USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 722 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 22 THR OG1 : rot 180:sc= -0.586 USER MOD Set 1.2: A 74 ASN : amide:sc=-0.00861 X(o=-0.6,f=-0.59) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.123 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 1.25 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 SER OG : rot 180:sc= -0.0411 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.356 K(o=-0.36,f=-2.8!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 57:sc= 1.12 USER MOD Single : A 43 MET CE :methyl -178:sc= -0.491 (180deg=-0.501) USER MOD Single : A 45 MET CE :methyl 165:sc= -0.363 (180deg=-1.74) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 169:sc= 0 (180deg=-0.109) USER MOD Single : A 52 HIS : no HE2:sc= -3! C(o=-3!,f=-9.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -117:sc=-0.00916 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 132:sc= 0.343 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-3.8!) USER MOD Single : A 77 THR OG1 : rot -97:sc= 0.9 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.0196 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.713 -15.473 -5.287 1.00 0.00 N ATOM 2 CA GLY A 1 8.466 -14.251 -5.519 1.00 0.00 C ATOM 3 C GLY A 1 9.138 -14.274 -6.894 1.00 0.00 C ATOM 4 O GLY A 1 8.962 -15.221 -7.659 1.00 0.00 O ATOM 0 H1 GLY A 1 6.695 -15.268 -5.335 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.959 -16.176 -6.013 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.946 -15.851 -4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.800 -13.391 -5.450 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.222 -14.132 -4.743 1.00 0.00 H new ATOM 8 N SER A 2 9.892 -13.219 -7.165 1.00 0.00 N ATOM 9 CA SER A 2 10.591 -13.106 -8.434 1.00 0.00 C ATOM 10 C SER A 2 11.483 -11.862 -8.431 1.00 0.00 C ATOM 11 O SER A 2 11.060 -10.790 -8.859 1.00 0.00 O ATOM 12 CB SER A 2 9.605 -13.048 -9.603 1.00 0.00 C ATOM 13 OG SER A 2 9.258 -14.348 -10.072 1.00 0.00 O ATOM 0 H SER A 2 10.034 -12.435 -6.528 1.00 0.00 H new ATOM 0 HA SER A 2 11.213 -13.992 -8.562 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.703 -12.522 -9.291 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.043 -12.473 -10.419 1.00 0.00 H new ATOM 0 HG SER A 2 9.221 -14.970 -9.315 1.00 0.00 H new ATOM 19 N SER A 3 12.701 -12.048 -7.943 1.00 0.00 N ATOM 20 CA SER A 3 13.656 -10.955 -7.879 1.00 0.00 C ATOM 21 C SER A 3 13.300 -10.017 -6.724 1.00 0.00 C ATOM 22 O SER A 3 14.084 -9.851 -5.790 1.00 0.00 O ATOM 23 CB SER A 3 13.698 -10.181 -9.198 1.00 0.00 C ATOM 24 OG SER A 3 15.017 -9.752 -9.524 1.00 0.00 O ATOM 0 H SER A 3 13.048 -12.939 -7.588 1.00 0.00 H new ATOM 0 HA SER A 3 14.646 -11.376 -7.705 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.313 -10.811 -10.000 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.041 -9.314 -9.130 1.00 0.00 H new ATOM 0 HG SER A 3 15.002 -9.263 -10.373 1.00 0.00 H new ATOM 30 N GLY A 4 12.118 -9.427 -6.825 1.00 0.00 N ATOM 31 CA GLY A 4 11.649 -8.510 -5.801 1.00 0.00 C ATOM 32 C GLY A 4 11.904 -7.057 -6.207 1.00 0.00 C ATOM 33 O GLY A 4 11.393 -6.595 -7.226 1.00 0.00 O ATOM 0 H GLY A 4 11.471 -9.567 -7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.583 -8.662 -5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.154 -8.722 -4.859 1.00 0.00 H new ATOM 37 N SER A 5 12.694 -6.377 -5.390 1.00 0.00 N ATOM 38 CA SER A 5 13.024 -4.987 -5.651 1.00 0.00 C ATOM 39 C SER A 5 14.150 -4.901 -6.683 1.00 0.00 C ATOM 40 O SER A 5 15.218 -5.480 -6.490 1.00 0.00 O ATOM 41 CB SER A 5 13.426 -4.264 -4.364 1.00 0.00 C ATOM 42 OG SER A 5 14.016 -2.994 -4.627 1.00 0.00 O ATOM 0 H SER A 5 13.116 -6.764 -4.546 1.00 0.00 H new ATOM 0 HA SER A 5 12.137 -4.495 -6.049 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.547 -4.132 -3.733 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.129 -4.882 -3.806 1.00 0.00 H new ATOM 0 HG SER A 5 14.257 -2.564 -3.780 1.00 0.00 H new ATOM 48 N SER A 6 13.874 -4.173 -7.755 1.00 0.00 N ATOM 49 CA SER A 6 14.851 -4.004 -8.817 1.00 0.00 C ATOM 50 C SER A 6 15.277 -2.537 -8.907 1.00 0.00 C ATOM 51 O SER A 6 16.463 -2.225 -8.814 1.00 0.00 O ATOM 52 CB SER A 6 14.292 -4.479 -10.160 1.00 0.00 C ATOM 53 OG SER A 6 12.940 -4.071 -10.350 1.00 0.00 O ATOM 0 H SER A 6 12.987 -3.693 -7.911 1.00 0.00 H new ATOM 0 HA SER A 6 15.723 -4.615 -8.581 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.907 -4.084 -10.969 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.354 -5.566 -10.214 1.00 0.00 H new ATOM 0 HG SER A 6 12.620 -4.392 -11.219 1.00 0.00 H new ATOM 59 N GLY A 7 14.286 -1.677 -9.088 1.00 0.00 N ATOM 60 CA GLY A 7 14.543 -0.250 -9.192 1.00 0.00 C ATOM 61 C GLY A 7 14.997 0.324 -7.849 1.00 0.00 C ATOM 62 O GLY A 7 14.179 0.558 -6.961 1.00 0.00 O ATOM 0 H GLY A 7 13.304 -1.940 -9.165 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.308 -0.069 -9.947 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.640 0.263 -9.524 1.00 0.00 H new ATOM 66 N VAL A 8 16.301 0.535 -7.743 1.00 0.00 N ATOM 67 CA VAL A 8 16.874 1.078 -6.523 1.00 0.00 C ATOM 68 C VAL A 8 17.094 2.582 -6.693 1.00 0.00 C ATOM 69 O VAL A 8 17.390 3.050 -7.792 1.00 0.00 O ATOM 70 CB VAL A 8 18.157 0.323 -6.166 1.00 0.00 C ATOM 71 CG1 VAL A 8 19.251 0.580 -7.205 1.00 0.00 C ATOM 72 CG2 VAL A 8 18.637 0.692 -4.761 1.00 0.00 C ATOM 0 H VAL A 8 16.977 0.340 -8.482 1.00 0.00 H new ATOM 0 HA VAL A 8 16.189 0.942 -5.686 1.00 0.00 H new ATOM 0 HB VAL A 8 17.932 -0.743 -6.173 1.00 0.00 H new ATOM 0 HG11 VAL A 8 20.152 0.032 -6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.909 0.245 -8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 8 19.472 1.647 -7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 8 19.550 0.142 -4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.837 1.762 -4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.867 0.435 -4.034 1.00 0.00 H new ATOM 82 N SER A 9 16.941 3.299 -5.589 1.00 0.00 N ATOM 83 CA SER A 9 17.118 4.741 -5.603 1.00 0.00 C ATOM 84 C SER A 9 17.122 5.281 -4.171 1.00 0.00 C ATOM 85 O SER A 9 18.091 5.906 -3.742 1.00 0.00 O ATOM 86 CB SER A 9 16.023 5.423 -6.424 1.00 0.00 C ATOM 87 OG SER A 9 14.719 5.011 -6.023 1.00 0.00 O ATOM 0 H SER A 9 16.696 2.908 -4.679 1.00 0.00 H new ATOM 0 HA SER A 9 18.077 4.963 -6.072 1.00 0.00 H new ATOM 0 HB2 SER A 9 16.110 6.504 -6.317 1.00 0.00 H new ATOM 0 HB3 SER A 9 16.166 5.194 -7.480 1.00 0.00 H new ATOM 0 HG SER A 9 14.048 5.470 -6.570 1.00 0.00 H new ATOM 93 N SER A 10 16.028 5.020 -3.471 1.00 0.00 N ATOM 94 CA SER A 10 15.893 5.472 -2.097 1.00 0.00 C ATOM 95 C SER A 10 15.854 7.001 -2.050 1.00 0.00 C ATOM 96 O SER A 10 16.872 7.644 -1.796 1.00 0.00 O ATOM 97 CB SER A 10 17.037 4.944 -1.228 1.00 0.00 C ATOM 98 OG SER A 10 16.871 5.294 0.143 1.00 0.00 O ATOM 0 H SER A 10 15.227 4.501 -3.830 1.00 0.00 H new ATOM 0 HA SER A 10 14.958 5.078 -1.698 1.00 0.00 H new ATOM 0 HB2 SER A 10 17.092 3.859 -1.321 1.00 0.00 H new ATOM 0 HB3 SER A 10 17.983 5.344 -1.592 1.00 0.00 H new ATOM 0 HG SER A 10 17.620 4.938 0.665 1.00 0.00 H new ATOM 104 N GLN A 11 14.670 7.539 -2.300 1.00 0.00 N ATOM 105 CA GLN A 11 14.485 8.980 -2.290 1.00 0.00 C ATOM 106 C GLN A 11 13.521 9.384 -1.172 1.00 0.00 C ATOM 107 O GLN A 11 12.704 8.577 -0.730 1.00 0.00 O ATOM 108 CB GLN A 11 13.989 9.479 -3.648 1.00 0.00 C ATOM 109 CG GLN A 11 15.163 9.803 -4.575 1.00 0.00 C ATOM 110 CD GLN A 11 14.809 10.946 -5.529 1.00 0.00 C ATOM 111 OE1 GLN A 11 14.040 10.793 -6.463 1.00 0.00 O ATOM 112 NE2 GLN A 11 15.412 12.096 -5.243 1.00 0.00 N ATOM 0 H GLN A 11 13.828 7.003 -2.511 1.00 0.00 H new ATOM 0 HA GLN A 11 15.450 9.449 -2.098 1.00 0.00 H new ATOM 0 HB2 GLN A 11 13.356 8.721 -4.109 1.00 0.00 H new ATOM 0 HB3 GLN A 11 13.374 10.368 -3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.035 10.077 -3.981 1.00 0.00 H new ATOM 0 HG3 GLN A 11 15.434 8.916 -5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 11 16.045 12.155 -4.445 1.00 0.00 H new ATOM 0 HE22 GLN A 11 15.242 12.919 -5.821 1.00 0.00 H new ATOM 121 N GLU A 12 13.647 10.632 -0.748 1.00 0.00 N ATOM 122 CA GLU A 12 12.796 11.153 0.309 1.00 0.00 C ATOM 123 C GLU A 12 11.323 11.021 -0.082 1.00 0.00 C ATOM 124 O GLU A 12 10.950 11.309 -1.218 1.00 0.00 O ATOM 125 CB GLU A 12 13.150 12.606 0.632 1.00 0.00 C ATOM 126 CG GLU A 12 13.165 13.462 -0.636 1.00 0.00 C ATOM 127 CD GLU A 12 12.258 14.685 -0.483 1.00 0.00 C ATOM 128 OE1 GLU A 12 12.773 15.716 0.001 1.00 0.00 O ATOM 129 OE2 GLU A 12 11.071 14.561 -0.853 1.00 0.00 O ATOM 0 H GLU A 12 14.325 11.298 -1.117 1.00 0.00 H new ATOM 0 HA GLU A 12 12.967 10.564 1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 12 12.427 13.011 1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.127 12.647 1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.184 13.785 -0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 12 12.836 12.865 -1.486 1.00 0.00 H new ATOM 136 N THR A 13 10.525 10.586 0.882 1.00 0.00 N ATOM 137 CA THR A 13 9.101 10.413 0.653 1.00 0.00 C ATOM 138 C THR A 13 8.307 10.830 1.893 1.00 0.00 C ATOM 139 O THR A 13 8.691 10.512 3.017 1.00 0.00 O ATOM 140 CB THR A 13 8.862 8.959 0.240 1.00 0.00 C ATOM 141 OG1 THR A 13 9.283 8.912 -1.121 1.00 0.00 O ATOM 142 CG2 THR A 13 7.375 8.604 0.181 1.00 0.00 C ATOM 0 H THR A 13 10.838 10.348 1.823 1.00 0.00 H new ATOM 0 HA THR A 13 8.749 11.057 -0.152 1.00 0.00 H new ATOM 0 HB THR A 13 9.367 8.295 0.942 1.00 0.00 H new ATOM 0 HG1 THR A 13 9.164 8.004 -1.469 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.261 7.562 -0.117 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.926 8.752 1.163 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.876 9.245 -0.546 1.00 0.00 H new ATOM 150 N GLN A 14 7.213 11.536 1.646 1.00 0.00 N ATOM 151 CA GLN A 14 6.362 12.000 2.728 1.00 0.00 C ATOM 152 C GLN A 14 4.930 12.203 2.227 1.00 0.00 C ATOM 153 O GLN A 14 4.388 13.304 2.315 1.00 0.00 O ATOM 154 CB GLN A 14 6.913 13.286 3.347 1.00 0.00 C ATOM 155 CG GLN A 14 6.878 14.438 2.341 1.00 0.00 C ATOM 156 CD GLN A 14 8.283 14.986 2.085 1.00 0.00 C ATOM 157 OE1 GLN A 14 9.283 14.421 2.497 1.00 0.00 O ATOM 158 NE2 GLN A 14 8.304 16.116 1.383 1.00 0.00 N ATOM 0 H GLN A 14 6.897 11.798 0.712 1.00 0.00 H new ATOM 0 HA GLN A 14 6.350 11.237 3.507 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.327 13.550 4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.937 13.123 3.682 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.442 14.093 1.403 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.236 15.235 2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.430 16.537 1.068 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.194 16.561 1.160 1.00 0.00 H new ATOM 167 N GLY A 15 4.359 11.125 1.712 1.00 0.00 N ATOM 168 CA GLY A 15 3.001 11.170 1.197 1.00 0.00 C ATOM 169 C GLY A 15 2.355 9.784 1.229 1.00 0.00 C ATOM 170 O GLY A 15 2.503 9.005 0.288 1.00 0.00 O ATOM 0 H GLY A 15 4.812 10.214 1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.407 11.866 1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.009 