USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 617 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 31 MET CE :methyl -152:sc= -1.76 (180deg=-1.77) USER MOD Set 1.2: A 53 MET CE :methyl 144:sc= -0.315 (180deg=-0.441) USER MOD Set 2.1: A 21 MET CE :methyl -177:sc= -2.51 (180deg=-2.24) USER MOD Set 2.2: A 47 MET CE :methyl 144:sc= -1.32 (180deg=-3.24!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 42:sc= 0.438 USER MOD Single : A 5 SER OG : rot 24:sc= 0.887 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0953 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 22 SER OG : rot -70:sc= 0.861 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.34) USER MOD Single : A 29 THR OG1 : rot -18:sc= 0.142 USER MOD Single : A 43 LYS NZ :NH3+ 164:sc=-0.00863 (180deg=-0.138) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -4.59! C(o=-4.6!,f=-4.3!) USER MOD Single : A 46 ASN : amide:sc=-0.000109 X(o=-0.00011,f=0) USER MOD Single : A 48 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.3) USER MOD Single : A 51 GLN : amide:sc= -0.316 K(o=-0.32,f=-2.2) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00652) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 154:sc= -0.0785 (180deg=-0.623) USER MOD Single : A 71 THR OG1 : rot 61:sc= 0.339 USER MOD Single : A 73 HIS : no HD1:sc= -0.977 X(o=-0.98,f=-0.49) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0693) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.823 11.891 -11.638 1.00 0.00 N ATOM 2 CA GLY A 1 -3.441 12.720 -12.656 1.00 0.00 C ATOM 3 C GLY A 1 -2.715 14.037 -12.850 1.00 0.00 C ATOM 4 O GLY A 1 -3.199 15.088 -12.431 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.356 11.003 -11.543 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.842 11.679 -11.911 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.828 12.396 -10.729 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.460 12.176 -13.601 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.477 12.917 -12.380 1.00 0.00 H new ATOM 8 N SER A 2 -1.550 13.980 -13.486 1.00 0.00 N ATOM 9 CA SER A 2 -0.753 15.177 -13.730 1.00 0.00 C ATOM 10 C SER A 2 0.238 14.947 -14.868 1.00 0.00 C ATOM 11 O SER A 2 0.480 13.811 -15.275 1.00 0.00 O ATOM 12 CB SER A 2 -0.003 15.584 -12.461 1.00 0.00 C ATOM 13 OG SER A 2 0.321 16.963 -12.480 1.00 0.00 O ATOM 0 H SER A 2 -1.137 13.118 -13.842 1.00 0.00 H new ATOM 0 HA SER A 2 -1.430 15.982 -14.017 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.615 15.363 -11.587 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.909 14.994 -12.369 1.00 0.00 H new ATOM 0 HG SER A 2 0.798 17.198 -11.657 1.00 0.00 H new ATOM 19 N SER A 3 0.807 16.035 -15.377 1.00 0.00 N ATOM 20 CA SER A 3 1.769 15.954 -16.470 1.00 0.00 C ATOM 21 C SER A 3 2.532 17.266 -16.620 1.00 0.00 C ATOM 22 O SER A 3 1.948 18.307 -16.916 1.00 0.00 O ATOM 23 CB SER A 3 1.056 15.613 -17.780 1.00 0.00 C ATOM 24 OG SER A 3 0.037 16.555 -18.067 1.00 0.00 O ATOM 0 H SER A 3 0.619 16.983 -15.050 1.00 0.00 H new ATOM 0 HA SER A 3 2.482 15.164 -16.236 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.778 15.594 -18.596 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.624 14.614 -17.713 1.00 0.00 H new ATOM 0 HG SER A 3 0.362 17.458 -17.871 1.00 0.00 H new ATOM 30 N GLY A 4 3.845 17.207 -16.413 1.00 0.00 N ATOM 31 CA GLY A 4 4.668 18.396 -16.529 1.00 0.00 C ATOM 32 C GLY A 4 6.128 18.122 -16.227 1.00 0.00 C ATOM 33 O GLY A 4 6.733 18.795 -15.393 1.00 0.00 O ATOM 0 H GLY A 4 4.352 16.357 -16.167 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.578 18.799 -17.538 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.296 19.160 -15.846 1.00 0.00 H new ATOM 37 N SER A 5 6.695 17.129 -16.905 1.00 0.00 N ATOM 38 CA SER A 5 8.092 16.764 -16.700 1.00 0.00 C ATOM 39 C SER A 5 8.622 15.961 -17.884 1.00 0.00 C ATOM 40 O SER A 5 7.877 15.231 -18.538 1.00 0.00 O ATOM 41 CB SER A 5 8.246 15.954 -15.411 1.00 0.00 C ATOM 42 OG SER A 5 8.333 16.806 -14.282 1.00 0.00 O ATOM 0 H SER A 5 6.209 16.563 -17.601 1.00 0.00 H new ATOM 0 HA SER A 5 8.673 17.682 -16.615 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.397 15.280 -15.298 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.140 15.333 -15.472 1.00 0.00 H new ATOM 0 HG SER A 5 7.913 17.667 -14.489 1.00 0.00 H new ATOM 48 N SER A 6 9.916 16.102 -18.154 1.00 0.00 N ATOM 49 CA SER A 6 10.547 15.393 -19.262 1.00 0.00 C ATOM 50 C SER A 6 12.036 15.188 -18.997 1.00 0.00 C ATOM 51 O SER A 6 12.589 15.733 -18.043 1.00 0.00 O ATOM 52 CB SER A 6 10.352 16.167 -20.567 1.00 0.00 C ATOM 53 OG SER A 6 10.531 15.323 -21.692 1.00 0.00 O ATOM 0 H SER A 6 10.548 16.700 -17.621 1.00 0.00 H new ATOM 0 HA SER A 6 10.073 14.416 -19.353 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.353 16.602 -20.590 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.061 16.994 -20.612 1.00 0.00 H new ATOM 0 HG SER A 6 10.399 15.841 -22.514 1.00 0.00 H new ATOM 59 N GLY A 7 12.678 14.396 -19.850 1.00 0.00 N ATOM 60 CA GLY A 7 14.097 14.131 -19.693 1.00 0.00 C ATOM 61 C GLY A 7 14.369 12.971 -18.756 1.00 0.00 C ATOM 62 O GLY A 7 13.820 11.883 -18.927 1.00 0.00 O ATOM 0 H GLY A 7 12.241 13.933 -20.647 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.534 13.916 -20.668 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.591 15.025 -19.312 1.00 0.00 H new ATOM 66 N GLY A 8 15.222 13.202 -17.762 1.00 0.00 N ATOM 67 CA GLY A 8 15.552 12.157 -16.811 1.00 0.00 C ATOM 68 C GLY A 8 16.686 12.553 -15.886 1.00 0.00 C ATOM 69 O GLY A 8 17.715 11.880 -15.830 1.00 0.00 O ATOM 0 H GLY A 8 15.690 14.094 -17.599 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.670 11.918 -16.218 1.00 0.00 H new ATOM 0 HA3 GLY A 8 15.827 11.251 -17.352 1.00 0.00 H new ATOM 73 N MET A 9 16.499 13.650 -15.159 1.00 0.00 N ATOM 74 CA MET A 9 17.515 14.135 -14.232 1.00 0.00 C ATOM 75 C MET A 9 17.825 13.087 -13.168 1.00 0.00 C ATOM 76 O MET A 9 17.195 13.056 -12.110 1.00 0.00 O ATOM 77 CB MET A 9 17.052 15.433 -13.567 1.00 0.00 C ATOM 78 CG MET A 9 18.196 16.318 -13.101 1.00 0.00 C ATOM 79 SD MET A 9 19.157 16.991 -14.470 1.00 0.00 S ATOM 80 CE MET A 9 20.621 17.559 -13.610 1.00 0.00 C ATOM 0 H MET A 9 15.654 14.220 -15.194 1.00 0.00 H new ATOM 0 HA MET A 9 18.425 14.331 -14.799 1.00 0.00 H new ATOM 0 HB2 MET A 9 16.434 15.992 -14.270 1.00 0.00 H new ATOM 0 HB3 MET A 9 16.421 15.189 -12.712 1.00 0.00 H new ATOM 0 HG2 MET A 9 17.796 17.139 -12.505 1.00 0.00 H new ATOM 0 HG3 MET A 9 18.853 15.742 -12.449 1.00 0.00 H new ATOM 0 HE1 MET A 9 21.314 18.002 -14.325 1.00 0.00 H new ATOM 0 HE2 MET A 9 20.340 18.305 -12.867 1.00 0.00 H new ATOM 0 HE3 MET A 9 21.102 16.716 -13.114 1.00 0.00 H new ATOM 90 N LYS A 10 18.798 12.229 -13.454 1.00 0.00 N ATOM 91 CA LYS A 10 19.192 11.180 -12.521 1.00 0.00 C ATOM 92 C LYS A 10 20.460 11.570 -11.768 1.00 0.00 C ATOM 93 O LYS A 10 21.457 11.967 -12.372 1.00 0.00 O ATOM 94 CB LYS A 10 19.415 9.863 -13.268 1.00 0.00 C ATOM 95 CG LYS A 10 18.132 9.223 -13.769 1.00 0.00 C ATOM 96 CD LYS A 10 17.364 8.556 -12.640 1.00 0.00 C ATOM 97 CE LYS A 10 15.979 8.116 -13.091 1.00 0.00 C ATOM 98 NZ LYS A 10 15.092 7.805 -11.936 1.00 0.00 N ATOM 0 H LYS A 10 19.329 12.239 -14.325 1.00 0.00 H new ATOM 0 HA LYS A 10 18.387 11.049 -11.798 1.00 0.00 H new ATOM 0 HB2 LYS A 10 20.076 10.043 -14.116 1.00 0.00 H new ATOM 0 HB3 LYS A 10 19.927 9.163 -12.608 1.00 0.00 H new ATOM 0 HG2 LYS A 10 17.505 9.981 -14.238 1.00 0.00 H new ATOM 0 HG3 LYS A 10 18.368 8.485 -14.536 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.922 7.692 -12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.272 9.248 -11.803 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.527 8.903 -13.695 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.067 7.236 -13.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 14.158 7.509 -12.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 15.511 7.037 -11.