USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 548 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 11 TYR OH : rot 180:sc= 0.26 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 161:sc= 0.28 (180deg=0) 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 4:sc= -0.0706 USER MOD Single : A 12 MET CE :methyl -167:sc= -0.0101 (180deg=-0.227) USER MOD Single : A 13 THR OG1 : rot 149:sc= 1.5 USER MOD Single : A 14 CYS SG : rot -25:sc= 0.386 USER MOD Single : A 15 SER OG : rot 30:sc= 0.2 USER MOD Single : A 17 TYR OH : rot 81:sc= 0.118 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0112 X(o=-0.011,f=-0.21) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -46:sc= 0.351 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.24 K(o=-0.24,f=-1.1) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.393 X(o=-0.39,f=-0.39) USER MOD Single : A 67 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.77) USER MOD Single : A 71 SER OG : rot 180:sc= -0.13 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -54:sc= 0.176 USER MOD Single : A 79 SER OG : rot -9:sc= 0.494 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.803 -5.636 12.932 1.00 0.00 N ATOM 2 CA GLY A 1 19.560 -5.856 14.151 1.00 0.00 C ATOM 3 C GLY A 1 19.176 -4.890 15.254 1.00 0.00 C ATOM 4 O GLY A 1 18.835 -5.305 16.361 1.00 0.00 O ATOM 0 H1 GLY A 1 19.102 -6.321 12.209 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.789 -5.759 13.126 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.975 -4.670 12.586 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.400 -6.878 14.495 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.624 -5.755 13.938 1.00 0.00 H new ATOM 8 N SER A 2 19.231 -3.596 14.951 1.00 0.00 N ATOM 9 CA SER A 2 18.892 -2.568 15.928 1.00 0.00 C ATOM 10 C SER A 2 17.380 -2.380 16.016 1.00 0.00 C ATOM 11 O SER A 2 16.807 -2.368 17.105 1.00 0.00 O ATOM 12 CB SER A 2 19.561 -1.243 15.558 1.00 0.00 C ATOM 13 OG SER A 2 20.926 -1.237 15.939 1.00 0.00 O ATOM 0 H SER A 2 19.507 -3.236 14.038 1.00 0.00 H new ATOM 0 HA SER A 2 19.258 -2.892 16.902 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.479 -1.078 14.484 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.040 -0.420 16.047 1.00 0.00 H new ATOM 0 HG SER A 2 21.331 -0.380 15.690 1.00 0.00 H new ATOM 19 N SER A 3 16.740 -2.234 14.860 1.00 0.00 N ATOM 20 CA SER A 3 15.296 -2.043 14.805 1.00 0.00 C ATOM 21 C SER A 3 14.566 -3.236 15.415 1.00 0.00 C ATOM 22 O SER A 3 14.172 -4.163 14.710 1.00 0.00 O ATOM 23 CB SER A 3 14.842 -1.839 13.358 1.00 0.00 C ATOM 24 OG SER A 3 15.468 -0.705 12.783 1.00 0.00 O ATOM 0 H SER A 3 17.199 -2.244 13.949 1.00 0.00 H new ATOM 0 HA SER A 3 15.050 -1.153 15.385 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.079 -2.726 12.771 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.759 -1.716 13.327 1.00 0.00 H new ATOM 0 HG SER A 3 15.163 -0.597 11.858 1.00 0.00 H new ATOM 30 N GLY A 4 14.391 -3.204 16.733 1.00 0.00 N ATOM 31 CA GLY A 4 13.710 -4.287 17.417 1.00 0.00 C ATOM 32 C GLY A 4 12.207 -4.091 17.461 1.00 0.00 C ATOM 33 O GLY A 4 11.448 -4.963 17.038 1.00 0.00 O ATOM 0 H GLY A 4 14.709 -2.447 17.339 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.936 -5.228 16.916 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.093 -4.368 18.434 1.00 0.00 H new ATOM 37 N SER A 5 11.776 -2.944 17.976 1.00 0.00 N ATOM 38 CA SER A 5 10.354 -2.639 18.079 1.00 0.00 C ATOM 39 C SER A 5 9.826 -2.065 16.769 1.00 0.00 C ATOM 40 O SER A 5 8.966 -1.184 16.766 1.00 0.00 O ATOM 41 CB SER A 5 10.104 -1.651 19.220 1.00 0.00 C ATOM 42 OG SER A 5 10.649 -2.129 20.438 1.00 0.00 O ATOM 0 H SER A 5 12.391 -2.211 18.328 1.00 0.00 H new ATOM 0 HA SER A 5 9.823 -3.567 18.289 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.547 -0.686 18.973 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.032 -1.489 19.336 1.00 0.00 H new ATOM 0 HG SER A 5 10.477 -1.479 21.151 1.00 0.00 H new ATOM 48 N SER A 6 10.347 -2.571 