USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=21 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 21 MET CE :methyl -147:sc= -7.36! (180deg=-11.6!) USER MOD Set 1.2: A 47 MET CE :methyl 158:sc= -3.13 (180deg=-3.9!) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0561 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0372 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+ 153:sc= -0.438 (180deg=-1.28!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -1.24 K(o=-1.2,f=-5.8!) USER MOD Single : A 29 THR OG1 : rot 17:sc= 0.187 USER MOD Single : A 31 MET CE :methyl -119:sc= -3.42! (180deg=-8.51!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -3.5! C(o=-4.1!,f=-3.5!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -1.97 X(o=-2,f=-2.4) USER MOD Single : A 51 GLN : amide:sc= -0.0112 X(o=-0.011,f=-0.42) USER MOD Single : A 53 MET CE :methyl 148:sc= 0 (180deg=-1.17) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 40:sc= 0.595 USER MOD Single : A 73 HIS : no HD1:sc= -0.0564 K(o=-0.056,f=-0.67) USER MOD Single : A 74 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.5!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -54:sc= 0.12 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 11.377 25.918 -21.670 1.00 0.00 N ATOM 2 CA GLY A 1 10.869 25.570 -20.356 1.00 0.00 C ATOM 3 C GLY A 1 11.669 26.207 -19.238 1.00 0.00 C ATOM 4 O GLY A 1 12.799 26.647 -19.446 1.00 0.00 O ATOM 0 H1 GLY A 1 10.687 26.522 -22.160 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.276 26.430 -21.570 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.532 25.051 -22.223 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.828 25.883 -20.278 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.886 24.486 -20.239 1.00 0.00 H new ATOM 8 N SER A 2 11.081 26.258 -18.046 1.00 0.00 N ATOM 9 CA SER A 2 11.744 26.851 -16.891 1.00 0.00 C ATOM 10 C SER A 2 11.692 25.910 -15.692 1.00 0.00 C ATOM 11 O SER A 2 10.734 25.156 -15.522 1.00 0.00 O ATOM 12 CB SER A 2 11.092 28.188 -16.533 1.00 0.00 C ATOM 13 OG SER A 2 11.975 29.000 -15.779 1.00 0.00 O ATOM 0 H SER A 2 10.147 25.896 -17.856 1.00 0.00 H new ATOM 0 HA SER A 2 12.789 27.022 -17.151 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.802 28.710 -17.445 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.180 28.010 -15.963 1.00 0.00 H new ATOM 0 HG SER A 2 11.536 29.849 -15.564 1.00 0.00 H new ATOM 19 N SER A 3 12.731 25.959 -14.864 1.00 0.00 N ATOM 20 CA SER A 3 12.807 25.108 -13.682 1.00 0.00 C ATOM 21 C SER A 3 13.508 25.831 -12.536 1.00 0.00 C ATOM 22 O SER A 3 14.400 26.649 -12.756 1.00 0.00 O ATOM 23 CB SER A 3 13.546 23.809 -14.009 1.00 0.00 C ATOM 24 OG SER A 3 12.837 23.047 -14.970 1.00 0.00 O ATOM 0 H SER A 3 13.531 26.579 -14.990 1.00 0.00 H new ATOM 0 HA SER A 3 11.790 24.870 -13.370 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.543 24.039 -14.386 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.677 23.222 -13.100 1.00 0.00 H new ATOM 0 HG SER A 3 13.331 22.223 -15.163 1.00 0.00 H new ATOM 30 N GLY A 4 13.095 25.524 -11.310 1.00 0.00 N ATOM 31 CA GLY A 4 13.693 26.152 -10.147 1.00 0.00 C ATOM 32 C GLY A 4 13.755 25.221 -8.952 1.00 0.00 C ATOM 33 O GLY A 4 13.336 25.582 -7.852 1.00 0.00 O ATOM 0 H GLY A 4 12.357 24.851 -11.102 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.700 26.486 -10.396 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.119 27.040 -9.882 1.00 0.00 H new ATOM 37 N SER A 5 14.279 24.019 -9.167 1.00 0.00 N ATOM 38 CA SER A 5 14.389 23.031 -8.100 1.00 0.00 C ATOM 39 C SER A 5 15.595 22.123 -8.323 1.00 0.00 C ATOM 40 O SER A 5 15.840 21.659 -9.437 1.00 0.00 O ATOM 41 CB SER A 5 13.113 22.191 -8.020 1.00 0.00 C ATOM 42 OG SER A 5 11.972 23.014 -7.843 1.00 0.00 O ATOM 0 H SER A 5 14.634 23.705 -10.070 1.00 0.00 H new ATOM 0 HA SER A 5 14.525 23.563 -7.159 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.003 21.602 -8.931 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.189 21.486 -7.192 1.00 0.00 H new ATOM 0 HG SER A 5 11.169 22.454 -7.796 1.00 0.00 H new ATOM 48 N SER A 6 16.346 21.874 -7.255 1.00 0.00 N ATOM 49 CA SER A 6 17.529 21.025 -7.333 1.00 0.00 C ATOM 50 C SER A 6 17.166 19.564 -7.086 1.00 0.00 C ATOM 51 O SER A 6 17.595 18.674 -7.818 1.00 0.00 O ATOM 52 CB SER A 6 18.577 21.481 -6.316 1.00 0.00 C ATOM 53 OG SER A 6 19.613 20.522 -6.187 1.00 0.00 O ATOM 0 H SER A 6 16.156 22.248 -6.325 1.00 0.00 H new ATOM 0 HA SER A 6 17.944 21.113 -8.337 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.999 22.437 -6.627 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.103 21.642 -5.348 1.00 0.00 H new ATOM 0 HG SER A 6 20.271 20.837 -5.533 1.00 0.00 H new ATOM 59 N GLY A 7 16.371 19.325 -6.047 1.00 0.00 N ATOM 60 CA GLY A 7 15.964 17.971 -5.720 1.00 0.00 C ATOM 61 C GLY A 7 15.022 17.919 -4.534 1.00 0.00 C ATOM 62 O GLY A 7 13.853 18.288 -4.643 1.00 0.00 O ATOM 0 H GLY A 7 16.002 20.045 -5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.478 17.522 -6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.848 17.371 -5.504 1.00 0.00 H new ATOM 66 N GLY A 8 15.531 17.458 -3.395 1.00 0.00 N ATOM 67 CA GLY A 8 14.712 17.366 -2.200 1.00 0.00 C ATOM 68 C GLY A 8 15.143 16.234 -1.289 1.00 0.00 C ATOM 69 O GLY A 8 14.306 15.500 -0.763 1.00 0.00 O ATOM 0 H GLY A 8 16.495 17.147 -3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.764 18.308 -1.654 1.00 0.00 H new ATOM 0 HA3 GLY A 8 13.671 17.221 -2.487 1.00 0.00 H new ATOM 73 N MET A 9 16.451 16.090 -1.103 1.00 0.00 N ATOM 74 CA MET A 9 16.990 15.038 -0.249 1.00 0.00 C ATOM 75 C MET A 9 18.213 15.533 0.516 1.00 0.00 C ATOM 76 O MET A 9 18.805 16.555 0.167 1.00 0.00 O ATOM 77 CB MET A 9 17.358 13.811 -1.086 1.00 0.00 C ATOM 78 CG MET A 9 16.180 13.212 -1.837 1.00 0.00 C ATOM 79 SD MET A 9 16.667 11.860 -2.926 1.00 0.00 S ATOM 80 CE MET A 9 16.050 12.454 -4.500 1.00 0.00 C ATOM 0 H MET A 9 17.157 16.688 -1.532 1.00 0.00 H new ATOM 0 HA MET A 9 16.221 14.759 0.472 1.00 0.00 H new ATOM 0 HB2 MET A 9 18.132 14.089 -1.802 1.00 0.00 H new ATOM 0 HB3 MET A 9 17.786 13.051 -0.433 1.00 0.00 H new ATOM 0 HG2 MET A 9 15.444 12.849 -1.120 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.695 13.991 -2.425 1.00 0.00 H new ATOM 0 HE1 MET A 9 16.275 11.724 -5.278 1.00 0.00 H new ATOM 0 HE2 MET A 9 14.971 12.596 -4.438 1.00 0.00 H new ATOM 0 HE3 MET A 9 16.528 13.403 -4.743 1.00 0.00 H new ATOM 90 N LYS A 10 18.588 14.801 1.560 1.00 0.00 N ATOM 91 CA LYS A 10 19.742 15.164 2.374 1.00 0.00 C ATOM 92 C LYS A 10 20.810 14.077 2.319 1.00 0.00 C ATOM 93 O LYS A 10 21.420 13.739 3.334 1.00 0.00 O ATOM 94 CB LYS A 10 19.314 15.401 3.825 1.00 0.00 C ATOM 95 CG LYS A 10 18.821 14.147 4.526 1.00 0.00 C ATOM 96 CD LYS A 10 17.328 13.947 4.327 1.00 0.00 C ATOM 97 CE LYS A 10 16.522 14.665 5.398 1.00 0.00 C ATOM 98 NZ LYS A 10 16.356 16.112 5.091 1.00 0.00 N ATOM 0 H LYS A 10 18.109 13.953 1.862 1.00 0.00 H new ATOM 0 HA LYS A 10 20.165 16.084 1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 10 20.157 15.811 4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 10 18.524 16.152 3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 10 19.359 13.280 4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 10 19.041 14.214 5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 10 17.038 14.316 3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 10 17.096 12.882 4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.541 14.198 5.488 1.00 0.00 H new ATOM 0 HE3 LYS A 10 17.018 14.553 6.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.482 16.463 5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 17.170 16.642 5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.300 16.244 4.061 1.00 0.00 H new ATOM 112 N THR A 11 21.034 13.533 1.127 1.00 0.00 N ATOM 113 CA THR A 11 22.029 12.485 0.940 1.00 0.00 C ATOM 114 C THR A 11 23.060 12.887 -0.109 1.00 0.00 C ATOM 115 O THR A 11 22.796 13.737 -0.959 1.00 0.00 O ATOM 116 CB THR A 11 21.373 11.157 0.516 1.00 0.00 C ATOM 117 OG1 THR A 11 20.555 11.362 -0.641 1.00 0.00 O ATOM 118 CG2 THR A 11 20.529 10.586 1.646 1.00 0.00 C ATOM 0 H THR A 11 20.539 13.801 0.276 1.00 0.00 H new ATOM 0 HA THR A 11 22.526 12.346 1.900 1.00 0.00 H new ATOM 0 HB THR A 11 22.164 10.445 0.279 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.143 10.513 -0.905 1.00 0.00 H new ATOM 0 HG21 THR A 11 20.076 9.649 1.324 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.161 10.404 2.515 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.745 11.296 1.909 1.00 0.00 H new ATOM 126 N SER A 12 24.235 12.269 -0.044 1.00 0.00 N ATOM 127 CA SER A 12 25.307 12.565 -0.987 1.00 0.00 C ATOM 128 C SER A 12 26.400 11.502 -0.918 1.00 0.00 C ATOM 129 O SER A 12 26.709 10.983 0.154 1.00 0.00 O ATOM 130 CB SER A 12 25.903 13.944 -0.699 1.00 0.00 C ATOM 131 OG SER A 12 26.531 14.479 -1.850 1.00 0.00 O ATOM 0 H SER A 12 24.469 11.560 0.652 1.00 0.00 H new ATOM 0 HA SER A 12 24.884 12.563 -1.992 1.00 0.00 H new ATOM 0 HB2 SER A 12 25.117 14.620 -0.362 1.00 0.00 H new ATOM 0 HB3 SER A 12 26.627 13.868 0.112 1.00 0.00 H new ATOM 0 HG SER A 12 26.902 15.361 -1.640 1.00 0.00 H new ATOM 137 N GLY A 13 26.981 11.184 -2.070 1.00 0.00 N ATOM 138 CA GLY A 13 28.033 10.185 -2.120 1.00 0.00 C ATOM 139 C GLY A 13 27.490 8.770 -2.106 1.00 0.00 C ATOM 140 O GLY A 13 27.532 8.070 -3.118 1.00 0.00 O ATOM 0 H GLY A 13 26.742 11.600 -2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 13 28.628 10.334 -3.021 1.00 0.00 H new ATOM 0 HA3 GLY A 13 28.701 10.323 -1.270 1.00 0.00 H new ATOM 144 N LYS A 14 26.979 8.346 -0.955 1.00 0.00 N ATOM 145 CA LYS A 14 26.425 7.005 -0.811 1.00 0.00 C ATOM 146 C LYS A 14 24.901 7.049 -0.748 1.00 0.00 C ATOM 147 O LYS A 14 24.314 8.095 -0.475 1.00 0.00 O ATOM 148 CB LYS A 14 26.979 6.334 0.448 1.00 0.00 C ATOM 149 CG LYS A 14 28.446 5.957 0.341 1.00 0.00 C ATOM 150 CD LYS A 14 29.071 5.755 1.711 1.00 0.00 C ATOM 151 CE LYS A 14 30.553 5.428 1.605 1.00 0.00 C ATOM 152 NZ LYS A 14 31.275 5.706 2.877 1.00 0.00 N ATOM 0 H LYS A 14 26.937 8.912 -0.108 1.00 0.00 H new ATOM 0 HA LYS A 14 26.718 6.423 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 14 26.846 7.006 1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 14 26.396 5.437 0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 14 28.546 5.043 -0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 14 28.985 6.738 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 14 28.938 6.656 2.309 1.00 0.00 H new ATOM 0 HD3 LYS A 14 28.556 4.948 2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 14 30.675 4.378 1.340 1.00 0.00 H new ATOM 0 HE3 LYS A 14 30.997 6.013 0.