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.987 8.652 -11.341 1.00 0.00 H new ATOM 112 N THR A 11 20.416 11.452 -10.444 1.00 0.00 N ATOM 113 CA THR A 11 21.561 11.791 -9.608 1.00 0.00 C ATOM 114 C THR A 11 22.013 10.593 -8.782 1.00 0.00 C ATOM 115 O THR A 11 21.336 9.566 -8.739 1.00 0.00 O ATOM 116 CB THR A 11 21.236 12.961 -8.660 1.00 0.00 C ATOM 117 OG1 THR A 11 20.147 12.608 -7.801 1.00 0.00 O ATOM 118 CG2 THR A 11 20.882 14.214 -9.448 1.00 0.00 C ATOM 0 H THR A 11 19.599 11.124 -9.928 1.00 0.00 H new ATOM 0 HA THR A 11 22.366 12.089 -10.280 1.00 0.00 H new ATOM 0 HB THR A 11 22.121 13.168 -8.058 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.948 13.357 -7.201 1.00 0.00 H new ATOM 0 HG21 THR A 11 20.656 15.027 -8.757 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.725 14.497 -10.079 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.011 14.017 -10.073 1.00 0.00 H new ATOM 126 N SER A 12 23.161 10.731 -8.127 1.00 0.00 N ATOM 127 CA SER A 12 23.705 9.658 -7.303 1.00 0.00 C ATOM 128 C SER A 12 23.446 9.923 -5.824 1.00 0.00 C ATOM 129 O SER A 12 22.783 9.139 -5.147 1.00 0.00 O ATOM 130 CB SER A 12 25.208 9.508 -7.551 1.00 0.00 C ATOM 131 OG SER A 12 25.876 10.748 -7.395 1.00 0.00 O ATOM 0 H SER A 12 23.733 11.575 -8.151 1.00 0.00 H new ATOM 0 HA SER A 12 23.204 8.731 -7.580 1.00 0.00 H new ATOM 0 HB2 SER A 12 25.623 8.778 -6.857 1.00 0.00 H new ATOM 0 HB3 SER A 12 25.377 9.124 -8.557 1.00 0.00 H new ATOM 0 HG SER A 12 26.835 10.626 -7.557 1.00 0.00 H new ATOM 137 N GLY A 13 23.976 11.037 -5.327 1.00 0.00 N ATOM 138 CA GLY A 13 23.793 11.388 -3.931 1.00 0.00 C ATOM 139 C GLY A 13 24.069 10.224 -2.999 1.00 0.00 C ATOM 140 O GLY A 13 24.697 9.240 -3.392 1.00 0.00 O ATOM 0 H GLY A 13 24.529 11.703 -5.867 1.00 0.00 H new ATOM 0 HA2 GLY A 13 24.455 12.217 -3.678 1.00 0.00 H new ATOM 0 HA3 GLY A 13 22.772 11.737 -3.778 1.00 0.00 H new ATOM 144 N LYS A 14 23.601 10.335 -1.761 1.00 0.00 N ATOM 145 CA LYS A 14 23.801 9.285 -0.770 1.00 0.00 C ATOM 146 C LYS A 14 22.919 8.077 -1.071 1.00 0.00 C ATOM 147 O LYS A 14 21.922 8.189 -1.785 1.00 0.00 O ATOM 148 CB LYS A 14 23.496 9.815 0.633 1.00 0.00 C ATOM 149 CG LYS A 14 24.647 10.586 1.256 1.00 0.00 C ATOM 150 CD LYS A 14 25.782 9.661 1.664 1.00 0.00 C ATOM 151 CE LYS A 14 25.566 9.097 3.060 1.00 0.00 C ATOM 152 NZ LYS A 14 26.854 8.778 3.735 1.00 0.00 N ATOM 0 H LYS A 14 23.080 11.143 -1.420 1.00 0.00 H new ATOM 0 HA LYS A 14 24.844 8.972 -0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 14 22.620 10.462 0.585 1.00 0.00 H new ATOM 0 HB3 LYS A 14 23.238 8.977 1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 14 25.017 11.326 0.546 1.00 0.00 H new ATOM 0 HG3 LYS A 14 24.290 11.132 2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 14 25.861 8.843 0.948 1.00 0.00 H new ATOM 0 HD3 LYS A 14 26.726 10.205 1.632 1.00 0.00 H new ATOM 0 HE2 LYS A 14 25.010 9.817 3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 14 24.956 8.196 2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 26.664 8.396 4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 27.374 8.072 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 27.426 9.643 3.818 1.00 0.00 H new ATOM 166 N GLN A 15 23.292 6.926 -0.522 1.00 0.00 N ATOM 167 CA GLN A 15 22.533 5.699 -0.732 1.00 0.00 C ATOM 168 C GLN A 15 22.040 5.129 0.594 1.00 0.00 C ATOM 169 O GLN A 15 22.780 4.442 1.299 1.00 0.00 O ATOM 170 CB GLN A 15 23.392 4.662 -1.459 1.00 0.00 C ATOM 171 CG GLN A 15 24.743 4.425 -0.805 1.00 0.00 C ATOM 172 CD GLN A 15 25.710 3.689 -1.712 1.00 0.00 C ATOM 173 OE1 GLN A 15 25.335 3.219 -2.786 1.00 0.00 O ATOM 174 NE2 GLN A 15 26.962 3.585 -1.283 1.00 0.00 N ATOM 0 H GLN A 15 24.115 6.817 0.071 1.00 0.00 H new ATOM 0 HA GLN A 15 21.666 5.939 -1.347 1.00 0.00 H new ATOM 0 HB2 GLN A 15 22.848 3.718 -1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 15 23.548 4.988 -2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 15 25.177 5.383 -0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 15 24.603 3.852 0.112 1.00 0.00 H new ATOM 0 HE21 GLN A 15 27.229 3.990 -0.386 1.00 0.00 H new ATOM 0 HE22 GLN A 15 27.657 3.100 -1.851 1.00 0.00 H new ATOM 183 N ASP A 16 20.788 5.419 0.927 1.00 0.00 N ATOM 184 CA ASP A 16 20.196 4.935 2.169 1.00 0.00 C ATOM 185 C ASP A 16 18.835 4.296 1.910 1.00 0.00 C ATOM 186 O ASP A 16 17.917 4.949 1.415 1.00 0.00 O ATOM 187 CB ASP A 16 20.052 6.081 3.171 1.00 0.00 C ATOM 188 CG ASP A 16 21.375 6.758 3.471 1.00 0.00 C ATOM 189 OD1 ASP A 16 22.199 6.887 2.542 1.00 0.00 O ATOM 190 OD2 ASP A 16 21.588 7.157 4.636 1.00 0.00 O ATOM 0 H ASP A 16 20.163 5.987 0.355 1.00 0.00 H new ATOM 0 HA ASP A 16 20.859 4.178 2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 16 19.351 6.818 2.778 1.00 0.00 H new ATOM 0 HB3 ASP A 16 19.625 5.698 4.098 1.00 0.00 H new ATOM 195 N GLU A 17 18.714 3.016 2.246 1.00 0.00 N ATOM 196 CA GLU A 17 17.466 2.289 2.047 1.00 0.00 C ATOM 197 C GLU A 17 16.279 3.093 2.569 1.00 0.00 C ATOM 198 O GLU A 17 15.156 2.948 2.086 1.00 0.00 O ATOM 199 CB GLU A 17 17.523 0.930 2.749 1.00 0.00 C ATOM 200 CG GLU A 17 16.628 -0.121 2.114 1.00 0.00 C ATOM 201 CD GLU A 17 17.329 -0.900 1.018 1.00 0.00 C ATOM 202 OE1 GLU A 17 17.813 -0.265 0.058 1.00 0.00 O ATOM 203 OE2 GLU A 17 17.393 -2.142 1.121 1.00 0.00 O ATOM 0 H GLU A 17 19.465 2.461 2.657 1.00 0.00 H new ATOM 0 HA GLU A 17 17.334 2.132 0.976 1.00 0.00 H new ATOM 0 HB2 GLU A 17 18.552 0.570 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 17 17.236 1.057 3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 17 16.284 -0.813 2.883 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.743 0.363 1.701 1.00 0.00 H new ATOM 210 N ALA A 18 16.536 3.942 3.559 1.00 0.00 N ATOM 211 CA ALA A 18 15.490 4.771 4.146 1.00 0.00 C ATOM 212 C ALA A 18 14.780 5.597 3.078 1.00 0.00 C ATOM 213 O ALA A 18 13.562 5.513 2.924 1.00 0.00 O ATOM 214 CB ALA A 18 16.075 5.679 5.216 1.00 0.00 C ATOM 0 H ALA A 18 17.460 4.074 3.971 1.00 0.00 H new ATOM 0 HA ALA A 18 14.754 4.112 4.607 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.283 6.292 5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.530 5.072 5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.833 6.324 4.771 1.00 0.00 H new ATOM 220 N TRP A 19 15.550 6.394 2.345 1.00 0.00 N ATOM 221 CA TRP A 19 14.993 7.236 1.293 1.00 0.00 C ATOM 222 C TRP A 19 14.418 6.388 0.164 1.00 0.00 C ATOM 223 O TRP A 19 13.398 6.738 -0.430 1.00 0.00 O ATOM 224 CB TRP A 19 16.067 8.177 0.743 1.00 0.00 C ATOM 225 CG TRP A 19 16.952 7.535 -0.281 1.00 0.00 C ATOM 226 CD1 TRP A 19 18.251 7.147 -0.113 1.00 0.00 C ATOM 227 CD2 TRP A 19 16.604 7.207 -1.630 1.00 0.00 C ATOM 228 NE1 TRP A 19 18.732 6.598 -1.278 1.00 0.00 N ATOM 229 CE2 TRP A 19 17.741 6.623 -2.223 1.00 0.00 C ATOM 230 CE3 TRP A 19 15.443 7.349 -2.395 1.00 0.00 C ATOM 231 CZ2 TRP A 19 17.748 6.183 -3.544 1.00 0.00 C ATOM 232 CZ3 TRP A 19 15.452 6.912 -3.706 1.00 0.00 C ATOM 233 CH2 TRP A 19 16.597 6.334 -4.270 1.00 0.00 C ATOM 0 H TRP A 19 16.560 6.475 2.460 1.00 0.00 H new ATOM 0 HA TRP A 19 14.186 7.828 1.725 1.00 0.00 H new ATOM 0 HB2 TRP A 19 15.584 9.048 0.300 1.00 0.00 H new ATOM 0 HB3 TRP A 19 16.681 8.538 1.568 1.00 0.00 H new ATOM 0 HD1 TRP A 19 18.817 7.256 0.801 1.00 0.00 H new ATOM 0 HE1 TRP A 19 19.674 6.232 -1.416 1.00 0.00 H new ATOM 0 HE3 TRP A 19 14.555 7.792 -1.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 18.630 5.738 -3.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 14.561 7.018 -4.307 1.00 0.00 H new ATOM 0 HH2 TRP A 19 16.571 6.001 -5.297 1.00 0.00 H new ATOM 244 N ILE A 20 15.077 5.271 -0.127 1.00 0.00 N ATOM 245 CA ILE A 20 14.629 4.373 -1.183 1.00 0.00 C ATOM 246 C ILE A 20 13.241 3.817 -0.881 1.00 0.00 C ATOM 247 O ILE A 20 12.377 3.769 -1.756 1.00 0.00 O ATOM 248 CB ILE A 20 15.608 3.200 -1.378 1.00 0.00 C ATOM 249 CG1 ILE A 20 16.936 3.705 -1.945 1.00 0.00 C ATOM 250 CG2 ILE A 20 15.000 2.149 -2.294 1.00 0.00 C ATOM 251 CD1 ILE A 20 17.976 2.618 -2.108 1.00 0.00 C ATOM 0 H ILE A 20 15.923 4.967 0.354 1.00 0.00 H new ATOM 0 HA ILE A 20 14.591 4.960 -2.100 1.00 0.00 H new ATOM 0 HB ILE A 20 15.800 2.741 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.754 4.171 -2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.331 4.479 -1.288 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.704 1.327 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.077 1.772 -1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.782 2.594 -3.265 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.891 3.048 -2.514 1.00 0.00 H new ATOM 0 HD12 ILE A 20 18.186 2.167 -1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.600 1.854 -2.789 1.00 0.00 H new ATOM 263 N MET A 21 13.035 3.401 0.364 1.00 0.00 N ATOM 264 CA MET A 21 11.751 2.851 0.783 1.00 0.00 C ATOM 265 C MET A 21 10.597 3.646 0.179 1.00 0.00 C ATOM 266 O MET A 21 9.575 3.078 -0.207 1.00 0.00 O ATOM 267 CB MET A 21 11.644 2.854 2.309 1.00 0.00 C ATOM 268 CG MET A 21 10.406 2.144 2.833 1.00 0.00 C ATOM 269 SD MET A 21 10.683 0.386 3.119 1.00 0.00 S ATOM 270 CE MET A 21 9.001 -0.231 3.086 1.00 0.00 C ATOM 0 H MET A 21 13.740 3.434 1.100 1.00 0.00 H new ATOM 0 HA MET A 21 11.689 1.824 0.424 1.00 0.00 H new ATOM 0 HB2 MET A 21 12.530 2.378 2.728 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.639 3.885 2.663 1.00 0.00 H new ATOM 0 HG2 MET A 21 10.089 2.614 3.764 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.591 2.268 2.120 1.00 0.00 H new ATOM 0 HE1 MET A 21 9.001 -1.299 3.302 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.407 0.291 3.837 1.00 0.00 H new ATOM 0 HE3 MET A 21 8.570 -0.060 2.099 1.00 0.00 H new ATOM 280 N SER A 22 10.767 4.961 0.101 1.00 0.00 N ATOM 281 CA SER A 22 9.738 5.834 -0.452 1.00 0.00 C ATOM 282 C SER A 22 9.409 5.443 -1.890 1.00 0.00 C ATOM 283 O SER A 22 8.244 5.266 -2.246 1.00 0.00 O ATOM 284 CB SER A 22 10.194 7.293 -0.400 1.00 0.00 C ATOM 285 OG SER A 22 11.098 7.582 -1.452 1.00 0.00 O ATOM 0 H SER A 22 11.608 5.446 0.414 1.00 0.00 H new ATOM 0 HA SER A 22 8.838 5.721 0.152 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.328 7.951 -0.470 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.671 7.494 0.559 1.00 0.00 H new ATOM 0 HG SER A 22 11.951 7.131 -1.283 1.00 0.00 H new ATOM 291 N ARG A 23 10.445 5.309 -2.712 1.00 0.00 N ATOM 292 CA ARG A 23 10.268 4.941 -4.111 1.00 0.00 C ATOM 293 C ARG A 23 9.146 3.918 -4.266 1.00 0.00 C ATOM 294 O ARG A 23 8.183 4.144 -5.000 1.00 0.00 O ATOM 295 CB ARG A 23 11.571 4.375 -4.680 1.00 0.00 C ATOM 296 CG ARG A 23 12.668 5.415 -4.839 1.00 0.00 C ATOM 297 CD ARG A 23 13.746 4.944 -5.804 1.00 0.00 C ATOM 298 NE ARG A 23 13.357 5.142 -7.197 1.00 