11.548 0.175 1.00 0.00 H new ATOM 174 N GLY A 16 1.654 9.517 2.320 1.00 0.00 N ATOM 175 CA GLY A 16 0.985 8.238 2.487 1.00 0.00 C ATOM 176 C GLY A 16 1.960 7.171 2.988 1.00 0.00 C ATOM 177 O GLY A 16 3.163 7.415 3.075 1.00 0.00 O ATOM 0 H GLY A 16 1.534 10.165 3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.162 8.344 3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.552 7.923 1.537 1.00 0.00 H new ATOM 181 N PRO A 17 1.391 5.980 3.314 1.00 0.00 N ATOM 182 CA PRO A 17 2.196 4.874 3.804 1.00 0.00 C ATOM 183 C PRO A 17 2.987 4.225 2.666 1.00 0.00 C ATOM 184 O PRO A 17 2.733 4.498 1.494 1.00 0.00 O ATOM 185 CB PRO A 17 1.205 3.924 4.456 1.00 0.00 C ATOM 186 CG PRO A 17 -0.159 4.300 3.902 1.00 0.00 C ATOM 187 CD PRO A 17 -0.030 5.654 3.224 1.00 0.00 C ATOM 0 HA PRO A 17 2.954 5.191 4.521 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.448 2.887 4.225 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.226 4.022 5.541 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.503 3.548 3.191 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.898 4.343 4.703 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.361 5.610 2.186 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.641 6.406 3.723 1.00 0.00 H new ATOM 195 N LEU A 18 3.930 3.378 3.052 1.00 0.00 N ATOM 196 CA LEU A 18 4.759 2.688 2.078 1.00 0.00 C ATOM 197 C LEU A 18 4.701 1.181 2.342 1.00 0.00 C ATOM 198 O LEU A 18 4.941 0.734 3.462 1.00 0.00 O ATOM 199 CB LEU A 18 6.179 3.258 2.083 1.00 0.00 C ATOM 200 CG LEU A 18 6.332 4.680 1.540 1.00 0.00 C ATOM 201 CD1 LEU A 18 7.796 5.124 1.571 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.725 4.801 0.141 1.00 0.00 C ATOM 0 H LEU A 18 4.138 3.154 4.025 1.00 0.00 H new ATOM 0 HA LEU A 18 4.378 2.851 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.553 3.239 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.817 2.596 1.498 1.00 0.00 H new ATOM 0 HG LEU A 18 5.777 5.356 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.877 6.138 1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.162 5.101 2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.394 4.450 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.847 5.822 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.231 4.112 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.664 4.555 0.182 1.00 0.00 H new ATOM 214 N ALA A 19 4.381 0.441 1.291 1.00 0.00 N ATOM 215 CA ALA A 19 4.288 -1.005 1.394 1.00 0.00 C ATOM 216 C ALA A 19 5.537 -1.543 2.095 1.00 0.00 C ATOM 217 O ALA A 19 6.631 -1.008 1.919 1.00 0.00 O ATOM 218 CB ALA A 19 4.097 -1.606 0.000 1.00 0.00 C ATOM 0 H ALA A 19 4.183 0.816 0.363 1.00 0.00 H new ATOM 0 HA ALA A 19 3.424 -1.292 1.993 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.027 -2.691 0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.181 -1.214 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.946 -1.341 -0.630 1.00 0.00 H new ATOM 224 N PRO A 20 5.327 -2.623 2.895 1.00 0.00 N ATOM 225 CA PRO A 20 6.424 -3.239 3.623 1.00 0.00 C ATOM 226 C PRO A 20 7.310 -4.062 2.686 1.00 0.00 C ATOM 227 O PRO A 20 8.529 -3.902 2.679 1.00 0.00 O ATOM 228 CB PRO A 20 5.757 -4.079 4.701 1.00 0.00 C ATOM 229 CG PRO A 20 4.319 -4.272 4.249 1.00 0.00 C ATOM 230 CD PRO A 20 4.046 -3.283 3.127 1.00 0.00 C ATOM 0 HA PRO A 20 7.098 -2.507 4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.262 -5.038 4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.798 -3.578 5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.161 -5.294 3.904 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.632 -4.106 5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.694 -3.790 2.229 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.276 -2.565 3.410 1.00 0.00 H new ATOM 238 N MET A 21 6.662 -4.926 1.918 1.00 0.00 N ATOM 239 CA MET A 21 7.376 -5.775 0.979 1.00 0.00 C ATOM 240 C MET A 21 6.578 -5.954 -0.314 1.00 0.00 C ATOM 241 O MET A 21 5.399 -5.608 -0.373 1.00 0.00 O ATOM 242 CB MET A 21 7.629 -7.142 1.617 1.00 0.00 C ATOM 243 CG MET A 21 8.866 -7.809 1.012 1.00 0.00 C ATOM 244 SD MET A 21 10.026 -8.229 2.303 1.00 0.00 S ATOM 245 CE MET A 21 9.332 -9.780 2.851 1.00 0.00 C ATOM 0 H MET A 21 5.650 -5.056 1.927 1.00 0.00 H new ATOM 0 HA MET A 21 8.325 -5.297 0.735 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.763 -7.026 2.692 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.759 -7.782 1.472 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.575 -8.707 0.467 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.336 -7.138 0.293 1.00 0.00 H new ATOM 0 HE1 MET A 21 9.939 -10.184 3.661 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.314 -9.618 3.206 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.319 -10.486 2.021 1.00 0.00 H new ATOM 255 N THR A 22 7.253 -6.495 -1.317 1.00 0.00 N ATOM 256 CA THR A 22 6.622 -6.725 -2.606 1.00 0.00 C ATOM 257 C THR A 22 5.660 -7.912 -2.525 1.00 0.00 C ATOM 258 O THR A 22 6.092 -9.063 -2.482 1.00 0.00 O ATOM 259 CB THR A 22 7.727 -6.909 -3.648 1.00 0.00 C ATOM 260 OG1 THR A 22 8.338 -5.624 -3.736 1.00 0.00 O ATOM 261 CG2 THR A 22 7.173 -7.155 -5.052 1.00 0.00 C ATOM 0 H THR A 22 8.231 -6.781 -1.264 1.00 0.00 H new ATOM 0 HA THR A 22 6.012 -5.872 -2.905 1.00 0.00 H new ATOM 0 HB THR A 22 8.364 -7.745 -3.358 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.068 -5.653 -4.389 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.999 -7.279 -5.753 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.561 -8.057 -5.049 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.563 -6.304 -5.357 1.00 0.00 H new ATOM 269 N GLY A 23 4.375 -7.591 -2.505 1.00 0.00 N ATOM 270 CA GLY A 23 3.349 -8.617 -2.430 1.00 0.00 C ATOM 271 C GLY A 23 2.139 -8.247 -3.290 1.00 0.00 C ATOM 272 O GLY A 23 2.262 -7.480 -4.244 1.00 0.00 O ATOM 0 H GLY A 23 4.021 -6.635 -2.539 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.758 -9.571 -2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.037 -8.749 -1.394 1.00 0.00 H new ATOM 276 N THR A 24 0.997 -8.808 -2.921 1.00 0.00 N ATOM 277 CA THR A 24 -0.235 -8.546 -3.647 1.00 0.00 C ATOM 278 C THR A 24 -1.332 -8.085 -2.687 1.00 0.00 C ATOM 279 O THR A 24 -1.388 -8.531 -1.542 1.00 0.00 O ATOM 280 CB THR A 24 -0.601 -9.810 -4.427 1.00 0.00 C ATOM 281 OG1 THR A 24 0.448 -9.946 -5.381 1.00 0.00 O ATOM 282 CG2 THR A 24 -1.858 -9.628 -5.280 1.00 0.00 C ATOM 0 H THR A 24 0.898 -9.443 -2.129 1.00 0.00 H new ATOM 0 HA THR A 24 -0.109 -7.732 -4.360 1.00 0.00 H new ATOM 0 HB THR A 24 -0.751 -10.635 -3.731 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.291 -10.743 -5.929 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.073 -10.554 -5.813 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.701 -9.375 -4.637 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.697 -8.825 -5.999 1.00 0.00 H new ATOM 290 N ILE A 25 -2.179 -7.197 -3.188 1.00 0.00 N ATOM 291 CA ILE A 25 -3.272 -6.671 -2.389 1.00 0.00 C ATOM 292 C ILE A 25 -4.373 -7.727 -2.280 1.00 0.00 C ATOM 293 O ILE A 25 -4.923 -8.162 -3.290 1.00 0.00 O ATOM 294 CB ILE A 25 -3.756 -5.335 -2.957 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.575 -4.464 -3.392 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.665 -4.612 -1.961 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.547 -4.332 -2.266 1.00 0.00 C ATOM 0 H ILE A 25 -2.130 -6.829 -4.138 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.934 -6.457 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.352 -5.538 -3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.102 -4.900 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.934 -3.476 -3.679 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.995 -3.666 -2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.533 -5.234 -1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.115 -4.421 -1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.718 -3.708 -2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.017 -3.874 -1.396 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.172 -5.320 -1.998 1.00 0.00 H new ATOM 309 N GLU A 26 -4.661 -8.109 -1.044 1.00 0.00 N ATOM 310 CA GLU A 26 -5.687 -9.107 -0.789 1.00 0.00 C ATOM 311 C GLU A 26 -7.017 -8.428 -0.458 1.00 0.00 C ATOM 312 O GLU A 26 -8.054 -8.781 -1.017 1.00 0.00 O ATOM 313 CB GLU A 26 -5.261 -10.056 0.333 1.00 0.00 C ATOM 314 CG GLU A 26 -6.272 -11.192 0.502 1.00 0.00 C ATOM 315 CD GLU A 26 -6.049 -12.286 -0.544 1.00 0.00 C ATOM 316 OE1 GLU A 26 -5.807 -11.913 -1.712 1.00 0.00 O ATOM 317 OE2 GLU A 26 -6.126 -13.470 -0.152 1.00 0.00 O ATOM 0 H GLU A 26 -4.202 -7.746 -0.209 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.821 -9.702 -1.692 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.277 -10.470 0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.170 -9.503 1.268 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.183 -11.617 1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.285 -10.799 0.412 1.00 0.00 H new ATOM 324 N LYS A 27 -6.944 -7.465 0.450 1.00 0.00 N ATOM 325 CA LYS A 27 -8.129 -6.734 0.862 1.00 0.00 C ATOM 326 C LYS A 27 -7.803 -5.241 0.932 1.00 0.00 C ATOM 327 O LYS A 27 -6.644 -4.861 1.088 1.00 0.00 O ATOM 328 CB LYS A 27 -8.683 -7.304 2.169 1.00 0.00 C ATOM 329 CG LYS A 27 -9.649 -8.459 1.898 1.00 0.00 C ATOM 330 CD LYS A 27 -11.082 -7.949 1.736 1.00 0.00 C ATOM 331 CE LYS A 27 -11.614 -8.246 0.332 1.00 0.00 C ATOM 332 NZ LYS A 27 -12.574 -7.201 -0.090 1.00 0.00 N ATOM 0 H LYS A 27 -6.082 -7.175 0.911 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.925 -6.853 0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.861 -7.652 2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.196 -6.519 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.344 -8.989 0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.605 -9.175 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.725 -8.419 2.480 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.113 -6.875 1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.786 -8.294 -0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.100 -9.221 0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.925 -7.418 -1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.373 -7.174 0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.099 -6.276 -0.098 1.00 0.00 H new ATOM 346 N VAL A 28 -8.847 -4.433 0.812 1.00 0.00 N ATOM 347 CA VAL A 28 -8.686 -2.990 0.860 1.00 0.00 C ATOM 348 C VAL A 28 -9.804 -2.384 1.711 1.00 0.00 C ATOM 349 O VAL A 28 -10.931 -2.228 1.243 1.00 0.00 O ATOM 350 CB VAL A 28 -8.641 -2.421 -0.560 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.780 -0.898 -0.545 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.361 -2.848 -1.281 1.00 0.00 C ATOM 0 H VAL A 28 -9.807 -4.751 0.682 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.739 -2.727 1.332 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.488 -2.829 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.745 -0.519 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.731 -0.624 -0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.963 -0.464 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.354 -2.430 -2.288 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.494 -2.483 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.322 -3.936 -1.339 1.00 0.00 H new ATOM 362 N PHE A 29 -9.454 -2.061 2.947 1.00 0.00 N ATOM 363 CA PHE A 29 -10.414 -1.476 3.868 1.00 0.00 C ATOM 364 C PHE A 29 -10.235 0.041 3.956 1.00 0.00 C ATOM 365 O PHE A 29 -10.138 0.596 5.050 1.00 0.00 O ATOM 366 CB PHE A 29 -10.145 -2.090 5.244 1.00 0.00 C ATOM 367 CG PHE A 29 -10.121 -3.620 5.248 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.166 -4.318 4.727 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.056 -4.281 5.774 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.143 -5.737 4.731 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.034 -5.701 5.778 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.078 -6.399 5.257 1.00 0.00 C ATOM 0 H PHE A 29 -8.519 -2.193 3.333 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.429 -1.676 3.524 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.189 -1.721 5.615 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -10.911 -1.747 5.940 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.013 -3.793 4.311 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.227 -3.727 6.189 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.972 -6.291 4.316 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.188 -6.227 6.195 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.061 -7.479 5.261 1.00 0.00 H new ATOM 382 N VAL A 30 -10.196 0.669 2.790 1.00 0.00 N ATOM 383 CA VAL A 30 -10.030 2.111 2.722 1.00 0.00 C ATOM 384 C VAL A 30 -10.739 2.643 1.474 1.00 0.00 C ATOM 385 O VAL A 30 -11.415 1.892 0.772 1.00 0.00 O ATOM 386 CB VAL A 30 -8.543 2.470 2.763 1.00 0.00 C ATOM 387 CG1 VAL A 30 -7.922 2.076 4.105 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.790 1.822 1.599 1.00 0.00 C ATOM 0 H VAL A 30 -10.276 0.206 1.885 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.490 2.589 3.587 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.456 3.551 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.865 2.342 4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.432 2.604 4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.026 1.001 4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.736 2.093 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.889 0.738 1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.208 2.172 0.655 1.00 0.00 H new ATOM 398 N LYS A 31 -10.559 3.934 1.235 1.00 0.00 N ATOM 399 CA LYS A 31 -11.173 4.574 0.085 1.00 0.00 C ATOM 400 C LYS A 31 -10.747 6.043 0.038 1.00 0.00 C ATOM 401 O LYS A 31 -9.800 6.441 0.713 1.00 0.00 O ATOM 402 CB LYS A 31 -12.689 4.373 0.105 1.00 0.00 C ATOM 403 CG LYS A 31 -13.301 4.943 1.387 1.00 0.00 C ATOM 404 CD LYS A 31 -13.999 6.276 1.116 1.00 0.00 C ATOM 405 CE LYS A 31 -15.471 6.219 1.531 1.00 0.00 C ATOM 406 NZ LYS A 31 -16.274 5.526 0.499 1.00 0.00 N ATOM 0 H LYS A 31 -9.997 4.554 1.818 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.827 4.111 -0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -13.135 4.859 -0.763 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.920 3.310 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.016 4.232 1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.521 5.082 2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.494 7.073 1.662 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.925 6.520 0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.566 5.699 2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.852 7.229 1.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.270 5.496 0.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.197 6.038 -0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.920 4.556 0.377 1.00 0.00 H new ATOM 420 N ALA A 32 -11.469 6.809 -0.767 1.00 0.00 N ATOM 421 CA ALA A 32 -11.178 8.226 -0.911 1.00 0.00 C ATOM 422 C ALA A 32 -12.157 9.033 -0.056 1.00 0.00 C ATOM 423 O ALA A 32 -13.318 8.653 0.091 1.00 0.00 O ATOM 424 CB ALA A 32 -11.242 8.612 -2.391 1.00 0.00 C ATOM 0 H ALA A 32 -12.254 6.476 -1.326 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.171 8.449 -0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -11.024 9.674 -2.500 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.508 8.032 -2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -12.240 8.405 -2.778 1.00 0.00 H new ATOM 430 N GLY A 33 -11.652 10.131 0.487 1.00 0.00 N ATOM 431 CA GLY A 33 -12.468 10.995 1.324 1.00 0.00 C ATOM 432 C GLY A 33 -12.954 10.251 2.570 1.00 0.00 C ATOM 433 O GLY A 33 -13.986 10.598 3.141 1.00 0.00 O ATOM 0 H GLY A 33 -10.688 10.442 0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.891 11.871 1.621 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.324 11.356 0.754 1.00 0.00 H new ATOM 437 N ASP A 34 -12.187 9.241 2.954 1.00 0.00 N ATOM 438 CA ASP A 34 -12.526 8.445 4.121 1.00 0.00 C ATOM 439 C ASP A 34 -11.680 8.905 5.310 1.00 0.00 C ATOM 440 O ASP A 34 -10.626 9.512 5.128 1.00 0.00 O ATOM 441 CB ASP A 34 -12.237 6.962 3.880 1.00 0.00 C ATOM 442 CG ASP A 34 -13.415 6.022 4.143 1.00 0.00 C ATOM 443 OD1 ASP A 34 -14.547 6.545 4.240 1.00 0.00 O ATOM 444 OD2 ASP A 34 -13.158 4.803 4.240 1.00 0.00 O ATOM 0 H ASP A 34 -11.332 8.956 2.477 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.589 8.577 4.321 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.913 6.834 2.847 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.404 6.662 4.515 1.00 0.00 H new ATOM 449 N LYS A 35 -12.173 8.597 6.501 1.00 0.00 N ATOM 450 CA LYS A 35 -11.476 8.971 7.719 1.00 0.00 C ATOM 451 C LYS A 35 -11.053 7.706 8.468 1.00 0.00 C ATOM 452 O LYS A 35 -11.852 6.788 8.645 1.00 0.00 O ATOM 453 CB LYS A 35 -12.332 9.924 8.556 1.00 0.00 C ATOM 454 CG LYS A 35 -12.635 11.210 7.784 1.00 0.00 C ATOM 455 CD LYS A 35 -13.990 11.120 7.080 1.00 0.00 C ATOM 456 CE LYS A 35 -14.461 12.500 6.618 1.00 0.00 C ATOM 457 NZ LYS A 35 -15.624 12.946 7.417 1.00 0.00 N ATOM 0 H LYS A 35 -13.047 8.092 6.648 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.566 9.522 7.483 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.265 9.433 8.832 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.813 10.166 9.483 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.632 12.058 8.468 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.851 11.391 7.049 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.914 10.452 6.222 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.727 10.688 7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.648 13.220 6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.730 12.464 5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.931 13.884 7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.404 12.268 7.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.356 13.000 8.420 1.00 0.00 H new ATOM 471 N VAL A 36 -9.796 7.697 8.888 1.00 0.00 N ATOM 472 CA VAL A 36 -9.257 6.560 9.614 1.00 0.00 C ATOM 473 C VAL A 36 -8.514 7.058 10.855 1.00 0.00 C ATOM 474 O VAL A 36 -8.157 8.232 10.940 1.00 0.00 O ATOM 475 CB VAL A 36 -8.377 5.717 8.688 1.00 0.00 C ATOM 476 CG1 VAL A 36 -9.191 5.156 7.521 1.00 0.00 C ATOM 477 CG2 VAL A 36 -7.181 6.526 8.184 1.00 0.00 C ATOM 0 H VAL A 36 -9.135 8.460 8.739 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.062 5.910 9.957 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.993 4.875 9.264 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.543 4.561 6.878 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.995 4.529 7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.617 5.978 6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.572 5.904 7.528 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.537 7.396 7.632 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.581 6.855 9.032 1.00 0.00 H new ATOM 487 N LYS A 37 -8.303 6.140 11.787 1.00 0.00 N ATOM 488 CA LYS A 37 -7.608 6.472 13.020 1.00 0.00 C ATOM 489 C LYS A 37 -6.210 5.850 12.995 1.00 0.00 C ATOM 490 O LYS A 37 -6.052 4.683 12.642 1.00 0.00 O ATOM 491 CB LYS A 37 -8.444 6.059 14.233 1.00 0.00 C ATOM 492 CG LYS A 37 -9.935 6.278 13.972 1.00 0.00 C ATOM 493 CD LYS A 37 -10.519 5.136 13.138 1.00 0.00 C ATOM 494 CE LYS A 37 -11.781 4.569 13.792 1.00 0.00 C ATOM 495 NZ LYS A 37 -11.788 3.091 13.711 1.00 0.00 N ATOM 0 H LYS A 37 -8.601 5.167 11.713 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.476 7.551 13.105 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.262 5.009 14.464 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.135 6.636 15.105 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.467 6.349 14.921 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.082 7.225 13.452 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.754 5.496 12.136 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.777 4.346 13.026 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.829 4.882 14.835 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.666 4.970 13.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.651 2.723 14.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.764 2.798 12.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.954 2.712 14.203 1.00 0.00 H new ATOM 509 N ALA A 38 -5.231 6.659 13.375 1.00 0.00 N ATOM 510 CA ALA A 38 -3.852 6.203 13.401 1.00 0.00 C ATOM 511 C ALA A 38 -3.802 4.773 13.943 1.00 0.00 C ATOM 512 O ALA A 38 -4.117 4.536 15.109 1.00 0.00 O ATOM 513 CB ALA A 38 -3.010 7.171 14.234 1.00 0.00 C ATOM 0 H ALA A 38 -5.366 7.627 13.667 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.434 6.189 12.395 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.975 6.829 14.254 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.055 8.166 13.791 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.399 7.209 15.252 1.00 0.00 H new ATOM 519 N GLY A 39 -3.405 3.857 13.072 1.00 0.00 N ATOM 520 CA GLY A 39 -3.310 2.457 13.449 1.00 0.00 C ATOM 521 C GLY A 39 -4.558 1.686 13.014 1.00 0.00 C ATOM 522 O GLY A 39 -5.072 0.857 13.763 1.00 0.00 O ATOM 0 H GLY A 39 -3.145 4.057 12.106 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.426 2.013 12.992 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.186 2.375 14.529 1.00 0.00 H new ATOM 526 N ASP A 40 -5.009 1.988 11.805 1.00 0.00 N ATOM 527 CA ASP A 40 -6.187 1.333 11.262 1.00 0.00 C ATOM 528 C ASP A 40 -5.771 0.421 10.106 1.00 0.00 C ATOM 529 O ASP A 40 -4.871 0.757 9.339 1.00 0.00 O ATOM 530 CB ASP A 40 -7.185 2.358 10.719 1.00 0.00 C ATOM 531 CG ASP A 40 -8.247 2.819 11.719 1.00 0.00 C ATOM 532 OD1 ASP A 40 -7.911 2.867 12.922 1.00 0.00 O ATOM 533 OD2 ASP A 40 -9.371 3.114 11.258 1.00 0.00 O ATOM 0 H ASP A 40 -4.580 2.677 11.187 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.655 0.762 12.064 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.633 3.231 10.370 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.686 1.930 9.851 1.00 0.00 H new ATOM 538 N SER A 41 -6.447 -0.716 10.019 1.00 0.00 N ATOM 539 CA SER A 41 -6.158 -1.679 8.971 1.00 0.00 C ATOM 