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 32.282 5.470 2.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 31.180 6.714 3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 30.868 5.129 3.640 1.00 0.00 H new ATOM 166 N GLN A 15 24.270 5.908 -1.001 1.00 0.00 N ATOM 167 CA GLN A 15 22.815 5.817 -0.972 1.00 0.00 C ATOM 168 C GLN A 15 22.333 5.215 0.343 1.00 0.00 C ATOM 169 O GLN A 15 23.091 4.546 1.046 1.00 0.00 O ATOM 170 CB GLN A 15 22.311 4.977 -2.147 1.00 0.00 C ATOM 171 CG GLN A 15 22.791 3.535 -2.113 1.00 0.00 C ATOM 172 CD GLN A 15 22.559 2.812 -3.425 1.00 0.00 C ATOM 173 OE1 GLN A 15 21.487 2.915 -4.023 1.00 0.00 O ATOM 174 NE2 GLN A 15 23.565 2.075 -3.881 1.00 0.00 N ATOM 0 H GLN A 15 24.743 5.033 -1.228 1.00 0.00 H new ATOM 0 HA GLN A 15 22.412 6.826 -1.057 1.00 0.00 H new ATOM 0 HB2 GLN A 15 21.221 4.989 -2.150 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.637 5.438 -3.079 1.00 0.00 H new ATOM 0 HG2 GLN A 15 23.854 3.516 -1.875 1.00 0.00 H new ATOM 0 HG3 GLN A 15 22.276 3.003 -1.313 1.00 0.00 H new ATOM 0 HE21 GLN A 15 24.436 2.018 -3.353 1.00 0.00 H new ATOM 0 HE22 GLN A 15 23.467 1.566 -4.759 1.00 0.00 H new ATOM 183 N ASP A 16 21.068 5.455 0.670 1.00 0.00 N ATOM 184 CA ASP A 16 20.484 4.935 1.901 1.00 0.00 C ATOM 185 C ASP A 16 19.114 4.321 1.636 1.00 0.00 C ATOM 186 O ASP A 16 18.183 5.012 1.224 1.00 0.00 O ATOM 187 CB ASP A 16 20.365 6.048 2.944 1.00 0.00 C ATOM 188 CG ASP A 16 21.683 6.755 3.190 1.00 0.00 C ATOM 189 OD1 ASP A 16 22.712 6.061 3.328 1.00 0.00 O ATOM 190 OD2 ASP A 16 21.686 8.002 3.244 1.00 0.00 O ATOM 0 H ASP A 16 20.427 6.007 0.100 1.00 0.00 H new ATOM 0 HA ASP A 16 21.143 4.156 2.285 1.00 0.00 H new ATOM 0 HB2 ASP A 16 19.623 6.774 2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 16 20.002 5.626 3.881 1.00 0.00 H new ATOM 195 N GLU A 17 18.999 3.018 1.873 1.00 0.00 N ATOM 196 CA GLU A 17 17.742 2.311 1.657 1.00 0.00 C ATOM 197 C GLU A 17 16.563 3.120 2.191 1.00 0.00 C ATOM 198 O GLU A 17 15.473 3.099 1.621 1.00 0.00 O ATOM 199 CB GLU A 17 17.780 0.939 2.334 1.00 0.00 C ATOM 200 CG GLU A 17 18.862 0.021 1.789 1.00 0.00 C ATOM 201 CD GLU A 17 18.554 -1.445 2.021 1.00 0.00 C ATOM 202 OE1 GLU A 17 17.818 -1.752 2.982 1.00 0.00 O ATOM 203 OE2 GLU A 17 19.048 -2.286 1.241 1.00 0.00 O ATOM 0 H GLU A 17 19.760 2.431 2.214 1.00 0.00 H new ATOM 0 HA GLU A 17 17.611 2.176 0.583 1.00 0.00 H new ATOM 0 HB2 GLU A 17 17.936 1.075 3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 17 16.810 0.456 2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 17 18.980 0.199 0.720 1.00 0.00 H new ATOM 0 HG3 GLU A 17 19.814 0.267 2.260 1.00 0.00 H new ATOM 210 N ALA A 18 16.792 3.833 3.289 1.00 0.00 N ATOM 211 CA ALA A 18 15.751 4.651 3.899 1.00 0.00 C ATOM 212 C ALA A 18 15.019 5.481 2.849 1.00 0.00 C ATOM 213 O ALA A 18 13.807 5.351 2.677 1.00 0.00 O ATOM 214 CB ALA A 18 16.348 5.556 4.967 1.00 0.00 C ATOM 0 H ALA A 18 17.689 3.861 3.774 1.00 0.00 H new ATOM 0 HA ALA A 18 15.027 3.984 4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.559 6.161 5.414 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.819 4.947 5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.094 6.209 4.515 1.00 0.00 H new ATOM 220 N TRP A 19 15.761 6.333 2.152 1.00 0.00 N ATOM 221 CA TRP A 19 15.181 7.184 1.120 1.00 0.00 C ATOM 222 C TRP A 19 14.558 6.346 0.009 1.00 0.00 C ATOM 223 O TRP A 19 13.553 6.736 -0.586 1.00 0.00 O ATOM 224 CB TRP A 19 16.248 8.113 0.537 1.00 0.00 C ATOM 225 CG TRP A 19 17.126 7.446 -0.478 1.00 0.00 C ATOM 226 CD1 TRP A 19 18.420 7.043 -0.305 1.00 0.00 C ATOM 227 CD2 TRP A 19 16.775 7.106 -1.824 1.00 0.00 C ATOM 228 NE1 TRP A 19 18.893 6.473 -1.462 1.00 0.00 N ATOM 229 CE2 TRP A 19 17.903 6.499 -2.408 1.00 0.00 C ATOM 230 CE3 TRP A 19 15.616 7.253 -2.591 1.00 0.00 C ATOM 231 CZ2 TRP A 19 17.905 6.042 -3.724 1.00 0.00 C ATOM 232 CZ3 TRP A 19 15.619 6.799 -3.896 1.00 0.00 C ATOM 233 CH2 TRP A 19 16.757 6.199 -4.452 1.00 0.00 C ATOM 0 H TRP A 19 16.765 6.453 2.283 1.00 0.00 H new ATOM 0 HA TRP A 19 14.396 7.785 1.579 1.00 0.00 H new ATOM 0 HB2 TRP A 19 15.759 8.972 0.076 1.00 0.00 H new ATOM 0 HB3 TRP A 19 16.868 8.496 1.347 1.00 0.00 H new ATOM 0 HD1 TRP A 19 18.987 7.156 0.607 1.00 0.00 H new ATOM 0 HE1 TRP A 19 19.830 6.092 -1.595 1.00 0.00 H new ATOM 0 HE3 TRP A 19 14.734 7.713 -2.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 18.781 5.580 -4.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 14.729 6.908 -4.498 1.00 0.00 H new ATOM 0 HH2 TRP A 19 16.727 5.854 -5.475 1.00 0.00 H new ATOM 244 N ILE A 20 15.160 5.193 -0.265 1.00 0.00 N ATOM 245 CA ILE A 20 14.662 4.300 -1.303 1.00 0.00 C ATOM 246 C ILE A 20 13.262 3.796 -0.969 1.00 0.00 C ATOM 247 O ILE A 20 12.359 3.841 -1.805 1.00 0.00 O ATOM 248 CB ILE A 20 15.596 3.092 -1.502 1.00 0.00 C ATOM 249 CG1 ILE A 20 16.968 3.557 -1.996 1.00 0.00 C ATOM 250 CG2 ILE A 20 14.982 2.103 -2.482 1.00 0.00 C ATOM 251 CD1 ILE A 20 18.039 2.493 -1.894 1.00 0.00 C ATOM 0 H ILE A 20 15.993 4.856 0.218 1.00 0.00 H new ATOM 0 HA ILE A 20 14.627 4.878 -2.226 1.00 0.00 H new ATOM 0 HB ILE A 20 15.726 2.590 -0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 20 16.882 3.876 -3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 20 17.277 4.429 -1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.654 1.255 -2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.026 1.752 -2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.826 2.593 -3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 20 18.984 2.892 -2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 20 18.153 2.190 -0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 20 17.752 1.629 -2.494 1.00 0.00 H new ATOM 263 N MET A 21 13.088 3.317 0.258 1.00 0.00 N ATOM 264 CA MET A 21 11.796 2.807 0.704 1.00 0.00 C ATOM 265 C MET A 21 10.654 3.605 0.083 1.00 0.00 C ATOM 266 O MET A 21 9.669 3.034 -0.386 1.00 0.00 O ATOM 267 CB MET A 21 11.701 2.861 2.230 1.00 0.00 C ATOM 268 CG MET A 21 10.370 2.368 2.773 1.00 0.00 C ATOM 269 SD MET A 21 10.354 0.588 3.061 1.00 0.00 S ATOM 270 CE MET A 21 10.161 -0.024 1.389 1.00 0.00 C ATOM 0 H MET A 21 13.825 3.271 0.962 1.00 0.00 H new ATOM 0 HA MET A 21 11.711 1.770 0.379 1.00 0.00 H new ATOM 0 HB2 MET A 21 12.504 2.260 2.657 1.00 0.00 H new ATOM 0 HB3 MET A 21 11.861 3.887 2.560 1.00 0.00 H new ATOM 0 HG2 MET A 21 10.149 2.885 3.707 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.577 2.626 2.070 1.00 0.00 H new ATOM 0 HE1 MET A 21 9.576 -0.943 1.403 1.00 0.00 H new ATOM 0 HE2 MET A 21 9.647 0.724 0.785 1.00 0.00 H new ATOM 0 HE3 MET A 21 11.142 -0.226 0.960 1.00 0.00 H new ATOM 280 N SER A 22 10.792 4.927 0.084 1.00 0.00 N ATOM 281 CA SER A 22 9.769 5.802 -0.475 1.00 0.00 C ATOM 282 C SER A 22 9.461 5.424 -1.921 1.00 0.00 C ATOM 283 O SER A 22 8.299 5.278 -2.302 1.00 0.00 O ATOM 284 CB SER A 22 10.222 7.262 -0.404 1.00 0.00 C ATOM 285 OG SER A 22 9.135 8.145 -0.623 1.00 0.00 O ATOM 0 H SER A 22 11.602 5.415 0.466 1.00 0.00 H new ATOM 0 HA SER A 22 8.861 5.681 0.116 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.666 7.461 0.572 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.997 7.442 -1.149 1.00 0.00 H new ATOM 0 HG SER A 22 9.450 9.071 -0.571 1.00 0.00 H new ATOM 291 N ARG A 23 10.510 5.266 -2.721 1.00 0.00 N ATOM 292 CA ARG A 23 10.353 4.906 -4.125 1.00 0.00 C ATOM 293 C ARG A 23 9.213 3.907 -4.306 1.00 0.00 C ATOM 294 O ARG A 23 8.302 4.127 -5.105 1.00 0.00 O ATOM 295 CB ARG A 23 11.654 4.315 -4.671 1.00 0.00 C ATOM 296 CG ARG A 23 12.742 5.351 -4.906 1.00 0.00 C ATOM 297 CD ARG A 23 13.721 4.896 -5.977 1.00 0.00 C ATOM 298 NE ARG A 23 13.236 5.192 -7.323 1.00 0.00 N ATOM 299 CZ ARG A 23 13.382 6.373 -7.914 1.00 0.00 C ATOM 300 NH1 ARG A 23 13.996 7.363 -7.281 1.00 0.00 N ATOM 301 NH2 ARG A 23 12.914 6.564 -9.140 1.00 0.00 N ATOM 0 H ARG A 23 11.478 5.382 -2.421 1.00 0.00 H new ATOM 0 HA ARG A 23 10.112 5.812 -4.681 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.024 3.564 -3.972 