0.00 N ATOM 299 CZ ARG A 23 14.128 4.817 -8.229 1.00 0.00 C ATOM 300 NH1 ARG A 23 15.323 4.281 -8.024 1.00 0.00 N ATOM 301 NH2 ARG A 23 13.704 5.027 -9.468 1.00 0.00 N ATOM 0 H ARG A 23 11.416 5.450 -2.433 1.00 0.00 H new ATOM 0 HA ARG A 23 9.997 5.839 -4.666 1.00 0.00 H new ATOM 0 HB2 ARG A 23 11.928 3.580 -4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.368 3.922 -5.650 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.237 6.348 -5.201 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.115 5.626 -3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.672 5.485 -5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.951 3.887 -5.631 1.00 0.00 H new ATOM 0 HE ARG A 23 12.443 5.552 -7.389 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.652 4.117 -7.073 1.00 0.00 H new ATOM 0 HH12 ARG A 23 15.913 4.032 -8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.785 5.439 -9.630 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.297 4.777 -10.259 1.00 0.00 H new ATOM 315 N LEU A 24 9.278 2.793 -3.571 1.00 0.00 N ATOM 316 CA LEU A 24 8.276 1.735 -3.632 1.00 0.00 C ATOM 317 C LEU A 24 6.905 2.259 -3.217 1.00 0.00 C ATOM 318 O LEU A 24 5.878 1.807 -3.723 1.00 0.00 O ATOM 319 CB LEU A 24 8.683 0.568 -2.730 1.00 0.00 C ATOM 320 CG LEU A 24 10.090 0.011 -2.948 1.00 0.00 C ATOM 321 CD1 LEU A 24 10.416 -1.042 -1.900 1.00 0.00 C ATOM 322 CD2 LEU A 24 10.223 -0.570 -4.348 1.00 0.00 C ATOM 0 H LEU A 24 10.069 2.590 -2.959 1.00 0.00 H new ATOM 0 HA LEU A 24 8.214 1.386 -4.663 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.598 0.890 -1.692 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.967 -0.242 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 24 10.803 0.829 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.421 -1.427 -2.071 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.363 -0.596 -0.907 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.698 -1.859 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.231 -0.962 -4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.500 -1.375 -4.478 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.034 0.210 -5.085 1.00 0.00 H new ATOM 334 N ILE A 25 6.897 3.215 -2.294 1.00 0.00 N ATOM 335 CA ILE A 25 5.653 3.803 -1.814 1.00 0.00 C ATOM 336 C ILE A 25 4.986 4.641 -2.900 1.00 0.00 C ATOM 337 O ILE A 25 3.798 4.480 -3.182 1.00 0.00 O ATOM 338 CB ILE A 25 5.888 4.684 -0.573 1.00 0.00 C ATOM 339 CG1 ILE A 25 6.670 3.909 0.489 1.00 0.00 C ATOM 340 CG2 ILE A 25 4.561 5.172 -0.011 1.00 0.00 C ATOM 341 CD1 ILE A 25 5.799 3.033 1.361 1.00 0.00 C ATOM 0 H ILE A 25 7.738 3.599 -1.864 1.00 0.00 H new ATOM 0 HA ILE A 25 4.997 2.976 -1.543 1.00 0.00 H new ATOM 0 HB ILE A 25 6.477 5.553 -0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.418 3.288 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.208 4.616 1.121 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.744 5.793 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.038 5.757 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.949 4.316 0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.420 2.514 2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.067 3.651 1.882 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.281 2.302 0.740 1.00 0.00 H new ATOM 353 N LYS A 26 5.758 5.535 -3.508 1.00 0.00 N ATOM 354 CA LYS A 26 5.245 6.397 -4.565 1.00 0.00 C ATOM 355 C LYS A 26 4.274 5.637 -5.464 1.00 0.00 C ATOM 356 O LYS A 26 3.126 6.043 -5.636 1.00 0.00 O ATOM 357 CB LYS A 26 6.398 6.957 -5.401 1.00 0.00 C ATOM 358 CG LYS A 26 6.059 8.253 -6.115 1.00 0.00 C ATOM 359 CD LYS A 26 7.293 8.890 -6.732 1.00 0.00 C ATOM 360 CE LYS A 26 7.983 9.829 -5.754 1.00 0.00 C ATOM 361 NZ LYS A 26 8.722 10.915 -6.455 1.00 0.00 N ATOM 0 H LYS A 26 6.743 5.681 -3.286 1.00 0.00 H new ATOM 0 HA LYS A 26 4.709 7.223 -4.097 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.258 7.124 -4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.695 6.212 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.321 8.058 -6.893 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.603 8.949 -5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.989 8.111 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.010 9.441 -7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.241 10.267 -5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.675 9.261 -5.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.178 11.533 -5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.447 10.498 -7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.058 11.473 -7.028 1.00 0.00 H new ATOM 375 N GLN A 27 4.744 4.531 -6.033 1.00 0.00 N ATOM 376 CA GLN A 27 3.917 3.715 -6.913 1.00 0.00 C ATOM 377 C GLN A 27 2.529 3.506 -6.316 1.00 0.00 C ATOM 378 O GLN A 27 1.522 3.565 -7.023 1.00 0.00 O ATOM 379 CB GLN A 27 4.585 2.362 -7.167 1.00 0.00 C ATOM 380 CG GLN A 27 5.719 2.424 -8.177 1.00 0.00 C ATOM 381 CD GLN A 27 5.341 3.185 -9.433 1.00 0.00 C ATOM 382 OE1 GLN A 27 5.803 4.304 -9.657 1.00 0.00 O ATOM 383 NE2 GLN A 27 4.497 2.581 -10.260 1.00 0.00 N ATOM 0 H GLN A 27 5.693 4.180 -5.900 1.00 0.00 H new ATOM 0 HA GLN A 27 3.810 4.242 -7.861 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.970 1.974 -6.224 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.834 1.656 -7.520 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.585 2.899 -7.716 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.016 1.411 -8.446 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.139 1.653 -10.035 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.207 3.045 -11.121 1.00 0.00 H new ATOM 392 N LEU A 28 2.483 3.260 -5.012 1.00 0.00 N ATOM 393 CA LEU A 28 1.218 3.041 -4.319 1.00 0.00 C ATOM 394 C LEU A 28 0.484 4.359 -4.097 1.00 0.00 C ATOM 395 O LEU A 28 -0.671 4.515 -4.495 1.00 0.00 O ATOM 396 CB LEU A 28 1.462 2.347 -2.978 1.00 0.00 C ATOM 397 CG LEU A 28 1.441 0.818 -2.999 1.00 0.00 C ATOM 398 CD1 LEU A 28 2.562 0.282 -3.876 1.00 0.00 C ATOM 399 CD2 LEU A 28 1.554 0.264 -1.587 1.00 0.00 C ATOM 0 H LEU A 28 3.307 3.207 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 28 0.595 2.401 -4.944 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.429 2.672 -2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.707 2.691 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 28 0.490 0.492 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.532 -0.808 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.436 0.652 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.522 0.617 -3.484 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.537 -0.825 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.489 0.599 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.716 0.621 -0.988 1.00 0.00 H new ATOM 411 N THR A 29 1.163 5.309 -3.459 1.00 0.00 N ATOM 412 CA THR A 29 0.576 6.614 -3.185 1.00 0.00 C ATOM 413 C THR A 29 -0.158 7.155 -4.406 1.00 0.00 C ATOM 414 O THR A 29 -1.143 7.882 -4.279 1.00 0.00 O ATOM 415 CB THR A 29 1.648 7.632 -2.752 1.00 0.00 C ATOM 416 OG1 THR A 29 2.578 7.848 -3.820 1.00 0.00 O ATOM 417 CG2 THR A 29 2.391 7.144 -1.517 1.00 0.00 C ATOM 0 H THR A 29 2.120 5.198 -3.123 1.00 0.00 H new ATOM 0 HA THR A 29 -0.134 6.476 -2.370 1.00 0.00 H new ATOM 0 HB THR A 29 1.149 8.570 -2.509 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.512 7.113 -4.465 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.143 7.879 -1.230 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.685 7.008 -0.698 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.878 6.194 -1.737 1.00 0.00 H new ATOM 425 N ASP A 30 0.327 6.795 -5.590 1.00 0.00 N ATOM 426 CA ASP A 30 -0.285 7.243 -6.835 1.00 0.00 C ATOM 427 C ASP A 30 -1.537 6.429 -7.149 1.00 0.00 C ATOM 428 O ASP A 30 -2.486 6.937 -7.746 1.00 0.00 O ATOM 429 CB ASP A 30 0.713 7.131 -7.988 1.00 0.00 C ATOM 430 CG ASP A 30 0.231 7.832 -9.242 1.00 0.00 C ATOM 431 OD1 ASP A 30 0.108 9.075 -9.218 1.00 0.00 O ATOM 432 OD2 ASP A 30 -0.024 7.139 -10.249 1.00 0.00 O ATOM 0 H ASP A 30 1.142 6.194 -5.713 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.573 8.287 -6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.668 7.558 -7.681 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.891 6.079 -8.209 1.00 0.00 H new ATOM 437 N MET A 31 -1.531 5.164 -6.744 1.00 0.00 N ATOM 438 CA MET A 31 -2.666 4.280 -6.982 1.00 0.00 C ATOM 439 C MET A 31 -3.886 4.736 -6.189 1.00 0.00 C ATOM 440 O MET A 31 -4.870 5.204 -6.760 1.00 0.00 O ATOM 441 CB MET A 31 -2.307 2.841 -6.606 1.00 0.00 C ATOM 442 CG MET A 31 -1.254 2.221 -7.510 1.00 0.00 C ATOM 443 SD MET A 31 -0.499 0.750 -6.790 1.00 0.00 S ATOM 444 CE MET A 31 -1.909 -0.352 -6.715 1.00 0.00 C ATOM 0 H MET A 31 -0.753 4.728 -6.249 1.00 0.00 H new ATOM 0 HA MET A 31 -2.909 4.320 -8.044 1.00 0.00 H new ATOM 0 HB2 MET A 31 -1.948 2.822 -5.577 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.209 2.230 -6.640 1.00 0.00 H new ATOM 0 HG2 MET A 31 -1.709 1.960 -8.466 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.478 2.958 -7.717 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.775 -1.059 -5.896 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.816 0.229 -6.548 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.995 -0.897 -7.655 1.00 0.00 H new ATOM 454 N GLY A 32 -3.814 4.596 -4.868 1.00 0.00 