540 C SER A 41 -6.581 -1.116 7.612 1.00 0.00 C ATOM 541 O SER A 41 -7.724 -1.292 7.192 1.00 0.00 O ATOM 542 CB SER A 41 -6.864 -3.010 9.236 1.00 0.00 C ATOM 543 OG SER A 41 -8.257 -2.945 8.942 1.00 0.00 O ATOM 0 H SER A 41 -7.194 -0.991 10.657 1.00 0.00 H new ATOM 0 HA SER A 41 -5.084 -1.863 8.963 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.402 -3.791 8.632 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.727 -3.291 10.280 1.00 0.00 H new ATOM 0 HG SER A 41 -8.382 -2.669 8.010 1.00 0.00 H new ATOM 549 N LEU A 42 -5.637 -0.450 6.963 1.00 0.00 N ATOM 550 CA LEU A 42 -5.898 0.140 5.661 1.00 0.00 C ATOM 551 C LEU A 42 -6.235 -0.969 4.662 1.00 0.00 C ATOM 552 O LEU A 42 -7.377 -1.086 4.221 1.00 0.00 O ATOM 553 CB LEU A 42 -4.726 1.022 5.228 1.00 0.00 C ATOM 554 CG LEU A 42 -4.276 2.082 6.236 1.00 0.00 C ATOM 555 CD1 LEU A 42 -2.962 2.732 5.798 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.378 3.118 6.471 1.00 0.00 C ATOM 0 H LEU A 42 -4.690 -0.306 7.315 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.764 0.801 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.876 0.378 5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.999 1.524 4.300 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.089 1.589 7.190 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.665 3.481 6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.186 1.970 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.098 3.209 4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.033 3.860 7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.620 3.611 5.530 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.267 2.622 6.860 1.00 0.00 H new ATOM 568 N MET A 43 -5.220 -1.755 4.335 1.00 0.00 N ATOM 569 CA MET A 43 -5.394 -2.850 3.396 1.00 0.00 C ATOM 570 C MET A 43 -4.608 -4.085 3.842 1.00 0.00 C ATOM 571 O MET A 43 -3.892 -4.042 4.841 1.00 0.00 O ATOM 572 CB MET A 43 -4.918 -2.415 2.009 1.00 0.00 C ATOM 573 CG MET A 43 -5.689 -1.185 1.525 1.00 0.00 C ATOM 574 SD MET A 43 -4.584 0.210 1.380 1.00 0.00 S ATOM 575 CE MET A 43 -4.228 0.142 -0.368 1.00 0.00 C ATOM 0 H MET A 43 -4.274 -1.655 4.704 1.00 0.00 H new ATOM 0 HA MET A 43 -6.452 -3.109 3.361 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.852 -2.191 2.040 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.051 -3.234 1.302 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.154 -1.393 0.561 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.493 -0.952 2.223 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.518 0.928 -0.626 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.799 -0.829 -0.614 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.149 0.286 -0.933 1.00 0.00 H new ATOM 585 N VAL A 44 -4.769 -5.156 3.079 1.00 0.00 N ATOM 586 CA VAL A 44 -4.083 -6.401 3.383 1.00 0.00 C ATOM 587 C VAL A 44 -3.315 -6.870 2.146 1.00 0.00 C ATOM 588 O VAL A 44 -3.875 -6.939 1.053 1.00 0.00 O ATOM 589 CB VAL A 44 -5.085 -7.439 3.895 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.419 -8.806 4.063 1.00 0.00 C ATOM 591 CG2 VAL A 44 -5.731 -6.979 5.203 1.00 0.00 C ATOM 0 H VAL A 44 -5.364 -5.188 2.251 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.355 -6.252 4.180 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.874 -7.540 3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.152 -9.526 4.428 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.029 -9.141 3.102 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.601 -8.727 4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.438 -7.735 5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.959 -6.836 5.959 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.256 -6.038 5.038 1.00 0.00 H new ATOM 601 N MET A 45 -2.045 -7.181 2.360 1.00 0.00 N ATOM 602 CA MET A 45 -1.195 -7.642 1.276 1.00 0.00 C ATOM 603 C MET A 45 -0.814 -9.112 1.464 1.00 0.00 C ATOM 604 O MET A 45 -1.052 -9.687 2.525 1.00 0.00 O ATOM 605 CB MET A 45 0.074 -6.788 1.224 1.00 0.00 C ATOM 606 CG MET A 45 -0.164 -5.501 0.432 1.00 0.00 C ATOM 607 SD MET A 45 1.323 -4.514 0.412 1.00 0.00 S ATOM 608 CE MET A 45 2.268 -5.401 -0.816 1.00 0.00 C ATOM 0 H MET A 45 -1.584 -7.123 3.268 1.00 0.00 H new ATOM 0 HA MET A 45 -1.747 -7.546 0.341 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.393 -6.542 2.237 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.882 -7.358 0.765 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.464 -5.742 -0.588 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.981 -4.934 0.879 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.103 -4.784 -1.148 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.649 -6.326 -0.383 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.629 -5.635 -1.668 1.00 0.00 H new ATOM 618 N ILE A 46 -0.229 -9.677 0.419 1.00 0.00 N ATOM 619 CA ILE A 46 0.187 -11.069 0.456 1.00 0.00 C ATOM 620 C ILE A 46 1.592 -11.193 -0.137 1.00 0.00 C ATOM 621 O ILE A 46 1.819 -10.818 -1.287 1.00 0.00 O ATOM 622 CB ILE A 46 -0.852 -11.957 -0.232 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.211 -11.850 0.462 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.365 -13.405 -0.318 1.00 0.00 C ATOM 625 CD1 ILE A 46 -2.262 -12.738 1.707 1.00 0.00 C ATOM 0 H ILE A 46 -0.033 -9.196 -0.459 1.00 0.00 H new ATOM 0 HA ILE A 46 0.243 -11.423 1.485 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.983 -11.600 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.400 -10.814 0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.001 -12.142 -0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.122 -14.015 -0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.562 -13.444 -0.891 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.187 -13.789 0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.239 -12.643 2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.097 -13.777 1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.487 -12.427 2.407 1.00 0.00 H new ATOM 637 N ALA A 47 2.497 -11.720 0.673 1.00 0.00 N ATOM 638 CA ALA A 47 3.874 -11.898 0.243 1.00 0.00 C ATOM 639 C ALA A 47 4.254 -13.375 0.362 1.00 0.00 C ATOM 640 O ALA A 47 4.377 -14.071 -0.645 1.00 0.00 O ATOM 641 CB ALA A 47 4.789 -10.992 1.070 1.00 0.00 C ATOM 0 H ALA A 47 2.304 -12.030 1.625 1.00 0.00 H new ATOM 0 HA ALA A 47 3.990 -11.611 -0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.822 -11.126 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.496 -9.952 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.702 -11.252 2.125 1.00 0.00 H new ATOM 647 N MET A 48 4.428 -13.811 1.601 1.00 0.00 N ATOM 648 CA MET A 48 4.791 -15.193 1.864 1.00 0.00 C ATOM 649 C MET A 48 3.623 -15.957 2.490 1.00 0.00 C ATOM 650 O MET A 48 3.632 -16.240 3.687 1.00 0.00 O ATOM 651 CB MET A 48 5.993 -15.234 2.810 1.00 0.00 C ATOM 652 CG MET A 48 7.287 -14.892 2.067 1.00 0.00 C ATOM 653 SD MET A 48 8.605 -15.966 2.611 1.00 0.00 S ATOM 654 CE MET A 48 10.010 -15.103 1.928 1.00 0.00 C ATOM 0 H MET A 48 4.324 -13.231 2.434 1.00 0.00 H new ATOM 0 HA MET A 48 5.046 -15.668 0.917 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.841 -14.529 3.627 1.00 0.00 H new ATOM 0 HB3 MET A 48 6.076 -16.225 3.255 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.139 -15.000 0.993 1.00 0.00 H new ATOM 0 HG3 MET A 48 7.556 -13.851 2.248 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.924 -15.642 2.176 1.00 0.00 H new ATOM 0 HE2 MET A 48 9.908 -15.041 0.845 1.00 0.00 H new ATOM 0 HE3 MET A 48 10.058 -14.097 2.346 1.00 0.00 H new ATOM 664 N LYS A 49 2.645 -16.270 1.652 1.00 0.00 N ATOM 665 CA LYS A 49 1.472 -16.996 2.108 1.00 0.00 C ATOM 666 C LYS A 49 1.036 -16.449 3.469 1.00 0.00 C ATOM 667 O LYS A 49 0.498 -17.185 4.294 1.00 0.00 O ATOM 668 CB LYS A 49 1.741 -18.502 2.108 1.00 0.00 C ATOM 669 CG LYS A 49 0.550 -19.271 1.532 1.00 0.00 C ATOM 670 CD LYS A 49 -0.578 -19.385 2.560 1.00 0.00 C ATOM 671 CE LYS A 49 -1.844 -19.962 1.923 1.00 0.00 C ATOM 672 NZ LYS A 49 -3.006 -19.087 2.195 1.00 0.00 N ATOM 0 H LYS A 49 2.641 -16.034 0.660 1.00 0.00 H new ATOM 0 HA LYS A 49 0.639 -16.844 1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.635 -18.716 1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.939 -18.840 3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.183 -18.765 0.639 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.870 -20.267 1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.259 -20.021 3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.793 -18.402 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.703 -20.065 0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.033 -20.961 2.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.857 -19.493 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.150 -19.010 3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.829 -18.142 1.799 1.00 0.00 H new ATOM 686 N MET A 50 1.286 -15.162 3.661 1.00 0.00 N ATOM 687 CA MET A 50 0.926 -14.508 4.908 1.00 0.00 C ATOM 688 C MET A 50 0.179 -13.199 4.644 1.00 0.00 C ATOM 689 O MET A 50 0.428 -12.528 3.644 1.00 0.00 O ATOM 690 CB MET A 50 2.192 -14.219 5.717 1.00 0.00 C ATOM 691 CG MET A 50 2.677 -15.475 6.442 1.00 0.00 C ATOM 692 SD MET A 50 2.173 -15.425 8.154 1.00 0.00 S ATOM 693 CE MET A 50 0.815 -16.583 8.111 1.00 0.00 C ATOM 0 H MET A 50 1.733 -14.555 2.974 1.00 0.00 H new ATOM 0 HA MET A 50 0.269 -15.173 5.469 1.00 0.00 H new ATOM 0 HB2 MET A 50 2.976 -13.852 5.054 1.00 0.00 H new ATOM 0 HB3 MET A 50 1.992 -13.430 6.442 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.269 -16.363 5.960 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.763 -15.547 6.376 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.508 -16.822 9.129 1.00 0.00 H new ATOM 0 HE2 MET A 50 -0.024 -16.141 7.573 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.130 -17.495 7.604 1.00 0.00 H new ATOM 703 N GLU A 51 -0.723 -12.875 5.560 1.00 0.00 N ATOM 704 CA GLU A 51 -1.508 -11.658 5.439 1.00 0.00 C ATOM 705 C GLU A 51 -0.858 -10.526 6.236 1.00 0.00 C ATOM 706 O GLU A 51 -0.686 -10.635 7.449 1.00 0.00 O ATOM 707 CB GLU A 51 -2.951 -11.890 5.892 1.00 0.00 C ATOM 708 CG GLU A 51 -3.594 -13.036 5.109 1.00 0.00 C ATOM 709 CD GLU A 51 -3.800 -14.262 6.001 1.00 0.00 C ATOM 710 OE1 GLU A 51 -2.818 -15.019 6.160 1.00 0.00 O ATOM 711 OE2 GLU A 51 -4.934 -14.415 6.503 1.00 0.00 O ATOM 0 H GLU A 51 -0.927 -13.434 6.388 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.534 -11.368 4.389 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.969 -12.118 6.958 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.531 -10.978 5.751 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.552 -12.711 4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.963 -13.301 4.261 1.00 0.00 H new ATOM 718 N HIS A 52 -0.515 -9.464 5.523 1.00 0.00 N ATOM 719 CA HIS A 52 0.112 -8.312 6.148 1.00 0.00 C ATOM 720 C HIS A 52 -0.922 -7.198 6.325 1.00 0.00 C ATOM 721 O HIS A 52 -1.605 -6.823 5.374 1.00 0.00 O ATOM 722 CB HIS A 52 1.338 -7.862 5.352 1.00 0.00 C ATOM 723 CG HIS A 52 2.135 -8.998 4.757 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.555 -10.088 5.499 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.583 -9.202 3.485 1.00 0.00 C ATOM 726 CE1 HIS A 52 3.226 -10.905 4.699 1.00 0.00 C ATOM 727 NE2 HIS A 52 3.242 -10.353 3.452 1.00 0.00 N ATOM 0 H HIS A 52 -0.660 -9.377 4.517 1.00 0.00 H new ATOM 0 HA HIS A 52 0.475 -8.584 7.139 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.014 -7.200 4.549 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.988 -7.278 6.004 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.378 -10.237 6.492 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.428 -8.539 2.647 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.680 -11.842 4.985 1.00 0.00 H new ATOM 735 N THR A 53 -1.004 -6.700 7.550 1.00 0.00 N ATOM 736 CA THR A 53 -1.942 -5.636 7.865 1.00 0.00 C ATOM 737 C THR A 53 -1.241 -4.277 7.824 1.00 0.00 C ATOM 738 O THR A 53 -0.578 -3.888 8.784 1.00 0.00 O ATOM 739 CB THR A 53 -2.578 -5.952 9.220 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.045 -7.291 9.081 1.00 0.00 O ATOM 741 CG2 THR A 53 -3.849 -5.139 9.474 1.00 0.00 C ATOM 0 H THR A 53 -0.436 -7.014 8.337 1.00 0.00 H new ATOM 0 HA THR A 53 -2.738 -5.578 7.122 1.00 0.00 H new ATOM 0 HB THR A 53 -1.857 -5.756 10.014 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.471 -7.577 9.916 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.260 -5.402 10.449 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.611 -4.076 9.455 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.583 -5.360 8.699 1.00 0.00 H new ATOM 749 N ILE A 54 -1.412 -3.592 6.703 1.00 0.00 N ATOM 750 CA ILE A 54 -0.804 -2.284 6.525 1.00 0.00 C ATOM 751 C ILE A 54 -1.515 -1.269 7.422 1.00 0.00 C ATOM 752 O ILE A 54 -2.543 -0.711 7.041 1.00 0.00 O ATOM 753 CB ILE A 54 -0.792 -1.896 5.045 1.00 0.00 C ATOM 754 CG1 ILE A 54 0.318 -2.633 4.293 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.689 -0.378 4.878 1.00 0.00 C ATOM 756 CD1 ILE A 54 -0.143 -4.027 3.864 1.00 0.00 C ATOM 0 H ILE A 54 -1.963 -3.918 5.909 1.00 0.00 H new ATOM 0 HA ILE A 54 0.241 -2.304 6.834 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.739 -2.205 4.603 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.612 -2.057 3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.199 -2.717 4.929 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.682 -0.128 3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.543 0.100 5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.232 -0.023 5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.665 -4.529 3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.413 -4.608 4.746 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.009 -3.938 3.209 1.00 0.00 H new ATOM 768 N LYS A 55 -0.940 -1.061 8.597 1.00 0.00 N ATOM 769 CA LYS A 55 -1.506 -0.123 9.552 1.00 0.00 C ATOM 770 C LYS A 55 -1.110 1.301 9.157 1.00 0.00 C ATOM 771 O LYS A 55 0.039 1.553 8.797 1.00 0.00 O ATOM 772 CB LYS A 55 -1.102 -0.500 10.978 1.00 0.00 C ATOM 773 CG LYS A 55 -1.889 -1.718 11.466 1.00 0.00 C ATOM 774 CD LYS A 55 -3.063 -1.294 12.351 1.00 0.00 C ATOM 775 CE LYS A 55 -4.114 -2.403 12.436 1.00 0.00 C ATOM 776 NZ LYS A 55 -4.226 -2.906 13.824 1.00 0.00 N ATOM 0 H LYS A 55 -0.088 -1.526 8.910 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.595 -0.169 9.532 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.034 -0.715 11.013 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.279 0.343 11.645 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.259 -2.283 10.610 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.229 -2.382 12.025 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.701 -1.054 13.351 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.517 -0.388 11.950 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.079 -2.024 12.101 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.844 -3.220 11.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.943 -3.658 13.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.308 -3.287 14.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.505 -2.127 14.454 1.00 0.00 H new ATOM 790 N SER A 56 -2.083 2.197 9.238 1.00 0.00 N ATOM 791 CA SER A 56 -1.850 3.589 8.894 1.00 0.00 C ATOM 792 C SER A 56 -0.713 4.156 9.746 1.00 0.00 C ATOM 793 O SER A 56 -0.602 3.839 10.930 1.00 0.00 O ATOM 794 CB SER A 56 -3.120 4.422 9.081 1.00 0.00 C ATOM 795 OG SER A 56 -3.236 5.446 8.097 1.00 0.00 O ATOM 0 H SER A 56 -3.035 1.985 9.537 1.00 0.00 H new ATOM 0 HA SER A 56 -1.566 3.639 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.992 3.770 9.030 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.116 4.872 10.074 1.00 0.00 H new ATOM 0 HG SER A 56 -3.209 6.323 8.533 1.00 0.00 H new ATOM 801 N PRO A 57 0.125 5.005 9.095 1.00 0.00 N ATOM 802 CA PRO A 57 1.250 5.619 9.780 1.00 0.00 C ATOM 803 C PRO A 57 0.780 6.740 10.710 1.00 0.00 C ATOM 804 O PRO A 57 1.443 7.049 11.699 1.00 0.00 O ATOM 805 CB PRO A 57 2.165 6.112 8.671 1.00 0.00 C ATOM 806 CG PRO A 57 1.307 6.173 7.418 1.00 0.00 C ATOM 807 CD PRO A 57 0.025 5.403 7.694 1.00 0.00 C ATOM 0 HA PRO A 57 1.777 4.922 10.432 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.576 7.093 8.911 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.010 5.437 8.533 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.083 7.208 7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.838 5.740 6.570 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.854 6.023 7.521 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.064 4.535 7.041 1.00 0.00 H new ATOM 815 N LYS A 58 -0.359 7.318 10.359 1.00 0.00 N ATOM 816 CA LYS A 58 -0.925 8.397 11.149 1.00 0.00 C ATOM 817 C LYS A 58 -2.378 8.625 10.728 1.00 0.00 C ATOM 818 O LYS A 58 -2.850 8.024 9.764 1.00 0.00 O ATOM 819 CB LYS A 58 -0.052 9.650 11.048 1.00 0.00 C ATOM 820 CG LYS A 58 -0.096 10.236 9.636 1.00 0.00 C ATOM 821 CD LYS A 58 1.272 10.790 9.230 1.00 0.00 C ATOM 822 CE LYS A 58 1.299 11.145 7.742 1.00 0.00 C ATOM 823 NZ LYS A 58 2.660 11.558 7.333 1.00 0.00 N ATOM 0 H LYS A 58 -0.905 7.059 9.537 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.937 8.129 12.205 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.395 10.395 11.766 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.977 9.403 11.311 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.406 9.467 8.928 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.842 11.030 9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.501 11.675 9.823 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.046 10.053 9.446 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.980 10.286 7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.592 11.950 7.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.661 11.796 6.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.950 12.391 7.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.326 10.778 7.506 1.00 0.00 H new ATOM 837 N ASP A 59 -3.047 9.494 11.471 1.00 0.00 N ATOM 838 CA ASP A 59 -4.437 9.808 11.187 1.00 0.00 C ATOM 839 C ASP A 59 -4.504 10.792 10.018 1.00 0.00 C ATOM 840 O ASP A 59 -3.837 11.825 10.032 1.00 0.00 O ATOM 841 CB ASP A 59 -5.112 10.462 12.394 1.00 0.00 C ATOM 842 CG ASP A 59 -4.239 11.453 13.165 1.00 0.00 C ATOM 843 OD1 ASP A 59 -3.427 12.132 12.499 1.00 0.00 O ATOM 844 OD2 ASP A 59 -4.403 11.511 14.403 1.00 0.00 O ATOM 0 H ASP A 59 -2.652 9.991 12.270 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.951 8.877 10.947 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.009 10.980 12.053 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.437 9.678 13.078 1.00 0.00 H new ATOM 849 N GLY A 60 -5.315 10.437 9.032 1.00 0.00 N ATOM 850 CA GLY A 60 -5.478 11.276 7.857 1.00 0.00 C ATOM 851 C GLY A 60 -6.653 10.799 7.001 1.00 0.00 C ATOM 852 O GLY A 60 -7.101 9.661 7.134 1.00 0.00 O ATOM 0 H GLY A 60 -5.867 9.579 9.023 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.643 12.309 8.163 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.563 11.261 7.265 1.00 0.00 H new ATOM 856 N THR A 61 -7.118 11.693 6.140 1.00 0.00 N ATOM 857 CA THR A 61 -8.231 11.377 5.262 1.00 0.00 C ATOM 858 C THR A 61 -7.720 10.942 3.888 1.00 0.00 C ATOM 859 O THR A 61 -7.300 11.774 3.085 1.00 0.00 O ATOM 860 CB THR A 61 -9.153 12.597 5.209 1.00 0.00 C ATOM 861 OG1 THR A 61 -9.823 12.581 6.467 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.278 12.438 4.185 1.00 0.00 C ATOM 0 H THR A 61 -6.744 12.636 6.032 1.00 0.00 H new ATOM 0 HA THR A 61 -8.806 10.533 5.642 1.00 0.00 H new ATOM 0 HB THR A 61 -8.567 13.484 4.968 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.440 13.340 6.519 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.902 13.332 4.189 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.850 12.299 3.192 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.885 11.570 4.443 1.00 0.00 H new ATOM 870 N VAL A 62 -7.772 9.638 3.658 1.00 0.00 N ATOM 871 CA VAL A 62 -7.319 9.082 2.394 1.00 0.00 C ATOM 872 C VAL A 62 -7.848 9.942 1.245 1.00 0.00 C ATOM 873 O VAL A 62 -9.058 10.084 1.078 1.00 0.00 O ATOM 874 CB VAL A 62 -7.741 7.615 2.287 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.275 7.006 0.963 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.220 6.806 3.476 1.00 0.00 C ATOM 0 H VAL A 62 -8.121 8.950 4.326 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.231 9.098 2.337 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.830 7.577 2.308 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.588 5.963 0.912 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.716 7.558 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.188 7.063 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.534 5.767 3.375 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.131 6.855 3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.623 7.218 4.401 1.00 0.00 H new ATOM 886 N LYS A 63 -6.915 10.493 0.482 1.00 0.00 N ATOM 887 CA LYS A 63 -7.272 11.335 -0.647 1.00 0.00 C ATOM 888 C LYS A 63 -7.675 10.452 -1.829 1.00 0.00 C ATOM 889 O LYS A 63 -8.774 10.588 -2.365 1.00 0.00 O ATOM 890 CB LYS A 63 -6.139 12.312 -0.966 1.00 0.00 C ATOM 891 CG LYS A 63 -6.519 13.231 -2.128 1.00 0.00 C ATOM 892 CD LYS A 63 -5.439 14.289 -2.367 1.00 0.00 C ATOM 893 CE LYS A 63 -5.975 15.436 -3.226 1.00 0.00 C ATOM 894 NZ LYS A 63 -5.053 16.593 -3.178 1.00 0.00 N ATOM 0 H LYS A 63 -5.912 10.373 0.624 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.135 11.954 -0.403 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.911 12.910 -0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.235 11.757 -1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.660 12.640 -3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.470 13.719 -1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.089 14.679 -1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.580 13.832 -2.859 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.095 15.101 -4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.961 15.734 -2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.431 17.363 -3.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.959 16.922 -2.