15.655 1.00 0.00 N ATOM 49 CA SER A 6 9.931 -2.106 14.337 1.00 0.00 C ATOM 50 C SER A 6 8.908 -3.058 13.723 1.00 0.00 C ATOM 51 O SER A 6 9.249 -4.155 13.285 1.00 0.00 O ATOM 52 CB SER A 6 11.143 -1.977 13.413 1.00 0.00 C ATOM 53 OG SER A 6 10.771 -1.442 12.155 1.00 0.00 O ATOM 0 H SER A 6 11.058 -3.303 15.639 1.00 0.00 H new ATOM 0 HA SER A 6 9.466 -1.127 14.454 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.892 -1.335 13.878 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.604 -2.955 13.274 1.00 0.00 H new ATOM 0 HG SER A 6 11.564 -1.368 11.584 1.00 0.00 H new ATOM 59 N GLY A 7 7.650 -2.627 13.696 1.00 0.00 N ATOM 60 CA GLY A 7 6.596 -3.452 13.135 1.00 0.00 C ATOM 61 C GLY A 7 5.874 -2.770 11.990 1.00 0.00 C ATOM 62 O GLY A 7 4.722 -2.359 12.131 1.00 0.00 O ATOM 0 H GLY A 7 7.343 -1.722 14.052 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.022 -4.392 12.784 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.878 -3.700 13.917 1.00 0.00 H new ATOM 66 N ALA A 8 6.552 -2.646 10.854 1.00 0.00 N ATOM 67 CA ALA A 8 5.967 -2.009 9.681 1.00 0.00 C ATOM 68 C ALA A 8 4.888 -2.888 9.059 1.00 0.00 C ATOM 69 O ALA A 8 4.543 -3.941 9.597 1.00 0.00 O ATOM 70 CB ALA A 8 7.049 -1.695 8.657 1.00 0.00 C ATOM 0 H ALA A 8 7.507 -2.978 10.721 1.00 0.00 H new ATOM 0 HA ALA A 8 5.500 -1.077 9.999 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.598 -1.219 7.786 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.784 -1.022 9.099 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.541 -2.619 8.352 1.00 0.00 H new ATOM 76 N THR A 9 4.355 -2.450 7.923 1.00 0.00 N ATOM 77 CA THR A 9 3.313 -3.196 7.229 1.00 0.00 C ATOM 78 C THR A 9 3.713 -3.488 5.787 1.00 0.00 C ATOM 79 O THR A 9 4.059 -2.579 5.033 1.00 0.00 O ATOM 80 CB THR A 9 1.976 -2.430 7.234 1.00 0.00 C ATOM 81 OG1 THR A 9 1.618 -2.079 8.575 1.00 0.00 O ATOM 82 CG2 THR A 9 0.870 -3.269 6.612 1.00 0.00 C ATOM 0 H THR A 9 4.628 -1.581 7.464 1.00 0.00 H new ATOM 0 HA THR A 9 3.187 -4.136 7.765 1.00 0.00 H new ATOM 0 HB THR A 9 2.100 -1.523 6.642 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.768 -1.591 8.570 1.00 0.00 H new ATOM 0 HG21 THR A 9 -0.064 -2.708 6.627 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.132 -3.511 5.582 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.749 -4.191 7.181 1.00 0.00 H new ATOM 90 N SER A 10 3.662 -4.761 5.410 1.00 0.00 N ATOM 91 CA SER A 10 4.022 -5.173 4.059 1.00 0.00 C ATOM 92 C SER A 10 2.784 -5.264 3.171 1.00 0.00 C ATOM 93 O SER A 10 1.747 -5.783 3.583 1.00 0.00 O ATOM 94 CB SER A 10 4.742 -6.522 4.089 1.00 0.00 C ATOM 95 OG SER A 10 5.597 -6.669 2.968 1.00 0.00 O ATOM 0 H SER A 10 3.375 -5.525 6.021 1.00 0.00 H new ATOM 0 HA SER A 10 4.692 -4.421 3.643 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.323 -6.607 5.007 1.00 0.00 H new ATOM 0 HB3 SER A 10 4.009 -7.329 4.100 1.00 0.00 H new ATOM 0 HG SER A 10 5.592 -5.842 2.442 1.00 0.00 H new ATOM 101 N TYR A 11 2.902 -4.755 1.949 1.00 0.00 N ATOM 102 CA TYR A 11 1.794 -4.776 1.002 1.00 0.00 C ATOM 103 C TYR A 11 2.157 -5.576 -0.245 1.00 0.00 C ATOM 104 O TYR A 11 3.323 -5.902 -0.469 1.00 0.00 O ATOM 105 CB TYR A 11 1.402 -3.350 0.611 1.00 0.00 C ATOM 106 CG TYR A 11 0.871 -2.530 1.765 1.00 0.00 C ATOM 107 CD1 TYR A 11 1.694 -2.173 2.826 1.00 0.00 C ATOM 108 CD2 TYR A 11 -0.453 -2.111 1.794 1.00 0.00 C ATOM 109 CE1 TYR A 11 1.213 -1.424 3.883 1.00 0.00 C ATOM 110 CE2 TYR A 11 -0.943 -1.361 2.846 1.00 0.00 C ATOM 111 CZ TYR A 11 -0.106 -1.021 3.888 1.00 0.00 C ATOM 112 OH TYR A 11 -0.589 -0.274 4.938 1.00 0.00 O ATOM 0 H TYR A 11 3.754 -4.323 1.592 1.00 0.00 H new ATOM 0 HA TYR A 11 0.945 -5.259 1.486 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.271 -2.846 0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.645 -3.392 -0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.728 -2.486 2.825 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.111 -2.376 0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.866 -1.156 4.700 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.975 -1.043 2.852 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.536 -0.072 4.787 1.00 0.00 H new ATOM 122 N MET A 12 1.150 -5.888 -1.054 1.00 0.00 N ATOM 123 CA MET A 12 1.363 -6.648 -2.281 1.00 0.00 C ATOM 124 C MET A 12 1.100 -5.783 -3.509 1.00 0.00 C ATOM 125 O MET A 12 0.062 -5.126 -3.608 1.00 0.00 O ATOM 126 CB MET A 12 0.457 -7.880 -2.306 1.00 0.00 C ATOM 127 CG MET A 12 0.905 -8.984 -1.362 1.00 0.00 C ATOM 128 SD MET A 12 2.572 -9.570 -1.721 1.00 0.00 S ATOM 129 CE MET A 12 2.313 -10.386 -3.295 1.00 0.00 C ATOM 0 H MET A 12 0.179 -5.627 -0.883 1.00 0.00 H new ATOM 0 HA MET A 12 2.404 -6.971 -2.303 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.558 -7.580 -2.045 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.422 -8.274 -3.322 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.866 -8.618 -0.336 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.208 -9.819 -1.429 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.185 -10.993 -3.538 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.432 -11.025 -3.233 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.164 -9.637 -4.073 1.00 0.00 H new ATOM 139 N THR A 13 2.045 -5.785 -4.443 1.00 0.00 N ATOM 140 CA THR A 13 1.916 -5.000 -5.664 1.00 0.00 C ATOM 141 C THR A 13 1.024 -5.704 -6.679 1.00 0.00 C ATOM 142 O THR A 13 1.394 -6.741 -7.231 1.00 0.00 O ATOM 143 CB THR A 13 3.289 -4.728 -6.306 1.00 0.00 C ATOM 144 OG1 THR A 13 3.787 -5.921 -6.921 1.00 0.00 O ATOM 145 CG2 THR A 13 4.284 -4.234 -5.266 1.00 0.00 C ATOM 0 H THR A 13 2.909 -6.322 -4.377 1.00 0.00 H new ATOM 0 HA THR A 13 1.461 -4.051 -5.381 1.00 0.00 H new ATOM 0 HB THR A 13 3.165 -3.954 -7.063 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.336 -5.684 -7.697 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.247 -4.049 -5.743 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.916 -3.310 -4.820 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.403 -4.989 -4.489 1.00 0.00 H new ATOM 153 N CYS A 14 -0.152 -5.136 -6.922 1.00 0.00 N ATOM 154 CA CYS A 14 -1.098 -5.711 -7.872 1.00 0.00 C ATOM 155 C CYS A 14 -0.806 -5.228 -9.289 1.00 0.00 C ATOM 156 O CYS A 14 -1.368 -5.739 -10.258 1.00 0.00 O ATOM 157 CB CYS A 14 -2.531 -5.346 -7.481 1.00 0.00 C ATOM 158 SG CYS A 14 -3.792 -6.019 -8.588 1.00 0.00 S ATOM 0 H CYS A 14 -0.473 -4.278 -6.474 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.987 -6.795 -7.847 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.723 -5.704 -6.469 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.625 -4.260 -7.458 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.274 -6.222 -9.763 1.00 0.00 H new ATOM 164 N SER A 15 0.074 -4.239 -9.402 1.00 0.00 N ATOM 165 CA SER A 15 0.437 -3.683 -10.701 1.00 0.00 C ATOM 166 C SER A 15 1.854 -3.120 -10.674 1.00 0.00 C ATOM 167 O SER A 15 2.316 -2.619 -9.649 1.00 0.00 O ATOM 168 CB SER A 15 -0.552 -2.587 -11.104 1.00 0.00 C ATOM 169 OG SER A 15 -1.647 -3.128 -11.823 1.00 0.00 O ATOM 0 H SER A 15 0.549 -3.806 -8.610 1.00 0.00 H new ATOM 0 HA SER A 15 0.398 -4.486 -11.437 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.915 -2.075 -10.213 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.044 -1.841 -11.715 1.00 0.00 H new ATOM 0 HG SER A 15 -1.817 -4.044 -11.519 1.00 0.00 H new ATOM 175 N ALA A 16 2.540 -3.205 -11.809 1.00 0.00 N ATOM 176 CA ALA A 16 3.904 -2.703 -11.918 1.00 0.00 C ATOM 177 C ALA A 16 3.927 -1.178 -11.938 1.00 0.00 C ATOM 178 O ALA A 16 3.187 -0.546 -12.692 1.00 0.00 O ATOM 179 CB ALA A 16 4.573 -3.259 -13.166 1.00 0.00 C ATOM 0 H ALA A 16 2.173 -3.617 -12.667 1.00 0.00 H new ATOM 0 HA ALA A 16 4.459 -3.038 -11.042 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.591 -2.876 -13.235 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.598 -4.347 -13.111 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.010 -2.953 -14.048 1.00 0.00 H new ATOM 185 N TYR