081 -8.461 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -12.221 10.664 -9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -12.402 9.341 -10.883 1.00 0.00 H new ATOM 1695 N PRO A 115 -14.787 10.671 -9.952 1.00 0.00 N ATOM 1696 CA PRO A 115 -16.220 10.756 -9.730 1.00 0.00 C ATOM 1697 C PRO A 115 -16.980 9.853 -10.704 1.00 0.00 C ATOM 1698 O PRO A 115 -17.702 8.950 -10.285 1.00 0.00 O ATOM 1699 CB PRO A 115 -16.558 12.228 -9.897 1.00 0.00 C ATOM 1700 CG PRO A 115 -15.394 12.839 -10.660 1.00 0.00 C ATOM 1701 CD PRO A 115 -14.245 11.845 -10.631 1.00 0.00 C ATOM 0 HA PRO A 115 -16.514 10.404 -8.741 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -17.493 12.355 -10.443 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -16.687 12.711 -8.929 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -15.684 13.058 -11.688 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -15.093 13.783 -10.206 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -13.908 11.600 -11.638 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -13.385 12.249 -10.097 1.00 0.00 H new ATOM 1709 N SER A 116 -16.792 10.130 -11.986 1.00 0.00 N ATOM 1710 CA SER A 116 -17.451 9.355 -13.023 1.00 0.00 C ATOM 1711 C SER A 116 -16.407 8.712 -13.939 1.00 0.00 C ATOM 1712 O SER A 116 -16.395 7.495 -14.114 1.00 0.00 O ATOM 1713 CB SER A 116 -18.408 10.226 -13.839 1.00 0.00 C ATOM 1714 OG SER A 116 -19.705 9.646 -13.939 1.00 0.00 O ATOM 0 H SER A 116 -16.193 10.880 -12.330 1.00 0.00 H new ATOM 0 HA SER A 116 -18.037 8.571 -12.543 1.00 0.00 H new ATOM 0 HB2 SER A 116 -18.486 11.210 -13.377 1.00 0.00 H new ATOM 0 HB3 SER A 116 -18.000 10.375 -14.839 1.00 0.00 H new ATOM 0 HG SER A 116 -20.286 10.233 -14.466 1.00 0.00 H new ATOM 1720 N SER A 117 -15.557 9.560 -14.500 1.00 0.00 N ATOM 1721 CA SER A 117 -14.512 9.090 -15.394 1.00 0.00 C ATOM 1722 C SER A 117 -15.132 8.544 -16.682 1.00 0.00 C ATOM 1723 O SER A 117 -15.818 7.523 -16.661 1.00 0.00 O ATOM 1724 CB SER A 117 -13.654 8.017 -14.722 1.00 0.00 C ATOM 1725 OG SER A 117 -12.420 8.544 -14.241 1.00 0.00 O ATOM 0 H SER A 117 -15.571 10.569 -14.353 1.00 0.00 H new ATOM 0 HA SER A 117 -13.866 9.933 -15.638 1.00 0.00 H new ATOM 0 HB2 SER A 117 -14.208 7.577 -13.893 1.00 0.00 H new ATOM 0 HB3 SER A 117 -13.453 7.215 -15.433 1.00 0.00 H new ATOM 0 HG SER A 117 -11.902 7.828 -13.817 1.00 0.00 H new ATOM 1731 N GLY A 118 -14.867 9.248 -17.773 1.00 0.00 N ATOM 1732 CA GLY A 118 -15.390 8.847 -19.068 1.00 0.00 C ATOM 1733 C GLY A 118 -15.502 10.047 -20.010 1.00 0.00 C ATOM 1734 O GLY A 118 -14.498 10.523 -20.536 1.00 0.00 O ATOM 0 H GLY A 118 -14.297 10.094 -17.787 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -14.738 8.093 -19.510 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -16.370 8.387 -18.942 1.00 0.00 H new TER 1738 GLY A 118