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.444 3.801 -5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.288 6.296 -5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.279 5.535 -3.975 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.682 5.387 -5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.891 3.824 -5.881 1.00 0.00 H new ATOM 0 HE ARG A 23 12.759 4.451 -7.837 1.00 0.00 H new ATOM 0 HH11 ARG A 23 14.358 7.219 -6.338 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.107 8.269 -7.737 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.442 5.804 -9.630 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.026 7.471 -9.593 1.00 0.00 H new ATOM 315 N LEU A 24 9.271 2.810 -3.559 1.00 0.00 N ATOM 316 CA LEU A 24 8.244 1.777 -3.637 1.00 0.00 C ATOM 317 C LEU A 24 6.891 2.320 -3.189 1.00 0.00 C ATOM 318 O LEU A 24 5.847 1.905 -3.694 1.00 0.00 O ATOM 319 CB LEU A 24 8.636 0.575 -2.775 1.00 0.00 C ATOM 320 CG LEU A 24 10.039 0.013 -3.005 1.00 0.00 C ATOM 321 CD1 LEU A 24 10.362 -1.054 -1.971 1.00 0.00 C ATOM 322 CD2 LEU A 24 10.163 -0.551 -4.413 1.00 0.00 C ATOM 0 H LEU A 24 10.018 2.613 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 24 8.161 1.459 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.548 0.861 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.914 -0.223 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 24 10.758 0.825 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.364 -1.443 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 24 10.315 -0.619 -0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.639 -1.866 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.168 -0.947 -4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 24 9.435 -1.350 -4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.975 0.240 -5.139 1.00 0.00 H new ATOM 334 N ILE A 25 6.917 3.249 -2.240 1.00 0.00 N ATOM 335 CA ILE A 25 5.692 3.851 -1.727 1.00 0.00 C ATOM 336 C ILE A 25 5.033 4.737 -2.778 1.00 0.00 C ATOM 337 O ILE A 25 3.815 4.706 -2.958 1.00 0.00 O ATOM 338 CB ILE A 25 5.962 4.687 -0.463 1.00 0.00 C ATOM 339 CG1 ILE A 25 6.795 3.884 0.538 1.00 0.00 C ATOM 340 CG2 ILE A 25 4.651 5.132 0.168 1.00 0.00 C ATOM 341 CD1 ILE A 25 5.968 2.978 1.424 1.00 0.00 C ATOM 0 H ILE A 25 7.772 3.601 -1.811 1.00 0.00 H new ATOM 0 HA ILE A 25 5.020 3.031 -1.473 1.00 0.00 H new ATOM 0 HB ILE A 25 6.526 5.575 -0.747 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.521 3.281 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.360 4.574 1.165 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.859 5.722 1.061 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.091 5.737 -0.545 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.063 4.256 0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.624 2.440 2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.260 3.577 1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.423 2.264 0.807 1.00 0.00 H new ATOM 353 N LYS A 26 5.845 5.527 -3.472 1.00 0.00 N ATOM 354 CA LYS A 26 5.343 6.421 -4.509 1.00 0.00 C ATOM 355 C LYS A 26 4.334 5.706 -5.402 1.00 0.00 C ATOM 356 O LYS A 26 3.203 6.163 -5.562 1.00 0.00 O ATOM 357 CB LYS A 26 6.501 6.955 -5.355 1.00 0.00 C ATOM 358 CG LYS A 26 6.104 8.090 -6.282 1.00 0.00 C ATOM 359 CD LYS A 26 6.165 9.434 -5.576 1.00 0.00 C ATOM 360 CE LYS A 26 7.589 9.964 -5.507 1.00 0.00 C ATOM 361 NZ LYS A 26 7.783 10.885 -4.354 1.00 0.00 N ATOM 0 H LYS A 26 6.855 5.566 -3.335 1.00 0.00 H new ATOM 0 HA LYS A 26 4.842 7.257 -4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.295 7.299 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.912 6.139 -5.949 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.766 8.102 -7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.094 7.920 -6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.534 10.151 -6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.763 9.335 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.284 9.128 -5.425 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.827 10.487 -6.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.766 11.224 -4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.138 11.696 -4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.581 10.379 -3.468 1.00 0.00 H new ATOM 375 N GLN A 27 4.751 4.584 -5.978 1.00 0.00 N ATOM 376 CA GLN A 27 3.882 3.807 -6.854 1.00 0.00 C ATOM 377 C GLN A 27 2.509 3.609 -6.221 1.00 0.00 C ATOM 378 O GLN A 27 1.482 3.888 -6.842 1.00 0.00 O ATOM 379 CB GLN A 27 4.516 2.449 -7.161 1.00 0.00 C ATOM 380 CG GLN A 27 5.719 2.534 -8.086 1.00 0.00 C ATOM 381 CD GLN A 27 5.327 2.740 -9.536 1.00 0.00 C ATOM 382 OE1 GLN A 27 4.498 3.594 -9.852 1.00 0.00 O ATOM 383 NE2 GLN A 27 5.922 1.956 -10.428 1.00 0.00 N ATOM 0 H GLN A 27 5.685 4.192 -5.854 1.00 0.00 H new ATOM 0 HA GLN A 27 3.756 4.360 -7.785 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.820 1.980 -6.225 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.765 1.801 -7.614 1.00 0.00 H new ATOM 0 HG2 GLN A 27 6.361 3.355 -7.767 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.305 1.619 -7.999 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.603 1.261 -10.122 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.698 2.049 -11.419 1.00 0.00 H new ATOM 392 N LEU A 28 2.496 3.125 -4.984 1.00 0.00 N ATOM 393 CA LEU A 28 1.248 2.890 -4.267 1.00 0.00 C ATOM 394 C LEU A 28 0.491 4.196 -4.048 1.00 0.00 C ATOM 395 O LEU A 28 -0.647 4.349 -4.493 1.00 0.00 O ATOM 396 CB LEU A 28 1.529 2.218 -2.922 1.00 0.00 C ATOM 397 CG LEU A 28 1.543 0.689 -2.925 1.00 0.00 C ATOM 398 CD1 LEU A 28 2.612 0.167 -3.873 1.00 0.00 C ATOM 399 CD2 LEU A 28 1.768 0.154 -1.518 1.00 0.00 C ATOM 0 H LEU A 28 3.336 2.888 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 28 0.628 2.230 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.494 2.569 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.777 2.553 -2.207 1.00 0.00 H new ATOM 0 HG LEU A 28 0.573 0.337 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.607 -0.923 -3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.406 0.521 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.589 0.529 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.775 -0.936 -1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.724 0.515 -1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.966 0.499 -0.865 1.00 0.00 H new ATOM 411 N THR A 29 1.131 5.136 -3.360 1.00 0.00 N ATOM 412 CA THR A 29 0.519 6.430 -3.082 1.00 0.00 C ATOM 413 C THR A 29 -0.129 7.011 -4.334 1.00 0.00 C ATOM 414 O THR A 29 -1.069 7.802 -4.247 1.00 0.00 O ATOM 415 CB THR A 29 1.552 7.435 -2.539 1.00 0.00 C ATOM 416 OG1 THR A 29 2.704 7.462 -3.389 1.00 0.00 O ATOM 417 CG2 THR A 29 1.969 7.069 -1.122 1.00 0.00 C ATOM 0 H THR A 29 2.073 5.026 -2.985 1.00 0.00 H new ATOM 0 HA THR A 29 -0.246 6.262 -2.324 1.00 0.00 H new ATOM 0 HB THR A 29 1.091 8.423 -2.522 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.483 7.055 -4.253 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.699 7.793 -0.759 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.094 7.078 -0.471 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.413 6.073 -1.119 1.00 0.00 H new ATOM 425 N ASP A 30 0.377 6.614 -5.496 1.00 0.00 N ATOM 426 CA ASP A 30 -0.154 7.094 -6.766 1.00 0.00 C ATOM 427 C ASP A 30 -1.475 6.407 -7.097 1.00 0.00 C ATOM 428 O ASP A 30 -2.369 7.011 -7.688 1.00 0.00 O ATOM 429 CB ASP A 30 0.856 6.854 -7.889 1.00 0.00 C ATOM 430 CG ASP A 30 1.820 8.012 -8.058 1.00 0.00 C ATOM 431 OD1 ASP A 30 1.359 9.173 -8.051 1.00 0.00 O ATOM 432 OD2 ASP A 30 3.034 7.758 -8.198 1.00 0.00 O ATOM 0 H ASP A 30 1.155 5.960 -5.585 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.335 8.165 -6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.419 5.944 -7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.322 6.690 -8.825 1.00 0.00 H new ATOM 437 N MET A 31 -1.589 5.139 -6.714 1.00 0.00 N ATOM 438 CA MET A 31 -2.801 4.370 -6.971 1.00 0.00 C ATOM 439 C MET A 31 -3.973 4.915 -6.161 1.00 0.00 C ATOM 440 O MET A 31 -4.937 5.438 -6.720 1.00 0.00 O ATOM 441 CB MET A 31 -2.575 2.895 -6.633 1.00 0.00 C ATOM 442 CG MET A 31 -1.645 2.185 -7.603 1.00 0.00 C ATOM 443 SD MET A 31 -1.414 0.444 -7.195 1.00 0.00 S ATOM 444 CE MET A 31 0.233 0.477 -6.493 1.00 0.00 C ATOM 0 H MET A 31 -0.857 4.623 -6.225 1.00 0.00 H new ATOM 0 HA MET A 31 -3.041 4.461 -8.030 1.00 0.00 H new ATOM 0 HB2 MET A 31 -2.163 2.820 -5.627 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.536 2.382 -6.623 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.048 2.267 -8.613 1.00 0.00 H new ATOM 0 HG3 MET A 31 -0.677 2.685 -7.604 1.00 0.00 H new ATOM 0 HE1 MET A 31 0.895 -0.152 -7.088 1.00 0.00 H new ATOM 0 HE2 MET A 31 0.608 1.500 -6.493 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.200 0.103 -5.470 1.00 0.00 H new ATOM 454 N GLY A 32 -3.884 4.790 -4.840 1.00 0.00 N ATOM 455 CA GLY A 32 -4.944 5.275 -3.976 1.00 0.00 C ATOM 456 C GLY A 32 -4.832 4.736 -2.563 1.00 0.00 C ATOM 457 O GLY A 32 -5.840 4.415 -1.932 1.00 0.00 O ATOM 0 H GLY A 32 -3.097 4.362 -4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.917 6.364 -3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.909 4.990 -4.395 1.00 0.00 H new ATOM 461 N PHE A 33 -3.604 4.634 -2.066 1.00 0.00 N ATOM 462 CA PHE A 33 -3.364 4.127 -0.720 1.00 0.00 C ATOM 463 C PHE A 33 -2.375 5.017 0.028 1.00 0.00 C ATOM 464 O PHE A 33 -1.425 5.550 -0.545 1.00 0.00 O ATOM 465 CB PHE A 33 -2.834 2.693 -0.779 1.00 0.00 C ATOM 466 CG PHE A 33 -3.556 1.828 -1.772 1.00 0.00 C ATOM 467 CD1 PHE A 33 -4.924 1.632 -1.675 1.00 0.00 C ATOM 468 CD2 PHE A 33 -2.866 1.211 -2.803 1.00 0.00 C ATOM 469 CE1 PHE A 33 -5.590 0.835 -2.587 1.00 0.00 C ATOM 470 CE2 PHE A 33 -3.526 0.414 -3.719 1.00 0.00 C ATOM 471 CZ PHE A 33 -4.890 0.226 -3.611 1.00 0.00 C ATOM 0 H PHE A 33 -2.760 4.896 -2.575 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.312 4.134 -0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.774 2.716 -1.032 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.916 2.243 0.210 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.476 2.107 -0.878 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.799 1.355 -2.892 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.656 0.688 -2.499 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.976 -0.061 -4.518 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.409 -0.396 -4.326 1.00 0.00 H new ATOM 481 N PRO A 34 -2.604 5.182 1.340 1.00 0.00 N ATOM 482 CA PRO A 34 -1.744 6.007 2.195 1.00 0.00 C ATOM 483 C PRO A 34 -0.371 5.380 2.413 1.00 0.00 C ATOM 484 O PRO A 34 -0.188 4.179 2.214 1.00 0.00 O ATOM 485 CB PRO A 34 -2.517 6.074 3.514 1.00 0.00 C ATOM 486 CG PRO A 34 -3.358 4.844 3.524 1.00 0.00 C ATOM 487 CD PRO A 34 -3.718 4.577 2.088 1.00 0.00 C ATOM 0 HA PRO A 34 -1.543 6.983 1.752 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.841 6.098 4.368 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -3.130 6.973 3.568 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.814 4.003 3.953 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.252 4.988 4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.804 3.509 1.887 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.673 5.029 1.822 1.00 0.00 H new ATOM 495 N ARG A 35 0.590 6.200 2.823 1.00 0.00 N ATOM 496 CA ARG A 35 1.947 5.726 3.068 1.00 0.00 C ATOM 497 C ARG A 35 2.003 4.866 4.327 1.00 0.00 C ATOM 498 O ARG A 35 2.832 3.963 4.436 1.00 0.00 O ATOM 499 CB ARG A 35 2.907 6.909 3.202 1.00 0.00 C ATOM 500 CG ARG A 35 2.563 7.846 4.348 1.00 0.00 C ATOM 501 CD ARG A 35 3.007 9.271 4.056 1.00 0.00 C ATOM 502 NE ARG A 35 3.347 10.000 5.275 1.00 0.00 N ATOM 503 CZ ARG A 35 4.090 11.101 5.290 1.00 0.00 C ATOM 504 NH1 ARG A 35 4.567 11.598 4.157 1.00 0.00 N ATOM 505 NH2 ARG A 35 4.356 11.707 6.439 1.00 0.00 N ATOM 0 H ARG A 35 0.454 7.197 2.993 1.00 0.00 H new ATOM 0 HA ARG A 35 2.251 5.115 2.218 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.919 6.530 3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.907 7.474 2.270 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.487 7.828 4.524 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.041 7.495 5.262 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.871 9.252 3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.211 9.798 3.529 1.00 0.00 H new ATOM 0 HE ARG A 35 2.995 9.644 6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.364 11.135 3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.137 12.444 4.171 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.990 11.328 7.312 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.927 12.552 6.450 1.00 0.00 H new ATOM 519 N GLU A 36 1.116 5.154 5.274 1.00 0.00 N ATOM 520 CA GLU A 36 1.067 4.407 6.526 1.00 0.00 C ATOM 521 C GLU A 36 1.236 2.911 6.274 1.00 0.00 C ATOM 522 O GLU A 36 2.212 2.292 6.697 1.00 0.00 O ATOM 523 CB GLU A 36 -0.256 4.667 7.249 1.00 0.00 C ATOM 524 CG GLU A 36 -0.170 5.758 8.303 1.00 0.00 C ATOM 525 CD GLU A 36 -1.243 5.628 9.366 1.00 0.00 C ATOM 526 OE1 GLU A 36 -2.160 4.800 9.187 1.00 0.00 O ATOM 527 OE2 GLU A 36 -1.166 6.357 10.378 1.00 0.00 O ATOM 0 H GLU A 36 0.422 5.898 5.199 1.00 0.00 H new ATOM 0 HA GLU A 36 1.890 4.747 7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.013 4.942 6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.590 3.743 7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.811 5.724 8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.258 6.732 7.821 1.00 0.00 H new ATOM 534 N PRO A 37 0.263 2.317 5.569 1.00 0.00 N ATOM 535 CA PRO A 37 0.280 0.887 5.245 1.00 0.00 C ATOM 536 C PRO A 37 1.364 0.536 4.231 1.00 0.00 C ATOM 537 O PRO A 37 2.156 -0.380 4.447 1.00 0.00 O ATOM 538 CB PRO A 37 -1.108 0.641 4.650 1.00 0.00 C ATOM 539 CG PRO A 37 -1.532 1.966 4.116 1.00 0.00 C ATOM 540 CD PRO A 37 -0.930 2.994 5.033 1.00 0.00 C ATOM 0 HA PRO A 37 0.498 0.274 6.119 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.073 -0.111 3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.804 0.278 5.406 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.183 2.104 3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.619 2.049 4.096 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.667 3.906 4.497 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.621 3.278 5.826 1.00 0.00 H new ATOM 548 N ALA A 38 1.392 1.271 3.124 1.00 0.00 N ATOM 549 CA ALA A 38 2.381 1.039 2.078 1.00 0.00 C ATOM 550 C ALA A 38 3.764 0.800 2.673 1.00 0.00 C ATOM 551 O ALA A 38 4.536 -0.012 2.165 1.00 0.00 O ATOM 552 CB ALA A 38 2.414 2.215 1.113 1.00 0.00 C ATOM 0 H ALA A 38 0.741 2.032 2.928 1.00 0.00 H new ATOM 0 HA ALA A 38 2.091 0.142 1.530 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.157 2.028 0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.433 2.337 0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.676 3.123 1.655 1.00 0.00 H new ATOM 558 N GLU A 39 4.071 1.514 3.751 1.00 0.00 N ATOM 559 CA GLU A 39 5.363 1.380 4.414 1.00 0.00 C ATOM 560 C GLU A 39 5.422 0.096 5.236 1.00 0.00 C ATOM 561 O GLU A 39 6.289 -0.751 5.020 1.00 0.00 O ATOM 562 CB GLU A 39 5.627 2.588 5.315 1.00 0.00 C ATOM 563 CG GLU A 39 6.860 2.438 6.189 1.00 0.00 C ATOM 564 CD GLU A 39 6.872 3.409 7.354 1.00 0.00 C ATOM 565 OE1 GLU A 39 7.052 4.621 7.112 1.00 0.00 O ATOM 566 OE2 GLU A 39 6.702 2.958 8.505 1.00 0.00 O ATOM 0 H GLU A 39 3.443 2.191 4.184 1.00 0.00 H new ATOM 0 HA GLU A 39 6.134 1.334 3.645 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.739 3.476 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.758 2.752 5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.908 1.418 6.571 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.752 2.594 5.582 1.00 0.00 H new ATOM 573 N GLU A 40 4.495 -0.040 6.178 1.00 0.00 N ATOM 574 CA GLU A 40 4.443 -1.220 7.033 1.00 0.00 C ATOM 575 C GLU A 40 4.422 -2.497 6.198 1.00 0.00 C ATOM 576 O GLU A 40 5.277 -3.368 6.355 1.00 0.00 O ATOM 577 CB GLU A 40 3.209 -1.168 7.937 1.00 0.00 C ATOM 578 CG GLU A 40 3.272 -0.075 8.990 1.00 0.00 C ATOM 579 CD GLU A 40 4.420 -0.266 9.962 1.00 0.00 C ATOM 580 OE1 GLU A 40 4.412 -1.276 10.697 1.00 0.00 O ATOM 581 OE2 GLU A 40 5.325 0.594 9.988 1.00 0.00 O ATOM 0 H GLU A 40 3.770 0.652 6.369 1.00 0.00 H new ATOM 0 HA GLU A 40 5.339 -1.227 7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.323 -1.016 7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.091 -2.132 8.432 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.374 0.892 8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.333 -0.054 9.543 1.00 0.00 H new ATOM 588 N ALA A 41 3.438 -2.600 5.310 1.00 0.00 N ATOM 589 CA ALA A 41 3.306 -3.768 4.449 1.00 0.00 C ATOM 590 C ALA A 41 4.640 -4.131 3.806 1.00 0.00 C ATOM 591 O ALA A 41 5.217 -5.180 4.097 1.00 0.00 O ATOM 592 CB ALA A 41 2.253 -3.519 3.379 1.00 0.00 C ATOM 0 H ALA A 41 2.721 -1.888 5.169 1.00 0.00 H new ATOM 0 HA ALA A 41 2.990 -4.609 5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.165 -4.400 2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.293 -3.317 3.854 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.546 -2.662 2.773 1.00 0.00 H new ATOM 598 N LEU A 42 5.126 -3.258 2.931 1.00 0.00 N ATOM 599 CA LEU A 42 6.394 -3.486 2.246 1.00 0.00 C ATOM 600 C LEU A 42 7.390 -4.188 3.163 1.00 0.00 C ATOM 601 O LEU A 42 7.917 -5.249 2.829 1.00 0.00 O ATOM 602 CB LEU A 42 6.979 -2.159 1.759 1.00 0.00 C ATOM 603 CG LEU A 42 6.503 -1.678 0.388 1.00 0.00 C ATOM 604 CD1 LEU A 42 6.857 -0.214 0.183 1.00 0.00 C ATOM 605 CD2 LEU A 42 7.105 -2.534 -0.716 1.00 0.00 C ATOM 0 H LEU A 42 4.662 -2.386 2.679 1.00 0.00 H new ATOM 0 HA LEU A 42 6.204 -4.129 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.743 -1.389 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.065 -2.252 1.732 1.00 0.00 H new ATOM 0 HG LEU A 42 5.418 -1.777 0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.510 0.110 -0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.377 0.388 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.938 -0.089 0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.755 -2.177 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.192 -2.468 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.799 -3.571 -0.580 1.00 0.00 H new ATOM 617 N LYS A 43 7.642 -3.590 4.323 1.00 0.00 N ATOM 618 CA LYS A 43 8.571 -4.159 5.292 1.00 0.00 C ATOM 619 C LYS A 43 8.294 -5.643 5.505 1.00 0.00 C ATOM 620 O LYS A 43 9.219 -6.452 5.581 1.00 0.00 O ATOM 621 CB LYS A 43 8.471 -3.413 6.624 1.00 0.00 C ATOM 622 CG LYS A 43 9.139 -2.049 6.610 1.00 0.00 C ATOM 623 CD LYS A 43 9.617 -1.648 7.996 1.00 0.00 C ATOM 624 CE LYS A 43 11.041 -2.118 8.253 1.00 0.00 C ATOM 625 NZ LYS A 43 11.540 -1.674 9.583 1.00 0.00 N ATOM 0 H LYS A 43 7.215 -2.711 4.615 1.00 0.00 H new ATOM 0 HA LYS A 43 9.581 -4.050 4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.420 -3.290 6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.924 -4.022 7.406 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.985 -2.064 5.923 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.438 -1.303 6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.566 -0.564 8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.952 -2.072 8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.080 -3.206 8.195 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.697 -1.733 7.