A 17 4.781 -0.594 -11.105 1.00 0.00 N ATOM 186 CA TYR A 17 4.898 0.857 -11.025 1.00 0.00 C ATOM 187 C TYR A 17 6.145 1.344 -11.757 1.00 0.00 C ATOM 188 O TYR A 17 7.184 0.684 -11.742 1.00 0.00 O ATOM 189 CB TYR A 17 4.944 1.307 -9.564 1.00 0.00 C ATOM 190 CG TYR A 17 5.589 2.660 -9.366 1.00 0.00 C ATOM 191 CD1 TYR A 17 4.846 3.828 -9.478 1.00 0.00 C ATOM 192 CD2 TYR A 17 6.941 2.770 -9.068 1.00 0.00 C ATOM 193 CE1 TYR A 17 5.431 5.067 -9.299 1.00 0.00 C ATOM 194 CE2 TYR A 17 7.535 4.004 -8.885 1.00 0.00 C ATOM 195 CZ TYR A 17 6.776 5.149 -9.002 1.00 0.00 C ATOM 196 OH TYR A 17 7.363 6.381 -8.822 1.00 0.00 O ATOM 0 H TYR A 17 5.402 -1.103 -10.476 1.00 0.00 H new ATOM 0 HA TYR A 17 4.022 1.293 -11.505 1.00 0.00 H new ATOM 0 HB2 TYR A 17 3.928 1.337 -9.170 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.490 0.565 -8.981 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.793 3.767 -9.709 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.539 1.875 -8.978 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.839 5.966 -9.391 1.00 0.00 H new ATOM 0 HE2 TYR A 17 8.587 4.071 -8.652 1.00 0.00 H new ATOM 0 HH TYR A 17 7.186 6.698 -7.912 1.00 0.00 H new ATOM 206 N GLN A 18 6.033 2.504 -12.397 1.00 0.00 N ATOM 207 CA GLN A 18 7.151 3.080 -13.135 1.00 0.00 C ATOM 208 C GLN A 18 7.731 4.281 -12.395 1.00 0.00 C ATOM 209 O GLN A 18 7.033 5.263 -12.139 1.00 0.00 O ATOM 210 CB GLN A 18 6.702 3.498 -14.537 1.00 0.00 C ATOM 211 CG GLN A 18 7.818 3.459 -15.569 1.00 0.00 C ATOM 212 CD GLN A 18 7.629 4.482 -16.671 1.00 0.00 C ATOM 213 OE1 GLN A 18 6.651 4.436 -17.417 1.00 0.00 O ATOM 214 NE2 GLN A 18 8.568 5.415 -16.779 1.00 0.00 N ATOM 0 H GLN A 18 5.180 3.063 -12.419 1.00 0.00 H new ATOM 0 HA GLN A 18 7.927 2.320 -13.221 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.895 2.842 -14.862 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.294 4.508 -14.493 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.772 3.637 -15.073 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.867 2.463 -16.008 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.362 5.416 -16.139 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.495 6.131 -17.502 1.00 0.00 H new ATOM 223 N LYS A 19 9.012 4.197 -12.053 1.00 0.00 N ATOM 224 CA LYS A 19 9.688 5.276 -11.343 1.00 0.00 C ATOM 225 C LYS A 19 10.081 6.395 -12.301 1.00 0.00 C ATOM 226 O LYS A 19 10.671 6.147 -13.353 1.00 0.00 O ATOM 227 CB LYS A 19 10.930 4.743 -10.626 1.00 0.00 C ATOM 228 CG LYS A 19 11.955 4.127 -11.563 1.00 0.00 C ATOM 229 CD LYS A 19 12.961 5.159 -12.046 1.00 0.00 C ATOM 230 CE LYS A 19 14.156 5.254 -11.109 1.00 0.00 C ATOM 231 NZ LYS A 19 15.244 4.317 -11.503 1.00 0.00 N ATOM 0 H LYS A 19 9.604 3.391 -12.256 1.00 0.00 H new ATOM 0 HA LYS A 19 8.996 5.681 -10.604 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.398 5.558 -10.074 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.624 3.996 -9.894 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.478 3.319 -11.051 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.447 3.685 -12.420 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.302 4.895 -13.047 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.477 6.133 -12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.538 6.275 -11.109 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.837 5.033 -10.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.040 4.411 -10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.887 3.340 -11.