N ATOM 455 CA GLY A 32 -4.920 4.998 -4.018 1.00 0.00 C ATOM 456 C GLY A 32 -4.774 4.490 -2.598 1.00 0.00 C ATOM 457 O GLY A 32 -5.753 4.085 -1.972 1.00 0.00 O ATOM 0 H GLY A 32 -3.010 4.212 -4.372 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.988 6.086 -4.006 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.853 4.625 -4.440 1.00 0.00 H new ATOM 461 N PHE A 33 -3.547 4.511 -2.087 1.00 0.00 N ATOM 462 CA PHE A 33 -3.275 4.046 -0.732 1.00 0.00 C ATOM 463 C PHE A 33 -2.275 4.963 -0.033 1.00 0.00 C ATOM 464 O PHE A 33 -1.349 5.495 -0.646 1.00 0.00 O ATOM 465 CB PHE A 33 -2.739 2.614 -0.759 1.00 0.00 C ATOM 466 CG PHE A 33 -3.495 1.708 -1.688 1.00 0.00 C ATOM 467 CD1 PHE A 33 -4.861 1.528 -1.542 1.00 0.00 C ATOM 468 CD2 PHE A 33 -2.840 1.037 -2.708 1.00 0.00 C ATOM 469 CE1 PHE A 33 -5.559 0.694 -2.395 1.00 0.00 C ATOM 470 CE2 PHE A 33 -3.533 0.202 -3.565 1.00 0.00 C ATOM 471 CZ PHE A 33 -4.895 0.032 -3.409 1.00 0.00 C ATOM 0 H PHE A 33 -2.726 4.845 -2.591 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.211 4.065 -0.173 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.690 2.633 -1.056 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.777 2.201 0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.386 2.045 -0.753 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.776 1.168 -2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.623 0.560 -2.269 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.010 -0.316 -4.355 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.439 -0.617 -4.079 1.00 0.00 H new ATOM 481 N PRO A 34 -2.465 5.152 1.281 1.00 0.00 N ATOM 482 CA PRO A 34 -1.590 6.004 2.092 1.00 0.00 C ATOM 483 C PRO A 34 -0.203 5.398 2.280 1.00 0.00 C ATOM 484 O PRO A 34 -0.003 4.203 2.063 1.00 0.00 O ATOM 485 CB PRO A 34 -2.322 6.088 3.434 1.00 0.00 C ATOM 486 CG PRO A 34 -3.147 4.849 3.494 1.00 0.00 C ATOM 487 CD PRO A 34 -3.547 4.549 2.076 1.00 0.00 C ATOM 0 HA PRO A 34 -1.416 6.973 1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.619 6.136 4.266 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.944 6.981 3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.580 4.023 3.923 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.024 4.994 4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.626 3.476 1.899 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.516 4.984 1.831 1.00 0.00 H new ATOM 495 N ARG A 35 0.751 6.230 2.685 1.00 0.00 N ATOM 496 CA ARG A 35 2.120 5.776 2.901 1.00 0.00 C ATOM 497 C ARG A 35 2.218 4.930 4.166 1.00 0.00 C ATOM 498 O ARG A 35 3.048 4.025 4.256 1.00 0.00 O ATOM 499 CB ARG A 35 3.067 6.974 3.001 1.00 0.00 C ATOM 500 CG ARG A 35 2.699 7.951 4.105 1.00 0.00 C ATOM 501 CD ARG A 35 3.427 9.276 3.942 1.00 0.00 C ATOM 502 NE ARG A 35 3.592 9.971 5.216 1.00 0.00 N ATOM 503 CZ ARG A 35 4.380 11.027 5.381 1.00 0.00 C ATOM 504 NH1 ARG A 35 5.073 11.507 4.358 1.00 0.00 N ATOM 505 NH2 ARG A 35 4.477 11.605 6.572 1.00 0.00 N ATOM 0 H ARG A 35 0.601 7.222 2.870 1.00 0.00 H new ATOM 0 HA ARG A 35 2.411 5.161 2.050 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.081 6.612 3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.073 7.502 2.047 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.623 8.123 4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.945 7.516 5.074 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.406 9.099 3.496 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.872 9.912 3.252 1.00 0.00 H new ATOM 0 HE ARG A 35 3.073 9.626 6.024 1.00 0.00 H new ATOM 0 HH11 ARG A 35 5.002 11.065 3.441 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.678 12.318 4.487 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.946 11.238 7.362 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.083 12.416 6.697 1.00 0.00 H new ATOM 519 N GLU A 36 1.366 5.230 5.142 1.00 0.00 N ATOM 520 CA GLU A 36 1.359 4.497 6.402 1.00 0.00 C ATOM 521 C GLU A 36 1.533 3.000 6.162 1.00 0.00 C ATOM 522 O GLU A 36 2.530 2.395 6.554 1.00 0.00 O ATOM 523 CB GLU A 36 0.055 4.755 7.160 1.00 0.00 C ATOM 524 CG GLU A 36 0.165 5.856 8.202 1.00 0.00 C ATOM 525 CD GLU A 36 1.213 5.559 9.257 1.00 0.00 C ATOM 526 OE1 GLU A 36 1.066 4.546 9.972 1.00 0.00 O ATOM 527 OE2 GLU A 36 2.182 6.340 9.366 1.00 0.00 O ATOM 0 H GLU A 36 0.672 5.975 5.084 1.00 0.00 H new ATOM 0 HA GLU A 36 2.197 4.851 7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.725 5.019 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.260 3.833 7.649 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.409 6.796 7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.803 5.992 8.685 1.00 0.00 H new ATOM 534 N PRO A 37 0.538 2.388 5.502 1.00 0.00 N ATOM 535 CA PRO A 37 0.557 0.955 5.194 1.00 0.00 C ATOM 536 C PRO A 37 1.604 0.602 4.143 1.00 0.00 C ATOM 537 O PRO A 37 2.413 -0.305 4.340 1.00 0.00 O ATOM 538 CB PRO A 37 -0.852 0.689 4.656 1.00 0.00 C ATOM 539 CG PRO A 37 -1.308 2.004 4.123 1.00 0.00 C ATOM 540 CD PRO A 37 -0.681 3.048 5.005 1.00 0.00 C ATOM 0 HA PRO A 37 0.816 0.354 6.066 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.841 -0.072 3.876 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.515 0.329 5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.999 2.133 3.086 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.395 2.078 4.143 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.448 3.956 4.449 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.344 3.335 5.821 1.00 0.00 H new ATOM 548 N ALA A 38 1.582 1.323 3.027 1.00 0.00 N ATOM 549 CA ALA A 38 2.532 1.087 1.946 1.00 0.00 C ATOM 550 C ALA A 38 3.924 0.790 2.494 1.00 0.00 C ATOM 551 O ALA A 38 4.693 0.045 1.887 1.00 0.00 O ATOM 552 CB ALA A 38 2.575 2.285 1.010 1.00 0.00 C ATOM 0 H ALA A 38 0.917 2.075 2.847 1.00 0.00 H new ATOM 0 HA ALA A 38 2.197 0.214 1.385 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.288 2.095 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.585 2.450 0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.882 3.171 1.566 1.00 0.00 H new ATOM 558 N GLU A 39 4.241 1.378 3.643 1.00 0.00 N ATOM 559 CA GLU A 39 5.542 1.177 4.270 1.00 0.00 C ATOM 560 C GLU A 39 5.558 -0.110 5.089 1.00 0.00 C ATOM 561 O GLU A 39 6.348 -1.015 4.826 1.00 0.00 O ATOM 562 CB GLU A 39 5.892 2.368 5.164 1.00 0.00 C ATOM 563 CG GLU A 39 7.230 2.228 5.869 1.00 0.00 C ATOM 564 CD GLU A 39 7.820 3.566 6.273 1.00 0.00 C ATOM 565 OE1 GLU A 39 8.436 4.227 5.411 1.00 0.00 O ATOM 566 OE2 GLU A 39 7.665 3.951 7.451 1.00 0.00 O ATOM 0 H GLU A 39 3.615 1.997 4.158 1.00 0.00 H new ATOM 0 HA GLU A 39 6.288 1.094 3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.903 3.275 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.109 2.493 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.106 1.607 6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.930 1.710 5.213 1.00 0.00 H new ATOM 573 N GLU A 40 4.679 -0.182 6.084 1.00 0.00 N ATOM 574 CA GLU A 40 4.593 -1.357 6.943 1.00 0.00 C ATOM 575 C GLU A 40 4.503 -2.634 6.111 1.00 0.00 C ATOM 576 O GLU A 40 5.251 -3.586 6.334 1.00 0.00 O ATOM 577 CB GLU A 40 3.379 -1.253 7.869 1.00 0.00 C ATOM 578 CG GLU A 40 3.460 -0.095 8.849 1.00 0.00 C ATOM 579 CD GLU A 40 4.793 -0.030 9.568 1.00 0.00 C ATOM 580 OE1 GLU A 40 5.330 -1.103 9.917 1.00 0.00 O ATOM 581 OE2 GLU A 40 5.300 1.091 9.781 1.00 0.00 O ATOM 0 H GLU A 40 4.017 0.559 6.315 1.00 0.00 H new ATOM 0 HA GLU A 40 5.499 -1.400 7.547 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.479 -1.144 7.264 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.277 -2.184 8.427 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.294 0.840 8.315 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.660 -0.189 9.583 1.00 0.00 H new ATOM 588 N ALA A 41 3.583 -2.645 5.153 1.00 0.00 N ATOM 589 CA ALA A 41 3.396 -3.802 4.287 1.00 0.00 C ATOM 590 C ALA A 41 4.710 -4.219 3.636 1.00 0.00 C ATOM 591 O ALA A 41 5.246 -5.290 3.925 1.00 0.00 O ATOM 592 CB ALA A 41 2.350 -3.502 3.223 1.00 0.00 C ATOM 0 H ALA A 41 2.955 -1.865 4.957 1.00 0.00 H new ATOM 0 HA ALA A 41 3.046 -4.631 4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.221 -4.375 2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.402 -3.260 3.703 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.677 -2.655 2.619 1.00 0.00 H new ATOM 598 N LEU A 42 5.225 -3.368 2.755 1.00 0.00 N ATOM 599 CA LEU A 42 6.478 -3.649 2.063 1.00 0.00 C ATOM 600 C LEU A 42 7.496 -4.277 3.010 1.00 0.00 C ATOM 601 O LEU A 42 8.059 -5.333 2.722 1.00 0.00 O ATOM 602 CB LEU A 42 7.050 -2.364 1.461 1.00 0.00 C ATOM 603 CG LEU A 42 6.442 -1.918 0.131 1.00 0.00 C ATOM 604 CD1 LEU A 42 6.660 -0.428 -0.082 1.00 0.00 C ATOM 605 CD2 LEU A 42 7.036 -2.715 -1.021 1.00 0.00 C ATOM 0 H LEU A 42 4.794 -2.478 2.503 1.00 0.00 H new ATOM 0 HA LEU A 42 6.270 -4.358 1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.922 -1.559 2.185 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.123 -2.498 1.321 1.00 0.00 H new ATOM 0 HG LEU A 42 5.369 -2.107 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.221 -0.128 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.187 0.128 0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.729 -0.215 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.592 -2.384 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.114 -2.558 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.828 -3.775 -0.875 1.00 0.00 H new ATOM 617 N LYS A 43 7.725 -3.621 4.142 1.00 0.00 N ATOM 618 CA LYS A 43 8.672 -4.115 5.135 1.00 0.00 C ATOM 619 C LYS A 43 8.439 -5.596 5.419 1.00 0.00 C ATOM 620 O LYS A 43 9.387 -6.373 5.529 1.00 0.00 O ATOM 621 CB LYS A 43 8.549 -3.311 6.431 1.00 0.00 C ATOM 622 CG LYS A 43 9.144 -1.917 6.341 1.00 0.00 C ATOM 623 CD LYS A 43 10.653 -1.941 6.514 1.00 0.00 C ATOM 624 CE LYS A 43 11.181 -0.600 7.000 1.00 0.00 C ATOM 625 NZ LYS A 43 10.838 -0.354 8.427 1.00 0.00 N ATOM 0 H LYS A 43 7.268 -2.745 4.395 1.00 0.00 H new ATOM 0 HA LYS A 43 9.678 -3.994 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.496 -3.231 6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.043 -3.856 7.235 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.895 -1.476 5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.699 -1.281 7.106 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.926 -2.720 7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.125 -2.196 5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.264 -0.569 6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.767 0.198 6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.428 0.418 8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.835 -0.090 8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.011 -1.218 8.979 1.00 0.00 H new ATOM 639 N SER A 44 7.171 -5.979 5.535 1.00 0.00 N ATOM 640 CA SER A 44 6.814 -7.367 5.808 1.00 0.00 C ATOM 641 C SER A 44 6.719 -8.168 4.513 1.00 0.00 C ATOM 642 O SER A 44 6.789 -9.396 4.524 1.00 0.00 O ATOM 643 CB SER A 44 5.485 -7.434 6.562 1.00 0.00 C ATOM 644 OG SER A 44 5.684 -7.301 7.959 1.00 0.00 O ATOM 0 H SER A 44 6.374 -5.348 5.444 1.00 0.00 H new ATOM 0 HA SER A 44 7.597 -7.804 6.428 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.823 -6.644 6.209 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.991 -8.382 6.351 1.00 0.00 H new ATOM 0 HG SER A 44 4.819 -7.345 8.418 1.00 0.00 H new ATOM 650 N ASN A 45 6.557 -7.462 3.398 1.00 0.00 N ATOM 651 CA ASN A 45 6.451 -8.107 2.094 1.00 0.00 C ATOM 652 C ASN A 45 7.817 -8.204 1.422 1.00 0.00 C ATOM 653 O ASN A 45 7.919 -8.200 0.196 1.00 0.00 O ATOM 654 CB ASN A 45 5.483 -7.333 1.197 1.00 0.00 C ATOM 655 CG ASN A 45 4.032 -7.657 1.496 1.00 0.00 C ATOM 656 OD1 ASN A 45 3.521 -8.700 1.089 1.00 0.00 O ATOM 657 ND2 ASN A 45 3.361 -6.762 2.212 1.00 0.00 N ATOM 0 H ASN A 45 6.496 -6.444 3.372 1.00 0.00 H new ATOM 0 HA ASN A 45 6.068 -9.116 2.246 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.648 -6.263 1.327 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.696 -7.564 0.153 1.00 0.00 H new ATOM 0 HD21 ASN A 45 2.382 -6.926 2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.825 -5.911 2.529 1.00 0.00 H new ATOM 664 N ASN A 46 8.865 -8.290 2.235 1.00 0.00 N ATOM 665 CA ASN A 46 10.226 -8.389 1.720 1.00 0.00 C ATOM 666 C ASN A 46 10.443 -7.412 0.568 1.00 0.00 C ATOM 667 O ASN A 46 11.081 -7.746 -0.431 1.00 0.00 O ATOM 668 CB ASN A 46 10.515 -9.817 1.254 1.00 0.00 C ATOM 669 CG ASN A 46 10.348 -10.833 2.367 1.00 0.00 C ATOM 670 OD1 ASN A 46 10.963 -10.717 3.427 1.00 0.00 O ATOM 671 ND2 ASN A 46 9.511 -11.837 2.130 1.00 0.00 N ATOM 0 H ASN A 46 8.798 -8.293 3.253 1.00 0.00 H new ATOM 0 HA ASN A 46 10.913 -8.132 2.526 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.846 -10.070 0.431 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.532 -9.871 0.866 1.00 0.00 H new ATOM 0 HD21 ASN A 46 9.357 -12.551 2.842 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.022 -11.893 1.237 1.00 0.00 H new ATOM 678 N MET A 47 9.909 -6.204 0.714 1.00 0.00 N ATOM 679 CA MET A 47 10.046 -5.179 -0.313 1.00 0.00 C ATOM 680 C MET A 47 9.400 -5.628 -1.620 1.00 0.00 C ATOM 681 O MET A 47 10.021 -5.575 -2.680 1.00 0.00 O ATOM 682 CB MET A 47 11.523 -4.854 -0.546 1.00 0.00 C ATOM 683 CG MET A 47 12.335 -4.764 0.736 1.00 0.00 C ATOM 684 SD MET A 47 12.364 -3.097 1.423 1.00 0.00 S ATOM 685 CE MET A 47 10.894 -3.127 2.446 1.00 0.00 C ATOM 0 H MET A 47 9.377 -5.911 1.534 1.00 0.00 H new ATOM 0 HA MET A 47 9.534 -4.282 0.035 1.00 0.00 H new ATOM 0 HB2 MET A 47 11.958 -5.619 -1.189 1.00 0.00 H new ATOM 0 HB3 MET A 47 11.598 -3.907 -1.081 1.00 0.00 H new ATOM 0 HG2 MET A 47 11.919 -5.450 1.474 1.00 0.00 H new ATOM 0 HG3 MET A 47 13.356 -5.089 0.538 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.069 -2.546 3.351 1.00 0.00 H new ATOM 0 HE2 MET A 47 10.058 -2.697 1.894 1.00 0.00 H new ATOM 0 HE3 MET A 47 10.659 -4.157 2.716 1.00 0.00 H new ATOM 695 N ASN A 48 8.150 -6.072 -1.535 1.00 0.00 N ATOM 696 CA ASN A 48 7.420 -6.531 -2.711 1.00 0.00 C ATOM 697 C ASN A 48 6.193 -5.661 -2.964 1.00 0.00 C ATOM 698 O ASN A 48 5.407 -5.397 -2.053 1.00 0.00 O ATOM 699 CB ASN A 48 6.997 -7.991 -2.536 1.00 0.00 C ATOM 700 CG ASN A 48 8.161 -8.952 -2.684 1.00 0.00 C ATOM 701 OD1 ASN A 48 8.969 -9.111 -1.769 1.00 0.00 O ATOM 702 ND2 ASN A 48 8.251 -9.599 -3.840 1.00 0.00 N ATOM 0 H ASN A 48 7.622 -6.124 -0.664 1.00 0.00 H new ATOM 0 HA ASN A 48 8.083 -6.452 -3.573 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.546 -8.120 -1.552 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.232 -8.235 -3.273 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.013 -10.259 -3.997 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.558 -9.436 -4.571 1.00 0.00 H new ATOM 709 N LEU A 49 6.034 -5.220 -4.207 1.00 0.00 N ATOM 710 CA LEU A 49 4.902 -4.380 -4.582 1.00 0.00 C ATOM 711 C LEU A 49 3.647 -5.221 -4.795 1.00 0.00 C ATOM 712 O LEU A 49 2.618 -4.990 -4.160 1.00 0.00 O ATOM 713 CB LEU A 49 5.224 -3.592 -5.853 1.00 0.00 C ATOM 714 CG LEU A 49 4.507 -2.251 -6.011 1.00 0.00 C ATOM 715 CD1 LEU A 49 4.962 -1.272 -4.941 1.00 0.00 C ATOM 716 CD2 LEU A 49 4.750 -1.678 -7.400 1.00 0.00 C ATOM 0 H LEU A 49 6.675 -5.430 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 49 4.715 -3.681 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.299 -3.412 -5.883 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.981 -4.215 -6.714 1.00 0.00 H new ATOM 0 HG LEU A 49 3.436 -2.416 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.441 -0.324 -5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.736 -1.679 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.036 -1.110 -5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.233 -0.723 -7.495 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.819 -1.528 -7.550 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.373 -2.372 -8.151 1.00 0.00 H new ATOM 728 N ASP A 50 3.741 -6.196 -5.692 1.00 0.00 N ATOM 729 CA ASP A 50 2.614 -7.074 -5.987 1.00 0.00 C ATOM 730 C ASP A 50 2.102 -7.747 -4.717 1.00 0.00 C ATOM 731 O ASP A 50 0.895 -7.869 -4.512 1.00 0.00 O ATOM 732 CB ASP A 50 3.021 -8.135 -7.011 1.00 0.00 C ATOM 733 CG ASP A 50 3.584 -7.527 -8.281 1.00 0.00 C ATOM 734 OD1 ASP A 50 4.486 -6.669 -8.180 1.00 0.00 O ATOM 735 OD2 ASP A 50 3.122 -7.909 -9.376 1.00 0.00 O ATOM 0 H ASP A 50 4.585 -6.399 -6.227 1.00 0.00 H new ATOM 0 HA ASP A 50 1.811 -6.466 -6.404 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.765 -8.797 -6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.155 -8.749 -7.258 1.00 0.00 H new ATOM 740 N GLN A 51 3.028 -8.182 -3.869 1.00 0.00 N ATOM 741 CA GLN A 51 2.670 -8.843 -2.620 1.00 0.00 C ATOM 742 C GLN A 51 1.996 -7.867 -1.661 1.00 0.00 C ATOM 743 O GLN A 51 0.918 -8.143 -1.135 1.00 0.00 O ATOM 744 CB GLN A 51 3.912 -9.447 -1.963 1.00 0.00 C ATOM 745 CG GLN A 51 4.332 -10.778 -2.564 1.00 0.00 C ATOM 746 CD GLN A 51 3.342 -11.889 -2.274 1.00 0.00 C ATOM 747 OE1 GLN A 51 2.327 -11.673 -1.611 1.00 0.00 O ATOM 748 NE2 GLN A 51 3.632 -13.086 -2.771 1.00 0.00 N ATOM 0 H GLN A 51 4.032 -8.089 -4.024 1.00 0.00 H new ATOM 0 HA GLN A 51 1.965 -9.642 -2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.738 -8.742 -2.050 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.720 -9.583 -0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.441 -10.667 -3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.310 -11.057 -2.172 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.484 -13.219 -3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.002 -13.872 -2.609 1.00 0.00 H new ATOM 757 N ALA A 52 2.639 -6.726 -1.437 1.00 0.00 N ATOM 758 CA ALA A 52 2.101 -5.709 -0.543 1.00 0.00 C ATOM 759 C ALA A 52 0.726 -5.242 -1.006 1.00 0.00 C ATOM 760 O ALA A 52 -0.247 -5.305 -0.255 1.00 0.00 O ATOM 761 CB ALA A 52 3.057 -4.529 -0.450 1.00 0.00 C ATOM 0 H ALA A 52 3.534 -6.483 -1.863 1.00 0.00 H new ATOM 0 HA ALA A 52 1.991 -6.153 0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.642 -3.777 0.221 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.018 -4.869 -0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.196 -4.095 -1.440 1.00 0.00 H new ATOM 767 N MET A 53 0.652 -4.774 -2.248 1.00 0.00 N ATOM 768 CA MET A 53 -0.606 -4.297 -2.811 1.00 0.00 C ATOM 769 C MET A 53 -1.758 -5.221 -2.429 1.00 0.00 C ATOM 770 O MET A 53 -2.722 -4.797 -1.792 1.00 0.00 O ATOM 771 CB MET A 53 -0.502 -4.195 -4.334 1.00 0.00 C ATOM 772 CG MET A 53 0.181 -2.924 -4.812 1.00 0.00 C ATOM 773 SD MET A 53 0.666 -3.007 -6.547 1.00 0.00 S ATOM 774 CE MET A 53 -0.883 -3.486 -7.309 1.00 0.00 C ATOM 0 H MET A 53 1.448 -4.715 -2.883 1.00 