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.513 -2.014 9.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.527 -0.635 9.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.929 -2.062 10.330 1.00 0.00 H new ATOM 639 N SER A 44 7.016 -5.994 5.600 1.00 0.00 N ATOM 640 CA SER A 44 6.617 -7.382 5.808 1.00 0.00 C ATOM 641 C SER A 44 6.640 -8.155 4.493 1.00 0.00 C ATOM 642 O SER A 44 6.833 -9.370 4.479 1.00 0.00 O ATOM 643 CB SER A 44 5.220 -7.446 6.426 1.00 0.00 C ATOM 644 OG SER A 44 4.850 -8.784 6.713 1.00 0.00 O ATOM 0 H SER A 44 6.239 -5.337 5.536 1.00 0.00 H new ATOM 0 HA SER A 44 7.330 -7.841 6.493 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.196 -6.855 7.341 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.496 -7.004 5.742 1.00 0.00 H new ATOM 0 HG SER A 44 3.954 -8.798 7.109 1.00 0.00 H new ATOM 650 N ASN A 45 6.442 -7.441 3.390 1.00 0.00 N ATOM 651 CA ASN A 45 6.439 -8.060 2.069 1.00 0.00 C ATOM 652 C ASN A 45 7.847 -8.100 1.484 1.00 0.00 C ATOM 653 O ASN A 45 8.025 -8.078 0.267 1.00 0.00 O ATOM 654 CB ASN A 45 5.505 -7.297 1.128 1.00 0.00 C ATOM 655 CG ASN A 45 4.043 -7.487 1.485 1.00 0.00 C ATOM 656 OD1 ASN A 45 3.446 -6.470 2.096 1.00 0.00 O flip ATOM 657 ND2 ASN A 45 3.458 -8.536 1.215 1.00 0.00 N flip ATOM 0 H ASN A 45 6.282 -6.434 3.384 1.00 0.00 H new ATOM 0 HA ASN A 45 6.080 -9.084 2.175 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.749 -6.235 1.160 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.673 -7.631 0.104 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.956 -9.291 0.745 1.00 0.00 H new ATOM 0 HD22 ASN A 45 2.475 -8.650 1.462 1.00 0.00 H new ATOM 664 N ASN A 46 8.845 -8.157 2.360 1.00 0.00 N ATOM 665 CA ASN A 46 10.238 -8.200 1.930 1.00 0.00 C ATOM 666 C ASN A 46 10.504 -7.163 0.843 1.00 0.00 C ATOM 667 O ASN A 46 11.199 -7.438 -0.134 1.00 0.00 O ATOM 668 CB ASN A 46 10.593 -9.597 1.416 1.00 0.00 C ATOM 669 CG ASN A 46 10.483 -10.655 2.496 1.00 0.00 C ATOM 670 OD1 ASN A 46 9.455 -11.319 2.629 1.00 0.00 O ATOM 671 ND2 ASN A 46 11.547 -10.819 3.274 1.00 0.00 N ATOM 0 H ASN A 46 8.715 -8.174 3.372 1.00 0.00 H new ATOM 0 HA ASN A 46 10.865 -7.967 2.791 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.932 -9.856 0.589 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.609 -9.589 1.021 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.533 -11.517 4.017 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.378 -10.246 3.128 1.00 0.00 H new ATOM 678 N MET A 47 9.947 -5.970 1.022 1.00 0.00 N ATOM 679 CA MET A 47 10.125 -4.891 0.058 1.00 0.00 C ATOM 680 C MET A 47 9.537 -5.270 -1.297 1.00 0.00 C ATOM 681 O MET A 47 10.100 -4.944 -2.342 1.00 0.00 O ATOM 682 CB MET A 47 11.610 -4.554 -0.094 1.00 0.00 C ATOM 683 CG MET A 47 12.302 -4.250 1.225 1.00 0.00 C ATOM 684 SD MET A 47 12.133 -2.523 1.716 1.00 0.00 S ATOM 685 CE MET A 47 10.971 -2.669 3.072 1.00 0.00 C ATOM 0 H MET A 47 9.368 -5.726 1.826 1.00 0.00 H new ATOM 0 HA MET A 47 9.597 -4.014 0.431 1.00 0.00 H new ATOM 0 HB2 MET A 47 12.116 -5.390 -0.576 1.00 0.00 H new ATOM 0 HB3 MET A 47 11.713 -3.694 -0.756 1.00 0.00 H new ATOM 0 HG2 MET A 47 11.886 -4.888 2.005 1.00 0.00 H new ATOM 0 HG3 MET A 47 13.360 -4.498 1.141 1.00 0.00 H new ATOM 0 HE1 MET A 47 11.056 -1.796 3.719 1.00 0.00 H new ATOM 0 HE2 MET A 47 9.957 -2.731 2.677 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.193 -3.569 3.646 1.00 0.00 H new ATOM 695 N ASN A 48 8.402 -5.962 -1.272 1.00 0.00 N ATOM 696 CA ASN A 48 7.739 -6.386 -2.500 1.00 0.00 C ATOM 697 C ASN A 48 6.502 -5.536 -2.772 1.00 0.00 C ATOM 698 O ASN A 48 5.777 -5.161 -1.849 1.00 0.00 O ATOM 699 CB ASN A 48 7.346 -7.862 -2.408 1.00 0.00 C ATOM 700 CG ASN A 48 8.553 -8.777 -2.317 1.00 0.00 C ATOM 701 OD1 ASN A 48 9.677 -8.371 -2.611 1.00 0.00 O ATOM 702 ND2 ASN A 48 8.323 -10.019 -1.908 1.00 0.00 N ATOM 0 H ASN A 48 7.923 -6.241 -0.416 1.00 0.00 H new ATOM 0 HA ASN A 48 8.438 -6.253 -3.325 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.712 -8.013 -1.534 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.753 -8.133 -3.282 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.095 -10.680 -1.827 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.374 -10.312 -1.675 1.00 0.00 H new ATOM 709 N LEU A 49 6.266 -5.235 -4.044 1.00 0.00 N ATOM 710 CA LEU A 49 5.116 -4.429 -4.439 1.00 0.00 C ATOM 711 C LEU A 49 3.886 -5.305 -4.657 1.00 0.00 C ATOM 712 O LEU A 49 2.883 -5.169 -3.956 1.00 0.00 O ATOM 713 CB LEU A 49 5.431 -3.646 -5.714 1.00 0.00 C ATOM 714 CG LEU A 49 4.690 -2.319 -5.888 1.00 0.00 C ATOM 715 CD1 LEU A 49 5.087 -1.339 -4.795 1.00 0.00 C ATOM 716 CD2 LEU A 49 4.967 -1.729 -7.263 1.00 0.00 C ATOM 0 H LEU A 49 6.856 -5.537 -4.820 1.00 0.00 H new ATOM 0 HA LEU A 49 4.901 -3.727 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.502 -3.447 -5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.205 -4.280 -6.571 1.00 0.00 H new ATOM 0 HG LEU A 49 3.620 -2.509 -5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.550 -0.401 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.836 -1.759 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.160 -1.154 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.432 -0.785 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.037 -1.554 -7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.631 -2.425 -8.032 1.00 0.00 H new ATOM 728 N ASP A 50 3.972 -6.204 -5.631 1.00 0.00 N ATOM 729 CA ASP A 50 2.867 -7.105 -5.939 1.00 0.00 C ATOM 730 C ASP A 50 2.290 -7.713 -4.665 1.00 0.00 C ATOM 731 O ASP A 50 1.073 -7.810 -4.509 1.00 0.00 O ATOM 732 CB ASP A 50 3.335 -8.215 -6.882 1.00 0.00 C ATOM 733 CG ASP A 50 2.178 -8.926 -7.557 1.00 0.00 C ATOM 734 OD1 ASP A 50 1.134 -9.117 -6.899 1.00 0.00 O ATOM 735 OD2 ASP A 50 2.317 -9.292 -8.744 1.00 0.00 O ATOM 0 H ASP A 50 4.795 -6.328 -6.221 1.00 0.00 H new ATOM 0 HA ASP A 50 2.085 -6.527 -6.430 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.990 -7.790 -7.642 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.926 -8.939 -6.321 1.00 0.00 H new ATOM 740 N GLN A 51 3.172 -8.121 -3.758 1.00 0.00 N ATOM 741 CA GLN A 51 2.748 -8.721 -2.498 1.00 0.00 C ATOM 742 C GLN A 51 2.014 -7.705 -1.630 1.00 0.00 C ATOM 743 O GLN A 51 0.968 -8.005 -1.056 1.00 0.00 O ATOM 744 CB GLN A 51 3.957 -9.277 -1.742 1.00 0.00 C ATOM 745 CG GLN A 51 4.563 -10.513 -2.388 1.00 0.00 C ATOM 746 CD GLN A 51 3.758 -11.768 -2.114 1.00 0.00 C ATOM 747 OE1 GLN A 51 3.347 -12.020 -0.981 1.00 0.00 O ATOM 748 NE2 GLN A 51 3.530 -12.564 -3.152 1.00 0.00 N ATOM 0 H GLN A 51 4.183 -8.047 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 51 2.063 -9.538 -2.726 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.720 -8.502 -1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.657 -9.520 -0.723 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.633 -10.358 -3.465 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.579 -10.650 -2.019 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.890 -12.316 -4.074 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.995 -13.424 -3.028 1.00 0.00 H new ATOM 757 N ALA A 52 2.571 -6.501 -1.539 1.00 0.00 N ATOM 758 CA ALA A 52 1.968 -5.440 -0.742 1.00 0.00 C ATOM 759 C ALA A 52 0.589 -5.068 -1.276 1.00 0.00 C ATOM 760 O ALA A 52 -0.411 -5.171 -0.565 1.00 0.00 O ATOM 761 CB ALA A 52 2.874 -4.218 -0.719 1.00 0.00 C ATOM 0 H ALA A 52 3.438 -6.237 -2.007 1.00 0.00 H new ATOM 0 HA ALA A 52 1.847 -5.809 0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.411 -3.433 -0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.836 -4.487 -0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.024 -3.857 -1.737 1.00 0.00 H new ATOM 767 N MET A 53 0.543 -4.635 -2.532 1.00 0.00 N ATOM 768 CA MET A 53 -0.715 -4.248 -3.160 1.00 0.00 C ATOM 769 C MET A 53 -1.821 -5.243 -2.821 1.00 0.00 C ATOM 770 O MET A 53 -2.942 -4.852 -2.497 1.00 0.00 O ATOM 771 CB MET A 53 -0.544 -4.156 -4.678 1.00 0.00 C ATOM 772 CG MET A 53 0.151 -2.884 -5.135 1.00 0.00 C ATOM 773 SD MET A 53 0.817 -3.018 -6.805 1.00 0.00 S ATOM 774 CE MET A 53 -0.692 -3.066 -7.769 1.00 0.00 C ATOM 0 H MET A 53 1.361 -4.543 -3.134 1.00 0.00 H new ATOM 0 HA MET A 53 -1.000 -3.270 -2.773 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.028 -5.017 -5.024 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.525 -4.214 -5.150 1.00 0.00 H new ATOM 0 HG2 MET A 53 -0.555 -2.054 -5.095 1.00 0.00 H new ATOM 0 HG3 MET A 53 0.960 -2.648 -4.443 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.521 -2.594 -8.737 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.995 -4.102 -7.919 