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.566 4.544 -12.466 1.00 0.00 H new ATOM 245 N VAL A 20 9.752 7.629 -11.930 1.00 0.00 N ATOM 246 CA VAL A 20 10.073 8.787 -12.756 1.00 0.00 C ATOM 247 C VAL A 20 11.323 9.495 -12.247 1.00 0.00 C ATOM 248 O VAL A 20 12.042 10.135 -13.014 1.00 0.00 O ATOM 249 CB VAL A 20 8.906 9.791 -12.793 1.00 0.00 C ATOM 250 CG1 VAL A 20 8.665 10.380 -11.412 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.181 10.889 -13.810 1.00 0.00 C ATOM 0 H VAL A 20 9.263 7.852 -11.063 1.00 0.00 H new ATOM 0 HA VAL A 20 10.255 8.416 -13.765 1.00 0.00 H new ATOM 0 HB VAL A 20 8.003 9.262 -13.098 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.837 11.087 -11.458 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.421 9.580 -10.713 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.564 10.895 -11.074 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.346 11.590 -13.823 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.094 11.417 -13.537 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.300 10.447 -14.799 1.00 0.00 H new ATOM 261 N GLN A 21 11.576 9.375 -10.947 1.00 0.00 N ATOM 262 CA GLN A 21 12.740 10.005 -10.335 1.00 0.00 C ATOM 263 C GLN A 21 13.769 8.959 -9.919 1.00 0.00 C ATOM 264 O GLN A 21 13.483 7.762 -9.909 1.00 0.00 O ATOM 265 CB GLN A 21 12.318 10.834 -9.121 1.00 0.00 C ATOM 266 CG GLN A 21 11.607 12.127 -9.484 1.00 0.00 C ATOM 267 CD GLN A 21 12.564 13.288 -9.670 1.00 0.00 C ATOM 268 OE1 GLN A 21 13.402 13.560 -8.810 1.00 0.00 O ATOM 269 NE2 GLN A 21 12.445 13.979 -10.798 1.00 0.00 N ATOM 0 H GLN A 21 10.991 8.848 -10.298 1.00 0.00 H new ATOM 0 HA GLN A 21 13.197 10.663 -11.074 1.00 0.00 H new ATOM 0 HB2 GLN A 21 11.662 10.233 -8.491 1.00 0.00 H new ATOM 0 HB3 GLN A 21 13.201 11.069 -8.527 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.039 11.979 -10.402 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.890 12.374 -8.702 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.736 13.718 -11.483 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.063 14.770 -10.979 1.00 0.00 H new ATOM 278 N ASP A 22 14.967 9.419 -9.576 1.00 0.00 N ATOM 279 CA ASP A 22 16.039 8.523 -9.158 1.00 0.00 C ATOM 280 C ASP A 22 15.781 7.984 -7.755 1.00 0.00 C ATOM 281 O ASP A 22 16.153 6.855 -7.434 1.00 0.00 O ATOM 282 CB ASP A 22 17.385 9.249 -9.199 1.00 0.00 C ATOM 283 CG ASP A 22 17.699 9.810 -10.572 1.00 0.00 C ATOM 284 OD1 ASP A 22 18.319 9.088 -11.380 1.00 0.00 O ATOM 285 OD2 ASP A 22 17.324 10.971 -10.839 1.00 0.00 O ATOM 0 H ASP A 22 15.220 10.407 -9.579 1.00 0.00 H new ATOM 0 HA ASP A 22 16.067 7.682 -9.851 1.00 0.00 H new ATOM 0 HB2 ASP A 22 17.379 10.060 -8.471 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.175 8.560 -8.902 1.00 0.00 H new ATOM 290 N SER A 23 15.143 8.799 -6.921 1.00 0.00 N ATOM 291 CA SER A 23 14.839 8.406 -5.550 1.00 0.00 C ATOM 292 C SER A 23 13.846 7.248 -5.525 1.00 0.00 C ATOM 293 O SER A 23 13.973 6.326 -4.720 1.00 0.00 O ATOM 294 CB SER A 23 14.274 9.595 -4.770 1.00 0.00 C ATOM 295 OG SER A 23 15.266 10.585 -4.560 1.00 0.00 O ATOM 0 H SER A 23 14.827 9.736 -7.171 1.00 0.00 H new ATOM 0 HA SER A 23 15.765 8.078 -5.078 1.00 0.00 H new ATOM 0 HB2 SER A 23 13.435 10.026 -5.316 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.888 9.253 -3.810 1.00 0.00 H new ATOM 0 HG SER A 23 14.879 11.335 -4.061 1.00 0.00 H new ATOM 301 N GLU A 24 12.858 7.304 -6.412 1.00 0.00 N ATOM 302 CA GLU A 24 11.842 6.261 -6.490 1.00 0.00 C ATOM 303 C GLU A 24 12.404 5.003 -7.147 1.00 0.00 C ATOM 304 O GLU A 24 13.501 5.019 -7.705 1.00 0.00 O ATOM 305 CB GLU A 24 10.627 6.759 -7.275 1.00 0.00 C ATOM 306 CG GLU A 24 9.837 7.838 -6.554 1.00 0.00 C ATOM 307 CD GLU A 24 9.012 8.688 -7.500 1.00 0.00 C ATOM 308 OE1 GLU A 24 9.608 9.348 -8.377 1.00 0.00 O ATOM 309 OE2 GLU A 24 7.771 8.694 -7.364 1.00 0.00 O ATOM 0 H GLU A 24 12.739 8.060 -7.086 1.00 0.00 H new ATOM 0 HA GLU A 24 11.533 6.014 -5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.961 7.147 -8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.968 5.916 -7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.178 7.372 -5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.525 8.479 -6.002 1.00 0.00 H new ATOM 316 N ILE A 25 11.645 3.915 -7.074 1.00 0.00 N ATOM 317 CA ILE A 25 12.066 2.649 -7.660 1.00 0.00 C ATOM 318 C ILE A 25 10.889 1.919 -8.297 1.00 0.00 C ATOM 319 O ILE A 25 9.784 1.909 -7.754 1.00 0.00 O ATOM 320 CB ILE A 25 12.717 