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.120 16.308 -3.538 1.00 0.00 H new ATOM 908 N LYS A 64 -6.763 9.565 -2.202 1.00 0.00 N ATOM 909 CA LYS A 64 -7.010 8.660 -3.311 1.00 0.00 C ATOM 910 C LYS A 64 -6.094 7.441 -3.182 1.00 0.00 C ATOM 911 O LYS A 64 -4.946 7.565 -2.758 1.00 0.00 O ATOM 912 CB LYS A 64 -6.869 9.396 -4.645 1.00 0.00 C ATOM 913 CG LYS A 64 -6.874 8.412 -5.817 1.00 0.00 C ATOM 914 CD LYS A 64 -5.489 8.316 -6.458 1.00 0.00 C ATOM 915 CE LYS A 64 -5.508 8.855 -7.890 1.00 0.00 C ATOM 916 NZ LYS A 64 -4.137 8.904 -8.444 1.00 0.00 N ATOM 0 H LYS A 64 -5.853 9.454 -1.756 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.036 8.293 -3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.686 10.108 -4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.943 9.970 -4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.186 7.428 -5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.602 8.732 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.770 8.879 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.157 7.278 -6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.137 8.221 -8.515 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.948 9.852 -7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.130 8.476 -9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.824 9.894 -8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -3.492 8.377 -7.821 1.00 0.00 H new ATOM 930 N VAL A 65 -6.637 6.291 -3.554 1.00 0.00 N ATOM 931 CA VAL A 65 -5.883 5.051 -3.485 1.00 0.00 C ATOM 932 C VAL A 65 -5.191 4.804 -4.828 1.00 0.00 C ATOM 933 O VAL A 65 -5.688 5.222 -5.872 1.00 0.00 O ATOM 934 CB VAL A 65 -6.802 3.902 -3.067 1.00 0.00 C ATOM 935 CG1 VAL A 65 -5.992 2.660 -2.691 1.00 0.00 C ATOM 936 CG2 VAL A 65 -7.720 4.325 -1.918 1.00 0.00 C ATOM 0 H VAL A 65 -7.590 6.192 -3.904 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.104 5.120 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.429 3.647 -3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.670 1.858 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.399 2.339 -3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.329 2.896 -1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.363 3.490 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.116 4.620 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.335 5.167 -2.235 1.00 0.00 H new ATOM 946 N PHE A 66 -4.055 4.126 -4.756 1.00 0.00 N ATOM 947 CA PHE A 66 -3.290 3.819 -5.952 1.00 0.00 C ATOM 948 C PHE A 66 -3.371 2.328 -6.287 1.00 0.00 C ATOM 949 O PHE A 66 -3.290 1.945 -7.453 1.00 0.00 O ATOM 950 CB PHE A 66 -1.834 4.185 -5.659 1.00 0.00 C ATOM 951 CG PHE A 66 -1.582 5.689 -5.539 1.00 0.00 C ATOM 952 CD1 PHE A 66 -1.874 6.512 -6.582 1.00 0.00 C ATOM 953 CD2 PHE A 66 -1.067 6.203 -4.390 1.00 0.00 C ATOM 954 CE1 PHE A 66 -1.641 7.909 -6.471 1.00 0.00 C ATOM 955 CE2 PHE A 66 -0.834 7.600 -4.279 1.00 0.00 C ATOM 956 CZ PHE A 66 -1.125 8.423 -5.322 1.00 0.00 C ATOM 0 H PHE A 66 -3.646 3.781 -3.888 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.687 4.377 -6.800 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.528 3.701 -4.732 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.203 3.783 -6.452 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -2.283 6.103 -7.494 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.835 5.549 -3.562 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.873 8.563 -7.299 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.426 8.009 -3.366 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.946 9.485 -5.238 1.00 0.00 H new ATOM 966 N TYR A 67 -3.530 1.527 -5.243 1.00 0.00 N ATOM 967 CA TYR A 67 -3.623 0.087 -5.412 1.00 0.00 C ATOM 968 C TYR A 67 -4.972 -0.437 -4.915 1.00 0.00 C ATOM 969 O TYR A 67 -5.508 0.058 -3.925 1.00 0.00 O ATOM 970 CB TYR A 67 -2.508 -0.511 -4.552 1.00 0.00 C ATOM 971 CG TYR A 67 -1.100 -0.260 -5.095 1.00 0.00 C ATOM 972 CD1 TYR A 67 -0.462 0.935 -4.832 1.00 0.00 C ATOM 973 CD2 TYR A 67 -0.469 -1.228 -5.849 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.863 1.171 -5.343 1.00 0.00 C ATOM 975 CE2 TYR A 67 0.857 -0.992 -6.360 1.00 0.00 C ATOM 976 CZ TYR A 67 1.457 0.196 -6.082 1.00 0.00 C ATOM 977 OH TYR A 67 2.709 0.419 -6.565 1.00 0.00 O ATOM 0 H TYR A 67 -3.597 1.848 -4.277 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.530 -0.183 -6.464 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.577 -0.097 -3.546 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.667 -1.586 -4.466 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.957 1.693 -4.243 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.969 -2.163 -6.056 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.374 2.101 -5.144 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.363 -1.742 -6.950 1.00 0.00 H new ATOM 0 HH TYR A 67 3.008 -0.364 -7.073 1.00 0.00 H new ATOM 987 N ARG A 68 -5.482 -1.433 -5.625 1.00 0.00 N ATOM 988 CA ARG A 68 -6.757 -2.030 -5.268 1.00 0.00 C ATOM 989 C ARG A 68 -6.594 -3.534 -5.039 1.00 0.00 C ATOM 990 O ARG A 68 -5.480 -4.054 -5.079 1.00 0.00 O ATOM 991 CB ARG A 68 -7.799 -1.798 -6.364 1.00 0.00 C ATOM 992 CG ARG A 68 -8.083 -0.306 -6.545 1.00 0.00 C ATOM 993 CD ARG A 68 -9.580 -0.013 -6.424 1.00 0.00 C ATOM 994 NE ARG A 68 -9.807 1.448 -6.369 1.00 0.00 N ATOM 995 CZ ARG A 68 -11.012 2.025 -6.465 1.00 0.00 C ATOM 996 NH1 ARG A 68 -12.107 1.268 -6.621 1.00 0.00 N ATOM 997 NH2 ARG A 68 -11.123 3.359 -6.404 1.00 0.00 N ATOM 0 H ARG A 68 -5.035 -1.841 -6.446 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.100 -1.555 -4.349 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.443 -2.221 -7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.722 -2.319 -6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.535 0.265 -5.795 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.723 0.020 -7.521 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.112 -0.440 -7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.980 -0.486 -5.527 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.995 2.054 -6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.023 0.253 -6.667 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.025 1.707 -6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.290 3.935 -6.284 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.041 3.798 -6.477 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.721 -4.190 -4.803 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.717 -5.623 -4.567 1.00 0.00 C ATOM 1013 C GLU A 69 -7.054 -6.352 -5.738 1.00 0.00 C ATOM 1014 O GLU A 69 -7.313 -6.034 -6.898 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.135 -6.144 -4.329 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.735 -5.539 -3.058 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.185 -5.107 -3.288 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -11.932 -5.918 -3.877 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -11.513 -3.976 -2.869 1.00 0.00 O ATOM 0 H GLU A 69 -8.643 -3.755 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.137 -5.821 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.764 -5.900 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.118 -7.231 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.693 -6.268 -2.249 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.141 -4.680 -2.744 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.214 -7.316 -5.394 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.513 -8.093 -6.403 1.00 0.00 C ATOM 1028 C GLY A 70 -4.580 -7.205 -7.228 1.00 0.00 C ATOM 1029 O GLY A 70 -4.599 -7.252 -8.457 1.00 0.00 O ATOM 0 H GLY A 70 -6.002 -7.577 -4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.937 -8.884 -5.923 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.235 -8.578 -7.060 1.00 0.00 H new ATOM 1033 N ALA A 71 -3.785 -6.416 -6.519 1.00 0.00 N ATOM 1034 CA ALA A 71 -2.847 -5.518 -7.171 1.00 0.00 C ATOM 1035 C ALA A 71 -1.421 -5.894 -6.764 1.00 0.00 C ATOM 1036 O ALA A 71 -1.197 -6.391 -5.661 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.193 -4.071 -6.814 1.00 0.00 C ATOM 0 H ALA A 71 -3.771 -6.380 -5.500 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.916 -5.612 -8.255 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.489 -3.397 -7.303 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.205 -3.845 -7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.132 -3.938 -5.734 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.494 -5.644 -7.676 1.00 0.00 N ATOM 1044 CA GLN A 72 0.904 -5.950 -7.426 1.00 0.00 C ATOM 1045 C GLN A 72 1.651 -4.693 -6.975 1.00 0.00 C ATOM 1046 O GLN A 72 1.826 -3.758 -7.754 1.00 0.00 O ATOM 1047 CB GLN A 72 1.562 -6.564 -8.664 1.00 0.00 C ATOM 1048 CG GLN A 72 3.087 -6.482 -8.572 1.00 0.00 C ATOM 1049 CD GLN A 72 3.734 -7.795 -9.018 1.00 0.00 C ATOM 1050 OE1 GLN A 72 3.493 -8.298 -10.104 1.00 0.00 O ATOM 1051 NE2 GLN A 72 4.565 -8.320 -8.123 1.00 0.00 N ATOM 0 H GLN A 72 -0.684 -5.233 -8.590 1.00 0.00 H new ATOM 0 HA GLN A 72 0.956 -6.687 -6.625 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.256 -7.605 -8.764 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.220 -6.043 -9.558 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.449 -5.664 -9.195 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.382 -6.257 -7.547 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.721 -7.847 -7.233 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.046 -9.196 -8.326 1.00 0.00 H new ATOM 1060 N ALA A 73 2.071 -4.712 -5.719 1.00 0.00 N ATOM 1061 CA ALA A 73 2.794 -3.585 -5.155 1.00 0.00 C ATOM 1062 C ALA A 73 4.275 -3.948 -5.025 1.00 0.00 C ATOM 1063 O ALA A 73 4.638 -5.122 -5.093 1.00 0.00 O ATOM 1064 CB ALA A 73 2.170 -3.197 -3.813 1.00 0.00 C ATOM 0 H ALA A 73 1.925 -5.490 -5.076 1.00 0.00 H new ATOM 0 HA ALA A 73 2.723 -2.717 -5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.713 -2.352 -3.390 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.127 -2.920 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.225 -4.043 -3.128 1.00 0.00 H new ATOM 1070 N ASN A 74 5.090 -2.920 -4.840 1.00 0.00 N ATOM 1071 CA ASN A 74 6.523 -3.116 -4.700 1.00 0.00 C ATOM 1072 C ASN A 74 6.951 -2.723 -3.286 1.00 0.00 C ATOM 1073 O ASN A 74 6.182 -2.109 -2.548 1.00 0.00 O ATOM 1074 CB ASN A 74 7.298 -2.243 -5.689 1.00 0.00 C ATOM 1075 CG ASN A 74 7.841 -3.079 -6.850 1.00 0.00 C ATOM 1076 OD1 ASN A 74 8.727 -3.903 -6.694 1.00 0.00 O ATOM 1077 ND2 ASN A 74 7.262 -2.821 -8.019 1.00 0.00 N ATOM 0 H ASN A 74 4.785 -1.948 -4.784 1.00 0.00 H new ATOM 0 HA ASN A 74 6.741 -4.165 -4.899 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.647 -1.458 -6.075 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.123 -1.749 -5.175 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.554 -3.326 -8.855 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.526 -2.118 -8.079 1.00 0.00 H new ATOM 1084 N ARG A 75 8.178 -3.092 -2.949 1.00 0.00 N ATOM 1085 CA ARG A 75 8.719 -2.785 -1.635 1.00 0.00 C ATOM 1086 C ARG A 75 8.988 -1.285 -1.510 1.00 0.00 C