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.480 -2.531 -7.239 1.00 0.00 H new ATOM 784 N SER A 54 -1.497 -6.530 -2.898 1.00 0.00 N ATOM 785 CA SER A 54 -2.465 -7.580 -2.603 1.00 0.00 C ATOM 786 C SER A 54 -2.851 -7.564 -1.127 1.00 0.00 C ATOM 787 O SER A 54 -4.027 -7.666 -0.781 1.00 0.00 O ATOM 788 CB SER A 54 -1.894 -8.949 -2.978 1.00 0.00 C ATOM 789 OG SER A 54 -2.924 -9.914 -3.106 1.00 0.00 O ATOM 0 H SER A 54 -0.572 -6.870 -3.162 1.00 0.00 H new ATOM 0 HA SER A 54 -3.360 -7.393 -3.197 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.344 -8.873 -3.916 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.183 -9.271 -2.217 1.00 0.00 H new ATOM 0 HG SER A 54 -2.533 -10.780 -3.348 1.00 0.00 H new ATOM 795 N ALA A 55 -1.850 -7.436 -0.262 1.00 0.00 N ATOM 796 CA ALA A 55 -2.084 -7.404 1.176 1.00 0.00 C ATOM 797 C ALA A 55 -2.984 -6.235 1.561 1.00 0.00 C ATOM 798 O ALA A 55 -3.791 -6.337 2.486 1.00 0.00 O ATOM 799 CB ALA A 55 -0.761 -7.323 1.924 1.00 0.00 C ATOM 0 H ALA A 55 -0.870 -7.353 -0.532 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.592 -8.327 1.457 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.951 -7.300 2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.152 -8.194 1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.231 -6.417 1.629 1.00 0.00 H new ATOM 805 N LEU A 56 -2.841 -5.124 0.847 1.00 0.00 N ATOM 806 CA LEU A 56 -3.641 -3.934 1.114 1.00 0.00 C ATOM 807 C LEU A 56 -5.021 -4.051 0.474 1.00 0.00 C ATOM 808 O LEU A 56 -6.026 -3.651 1.063 1.00 0.00 O ATOM 809 CB LEU A 56 -2.927 -2.687 0.590 1.00 0.00 C ATOM 810 CG LEU A 56 -1.442 -2.568 0.936 1.00 0.00 C ATOM 811 CD1 LEU A 56 -0.725 -1.694 -0.080 1.00 0.00 C ATOM 812 CD2 LEU A 56 -1.266 -2.010 2.341 1.00 0.00 C ATOM 0 H LEU A 56 -2.178 -5.022 0.078 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.767 -3.846 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.030 -2.663 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.442 -1.808 0.978 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.000 -3.564 0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.330 -1.621 0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.822 -2.135 -1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.168 -0.698 -0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.203 -1.932 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.724 -1.023 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.745 -2.675 3.059 1.00 0.00 H new ATOM 824 N LEU A 57 -5.062 -4.602 -0.734 1.00 0.00 N ATOM 825 CA LEU A 57 -6.319 -4.774 -1.454 1.00 0.00 C ATOM 826 C LEU A 57 -7.193 -5.827 -0.779 1.00 0.00 C ATOM 827 O LEU A 57 -8.418 -5.707 -0.756 1.00 0.00 O ATOM 828 CB LEU A 57 -6.048 -5.174 -2.905 1.00 0.00 C ATOM 829 CG LEU A 57 -5.872 -4.024 -3.897 1.00 0.00 C ATOM 830 CD1 LEU A 57 -4.991 -4.451 -5.060 1.00 0.00 C ATOM 831 CD2 LEU A 57 -7.225 -3.541 -4.399 1.00 0.00 C ATOM 0 H LEU A 57 -4.240 -4.937 -1.236 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.851 -3.823 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.148 -5.789 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.872 -5.800 -3.248 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.382 -3.198 -3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.878 -3.619 -5.755 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.011 -4.747 -4.685 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.452 -5.294 -5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.080 -2.722 -5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.742 -4.361 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.823 -3.193 -3.556 1.00 0.00 H new ATOM 843 N GLU A 58 -6.555 -6.856 -0.231 1.00 0.00 N ATOM 844 CA GLU A 58 -7.275 -7.928 0.446 1.00 0.00 C ATOM 845 C GLU A 58 -8.420 -7.369 1.286 1.00 0.00 C ATOM 846 O GLU A 58 -9.583 -7.717 1.083 1.00 0.00 O ATOM 847 CB GLU A 58 -6.323 -8.733 1.332 1.00 0.00 C ATOM 848 CG GLU A 58 -5.657 -9.894 0.613 1.00 0.00 C ATOM 849 CD GLU A 58 -5.338 -11.050 1.542 1.00 0.00 C ATOM 850 OE1 GLU A 58 -6.284 -11.733 1.986 1.00 0.00 O ATOM 851 OE2 GLU A 58 -4.142 -11.270 1.824 1.00 0.00 O ATOM 0 H GLU A 58 -5.541 -6.970 -0.243 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.694 -8.586 -0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.552 -8.068 1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.876 -9.117 2.190 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.310 -10.245 -0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.737 -9.546 0.143 1.00 0.00 H new ATOM 858 N LYS A 59 -8.081 -6.500 2.233 1.00 0.00 N ATOM 859 CA LYS A 59 -9.078 -5.891 3.105 1.00 0.00 C ATOM 860 C LYS A 59 -10.145 -5.168 2.290 1.00 0.00 C ATOM 861 O LYS A 59 -11.328 -5.506 2.357 1.00 0.00 O ATOM 862 CB LYS A 59 -8.409 -4.911 4.072 1.00 0.00 C ATOM 863 CG LYS A 59 -7.467 -5.578 5.059 1.00 0.00 C ATOM 864 CD LYS A 59 -6.843 -4.566 6.005 1.00 0.00 C ATOM 865 CE LYS A 59 -5.709 -3.803 5.337 1.00 0.00 C ATOM 866 NZ LYS A 59 -5.043 -2.862 6.280 1.00 0.00 N ATOM 0 H LYS A 59 -7.123 -6.202 2.416 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.558 -6.685 3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.854 -4.169 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -9.181 -4.375 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.012 -6.327 5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.681 -6.102 4.516 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.605 -3.864 6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.466 -5.078 6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.975 -4.509 4.950 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.098 -3.247 4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.276 -2.361 5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.738 -2.172 6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.649 -3.395 7.082 1.00 0.00 H new ATOM 880 N LYS A 60 -9.721 -4.173 1.518 1.00 0.00 N ATOM 881 CA LYS A 60 -10.640 -3.403 0.687 1.00 0.00 C ATOM 882 C LYS A 60 -10.320 -3.589 -0.793 1.00 0.00 C ATOM 883 O LYS A 60 -9.369 -3.003 -1.311 1.00 0.00 O ATOM 884 CB LYS A 60 -10.570 -1.919 1.053 1.00 0.00 C ATOM 885 CG LYS A 60 -10.940 -1.630 2.497 1.00 0.00 C ATOM 886 CD LYS A 60 -12.441 -1.469 2.667 1.00 0.00 C ATOM 887 CE LYS A 60 -12.824 -1.322 4.132 1.00 0.00 C ATOM 888 NZ LYS A 60 -14.300 -1.355 4.325 1.00 0.00 N ATOM 0 H LYS A 60 -8.746 -3.881 1.450 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.650 -3.768 0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.560 -1.555 0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.237 -1.360 0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.586 -2.441 3.133 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.436 -0.722 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.779 -0.594 2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -12.951 -2.333 2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.364 -2.124 4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.428 -0.383 4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.520 -1.252 5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.737 -0.575 3.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.675 -2.261 3.980 1.00 0.00 H new ATOM 902 N VAL A 61 -11.121 -4.407 -1.469 1.00 0.00 N ATOM 903 CA VAL A 61 -10.925 -4.667 -2.890 1.00 0.00 C ATOM 904 C VAL A 61 -11.440 -3.509 -3.737 1.00 0.00 C ATOM 905 O VAL A 61 -12.639 -3.402 -3.996 1.00 0.00 O ATOM 906 CB VAL A 61 -11.633 -5.963 -3.326 1.00 0.00 C ATOM 907 CG1 VAL A 61 -11.456 -6.192 -4.819 1.00 0.00 C ATOM 908 CG2 VAL A 61 -11.110 -7.150 -2.530 1.00 0.00 C ATOM 0 H VAL A 61 -11.912 -4.901 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.852 -4.778 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.699 -5.860 -3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -11.963 -7.112 -5.109 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -11.884 -5.354 -5.369 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.394 -6.274 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -11.621 -8.057 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -10.039 -7.258 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -11.295 -6.986 -1.468 1.00 0.00 H new ATOM 918 N ASP A 62 -10.527 -2.645 -4.166 1.00 0.00 N ATOM 919 CA ASP A 62 -10.889 -1.495 -4.987 1.00 0.00 C ATOM 920 C ASP A 62 -10.699 -1.803 -6.469 1.00 0.00 C ATOM 921 O ASP A 62 -10.049 -2.784 -6.831 1.00 0.00 O ATOM 922 CB ASP A 62 -10.050 -0.278 -4.595 1.00 0.00 C ATOM 923 CG ASP A 62 -10.734 1.031 -4.934 1.00 0.00 C ATOM 924 OD1 ASP A 62 -10.570 1.508 -6.077 1.00 0.00 O ATOM 925 OD2 ASP A 62 -11.436 1.579 -4.058 1.00 0.00 O ATOM 0 H ASP A 62 -9.531 -2.719 -3.959 1.00 0.00 H new ATOM 0 HA ASP A 62 -11.942 -1.273 -4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.845 -0.311 -3.525 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.088 -0.324 -5.105 1.00 0.00 H new ATOM 930 N VAL A 63 -11.272 -0.960 -7.321 1.00 0.00 N ATOM 931 CA VAL A 63 -11.167 -1.142 -8.764 1.00 0.00 C ATOM 932 C VAL A 63 -9.741 -0.898 -9.246 1.00 0.00 C ATOM 933 O VAL A 63 -9.392 0.211 -9.651 1.00 0.00 O ATOM 934 CB VAL A 63 -12.120 -0.198 -9.520 1.00 0.00 C ATOM 935 CG1 VAL A 63 -11.967 -0.376 -11.023 1.00 0.00 C ATOM 936 CG2 VAL A 63 -13.560 -0.440 -9.090 1.00 0.00 C ATOM 0 H VAL A 63 -11.814 -0.144 -7.037 