0.00 H new ATOM 0 HA MET A 53 -0.806 -3.307 -2.401 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.048 -5.057 -4.711 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.503 -4.243 -4.763 1.00 0.00 H new ATOM 0 HG2 MET A 53 -0.491 -2.078 -4.667 1.00 0.00 H new ATOM 0 HG3 MET A 53 1.064 -2.738 -4.200 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.978 -2.998 -8.279 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.903 -4.567 -7.444 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.712 -3.185 -6.669 1.00 0.00 H new ATOM 784 N SER A 54 -1.651 -6.486 -2.823 1.00 0.00 N ATOM 785 CA SER A 54 -2.686 -7.470 -2.525 1.00 0.00 C ATOM 786 C SER A 54 -2.992 -7.500 -1.031 1.00 0.00 C ATOM 787 O SER A 54 -4.148 -7.615 -0.626 1.00 0.00 O ATOM 788 CB SER A 54 -2.250 -8.858 -2.997 1.00 0.00 C ATOM 789 OG SER A 54 -3.242 -9.829 -2.709 1.00 0.00 O ATOM 0 H SER A 54 -0.858 -6.854 -3.349 1.00 0.00 H new ATOM 0 HA SER A 54 -3.592 -7.182 -3.058 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.058 -8.837 -4.070 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.314 -9.134 -2.511 1.00 0.00 H new ATOM 0 HG SER A 54 -2.940 -10.707 -3.022 1.00 0.00 H new ATOM 795 N ALA A 55 -1.947 -7.397 -0.217 1.00 0.00 N ATOM 796 CA ALA A 55 -2.103 -7.411 1.232 1.00 0.00 C ATOM 797 C ALA A 55 -2.921 -6.216 1.708 1.00 0.00 C ATOM 798 O ALA A 55 -3.582 -6.276 2.746 1.00 0.00 O ATOM 799 CB ALA A 55 -0.741 -7.424 1.910 1.00 0.00 C ATOM 0 H ALA A 55 -0.983 -7.303 -0.537 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.641 -8.319 1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.873 -7.434 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.190 -8.313 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.182 -6.534 1.621 1.00 0.00 H new ATOM 805 N LEU A 56 -2.873 -5.130 0.944 1.00 0.00 N ATOM 806 CA LEU A 56 -3.609 -3.919 1.288 1.00 0.00 C ATOM 807 C LEU A 56 -5.018 -3.954 0.703 1.00 0.00 C ATOM 808 O LEU A 56 -5.973 -3.494 1.330 1.00 0.00 O ATOM 809 CB LEU A 56 -2.865 -2.683 0.779 1.00 0.00 C ATOM 810 CG LEU A 56 -1.368 -2.628 1.087 1.00 0.00 C ATOM 811 CD1 LEU A 56 -0.633 -1.830 0.021 1.00 0.00 C ATOM 812 CD2 LEU A 56 -1.129 -2.028 2.465 1.00 0.00 C ATOM 0 H LEU A 56 -2.332 -5.064 0.082 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.686 -3.867 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.996 -2.624 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.336 -1.798 1.206 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.978 -3.646 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.431 -1.802 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.777 -2.302 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.026 -0.814 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.058 -1.997 2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.534 -1.017 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.623 -2.641 3.219 1.00 0.00 H new ATOM 824 N LEU A 57 -5.140 -4.505 -0.499 1.00 0.00 N ATOM 825 CA LEU A 57 -6.433 -4.603 -1.168 1.00 0.00 C ATOM 826 C LEU A 57 -7.297 -5.684 -0.527 1.00 0.00 C ATOM 827 O LEU A 57 -8.425 -5.423 -0.109 1.00 0.00 O ATOM 828 CB LEU A 57 -6.239 -4.904 -2.655 1.00 0.00 C ATOM 829 CG LEU A 57 -5.983 -3.696 -3.557 1.00 0.00 C ATOM 830 CD1 LEU A 57 -5.174 -4.105 -4.779 1.00 0.00 C ATOM 831 CD2 LEU A 57 -7.298 -3.055 -3.975 1.00 0.00 C ATOM 0 H LEU A 57 -4.360 -4.891 -1.031 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.943 -3.646 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.402 -5.594 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.126 -5.422 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.407 -2.961 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.001 -3.233 -5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.217 -4.518 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.724 -4.858 -5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.097 -2.197 -4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.900 -3.782 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.840 -2.726 -3.089 1.00 0.00 H new ATOM 843 N GLU A 58 -6.759 -6.897 -0.452 1.00 0.00 N ATOM 844 CA GLU A 58 -7.482 -8.017 0.140 1.00 0.00 C ATOM 845 C GLU A 58 -8.345 -7.551 1.309 1.00 0.00 C ATOM 846 O GLU A 58 -9.461 -8.033 1.503 1.00 0.00 O ATOM 847 CB GLU A 58 -6.501 -9.092 0.613 1.00 0.00 C ATOM 848 CG GLU A 58 -5.667 -8.671 1.811 1.00 0.00 C ATOM 849 CD GLU A 58 -6.380 -8.903 3.129 1.00 0.00 C ATOM 850 OE1 GLU A 58 -7.334 -9.707 3.154 1.00 0.00 O ATOM 851 OE2 GLU A 58 -5.983 -8.279 4.135 1.00 0.00 O ATOM 0 H GLU A 58 -5.826 -7.129 -0.793 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.134 -8.440 -0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.058 -9.993 0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.835 -9.351 -0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.728 -9.225 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.414 -7.615 1.720 1.00 0.00 H new ATOM 858 N LYS A 59 -7.820 -6.609 2.086 1.00 0.00 N ATOM 859 CA LYS A 59 -8.540 -6.075 3.235 1.00 0.00 C ATOM 860 C LYS A 59 -9.931 -5.596 2.832 1.00 0.00 C ATOM 861 O LYS A 59 -10.939 -6.074 3.352 1.00 0.00 O ATOM 862 CB LYS A 59 -7.755 -4.923 3.866 1.00 0.00 C ATOM 863 CG LYS A 59 -6.714 -5.376 4.875 1.00 0.00 C ATOM 864 CD LYS A 59 -6.118 -4.199 5.628 1.00 0.00 C ATOM 865 CE LYS A 59 -4.723 -4.516 6.145 1.00 0.00 C ATOM 866 NZ LYS A 59 -4.744 -5.597 7.169 1.00 0.00 N ATOM 0 H LYS A 59 -6.897 -6.200 1.940 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.649 -6.876 3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.261 -4.356 3.077 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -8.453 -4.245 4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.169 -6.069 5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.921 -5.920 4.362 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.075 -3.330 4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.766 -3.935 6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.087 -4.816 5.313 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.282 -3.617 6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.782 -5.749 7.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.371 -5.322 7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.094 -6.477 6.738 1.00 0.00 H new ATOM 880 N LYS A 60 -9.978 -4.650 1.900 1.00 0.00 N ATOM 881 CA LYS A 60 -11.245 -4.107 1.424 1.00 0.00 C ATOM 882 C LYS A 60 -11.381 -4.287 -0.085 1.00 0.00 C ATOM 883 O LYS A 60 -10.450 -4.005 -0.840 1.00 0.00 O ATOM 884 CB LYS A 60 -11.355 -2.623 1.783 1.00 0.00 C ATOM 885 CG LYS A 60 -12.571 -1.940 1.181 1.00 0.00 C ATOM 886 CD LYS A 60 -13.861 -2.453 1.800 1.00 0.00 C ATOM 887 CE LYS A 60 -15.062 -1.643 1.335 1.00 0.00 C ATOM 888 NZ LYS A 60 -15.196 -0.367 2.091 1.00 0.00 N ATOM 0 H LYS A 60 -9.153 -4.243 1.459 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.052 -4.653 1.912 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -11.392 -2.522 2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.455 -2.108 1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.497 -0.863 1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -12.590 -2.110 0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -14.002 -3.501 1.534 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.788 -2.407 2.887 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.964 -1.426 0.271 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.969 -2.235 1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.026 0.156 1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -15.315 -0.574 3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.341 0.209 1.953 1.00 0.00 H new ATOM 902 N VAL A 61 -12.547 -4.756 -0.518 1.00 0.00 N ATOM 903 CA VAL A 61 -12.805 -4.971 -1.936 1.00 0.00 C ATOM 904 C VAL A 61 -13.246 -3.680 -2.616 1.00 0.00 C ATOM 905 O VAL A 61 -14.381 -3.234 -2.448 1.00 0.00 O ATOM 906 CB VAL A 61 -13.885 -6.048 -2.153 1.00 0.00 C ATOM 907 CG1 VAL A 61 -14.176 -6.222 -3.636 1.00 0.00 C ATOM 908 CG2 VAL A 61 -13.457 -7.366 -1.527 1.00 0.00 C ATOM 0 H VAL A 61 -13.328 -4.994 0.094 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.869 -5.311 -2.380 1.00 0.00 H new ATOM 0 HB VAL A 61 -14.802 -5.721 -1.663 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.941 -6.987 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.530 -5.278 -4.050 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -13.265 -6.526 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -14.232 -8.115 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -12.526 -7.701 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -13.305 -7.228 -0.456 1.00 0.00 H new ATOM 918 N ASP A 62 -12.341 -3.084 -3.385 1.00 0.00 N ATOM 919 CA ASP A 62 -12.637 -1.844 -4.093 1.00 0.00 C ATOM 920 C ASP A 62 -12.668 -2.073 -5.601 1.00 0.00 C ATOM 921 O ASP A 62 -12.436 -3.185 -6.076 1.00 0.00 O ATOM 922 CB ASP A 62 -11.599 -0.775 -3.748 1.00 0.00 C ATOM 923 CG ASP A 62 -10.194 -1.337 -3.666 1.00 0.00 C ATOM 924 OD1 ASP A 62 -9.550 -1.482 -4.726 1.00 0.00 O ATOM 925 OD2 ASP A 62 -9.738 -1.634 -2.542 1.00 0.00 O ATOM 0 H ASP A 62 -11.397 -3.440 -3.534 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.621 -1.499 -3.776 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.629 0.012 -4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.859 -0.314 -2.795 1.00 0.00 H new ATOM 930 N VAL A 63 -12.957 -1.013 -6.350 1.00 0.00 N ATOM 931 CA VAL A 63 -13.018 -1.098 -7.804 1.00 0.00 C ATOM 932 C VAL A 63 -11.771 -0.496 -8.442 1.00 0.00 C ATOM 933 O VAL A 63 -11.578 0.720 -8.424 1.00 0.00 O ATOM 934 CB VAL A 63 -14.263 -0.379 -8.356 1.00 0.00 C ATOM 935 CG1 VAL A 63 -14.257 1.087 -7.951 1.00 0.00 C ATOM 936 CG2 VAL A 63 -14.333 -0.522 -9.869 1.00 0.00 C ATOM 0 H VAL A 63 -13.153 -0.085 -5.973 1.00 0.00 H new ATOM 0 HA VAL A 63 -13.077 -2.156 -8.058 1.00 0.00 H new ATOM 0 HB VAL A 63 -15.150 -0.846 -7.928 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.144 1.578 -8.350 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -14.258 1.164 -6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -13.365 1.571 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.219 -0.008 -10.242 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.442 -0.082 -10.318 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -14.388 -1.578 -10.132 1.00 0.00 H new ATOM 946 N ASP A 64 -10.929 -1.354 -9.007 1.00 0.00 N ATOM 947 CA ASP A 64 -9.701 -0.907 -9.654 1.00 0.00 C ATOM 948 C ASP A 64 -9.294 -1.865 -10.769 1.00 0.00 C ATOM 949 O ASP A 64 -9.952 -2.879 -11.002 1.00 0.00 O ATOM 950 CB ASP A 64 -8.573 -0.789 -8.628 1.00 0.00 C ATOM 951 CG ASP A 64 -8.504 0.588 -7.998 1.00 0.00 C ATOM 952 OD1 ASP A 64 -8.298 1.570 -8.741 1.00 0.00 O ATOM 953 OD2 ASP A 64 -8.656 0.684 -6.762 1.00 0.00 O ATOM 0 H ASP A 64 -11.074 -2.363 -9.030 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.887 0.073 -10.093 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.717 -1.536 -7.847 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.622 -1.012 -9.111 1.00 0.00 H new ATOM 958 N LYS A 65 -8.205 -1.536 -11.456 1.00 0.00 N ATOM 959 CA LYS A 65 -7.709 -2.367 -12.547 1.00 0.00 C ATOM 960 C LYS A 65 -6.215 -2.635 -12.391 1.00 0.00 C ATOM 961 O LYS A 65 -5.411 -1.705 -12.334 1.00 0.00 O ATOM 962 CB LYS A 65 -7.978 -1.691 -13.893 1.00 0.00 C ATOM 963 CG LYS A 65 -7.930 -2.646 -15.074 1.00 0.00 C ATOM 964 CD LYS A 65 -9.199 -3.477 -15.171 1.00 0.00 C ATOM 965 CE LYS A 65 -8.977 -4.739 -15.990 1.00 0.00 C ATOM 966 NZ LYS A 65 -7.994 -5.653 -15.346 1.00 0.00 N ATOM 0 H LYS A 65 -7.649 -0.700 -11.277 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.237 -3.320 -12.514 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.958 -1.215 -13.861 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.244 -0.900 -14.046 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.793 -2.080 -15.995 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.068 -3.306 -14.975 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.536 -3.746 -14.170 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.991 -2.882 -15.625 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.926 -5.259 -16.119 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.624 -4.469 -16.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.179 -6.631 -15.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.031 -5.380 -15.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.084 -5.587 -14.312 1.00 0.00 H new ATOM 980 N ARG A 66 -5.852 -3.911 -12.323 1.00 0.00 N ATOM 981 CA ARG A 66 -4.455 -4.301 -12.174 1.00 0.00 C ATOM 982 C ARG A 66 -3.650 -3.927 -13.415 1.00 0.00 C ATOM 983 O ARG A 66 -3.980 -4.335 -14.528 1.00 0.00 O ATOM 984 CB ARG A 66 -4.347 -5.805 -11.918 1.00 0.00 C ATOM 985 CG ARG A 66 -4.660 -6.203 -10.484 1.00 0.00 C ATOM 986 CD ARG A 66 -4.532 -7.705 -10.282 1.00 0.00 C ATOM 987 NE ARG A 66 -5.512 -8.448 -11.069 1.00 0.00 N ATOM 988 CZ ARG A 66 -5.919 -9.676 -10.766 1.00 0.00 C ATOM 989 NH1 ARG A 66 -5.432 -10.295 -9.700 1.00 0.00 N ATOM 990 NH2 ARG A 66 -6.814 -10.287 -11.531 1.00 0.00 N ATOM 0 H ARG A 66 -6.506 -4.693 -12.369 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.044 -3.763 -11.320 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.028 -6.329 -12.588 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.338 -6.136 -12.166 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.983 -5.685 -9.805 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.671 -5.885 -10.230 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.527 -8.024 -10.559 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.661 -7.941 -9.226 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.906 -8.000 -11.896 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.743 -9.829 -9.110 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.746 -11.238 -9.470 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.190 -9.814 -12.353 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.126 -11.230 -11.298 1.00 0.00 H new ATOM 1004 N GLY A 67 -2.593 -3.146 -13.216 1.00 0.00 N ATOM 1005 CA GLY A 67 -1.759 -2.729 -14.328 1.00 0.00 C ATOM 1006 C GLY A 67 -1.119 -1.374 -14.097 1.00 0.00 C ATOM 1007 O GLY A 67 -1.811 -0.388 -13.839 1.00 0.00 O ATOM 0 H GLY A 67 -2.299 -2.795 -12.305 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.979 -3.473 -14.492 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.361 -2.693 -15.236 1.00 0.00 H new ATOM 1011 N LEU A 68 0.205 -1.324 -14.188 1.00 0.00 N ATOM 1012 CA LEU A 68 0.939 -0.079 -13.985 1.00 0.00 C ATOM 1013 C LEU A 68 2.032 0.086 -15.036 1.00 0.00 C ATOM 1014 O LEU A 68 2.728 -0.870 -15.378 1.00 0.00 O ATOM 1015 CB LEU A 68 1.554 -0.049 -12.584 1.00 0.00 C ATOM 1016 CG LEU A 68 0.568 -0.100 -11.417 1.00 0.00 C ATOM 1017 CD1 LEU A 68 1.220 -0.723 -10.193 1.00 0.00 C ATOM 1018 CD2 LEU A 68 0.050 1.294 -11.096 1.00 0.00 C ATOM 0 H LEU A 68 0.793 -2.130 -14.401 1.00 0.00 H new ATOM 0 HA LEU A 68 0.237 0.749 -14.085 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.239 -0.892 -12.492 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.150 0.859 -12.490 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.278 -0.723 -11.708 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.503 -0.751 -9.373 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.541 -1.738 -10.429 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.085 -0.128 -9.899 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.651 1.239 -10.263 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.886 1.939 -10.825 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.457 1.704 -11.970 1.00 0.00 H new ATOM 1030 N GLY A 69 2.179 1.306 -15.544 1.00 0.00 N ATOM 1031 CA GLY A 69 3.191 1.574 -16.549 1.00 0.00 C ATOM 1032 C GLY A 69 3.796 2.957 -16.407 1.00 0.00 C ATOM 1033 O GLY A 69 3.198 3.950 -16.819 1.00 0.00 O ATOM 0 H GLY A 69 1.615 2.113 -15.277 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.980 0.826 -16.474 1.00 0.00 H new ATOM 0 HA3 GLY A 69 2.750 1.474 -17.541 1.00 0.00 H new ATOM 1037 N VAL A 70 4.988 3.022 -15.821 1.00 0.00 N ATOM 1038 CA VAL A 70 5.675 4.292 -15.625 1.00 0.00 C ATOM 1039 C VAL A 70 5.881 5.016 -16.951 1.00 0.00 C ATOM 1040 O VAL A 70 6.734 4.635 -17.753 1.00 0.00 O ATOM 1041 CB VAL A 70 7.042 4.092 -14.944 1.00 0.00 C ATOM 1042 CG1 VAL A 70 7.763 5.423 -14.792 1.00 0.00 C ATOM 1043 CG2 VAL A 70 6.870 3.412 -13.594 1.00 0.00 C ATOM 0 H VAL A 70 5.497 2.209 -15.474 1.00 0.00 H new ATOM 0 HA VAL A 70 5.041 4.898 -14.978 1.00 0.00 H new ATOM 0 HB VAL A 70 7.652 3.446 -15.575 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.727 5.262 -14.309 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.920 5.866 -15.775 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.160 6.096 -14.183 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.846 3.279 -13.127 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.242 4.030 -12.953 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.399 2.439 -13.734 1.00 0.00 H new ATOM 1053 N THR A 71 5.094 6.064 -17.176 1.00 0.00 N ATOM 1054 CA THR A 71 5.189 6.841 -18.405 1.00 0.00 C ATOM 1055 C THR A 71 5.661 8.262 -18.121 1.00 0.00 C ATOM 1056 O THR A 71 6.594 8.755 -18.756 1.00 0.00 O ATOM 1057 CB THR A 71 3.836 6.899 -19.139 1.00 0.00 C ATOM 1058 OG1 THR A 71 3.357 5.573 -19.389 1.00 0.00 O ATOM 1059 CG2 THR A 71 3.965 7.653 -20.453 1.00 0.00 C ATOM 0 H THR A 71 4.384 6.394 -16.522 1.00 0.00 H new ATOM 0 HA THR A 71 5.918 6.339 -19.041 1.00 0.00 H new ATOM 0 HB THR A 71 3.126 7.428 -18.504 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.227 5.106 -18.537 1.00 0.00 H new ATOM 0 HG21 THR A 71 2.997 7.681 -20.953 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.301 8.671 -20.257 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.689 7.148 -21.092 1.00 0.00 H new ATOM 1067 N ASP A 72 5.013 8.916 -17.163 1.00 0.00 N ATOM 1068 CA ASP A 72 5.369 10.281 -16.794 1.00 0.00 C ATOM 1069 C ASP A 72 6.344 10.290 -15.620 1.00 0.00 C ATOM 1070 O ASP A 72 5.933 10.297 -14.459 1.00 0.00 O ATOM 1071 CB ASP A 72 4.114 11.079 -16.437 1.00 0.00 C ATOM 1072 CG ASP A 72 3.209 11.301 -17.633 1.00 0.00 C ATOM 1073 OD1 ASP A 72 3.737 11.504 -18.746 1.00 0.00 O ATOM 1074 OD2 ASP A 72 1.973 11.272 -17.455 1.00 0.00 O ATOM 0 H ASP A 72 4.239 8.523 -16.628 1.00 0.00 H new ATOM 0 HA ASP A 72 5.856 10.748 -17.650 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.561 10.552 -15.659 1.00 0.00 H new ATOM 0 HB3 ASP A 72 4.406 12.044 -16.022 1.00 0.00 H new ATOM 1079 N HIS A 73 7.636 10.289 -15.931 1.00 0.00 N