ATOM 1087 O ARG A 75 9.875 -0.752 -2.175 1.00 0.00 O ATOM 1088 CB ARG A 75 10.017 -3.553 -1.381 1.00 0.00 C ATOM 1089 CG ARG A 75 10.363 -3.567 0.109 1.00 0.00 C ATOM 1090 CD ARG A 75 11.260 -4.758 0.453 1.00 0.00 C ATOM 1091 NE ARG A 75 12.656 -4.473 0.050 1.00 0.00 N ATOM 1092 CZ ARG A 75 13.600 -5.411 -0.103 1.00 0.00 C ATOM 1093 NH1 ARG A 75 13.305 -6.700 0.113 1.00 0.00 N ATOM 1094 NH2 ARG A 75 14.840 -5.060 -0.471 1.00 0.00 N ATOM 0 H ARG A 75 8.814 -3.601 -3.563 1.00 0.00 H new ATOM 0 HA ARG A 75 7.981 -3.088 -0.893 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.916 -4.576 -1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.831 -3.095 -1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.867 -2.638 0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.447 -3.615 0.698 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.216 -4.960 1.523 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.901 -5.653 -0.056 1.00 0.00 H new ATOM 0 HE ARG A 75 12.915 -3.502 -0.122 1.00 0.00 H new ATOM 0 HH11 ARG A 75 12.362 -6.967 0.394 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.024 -7.414 -0.004 1.00 0.00 H new ATOM 0 HH21 ARG A 75 15.065 -4.079 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.559 -5.774 -0.587 1.00 0.00 H new ATOM 1108 N HIS A 76 8.206 -0.645 -0.652 1.00 0.00 N ATOM 1109 CA HIS A 76 8.349 0.784 -0.430 1.00 0.00 C ATOM 1110 C HIS A 76 7.636 1.550 -1.546 1.00 0.00 C ATOM 1111 O HIS A 76 8.264 2.310 -2.282 1.00 0.00 O ATOM 1112 CB HIS A 76 9.824 1.168 -0.297 1.00 0.00 C ATOM 1113 CG HIS A 76 10.632 0.216 0.552 1.00 0.00 C ATOM 1114 ND1 HIS A 76 11.923 -0.167 0.229 1.00 0.00 N ATOM 1115 CD2 HIS A 76 10.320 -0.426 1.715 1.00 0.00 C ATOM 1116 CE1 HIS A 76 12.357 -1.002 1.162 1.00 0.00 C ATOM 1117 NE2 HIS A 76 11.363 -1.161 2.082 1.00 0.00 N ATOM 0 H HIS A 76 7.471 -1.090 -0.102 1.00 0.00 H new ATOM 0 HA HIS A 76 7.875 1.059 0.513 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.267 1.217 -1.292 1.00 0.00 H new ATOM 0 HB3 HIS A 76 9.891 2.168 0.132 1.00 0.00 H new ATOM 0 HD2 HIS A 76 9.383 -0.349 2.247 1.00 0.00 H new ATOM 0 HE1 HIS A 76 13.328 -1.474 1.189 1.00 0.00 H new ATOM 0 HE2 HIS A 76 11.413 -1.748 2.915 1.00 0.00 H new ATOM 1125 N THR A 77 6.334 1.324 -1.636 1.00 0.00 N ATOM 1126 CA THR A 77 5.528 1.983 -2.650 1.00 0.00 C ATOM 1127 C THR A 77 4.321 2.671 -2.008 1.00 0.00 C ATOM 1128 O THR A 77 3.850 2.248 -0.953 1.00 0.00 O ATOM 1129 CB THR A 77 5.145 0.941 -3.702 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.772 -0.203 -2.938 1.00 0.00 O ATOM 1131 CG2 THR A 77 6.347 0.466 -4.521 1.00 0.00 C ATOM 0 H THR A 77 5.817 0.694 -1.023 1.00 0.00 H new ATOM 0 HA THR A 77 6.088 2.775 -3.146 1.00 0.00 H new ATOM 0 HB THR A 77 4.393 1.360 -4.371 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.530 -0.822 -2.884 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.020 -0.273 -5.253 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.794 1.315 -5.038 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.085 0.016 -3.857 1.00 0.00 H new ATOM 1139 N PRO A 78 3.843 3.746 -2.689 1.00 0.00 N ATOM 1140 CA PRO A 78 2.700 4.496 -2.196 1.00 0.00 C ATOM 1141 C PRO A 78 1.398 3.727 -2.429 1.00 0.00 C ATOM 1142 O PRO A 78 0.925 3.628 -3.560 1.00 0.00 O ATOM 1143 CB PRO A 78 2.749 5.821 -2.940 1.00 0.00 C ATOM 1144 CG PRO A 78 3.636 5.586 -4.152 1.00 0.00 C ATOM 1145 CD PRO A 78 4.376 4.276 -3.941 1.00 0.00 C ATOM 0 HA PRO A 78 2.735 4.658 -1.119 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.750 6.136 -3.242 1.00 0.00 H new ATOM 0 HB3 PRO A 78 3.154 6.610 -2.306 1.00 0.00 H new ATOM 0 HG2 PRO A 78 3.036 5.544 -5.061 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.342 6.408 -4.274 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.204 3.587 -4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.452 4.435 -3.877 1.00 0.00 H new ATOM 1153 N LEU A 79 0.856 3.203 -1.340 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.382 2.445 -1.411 1.00 0.00 C ATOM 1155 C LEU A 79 -1.566 3.414 -1.450 1.00 0.00 C ATOM 1156 O LEU A 79 -2.420 3.321 -2.331 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.456 1.431 -0.268 1.00 0.00 C ATOM 1158 CG LEU A 79 0.760 0.516 -0.104 1.00 0.00 C ATOM 1159 CD1 LEU A 79 0.579 -0.427 1.088 1.00 0.00 C ATOM 1160 CD2 LEU A 79 1.052 -0.245 -1.398 1.00 0.00 C ATOM 0 H LEU A 79 1.251 3.288 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.418 1.859 -2.329 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.605 1.975 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.337 0.808 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 79 1.630 1.138 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.457 -1.066 1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.456 0.158 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.305 -1.045 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.921 -0.888 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.189 -0.855 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.255 0.465 -2.200 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.579 4.322 -0.485 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.644 5.307 -0.399 1.00 0.00 C ATOM 1174 C VAL A 80 -2.032 6.701 -0.247 1.00 0.00 C ATOM 1175 O VAL A 80 -0.869 6.834 0.130 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.600 4.945 0.740 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.514 3.785 0.341 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -2.828 4.621 2.021 1.00 0.00 C ATOM 0 H VAL A 80 -0.869 4.396 0.244 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.237 5.311 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.229 5.813 0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.183 3.548 1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.102 4.069 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.909 2.911 0.102 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.530 4.367 2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.163 3.776 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.240 5.488 2.321 1.00 0.00 H new ATOM 1188 N GLU A 81 -2.844 7.704 -0.547 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.397 9.083 -0.449 1.00 0.00 C ATOM 1190 C GLU A 81 -3.280 9.858 0.531 1.00 0.00 C ATOM 1191 O GLU A 81 -4.505 9.832 0.423 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.383 9.755 -1.823 1.00 0.00 C ATOM 1193 CG GLU A 81 -1.562 11.045 -1.795 1.00 0.00 C ATOM 1194 CD GLU A 81 -0.282 10.900 -2.622 1.00 0.00 C ATOM 1195 OE1 GLU A 81 0.637 10.212 -2.129 1.00 0.00 O ATOM 1196 OE2 GLU A 81 -0.253 11.481 -3.728 1.00 0.00 O ATOM 0 H GLU A 81 -3.809 7.589 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.375 9.087 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.966 9.071 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.404 9.976 -2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.160 11.869 -2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.307 11.296 -0.765 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.624 10.530 1.466 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.334 11.312 2.464 1.00 0.00 C ATOM 1205 C PHE A 82 -3.691 12.698 1.923 1.00 0.00 C ATOM 1206 O PHE A 82 -3.030 13.203 1.017 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.393 11.470 3.660 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.417 10.288 4.631 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.583 9.919 5.225 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.271 9.607 4.901 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -3.605 8.822 6.126 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.292 8.510 5.802 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.459 8.141 6.396 1.00 0.00 C ATOM 0 H PHE A 82 -1.608 10.549 1.553 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.261 10.810 2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.375 11.605 3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.660 12.377 4.202 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.493 10.461 5.011 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.345 9.901 4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.532 8.528 6.597 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.382 7.969 6.016 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.475 7.307 7.082 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.735 13.273 2.502 1.00 0.00 N ATOM 1224 CA GLU A 83 -5.187 14.590 2.089 1.00 0.00 C ATOM 1225 C GLU A 83 -4.176 15.656 2.515 1.00 0.00 C ATOM 1226 O GLU A 83 -3.249 15.371 3.272 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.576 14.895 2.655 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.673 14.415 1.704 1.00 0.00 C ATOM 1229 CD GLU A 83 -7.977 15.471 0.640 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -7.297 15.433 -0.408 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -8.883 16.292 0.898 1.00 0.00 O ATOM 0 H GLU A 83 -5.280 12.851 3.253 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.262 14.602 1.002 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.692 14.410 3.624 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.677 15.967 2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.362 13.488 1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.578 14.193 2.270 1.00 0.00 H new ATOM 1238 N GLU A 84 -4.387 16.863 2.009 1.00 0.00 N ATOM 1239 CA GLU A 84 -3.505 17.973 2.327 1.00 0.00 C ATOM 1240 C GLU A 84 -3.742 18.444 3.764 1.00 0.00 C ATOM 1241 O GLU A 84 -4.680 19.194 4.028 1.00 0.00 O ATOM 1242 CB GLU A 84 -3.691 19.123 1.336 1.00 0.00 C ATOM 1243 CG GLU A 84 -2.346 19.587 0.776 1.00 0.00 C ATOM 1244 CD GLU A 84 -2.452 20.998 0.193 1.00 0.00 C ATOM 1245 OE1 GLU A 84 -2.359 21.952 0.995 1.00 0.00 O ATOM 1246 OE2 GLU A 84 -2.622 21.090 -1.042 1.00 0.00 O ATOM 0 H GLU A 84 -5.156 17.096 1.381 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.474 17.628 2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.338 18.803 0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.190 19.956 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.595 19.571 1.565 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.011 18.895 0.003 1.00 0.00 H new ATOM 1253 N GLU A 85 -2.874 17.984 4.654 1.00 0.00 N ATOM 1254 CA GLU A 85 -2.977 18.349 6.056 1.00 0.00 C ATOM 1255 C GLU A 85 -2.465 19.774 6.273 1.00 0.00 C ATOM 1256 O GLU A 85 -2.087 20.453 5.319 1.00 0.00 O ATOM 1257 CB GLU A 85 -2.220 17.354 6.939 1.00 0.00 C ATOM 1258 CG GLU A 85 -0.708 17.503 6.759 1.00 0.00 C ATOM 1259 CD GLU A 85 -0.016 17.731 8.105 1.00 0.00 C ATOM 1260 OE1 GLU A 85 -0.555 18.540 8.891 1.00 0.00 O ATOM 1261 OE2 GLU A 85 1.036 17.090 8.318 1.00 0.00 O ATOM 0 H GLU A 85 -2.097 17.362 4.431 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.028 18.314 6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -2.483 17.516 7.984 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.521 16.337 6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.304 16.608 6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.498 18.339 6.092 1.00 0.00 