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.448 -2.174 -8.974 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.858 0.831 -9.272 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -12.648 0.299 -11.541 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.941 -0.149 -11.314 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -12.202 -1.406 -11.293 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -14.220 0.235 -9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.836 -1.472 -9.308 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.656 -0.257 -8.020 1.00 0.00 H new ATOM 946 N ASP A 64 -8.920 -1.942 -9.199 1.00 0.00 N ATOM 947 CA ASP A 64 -7.531 -1.842 -9.633 1.00 0.00 C ATOM 948 C ASP A 64 -7.446 -1.353 -11.075 1.00 0.00 C ATOM 949 O ASP A 64 -7.778 -2.082 -12.010 1.00 0.00 O ATOM 950 CB ASP A 64 -6.834 -3.197 -9.498 1.00 0.00 C ATOM 951 CG ASP A 64 -5.332 -3.095 -9.676 1.00 0.00 C ATOM 952 OD1 ASP A 64 -4.893 -2.515 -10.690 1.00 0.00 O ATOM 953 OD2 ASP A 64 -4.595 -3.597 -8.801 1.00 0.00 O ATOM 0 H ASP A 64 -9.192 -2.867 -8.865 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.027 -1.118 -8.993 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.053 -3.619 -8.517 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.239 -3.886 -10.239 1.00 0.00 H new ATOM 958 N LYS A 65 -7.000 -0.114 -11.249 1.00 0.00 N ATOM 959 CA LYS A 65 -6.870 0.474 -12.577 1.00 0.00 C ATOM 960 C LYS A 65 -5.447 0.316 -13.105 1.00 0.00 C ATOM 961 O LYS A 65 -4.499 0.853 -12.531 1.00 0.00 O ATOM 962 CB LYS A 65 -7.250 1.956 -12.541 1.00 0.00 C ATOM 963 CG LYS A 65 -7.612 2.525 -13.902 1.00 0.00 C ATOM 964 CD LYS A 65 -6.420 2.518 -14.844 1.00 0.00 C ATOM 965 CE LYS A 65 -6.600 3.515 -15.978 1.00 0.00 C ATOM 966 NZ LYS A 65 -7.704 3.118 -16.895 1.00 0.00 N ATOM 0 H LYS A 65 -6.722 0.503 -10.486 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.549 -0.053 -13.248 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.094 2.090 -11.865 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.418 2.526 -12.128 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.424 1.942 -14.337 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.979 3.545 -13.785 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.514 2.758 -14.288 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.286 1.518 -15.256 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.808 4.502 -15.564 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.671 3.595 -16.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.795 3.823 -17.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.493 2.188 -17.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.596 3.066 -16.362 1.00 0.00 H new ATOM 980 N ARG A 66 -5.307 -0.421 -14.201 1.00 0.00 N ATOM 981 CA ARG A 66 -4.000 -0.649 -14.807 1.00 0.00 C ATOM 982 C ARG A 66 -3.530 0.589 -15.566 1.00 0.00 C ATOM 983 O ARG A 66 -4.308 1.229 -16.272 1.00 0.00 O ATOM 984 CB ARG A 66 -4.054 -1.850 -15.752 1.00 0.00 C ATOM 985 CG ARG A 66 -5.035 -1.679 -16.900 1.00 0.00 C ATOM 986 CD ARG A 66 -4.890 -2.790 -17.928 1.00 0.00 C ATOM 987 NE ARG A 66 -6.078 -2.918 -18.767 1.00 0.00 N ATOM 988 CZ ARG A 66 -6.440 -2.015 -19.671 1.00 0.00 C ATOM 989 NH1 ARG A 66 -5.709 -0.923 -19.852 1.00 0.00 N ATOM 990 NH2 ARG A 66 -7.535 -2.202 -20.397 1.00 0.00 N ATOM 0 H ARG A 66 -6.082 -0.871 -14.688 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.288 -0.857 -14.008 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.058 -2.026 -16.159 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.327 -2.738 -15.182 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.053 -1.672 -16.512 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -4.870 -0.714 -17.380 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.022 -2.591 -18.557 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.704 -3.735 -17.417 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.662 -3.746 -18.653 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.867 -0.775 -19.296 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.989 -0.231 -20.547 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.100 -3.040 -20.261 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.812 -1.507 -21.091 1.00 0.00 H new ATOM 1004 N GLY A 67 -2.250 0.919 -15.416 1.00 0.00 N ATOM 1005 CA GLY A 67 -1.699 2.078 -16.093 1.00 0.00 C ATOM 1006 C GLY A 67 -0.944 2.995 -15.151 1.00 0.00 C ATOM 1007 O GLY A 67 -1.294 4.166 -15.000 1.00 0.00 O ATOM 0 H GLY A 67 -1.586 0.404 -14.838 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.030 1.747 -16.887 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.506 2.635 -16.568 1.00 0.00 H new ATOM 1011 N LEU A 68 0.092 2.462 -14.513 1.00 0.00 N ATOM 1012 CA LEU A 68 0.898 3.240 -13.579 1.00 0.00 C ATOM 1013 C LEU A 68 1.218 4.617 -14.151 1.00 0.00 C ATOM 1014 O LEU A 68 1.868 4.733 -15.190 1.00 0.00 O ATOM 1015 CB LEU A 68 2.195 2.497 -13.252 1.00 0.00 C ATOM 1016 CG LEU A 68 2.108 1.454 -12.137 1.00 0.00 C ATOM 1017 CD1 LEU A 68 1.707 2.108 -10.824 1.00 0.00 C ATOM 1018 CD2 LEU A 68 1.123 0.356 -12.510 1.00 0.00 C ATOM 0 H LEU A 68 0.394 1.494 -14.625 1.00 0.00 H new ATOM 0 HA LEU A 68 0.321 3.373 -12.663 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.545 2.003 -14.158 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.952 3.232 -12.977 1.00 0.00 H new ATOM 0 HG LEU A 68 3.093 1.004 -12.009 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.650 1.350 -10.043 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.449 2.858 -10.549 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.734 2.586 -10.938 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.074 -0.377 -11.705 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.136 0.791 -12.666 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.453 -0.133 -13.427 1.00 0.00 H new ATOM 1030 N GLY A 69 0.759 5.659 -13.465 1.00 0.00 N ATOM 1031 CA GLY A 69 1.008 7.015 -13.919 1.00 0.00 C ATOM 1032 C GLY A 69 -0.196 7.626 -14.607 1.00 0.00 C ATOM 1033 O GLY A 69 -1.130 6.919 -14.986 1.00 0.00 O ATOM 0 H GLY A 69 0.219 5.588 -12.603 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.289 7.634 -13.067 1.00 0.00 H new ATOM 0 HA3 GLY A 69 1.854 7.015 -14.606 1.00 0.00 H new ATOM 1037 N VAL A 70 -0.177 8.946 -14.769 1.00 0.00 N ATOM 1038 CA VAL A 70 -1.276 9.653 -15.415 1.00 0.00 C ATOM 1039 C VAL A 70 -0.756 10.707 -16.386 1.00 0.00 C ATOM 1040 O VAL A 70 0.140 11.484 -16.056 1.00 0.00 O ATOM 1041 CB VAL A 70 -2.193 10.332 -14.380 1.00 0.00 C ATOM 1042 CG1 VAL A 70 -3.301 11.107 -15.075 1.00 0.00 C ATOM 1043 CG2 VAL A 70 -2.771 9.300 -13.423 1.00 0.00 C ATOM 0 H VAL A 70 0.588 9.547 -14.461 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.851 8.908 -15.965 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.598 11.038 -13.801 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.938 11.580 -14.328 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.863 11.873 -15.715 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.897 10.425 -15.681 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.416 9.797 -12.699 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.352 8.568 -13.984 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.959 8.795 -12.899 1.00 0.00 H new ATOM 1053 N THR A 71 -1.325 10.729 -17.587 1.00 0.00 N ATOM 1054 CA THR A 71 -0.919 11.687 -18.608 1.00 0.00 C ATOM 1055 C THR A 71 -2.106 12.512 -19.091 1.00 0.00 C ATOM 1056 O THR A 71 -2.959 12.016 -19.828 1.00 0.00 O ATOM 1057 CB THR A 71 -0.273 10.982 -19.815 1.00 0.00 C ATOM 1058 OG1 THR A 71 -1.160 9.984 -20.332 1.00 0.00 O ATOM 1059 CG2 THR A 71 1.049 10.339 -19.422 1.00 0.00 C ATOM 0 H THR A 71 -2.069 10.094 -17.877 1.00 0.00 H new ATOM 0 HA THR A 71 -0.185 12.348 -18.147 1.00 0.00 H new ATOM 0 HB THR A 71 -0.081 11.730 -20.584 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.078 10.326 -20.322 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.487 9.847 -20.291 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.732 11.106 -19.057 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.876 9.603 -18.637 1.00 0.00 H new ATOM 1067 N ASP A 72 -2.155 13.772 -18.673 1.00 0.00 N ATOM 1068 CA ASP A 72 -3.238 14.666 -19.065 1.00 0.00 C ATOM 1069 C ASP A 72 -2.688 15.997 -19.568 1.00 0.00 C ATOM 1070 O ASP A 72 -1.965 16.692 -18.853 1.00 0.00 O ATOM 1071 CB ASP A 72 -4.185 14.903 -17.888 1.00 0.00 C ATOM 1072 CG ASP A 72 -5.106 16.086 -18.114 1.00 0.00 C ATOM 1073 OD1 ASP A 72 -6.174 15.896 -18.732 1.00 0.00 O ATOM 1074 OD2 ASP A 72 -4.759 17.201 -17.672 1.00 0.00 O ATOM 0 H ASP A 72 -1.457 14.197 -18.063 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.792 14.192 -19.876 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.783 14.007 -17.721 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.601 15.069 -16.983 1.00 0.00 H new ATOM 1079 N HIS A 73 -3.035 16.347 -20.803 1.00 0.00 N ATOM 1080 CA HIS A 73 -2.575 17.595 -21.402 1.00 0.00 C ATOM 1081 C HIS A 73 -3.646 18.187 -22.313 1.00 0.00 C ATOM 1082 O HIS A 73 -4.380 17.458 -22.979 1.00 0.00 O ATOM 1083 CB HIS A 73 -1.287 17.362 -22.193 1.00 0.00 C ATOM 1084 CG HIS A 73 -0.773 18.592 -22.875 1.00 0.00 C ATOM 1085 ND1 HIS A 73 -0.678 19.816 -22.249 1.00 0.00 N ATOM 1086 CD2 HIS A 73 -0.323 18.781 -24.138 1.00 0.00 C ATOM 1087 CE1 HIS A 73 -0.193 