ATOM 1080 CA HIS A 73 8.670 10.297 -14.902 1.00 0.00 C ATOM 1081 C HIS A 73 8.462 11.456 -13.931 1.00 0.00 C ATOM 1082 O HIS A 73 8.600 12.621 -14.302 1.00 0.00 O ATOM 1083 CB HIS A 73 10.055 10.394 -15.541 1.00 0.00 C ATOM 1084 CG HIS A 73 10.207 9.553 -16.771 1.00 0.00 C ATOM 1085 ND1 HIS A 73 11.138 9.818 -17.754 1.00 0.00 N ATOM 1086 CD2 HIS A 73 9.542 8.446 -17.174 1.00 0.00 C ATOM 1087 CE1 HIS A 73 11.037 8.911 -18.709 1.00 0.00 C ATOM 1088 NE2 HIS A 73 10.076 8.066 -18.381 1.00 0.00 N ATOM 0 H HIS A 73 7.992 10.283 -16.887 1.00 0.00 H new ATOM 0 HA HIS A 73 8.600 9.363 -14.345 1.00 0.00 H new ATOM 0 HB2 HIS A 73 10.257 11.435 -15.795 1.00 0.00 H new ATOM 0 HB3 HIS A 73 10.805 10.093 -14.810 1.00 0.00 H new ATOM 0 HD2 HIS A 73 8.740 7.953 -16.645 1.00 0.00 H new ATOM 0 HE1 HIS A 73 11.638 8.868 -19.605 1.00 0.00 H new ATOM 0 HE2 HIS A 73 9.779 7.262 -18.934 1.00 0.00 H new ATOM 1097 N ASN A 74 8.128 11.127 -12.687 1.00 0.00 N ATOM 1098 CA ASN A 74 7.900 12.141 -11.664 1.00 0.00 C ATOM 1099 C ASN A 74 9.190 12.888 -11.340 1.00 0.00 C ATOM 1100 O ASN A 74 10.023 12.406 -10.573 1.00 0.00 O ATOM 1101 CB ASN A 74 7.337 11.498 -10.395 1.00 0.00 C ATOM 1102 CG ASN A 74 5.841 11.266 -10.479 1.00 0.00 C ATOM 1103 OD1 ASN A 74 5.311 10.936 -11.540 1.00 0.00 O ATOM 1104 ND2 ASN A 74 5.152 11.438 -9.357 1.00 0.00 N ATOM 0 H ASN A 74 8.009 10.167 -12.363 1.00 0.00 H new ATOM 0 HA ASN A 74 7.175 12.856 -12.053 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.840 10.547 -10.219 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.555 12.137 -9.540 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.142 11.296 -9.352 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.633 11.712 -8.500 1.00 0.00 H new ATOM 1111 N GLY A 75 9.349 14.068 -11.931 1.00 0.00 N ATOM 1112 CA GLY A 75 10.540 14.863 -11.692 1.00 0.00 C ATOM 1113 C GLY A 75 10.222 16.220 -11.098 1.00 0.00 C ATOM 1114 O GLY A 75 9.123 16.743 -11.280 1.00 0.00 O ATOM 0 H GLY A 75 8.675 14.488 -12.571 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.205 14.322 -11.019 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.077 14.998 -12.631 1.00 0.00 H new ATOM 1118 N MET A 76 11.186 16.792 -10.384 1.00 0.00 N ATOM 1119 CA MET A 76 11.002 18.098 -9.760 1.00 0.00 C ATOM 1120 C MET A 76 10.942 19.200 -10.814 1.00 0.00 C ATOM 1121 O MET A 76 9.979 19.965 -10.870 1.00 0.00 O ATOM 1122 CB MET A 76 12.138 18.380 -8.775 1.00 0.00 C ATOM 1123 CG MET A 76 11.726 19.269 -7.612 1.00 0.00 C ATOM 1124 SD MET A 76 11.754 21.022 -8.034 1.00 0.00 S ATOM 1125 CE MET A 76 11.556 21.763 -6.415 1.00 0.00 C ATOM 0 H MET A 76 12.102 16.373 -10.223 1.00 0.00 H new ATOM 0 HA MET A 76 10.056 18.085 -9.219 1.00 0.00 H new ATOM 0 HB2 MET A 76 12.512 17.434 -8.384 1.00 0.00 H new ATOM 0 HB3 MET A 76 12.962 18.853 -9.309 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.723 18.994 -7.287 1.00 0.00 H new ATOM 0 HG3 MET A 76 12.394 19.091 -6.769 1.00 0.00 H new ATOM 0 HE1 MET A 76 11.554 22.849 -6.510 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.613 21.435 -5.978 1.00 0.00 H new ATOM 0 HE3 MET A 76 12.381 21.457 -5.771 1.00 0.00 H new ATOM 1135 N ALA A 77 11.975 19.274 -11.646 1.00 0.00 N ATOM 1136 CA ALA A 77 12.038 20.281 -12.697 1.00 0.00 C ATOM 1137 C ALA A 77 12.858 19.786 -13.884 1.00 0.00 C ATOM 1138 O ALA A 77 13.534 18.761 -13.798 1.00 0.00 O ATOM 1139 CB ALA A 77 12.623 21.577 -12.154 1.00 0.00 C ATOM 0 H ALA A 77 12.780 18.648 -11.612 1.00 0.00 H new ATOM 0 HA ALA A 77 11.022 20.471 -13.044 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.664 22.320 -12.951 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.995 21.948 -11.344 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.629 21.393 -11.778 1.00 0.00 H new ATOM 1145 N ALA A 78 12.791 20.519 -14.990 1.00 0.00 N ATOM 1146 CA ALA A 78 13.528 20.154 -16.194 1.00 0.00 C ATOM 1147 C ALA A 78 13.707 21.356 -17.114 1.00 0.00 C ATOM 1148 O ALA A 78 12.871 22.261 -17.141 1.00 0.00 O ATOM 1149 CB ALA A 78 12.817 19.026 -16.927 1.00 0.00 C ATOM 0 H ALA A 78 12.234 21.369 -15.078 1.00 0.00 H new ATOM 0 HA ALA A 78 14.518 19.810 -15.894 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.379 18.764 -17.824 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.748 18.155 -16.275 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.815 19.350 -17.208 1.00 0.00 H new ATOM 1155 N LYS A 79 14.800 21.361 -17.869 1.00 0.00 N ATOM 1156 CA LYS A 79 15.089 22.453 -18.792 1.00 0.00 C ATOM 1157 C LYS A 79 16.077 22.010 -19.866 1.00 0.00 C ATOM 1158 O LYS A 79 16.813 21.039 -19.684 1.00 0.00 O ATOM 1159 CB LYS A 79 15.651 23.656 -18.032 1.00 0.00 C ATOM 1160 CG LYS A 79 15.555 24.961 -18.803 1.00 0.00 C ATOM 1161 CD LYS A 79 16.079 26.131 -17.986 1.00 0.00 C ATOM 1162 CE LYS A 79 17.599 26.189 -18.007 1.00 0.00 C ATOM 1163 NZ LYS A 79 18.116 26.684 -19.313 1.00 0.00 N ATOM 0 H LYS A 79 15.501 20.620 -17.860 1.00 0.00 H new ATOM 0 HA LYS A 79 14.157 22.741 -19.277 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.116 23.761 -17.088 1.00 0.00 H new ATOM 0 HB3 LYS A 79 16.696 23.465 -17.787 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.123 24.880 -19.730 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.517 25.145 -19.080 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.673 27.062 -18.380 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.731 26.042 -16.957 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.949 26.841 -17.207 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.003 25.196 -17.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.129 26.902 -19.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.981 25.952 -20.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.599 27.544 -19.588 1.00 0.00 H new ATOM 1177 N SER A 80 16.090 22.728 -20.984 1.00 0.00 N ATOM 1178 CA SER A 80 16.987 22.407 -22.088 1.00 0.00 C ATOM 1179 C SER A 80 17.002 23.530 -23.120 1.00 0.00 C ATOM 1180 O SER A 80 16.150 24.418 -23.101 1.00 0.00 O ATOM 1181 CB SER A 80 16.564 21.095 -22.752 1.00 0.00 C ATOM 1182 OG SER A 80 17.610 20.566 -23.548 1.00 0.00 O ATOM 0 H SER A 80 15.490 23.536 -21.149 1.00 0.00 H new ATOM 0 HA SER A 80 17.993 22.294 -21.685 1.00 0.00 H new ATOM 0 HB2 SER A 80 16.283 20.371 -21.987 1.00 0.00 H new ATOM 0 HB3 SER A 80 15.682 21.264 -23.370 1.00 0.00 H new ATOM 0 HG SER A 80 17.315 19.727 -23.960 1.00 0.00 H new ATOM 1188 N GLY A 81 17.978 23.485 -24.022 1.00 0.00 N ATOM 1189 CA GLY A 81 18.087 24.504 -25.050 1.00 0.00 C ATOM 1190 C GLY A 81 19.504 24.659 -25.564 1.00 0.00 C ATOM 1191 O GLY A 81 20.476 24.496 -24.826 1.00 0.00 O ATOM 0 H GLY A 81 18.695 22.761 -24.059 1.00 0.00 H new ATOM 0 HA2 GLY A 81 17.428 24.250 -25.880 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.742 25.458 -24.650 1.00 0.00 H new ATOM 1195 N PRO A 82 19.636 24.981 -26.860 1.00 0.00 N ATOM 1196 CA PRO A 82 20.941 25.164 -27.501 1.00 0.00 C ATOM 1197 C PRO A 82 21.654 26.421 -27.015 1.00 0.00 C ATOM 1198 O PRO A 82 21.021 27.351 -26.514 1.00 0.00 O ATOM 1199 CB PRO A 82 20.593 25.287 -28.986 1.00 0.00 C ATOM 1200 CG PRO A 82 19.189 25.786 -29.006 1.00 0.00 C ATOM 1201 CD PRO A 82 18.521 25.190 -27.798 1.00 0.00 C ATOM 0 HA PRO A 82 21.624 24.345 -27.276 1.00 0.00 H new ATOM 0 HB2 PRO A 82 21.266 25.978 -29.494 1.00 0.00 H new ATOM 0 HB3 PRO A 82 20.679 24.326 -29.494 1.00 0.00 H new ATOM 0 HG2 PRO A 82 19.161 26.875 -28.970 1.00 0.00 H new ATOM 0 HG3 PRO A 82 18.681 25.484 -29.922 1.00 0.00 H new ATOM 0 HD2 PRO A 82 17.768 25.860 -27.384 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.017 24.254 -28.038 1.00 0.00 H new ATOM 1209 N SER A 83 22.974 26.444 -27.167 1.00 0.00 N ATOM 1210 CA SER A 83 23.774 27.586 -26.741 1.00 0.00 C ATOM 1211 C SER A 83 25.232 27.413 -27.153 1.00 0.00 C ATOM 1212 O SER A 83 25.657 26.321 -27.530 1.00 0.00 O ATOM 1213 CB SER A 83 23.678 27.765 -25.225 1.00 0.00 C ATOM 1214 OG SER A 83 24.101 26.595 -24.546 1.00 0.00 O ATOM 0 H SER A 83 23.513 25.684 -27.582 1.00 0.00 H new ATOM 0 HA SER A 83 23.380 28.477 -27.231 1.00 0.00 H new ATOM 0 HB2 SER A 83 24.292 28.611 -24.916 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.650 27.999 -24.948 1.00 0.00 H new ATOM 0 HG SER A 83 24.032 26.735 -23.579 1.00 0.00 H new ATOM 1220 N SER A 84 25.995 28.499 -27.079 1.00 0.00 N ATOM 1221 CA SER A 84 27.405 28.470 -27.448 1.00 0.00 C ATOM 1222 C SER A 84 28.284 28.250 -26.220 1.00 0.00 C ATOM 1223 O SER A 84 27.788 28.156 -25.098 1.00 0.00 O ATOM 1224 CB SER A 84 27.800 29.774 -28.144 1.00 0.00 C ATOM 1225 OG SER A 84 27.344 29.794 -29.485 1.00 0.00 O ATOM 0 H SER A 84 25.660 29.410 -26.767 1.00 0.00 H new ATOM 0 HA SER A 84 27.557 27.639 -28.136 1.00 0.00 H new ATOM 0 HB2 SER A 84 27.381 30.621 -27.601 1.00 0.00 H new ATOM 0 HB3 SER A 84 28.884 29.887 -28.123 1.00 0.00 H new ATOM 0 HG SER A 84 27.607 30.638 -29.908 1.00 0.00 H new ATOM 1231 N GLY A 85 29.592 28.169 -26.442 1.00 0.00 N ATOM 1232 CA GLY A 85 30.519 27.961 -25.346 1.00 0.00 C ATOM 1233 C GLY A 85 31.832 27.357 -25.803 1.00 0.00 C ATOM 1234 O GLY A 85 32.613 26.864 -24.990 1.00 0.00 O ATOM 0 H GLY A 85 30.026 28.244 -27.362 1.00 0.00 H new ATOM 0 HA2 GLY A 85 30.713 28.913 -24.853 1.00 0.00 H new ATOM 0 HA3 GLY A 85 30.060 27.306 -24.605 1.00 0.00 H new TER 1238 GLY A 85