H new ATOM 1268 N GLU A 86 -2.468 20.185 7.532 1.00 0.00 N ATOM 1269 CA GLU A 86 -2.009 21.517 7.886 1.00 0.00 C ATOM 1270 C GLU A 86 -0.619 21.773 7.299 1.00 0.00 C ATOM 1271 O GLU A 86 0.008 20.862 6.760 1.00 0.00 O ATOM 1272 CB GLU A 86 -2.007 21.712 9.404 1.00 0.00 C ATOM 1273 CG GLU A 86 -3.222 22.526 9.853 1.00 0.00 C ATOM 1274 CD GLU A 86 -4.459 21.635 9.988 1.00 0.00 C ATOM 1275 OE1 GLU A 86 -4.772 20.944 8.995 1.00 0.00 O ATOM 1276 OE2 GLU A 86 -5.064 21.666 11.082 1.00 0.00 O ATOM 0 H GLU A 86 -2.781 19.619 8.320 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.702 22.243 7.461 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -2.012 20.741 9.899 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -1.092 22.220 9.708 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.010 23.007 10.808 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.418 23.320 9.133 1.00 0.00 H new ATOM 1283 N SER A 87 -0.178 23.016 7.425 1.00 0.00 N ATOM 1284 CA SER A 87 1.126 23.402 6.913 1.00 0.00 C ATOM 1285 C SER A 87 2.209 23.078 7.944 1.00 0.00 C ATOM 1286 O SER A 87 3.148 22.339 7.651 1.00 0.00 O ATOM 1287 CB SER A 87 1.160 24.890 6.559 1.00 0.00 C ATOM 1288 OG SER A 87 1.287 25.102 5.156 1.00 0.00 O ATOM 0 H SER A 87 -0.700 23.768 7.874 1.00 0.00 H new ATOM 0 HA SER A 87 1.318 22.835 6.002 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.249 25.369 6.917 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.994 25.366 7.075 1.00 0.00 H new ATOM 0 HG SER A 87 1.303 26.064 4.971 1.00 0.00 H new ATOM 1294 N ASP A 88 2.043 23.646 9.129 1.00 0.00 N ATOM 1295 CA ASP A 88 2.995 23.426 10.204 1.00 0.00 C ATOM 1296 C ASP A 88 2.289 22.733 11.372 1.00 0.00 C ATOM 1297 O ASP A 88 1.722 23.395 12.240 1.00 0.00 O ATOM 1298 CB ASP A 88 3.565 24.750 10.715 1.00 0.00 C ATOM 1299 CG ASP A 88 5.047 24.714 11.093 1.00 0.00 C ATOM 1300 OD1 ASP A 88 5.493 23.635 11.537 1.00 0.00 O ATOM 1301 OD2 ASP A 88 5.700 25.768 10.929 1.00 0.00 O ATOM 0 H ASP A 88 1.263 24.258 9.368 1.00 0.00 H new ATOM 0 HA ASP A 88 3.806 22.811 9.815 1.00 0.00 H new ATOM 0 HB2 ASP A 88 3.420 25.511 9.948 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.991 25.063 11.587 1.00 0.00 H new ATOM 1306 N LYS A 89 2.345 21.410 11.354 1.00 0.00 N ATOM 1307 CA LYS A 89 1.717 20.620 12.401 1.00 0.00 C ATOM 1308 C LYS A 89 0.248 21.027 12.529 1.00 0.00 C ATOM 1309 O LYS A 89 -0.200 21.963 11.869 1.00 0.00 O ATOM 1310 CB LYS A 89 2.505 20.740 13.707 1.00 0.00 C ATOM 1311 CG LYS A 89 3.538 19.617 13.829 1.00 0.00 C ATOM 1312 CD LYS A 89 4.950 20.141 13.561 1.00 0.00 C ATOM 1313 CE LYS A 89 5.848 19.034 13.005 1.00 0.00 C ATOM 1314 NZ LYS A 89 6.234 18.091 14.078 1.00 0.00 N ATOM 0 H LYS A 89 2.815 20.864 10.632 1.00 0.00 H new ATOM 0 HA LYS A 89 1.733 19.561 12.142 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.007 21.707 13.746 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.820 20.703 14.554 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.491 19.181 14.827 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.301 18.821 13.123 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.907 20.969 12.853 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.378 20.533 14.484 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.326 18.498 12.212 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.741 19.472 12.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.843 17.346 13.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.751 18.603 14.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.380 17.660 14.485 1.00 0.00 H new ATOM 1328 N ARG A 90 -0.461 20.304 13.383 1.00 0.00 N ATOM 1329 CA ARG A 90 -1.870 20.578 13.606 1.00 0.00 C ATOM 1330 C ARG A 90 -2.038 21.676 14.658 1.00 0.00 C ATOM 1331 O ARG A 90 -1.073 22.061 15.317 1.00 0.00 O ATOM 1332 CB ARG A 90 -2.609 19.320 14.069 1.00 0.00 C ATOM 1333 CG ARG A 90 -3.973 19.202 13.385 1.00 0.00 C ATOM 1334 CD ARG A 90 -5.085 18.985 14.413 1.00 0.00 C ATOM 1335 NE ARG A 90 -6.245 19.846 14.093 1.00 0.00 N ATOM 1336 CZ ARG A 90 -7.482 19.647 14.568 1.00 0.00 C ATOM 1337 NH1 ARG A 90 -7.728 18.614 15.386 1.00 0.00 N ATOM 1338 NH2 ARG A 90 -8.474 20.479 14.224 1.00 0.00 N ATOM 0 H ARG A 90 -0.086 19.528 13.929 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.297 20.909 12.659 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -2.009 18.438 13.845 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -2.742 19.349 15.150 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.175 20.106 12.811 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.959 18.372 12.679 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.389 17.938 14.417 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.717 19.214 15.413 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.094 20.641 13.472 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.973 17.979 15.647 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.670 18.463 15.747 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.288 21.264 13.600 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.416 20.327 14.586 1.00 0.00 H new ATOM 1352 N GLU A 91 -3.269 22.150 14.782 1.00 0.00 N ATOM 1353 CA GLU A 91 -3.575 23.196 15.742 1.00 0.00 C ATOM 1354 C GLU A 91 -2.840 22.939 17.060 1.00 0.00 C ATOM 1355 O GLU A 91 -2.089 23.790 17.532 1.00 0.00 O ATOM 1356 CB GLU A 91 -5.083 23.309 15.969 1.00 0.00 C ATOM 1357 CG GLU A 91 -5.494 24.762 16.213 1.00 0.00 C ATOM 1358 CD GLU A 91 -6.897 24.841 16.819 1.00 0.00 C ATOM 1359 OE1 GLU A 91 -7.860 24.623 16.053 1.00 0.00 O ATOM 1360 OE2 GLU A 91 -6.975 25.117 18.036 1.00 0.00 O ATOM 0 H GLU A 91 -4.066 21.828 14.233 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.230 24.147 15.335 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.615 22.918 15.102 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.372 22.697 16.823 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.778 25.239 16.882 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.468 25.314 15.273 1.00 0.00 H new ATOM 1367 N SER A 92 -3.083 21.760 17.615 1.00 0.00 N ATOM 1368 CA SER A 92 -2.454 21.380 18.869 1.00 0.00 C ATOM 1369 C SER A 92 -2.726 22.444 19.934 1.00 0.00 C ATOM 1370 O SER A 92 -3.232 23.522 19.626 1.00 0.00 O ATOM 1371 CB SER A 92 -0.948 21.179 18.690 1.00 0.00 C ATOM 1372 OG SER A 92 -0.565 19.820 18.876 1.00 0.00 O ATOM 0 H SER A 92 -3.706 21.056 17.220 1.00 0.00 H new ATOM 0 HA SER A 92 -2.883 20.432 19.195 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.655 21.505 17.692 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.411 21.807 19.401 1.00 0.00 H new ATOM 0 HG SER A 92 0.403 19.733 18.752 1.00 0.00 H new ATOM 1378 N GLU A 93 -2.377 22.104 21.166 1.00 0.00 N ATOM 1379 CA GLU A 93 -2.576 23.016 22.279 1.00 0.00 C ATOM 1380 C GLU A 93 -1.370 22.979 23.219 1.00 0.00 C ATOM 1381 O GLU A 93 -1.428 22.369 24.286 1.00 0.00 O ATOM 1382 CB GLU A 93 -3.868 22.689 23.031 1.00 0.00 C ATOM 1383 CG GLU A 93 -4.255 23.828 23.978 1.00 0.00 C ATOM 1384 CD GLU A 93 -3.962 23.454 25.433 1.00 0.00 C ATOM 1385 OE1 GLU A 93 -2.806 23.675 25.854 1.00 0.00 O ATOM 1386 OE2 GLU A 93 -4.901 22.957 26.090 1.00 0.00 O ATOM 0 H GLU A 93 -1.957 21.209 21.418 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.671 24.027 21.882 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -4.674 22.515 22.318 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.739 21.767 23.598 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.704 24.730 23.712 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.315 24.057 23.864 1.00 0.00 H new ATOM 1393 N SER A 94 -0.304 23.639 22.790 1.00 0.00 N ATOM 1394 CA SER A 94 0.914 23.689 23.580 1.00 0.00 C ATOM 1395 C SER A 94 1.297 25.143 23.859 1.00 0.00 C ATOM 1396 O SER A 94 0.753 26.061 23.247 1.00 0.00 O ATOM 1397 CB SER A 94 2.060 22.965 22.870 1.00 0.00 C ATOM 1398 OG SER A 94 2.130 21.589 23.235 1.00 0.00 O ATOM 0 H SER A 94 -0.259 24.144 21.905 1.00 0.00 H new ATOM 0 HA SER A 94 0.730 23.181 24.526 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.928 23.048 21.791 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.004 23.453 23.114 1.00 0.00 H new ATOM 0 HG SER A 94 2.873 21.162 22.760 1.00 0.00 H new ATOM 1404 N GLY A 95 2.231 25.308 24.785 1.00 0.00 N ATOM 1405 CA GLY A 95 2.693 26.636 25.153 1.00 0.00 C ATOM 1406 C GLY A 95 4.222 26.692 25.196 1.00 0.00 C ATOM 1407 O GLY A 95 4.880 25.665 25.354 1.00 0.00 O ATOM 0 H GLY A 95 2.680 24.545 25.291 1.00 0.00 H new ATOM 0 HA2 GLY A 95 2.319 27.367 24.436 1.00 0.00 H new ATOM 0 HA3 GLY A 95 2.288 26.909 26.127 1.00 0.00 H new ATOM 1411 N PRO A 96 4.756 27.934 25.048 1.00 0.00 N ATOM 1412 CA PRO A 96 6.194 28.138 25.068 1.00 0.00 C ATOM 1413 C PRO A 96 6.743 28.034 26.493 1.00 0.00 C ATOM 1414 O PRO A 96 5.993 27.772 27.432 1.00 0.00 O ATOM 1415 CB PRO A 96 6.406 29.509 24.448 1.00 0.00 C ATOM 1416 CG PRO A 96 5.063 30.216 24.531 1.00 0.00 C ATOM 1417 CD PRO A 96 4.007 29.173 24.858 1.00 0.00 C ATOM 0 HA PRO A 96 6.735 27.375 24.508 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.174 30.066 24.985 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.739 29.423 23.414 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.086 30.990 25.298 1.00 0.00 H new ATOM 0 HG3 PRO A 96 4.832 30.710 23.587 1.00 0.00 H new ATOM 0 HD2 PRO A 96 3.451 29.441 25.756 1.00 0.00 H new ATOM 0 HD3 PRO A 96 3.281 29.077 24.050 1.00 0.00 H new ATOM 1425 N SER A 97 8.046 28.244 26.607 1.00 0.00 N ATOM 1426 CA SER A 97 8.703 28.177 27.901 1.00 0.00 C ATOM 1427 C SER A 97 8.624 26.753 28.456 1.00 0.00 C ATOM 1428 O SER A 97 7.562 26.132 28.432 1.00 0.00 O ATOM 1429 CB SER A 97 8.080 29.166 28.888 1.00 0.00 C ATOM 1430 OG SER A 97 8.244 30.517 28.465 1.00 0.00 O ATOM 0 H SER A 97 8.664 28.461 25.825 1.00 0.00 H new ATOM 0 HA SER A 97 9.750 28.450 27.766 1.00 0.00 H new ATOM 0 HB2 SER A 97 7.018 28.947 28.999 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.537 29.035 29.869 1.00 0.00 H new ATOM 0 HG SER A 97 7.831 31.117 29.121 1.00 0.00 H new ATOM 1436 N SER A 98 9.761 26.278 28.943 1.00 0.00 N ATOM 1437 CA SER A 98 9.833 24.939 29.502 1.00 0.00 C ATOM 1438 C SER A 98 11.188 24.728 30.181 1.00 0.00 C ATOM 1439 O SER A 98 12.076 24.091 29.617 1.00 0.00 O ATOM 1440 CB SER A 98 9.609 23.878 28.423 1.00 0.00 C ATOM 1441 OG SER A 98 9.908 22.566 28.893 1.00 0.00 O ATOM 0 H SER A 98 10.639 26.796 28.962 1.00 0.00 H new ATOM 0 HA SER A 98 9.041 24.835 30.244 1.00 0.00 H new ATOM 0 HB2 SER A 98 8.573 23.915 28.088 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.232 24.104 27.558 1.00 0.00 H new ATOM 0 HG SER A 98 9.751 21.918 28.175 1.00 0.00 H new ATOM 1447 N GLY A 99 11.304 25.274 31.382 1.00 0.00 N ATOM 1448 CA GLY A 99 12.535 25.154 32.144 1.00 0.00 C ATOM 1449 C GLY A 99 12.430 24.037 33.184 1.00 0.00 C ATOM 1450 O GLY A 99 12.518 24.292 34.384 1.00 0.00 O ATOM 0 H GLY A 99 10.565 25.801 31.847 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.366 24.950 31.469 1.00 0.00 H new ATOM 0 HA3 GLY A 99 12.753 26.099 32.641 1.00 0.00 H new TER 1454 GLY A 99