20.706 -23.097 1.00 0.00 C ATOM 1088 NE2 HIS A 73 0.031 20.103 -24.250 1.00 0.00 N ATOM 0 H HIS A 73 -3.633 15.784 -21.408 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.375 18.303 -20.598 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.519 16.983 -21.518 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.464 16.589 -22.941 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.255 18.032 -24.913 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -0.011 21.749 -22.883 1.00 0.00 H new ATOM 0 HE2 HIS A 73 0.406 20.547 -25.088 1.00 0.00 H new ATOM 1097 N ASN A 74 -3.730 19.513 -22.336 1.00 0.00 N ATOM 1098 CA ASN A 74 -4.712 20.202 -23.165 1.00 0.00 C ATOM 1099 C ASN A 74 -4.526 19.848 -24.637 1.00 0.00 C ATOM 1100 O ASN A 74 -5.450 19.367 -25.292 1.00 0.00 O ATOM 1101 CB ASN A 74 -4.597 21.716 -22.975 1.00 0.00 C ATOM 1102 CG ASN A 74 -5.147 22.175 -21.638 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -5.013 21.482 -20.629 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -5.769 23.348 -21.625 1.00 0.00 N ATOM 0 H ASN A 74 -3.130 20.132 -21.790 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.705 19.877 -22.854 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.551 22.011 -23.055 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.133 22.222 -23.778 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.159 23.709 -20.754 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -5.857 23.888 -22.486 1.00 0.00 H new ATOM 1111 N GLY A 75 -3.324 20.088 -25.152 1.00 0.00 N ATOM 1112 CA GLY A 75 -3.039 19.788 -26.542 1.00 0.00 C ATOM 1113 C GLY A 75 -3.682 20.778 -27.493 1.00 0.00 C ATOM 1114 O GLY A 75 -4.904 20.810 -27.632 1.00 0.00 O ATOM 0 H GLY A 75 -2.542 20.485 -24.631 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.960 19.789 -26.697 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.394 18.784 -26.774 1.00 0.00 H new ATOM 1118 N MET A 76 -2.857 21.588 -28.148 1.00 0.00 N ATOM 1119 CA MET A 76 -3.354 22.585 -29.090 1.00 0.00 C ATOM 1120 C MET A 76 -2.419 22.713 -30.289 1.00 0.00 C ATOM 1121 O MET A 76 -1.264 22.292 -30.234 1.00 0.00 O ATOM 1122 CB MET A 76 -3.505 23.941 -28.399 1.00 0.00 C ATOM 1123 CG MET A 76 -2.194 24.508 -27.879 1.00 0.00 C ATOM 1124 SD MET A 76 -2.415 26.051 -26.973 1.00 0.00 S ATOM 1125 CE MET A 76 -0.764 26.304 -26.328 1.00 0.00 C ATOM 0 H MET A 76 -1.842 21.574 -28.044 1.00 0.00 H new ATOM 0 HA MET A 76 -4.331 22.257 -29.446 1.00 0.00 H new ATOM 0 HB2 MET A 76 -3.945 24.650 -29.100 1.00 0.00 H new ATOM 0 HB3 MET A 76 -4.203 23.840 -27.568 1.00 0.00 H new ATOM 0 HG2 MET A 76 -1.718 23.774 -27.228 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.518 24.677 -28.717 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.739 27.223 -25.742 1.00 0.00 H new ATOM 0 HE2 MET A 76 -0.488 25.462 -25.693 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.058 26.382 -27.155 1.00 0.00 H new ATOM 1135 N ALA A 77 -2.926 23.297 -31.369 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.135 23.482 -32.580 1.00 0.00 C ATOM 1137 C ALA A 77 -1.957 24.963 -32.898 1.00 0.00 C ATOM 1138 O ALA A 77 -0.848 25.418 -33.178 1.00 0.00 O ATOM 1139 CB ALA A 77 -2.788 22.764 -33.751 1.00 0.00 C ATOM 0 H ALA A 77 -3.881 23.650 -31.431 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.148 23.052 -32.409 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.187 22.910 -34.648 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.858 21.699 -33.531 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.787 23.168 -33.914 1.00 0.00 H new ATOM 1145 N ALA A 78 -3.055 25.709 -32.853 1.00 0.00 N ATOM 1146 CA ALA A 78 -3.020 27.139 -33.136 1.00 0.00 C ATOM 1147 C ALA A 78 -4.120 27.876 -32.379 1.00 0.00 C ATOM 1148 O ALA A 78 -5.045 27.259 -31.851 1.00 0.00 O ATOM 1149 CB ALA A 78 -3.150 27.385 -34.631 1.00 0.00 C ATOM 0 H ALA A 78 -3.981 25.347 -32.623 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.059 27.527 -32.798 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.122 28.457 -34.827 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.325 26.899 -35.153 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -4.096 26.976 -34.986 1.00 0.00 H new ATOM 1155 N LYS A 79 -4.012 29.199 -32.328 1.00 0.00 N ATOM 1156 CA LYS A 79 -4.998 30.021 -31.637 1.00 0.00 C ATOM 1157 C LYS A 79 -5.719 30.944 -32.614 1.00 0.00 C ATOM 1158 O LYS A 79 -5.151 31.362 -33.622 1.00 0.00 O ATOM 1159 CB LYS A 79 -4.322 30.850 -30.541 1.00 0.00 C ATOM 1160 CG LYS A 79 -3.389 31.921 -31.077 1.00 0.00 C ATOM 1161 CD LYS A 79 -2.824 32.780 -29.958 1.00 0.00 C ATOM 1162 CE LYS A 79 -1.714 32.059 -29.208 1.00 0.00 C ATOM 1163 NZ LYS A 79 -1.536 32.596 -27.831 1.00 0.00 N ATOM 0 H LYS A 79 -3.251 29.725 -32.757 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.733 29.357 -31.182 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.090 31.322 -29.929 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.759 30.183 -29.888 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.572 31.452 -31.625 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.926 32.552 -31.785 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.439 33.712 -30.372 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.621 33.045 -29.264 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.943 30.995 -29.156 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.779 32.158 -29.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.771 32.079 -27.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.293 33.606 -27.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.420 32.479 -27.296 1.00 0.00 H new ATOM 1177 N SER A 80 -6.974 31.258 -32.308 1.00 0.00 N ATOM 1178 CA SER A 80 -7.774 32.129 -33.161 1.00 0.00 C ATOM 1179 C SER A 80 -7.941 31.523 -34.551 1.00 0.00 C ATOM 1180 O SER A 80 -7.898 32.229 -35.558 1.00 0.00 O ATOM 1181 CB SER A 80 -7.124 33.509 -33.268 1.00 0.00 C ATOM 1182 OG SER A 80 -8.044 34.469 -33.759 1.00 0.00 O ATOM 0 H SER A 80 -7.459 30.922 -31.476 1.00 0.00 H new ATOM 0 HA SER A 80 -8.760 32.234 -32.709 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.758 33.819 -32.289 1.00 0.00 H new ATOM 0 HB3 SER A 80 -6.260 33.457 -33.930 1.00 0.00 H new ATOM 0 HG SER A 80 -8.425 34.154 -34.605 1.00 0.00 H new ATOM 1188 N GLY A 81 -8.132 30.208 -34.598 1.00 0.00 N ATOM 1189 CA GLY A 81 -8.303 29.528 -35.869 1.00 0.00 C ATOM 1190 C GLY A 81 -6.994 29.002 -36.425 1.00 0.00 C ATOM 1191 O GLY A 81 -5.936 29.134 -35.810 1.00 0.00 O ATOM 0 H GLY A 81 -8.171 29.602 -33.779 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.000 28.700 -35.744 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.750 30.215 -36.588 1.00 0.00 H new ATOM 1195 N PRO A 82 -7.058 28.388 -37.616 1.00 0.00 N ATOM 1196 CA PRO A 82 -5.878 27.826 -38.280 1.00 0.00 C ATOM 1197 C PRO A 82 -4.924 28.906 -38.778 1.00 0.00 C ATOM 1198 O PRO A 82 -3.790 28.618 -39.162 1.00 0.00 O ATOM 1199 CB PRO A 82 -6.471 27.051 -39.460 1.00 0.00 C ATOM 1200 CG PRO A 82 -7.773 27.720 -39.737 1.00 0.00 C ATOM 1201 CD PRO A 82 -8.286 28.195 -38.405 1.00 0.00 C ATOM 0 HA PRO A 82 -5.284 27.211 -37.604 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.814 27.089 -40.329 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.611 25.999 -39.212 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -7.644 28.555 -40.426 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -8.476 27.029 -40.202 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -8.853 29.121 -38.500 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -8.948 27.462 -37.945 1.00 0.00 H new ATOM 1209 N SER A 83 -5.390 30.151 -38.769 1.00 0.00 N ATOM 1210 CA SER A 83 -4.579 31.274 -39.223 1.00 0.00 C ATOM 1211 C SER A 83 -4.278 32.228 -38.071 1.00 0.00 C ATOM 1212 O SER A 83 -4.798 32.068 -36.967 1.00 0.00 O ATOM 1213 CB SER A 83 -5.293 32.025 -40.349 1.00 0.00 C ATOM 1214 OG SER A 83 -6.465 32.664 -39.872 1.00 0.00 O ATOM 0 H SER A 83 -6.325 30.407 -38.452 1.00 0.00 H new ATOM 0 HA SER A 83 -3.636 30.879 -39.601 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.620 32.767 -40.780 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.553 31.329 -41.147 1.00 0.00 H new ATOM 0 HG SER A 83 -6.902 33.138 -40.610 1.00 0.00 H new ATOM 1220 N SER A 84 -3.436 33.221 -38.338 1.00 0.00 N ATOM 1221 CA SER A 84 -3.062 34.200 -37.323 1.00 0.00 C ATOM 1222 C SER A 84 -4.287 34.671 -36.545 1.00 0.00 C ATOM 1223 O SER A 84 -4.252 34.789 -35.321 1.00 0.00 O ATOM 1224 CB SER A 84 -2.364 35.397 -37.971 1.00 0.00 C ATOM 1225 OG SER A 84 -0.968 35.179 -38.074 1.00 0.00 O ATOM 0 H SER A 84 -3.000 33.369 -39.248 1.00 0.00 H new ATOM 0 HA SER A 84 -2.374 33.720 -36.627 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.782 35.573 -38.962 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.553 36.295 -37.382 1.00 0.00 H new ATOM 0 HG SER A 84 -0.545 35.958 -38.493 1.00 0.00 H new ATOM 1231 N GLY A 85 -5.372 34.939 -37.267 1.00 0.00 N ATOM 1232 CA GLY A 85 -6.593 35.395 -36.629 1.00 0.00 C ATOM 1233 C GLY A 85 -7.053 36.741 -37.153 1.00 0.00 C ATOM 1234 O GLY A 85 -7.211 37.691 -36.387 1.00 0.00 O ATOM 0 H GLY A 85 -5.426 34.848 -38.281 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.380 34.658 -36.789 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.434 35.463 -35.553 1.00 0.00 H new TER 1238 GLY A 85