1.731 -6.609 1.00 0.00 C ATOM 321 CG1 ILE A 25 12.653 0.272 -7.066 1.00 0.00 C ATOM 322 CG2 ILE A 25 12.033 1.900 -5.261 1.00 0.00 C ATOM 323 CD1 ILE A 25 11.340 -0.406 -6.743 1.00 0.00 C ATOM 0 H ILE A 25 10.735 3.885 -6.615 1.00 0.00 H new ATOM 0 HA ILE A 25 12.802 2.887 -8.429 1.00 0.00 H new ATOM 0 HB ILE A 25 13.764 2.013 -6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.819 0.229 -8.142 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.465 -0.283 -6.596 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.505 1.244 -4.529 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.125 2.936 -4.933 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.978 1.641 -5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.366 -1.437 -7.096 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.181 -0.395 -5.665 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.525 0.125 -7.235 1.00 0.00 H new ATOM 335 N SER A 26 11.133 1.308 -9.452 1.00 0.00 N ATOM 336 CA SER A 26 10.092 0.577 -10.165 1.00 0.00 C ATOM 337 C SER A 26 10.115 -0.902 -9.792 1.00 0.00 C ATOM 338 O SER A 26 11.173 -1.532 -9.767 1.00 0.00 O ATOM 339 CB SER A 26 10.272 0.736 -11.676 1.00 0.00 C ATOM 340 OG SER A 26 11.312 -0.098 -12.157 1.00 0.00 O ATOM 0 H SER A 26 12.042 1.305 -9.914 1.00 0.00 H new ATOM 0 HA SER A 26 9.127 0.992 -9.875 1.00 0.00 H new ATOM 0 HB2 SER A 26 9.340 0.490 -12.184 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.498 1.776 -11.911 1.00 0.00 H new ATOM 0 HG SER A 26 11.406 0.021 -13.125 1.00 0.00 H new ATOM 346 N PHE A 27 8.940 -1.451 -9.502 1.00 0.00 N ATOM 347 CA PHE A 27 8.823 -2.856 -9.129 1.00 0.00 C ATOM 348 C PHE A 27 7.818 -3.575 -10.024 1.00 0.00 C ATOM 349 O PHE A 27 6.893 -2.973 -10.570 1.00 0.00 O ATOM 350 CB PHE A 27 8.400 -2.983 -7.664 1.00 0.00 C ATOM 351 CG PHE A 27 7.338 -2.001 -7.259 1.00 0.00 C ATOM 352 CD1 PHE A 27 7.682 -0.743 -6.790 1.00 0.00 C ATOM 353 CD2 PHE A 27 5.997 -2.335 -7.349 1.00 0.00 C ATOM 354 CE1 PHE A 27 6.707 0.162 -6.416 1.00 0.00 C ATOM 355 CE2 PHE A 27 5.017 -1.434 -6.977 1.00 0.00 C ATOM 356 CZ PHE A 27 5.373 -0.183 -6.511 1.00 0.00 C ATOM 0 H PHE A 27 8.055 -0.944 -9.518 1.00 0.00 H new ATOM 0 HA PHE A 27 9.799 -3.323 -9.260 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.035 -3.995 -7.486 1.00 0.00 H new ATOM 0 HB3 PHE A 27 9.274 -2.843 -7.028 1.00 0.00 H new ATOM 0 HD1 PHE A 27 8.724 -0.467 -6.716 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.714 -3.311 -7.714 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.988 1.138 -6.050 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.975 -1.707 -7.050 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.609 0.524 -6.222 1.00 0.00 H new ATOM 366 N PRO A 28 8.003 -4.894 -10.180 1.00 0.00 N ATOM 367 CA PRO A 28 7.124 -5.725 -11.008 1.00 0.00 C ATOM 368 C PRO A 28 5.738 -5.892 -10.394 1.00 0.00 C ATOM 369 O PRO A 28 5.508 -5.516 -9.245 1.00 0.00 O ATOM 370 CB PRO A 28 7.852 -7.070 -11.060 1.00 0.00 C ATOM 371 CG PRO A 28 8.680 -7.101 -9.822 1.00 0.00 C ATOM 372 CD PRO A 28 9.085 -5.677 -9.559 1.00 0.00 C ATOM 0 HA PRO A 28 6.949 -5.282 -11.989 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.147 -7.901 -11.086 1.00 0.00 H new ATOM 0 HB3 PRO A 28 8.472 -7.150 -11.953 1.00 0.00 H new ATOM 0 HG2 PRO A 28 8.114 -7.507 -8.984 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.555 -7.738 -9.954 1.00 0.00 H new ATOM 0 HD2 PRO A 28 9.167 -5.473 -8.491 1.00 0.00 H new ATOM 0 HD3 PRO A 28 10.054 -5.446 -10.003 1.00 0.00 H new ATOM 380 N ALA A 29 4.818 -6.459 -11.168 1.00 0.00 N ATOM 381 CA ALA A 29 3.455 -6.679 -10.699 1.00 0.00 C ATOM 382 C ALA A 29 3.287 -8.088 -10.140 1.00 0.00 C ATOM 383 O ALA A 29 3.150 -9.052 -10.892 1.00 0.00 O ATOM 384 CB ALA A 29 2.463 -6.434 -11.826 1.00 0.00 C ATOM 0 H ALA A 29 4.992 -6.774 -12.122 1.00 0.00 H new ATOM 0 HA ALA A 29 3.256 -5.971 -9.894 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.450 -6.602 -11.462 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.557 -5.406 -12.176 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.671 -7.118 -12.649 1.00 0.00 H new ATOM 390 N GLY A 30 3.300 -8.200 -8.816 1.00 0.00 N ATOM 391 CA GLY A 30 3.149 -9.496 -8.180 1.00 0.00 C ATOM 392 C GLY A 30 4.234 -9.769 -7.156 1.00 0.00 C ATOM 393 O GLY A 30 4.629 -10.917 -6.951 1.00 0.00 O ATOM 0 H GLY A 30 3.412 -7.417 -8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.174 -9.548 -7.695 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.168 -10.276 -8.942 1.00 0.00 H new ATOM 397 N VAL A 31 4.718 -8.712 -6.513 1.00 0.00 N ATOM 398 CA VAL A 31 5.764 -8.844 -5.506 1.00 0.00 C ATOM 399 C VAL A 31 5.358 -8.169 -4.200 1.00 0.00 C ATOM 400 O VAL A 31 4.390 -7.411 -4.157 1.00 0.00 O ATOM 401 CB VAL A 31 7.093 -8.235 -5.994 1.00 0.00 C ATOM 402 CG1 VAL A 31 7.681 -9.072 -7.120 1.00 0.00 C ATOM 403 CG2 VAL A 31 6.887 -6.796 -6.439 1.00 0.00 C ATOM 0 H VAL A 31 4.403 -7.755 -6.671 1.00 0.00 H new ATOM 0 HA VAL A 31 5.903 -9.911 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 31 7.801 -8.236 -5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.619 -8.627 -7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.866 -10.085 -6.762 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.980 -9.105 -7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.835 -6.381 -6.780 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.164 -6.767 -7.254 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.514 -6.206 -5.602 1.00 0.00 H new ATOM 413 N GLU A 32 6.106 -8.449 -3.138 1.00 0.00 N ATOM 414 CA GLU A 32 5.823 -7.869 -1.830 1.00 0.00 C ATOM 415 C GLU A 32 6.822 -6.764 -1.498 1.00 0.00 C ATOM 416 O GLU A 32 8.011 -6.875 -1.799 1.00 0.00 O ATOM 417 CB GLU A 32 5.863 -8.950 -0.748 1.00 0.00 C ATOM 418 CG GLU A 32 5.765 -8.401 0.665 1.00 0.00 C ATOM 419 CD GLU A 32 6.243 -9.390 1.710 1.00 0.00 C ATOM 420 OE1 GLU A 32 5.619 -10.464 1.839 1.00 0.00 O ATOM 421 OE2 GLU A 32 7.241 -9.091 2.398 1.00 0.00 O ATOM 0 H GLU A 32 6.912 -9.074 -3.157 1.00 0.00 H new ATOM 0 HA GLU A 32 4.824 -7.435 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.044 -9.649 -0.915 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.790 -9.516 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.356 -7.488 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.730 -8.129 0.874 1.00 0.00 H new ATOM 428 N VAL A 33 6.331 -5.698 -0.874 1.00 0.00 N ATOM 429 CA VAL A 33 7.179 -4.573 -0.499 1.00 0.00 C ATOM 430 C VAL A 33 6.865 -4.095 0.914 1.00 0.00 C ATOM 431 O VAL A 33 5.719 -4.148 1.357 1.00 0.00 O ATOM 432 CB VAL A 33 7.012 -3.394 -1.477 1.00 0.00 C ATOM 433 CG1 VAL A 33 7.617 -3.734 -2.831 1.00 0.00 C ATOM 434 CG2 VAL A 33 5.544 -3.023 -1.617 1.00 0.00 C ATOM 0 H VAL A 33 5.350 -5.590 -0.617 1.00 0.00 H new ATOM 0 HA VAL A 33 8.209 -4.926 -0.539 1.00 0.00 H new ATOM 0 HB VAL A 33 7.544 -2.532 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.490 -2.890 -3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.679 -3.947 -2.712 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.116 -4.609 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.444 -2.189 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.987 -3.880 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.147 -2.735 -0.644 1.00 0.00 H new ATOM 444 N GLN A 34 7.893 -3.628 1.616 1.00 0.00 N ATOM 445 CA GLN A 34 7.726 -3.141 2.980 1.00 0.00 C ATOM 446 C GLN A 34 7.515 -1.630 2.997 1.00 0.00 C ATOM 447 O GLN A 34 8.317 -0.875 2.447 1.00 0.00 O ATOM 448 CB GLN A 34 8.946 -3.506 3.828 1.00 0.00 C ATOM 449 CG GLN A 34 8.755 -3.246 5.313 1.00 0.00 C ATOM 450 CD GLN A 34 9.889 -3.801 6.153 1.00 0.00 C ATOM 451 OE1 GLN A 34 9.699 -4.735 6.933 1.00 0.00 O ATOM 452 NE2 GLN A 34 11.076 -3.228 5.998 1.00 0.00 N ATOM 0 H GLN A 34 8.849 -3.577 1.263 1.00 0.00 H new ATOM 0 HA GLN A 34 6.842 -3.618 3.403 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.179 -4.560 3.679 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.806 -2.937 3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.674 -2.172 5.483 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.815 -3.692 5.638 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.188 -2.457 5.340 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.876 -3.559 6.537 1.00 0.00 H new ATOM 461 N VAL A 35 6.430 -1.196 3.631 1.00 0.00 N ATOM 462 CA VAL A 35 6.113 0.224 3.719 1.00 0.00 C ATOM 463 C VAL A 35 6.787 0.863 4.929 1.00 0.00 C ATOM 464 O VAL A 35 6.349 0.680 6.066 1.00 0.00 O ATOM 465 CB VAL A 35 4.593 0.456 3.810 1.00 0.00 C ATOM 466 CG1 VAL A 35 4.294 1.907 4.155 1.00 0.00 C ATOM 467 CG2 VAL A 35 3.916 0.058 2.507 1.00 0.00 C ATOM 0 H VAL A 35 5.756 -1.808 4.091 1.00 0.00 H new ATOM 0 HA VAL A 35 6.490 0.689 2.808 1.00 0.00 H new ATOM 0 HB VAL A 35 4.193 -0.171 4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.215 2.052 4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.747 2.154 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.705 2.557 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.842 0.228 2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.318 0.658 1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.102 -0.997 2.308 1.00 0.00 H new ATOM 477 N LEU A 36 7.854 1.613 4.677 1.00 0.00 N ATOM 478 CA LEU A 36 8.589 2.281 5.746 1.00 0.00 C ATOM 479 C LEU A 36 7.743 3.377 6.386 1.00 0.00 C ATOM 480 O LEU A 36 7.433 3.319 7.575 1.00 0.00 O ATOM 481 CB LEU A 36 9.889 2.875 5.203 1.00 0.00 C ATOM 482 CG LEU A 36 10.835 1.896 4.506 1.00 0.00 C ATOM 483 CD1 LEU A 36 12.070 2.621 3.993 1.00 0.00 C ATOM 484 CD2 LEU A 36 11.230 0.771 5.452 1.00 0.00 C ATOM 0 H LEU A 36 8.230 1.774 3.742 1.00 0.00 H new ATOM 0 HA LEU A 36 8.827 1.540 6.509 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.636 3.668 4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.425 3.341 6.030 1.00 0.00 H new ATOM 0 HG LEU A 36 10.313 1.461 3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 36 12.732 1.909 3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.771 3.391 3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.594 3.084 4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.903 0.084 4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.733 1.189 6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.337 0.233 5.771 1.00 0.00 H new ATOM 496 N GLU A 37 7.373 4.374 5.588 1.00 0.00 N ATOM 497 CA GLU A 37 6.562 5.482 6.077 1.00 0.00 C ATOM 498 C GLU A 37 5.489 5.862 5.060 1.00 0.00 C ATOM 499 O GLU A 37 5.518 5.414 3.914 1.00 0.00 O ATOM 500 CB GLU A 37 7.445 6.695 6.380 1.00 0.00 C ATOM 501 CG GLU A 37 6.721 7.804 7.124 1.00 0.00 C ATOM 502 CD GLU A 37 7.670 8.850 7.678 1.00 0.00 C ATOM 503 OE1 GLU A 37 8.730 8.464 8.213 1.00 0.00 O ATOM 504 OE2 GLU A 37 7.351 10.053 7.577 1.00 0.00 O ATOM 0 H GLU A 37 7.622 4.437 4.601 1.00 0.00 H new ATOM 0 HA GLU A 37 6.070 5.161 6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.302 6.372 6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.836 7.092 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.010 8.284 6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.145 7.372 7.942 1.00 0.00 H new ATOM 511 N LYS A 38 4.543 6.691 5.489 1.00 0.00 N ATOM 512 CA LYS A 38 3.461 7.132 4.618 1.00 0.00 C ATOM 513 C LYS A 38 3.363 8.655 4.600 1.00 0.00 C ATOM 514 O LYS A 38 3.612 9.313 5.610 1.00 0.00 O ATOM 515 CB LYS A 38 2.131 6.531 5.078 1.00 0.00 C ATOM 516 CG LYS A 38 2.082 5.016 4.979 1.00 0.00 C ATOM 517 CD LYS A 38 0.804 4.459 5.584 1.00 0.00 C ATOM 518 CE LYS A 38 0.726 2.948 5.429 1.00 0.00 C ATOM 519 NZ LYS A 38 -0.043 2.316 6.536 1.00 0.00 N ATOM 0 H LYS A 38 4.504 7.071 6.435 1.00 0.00 H new ATOM 0 HA LYS A 38 3.679 6.787 3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.947 6.825 6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.325 6.952 4.478 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.151 4.716 3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.944 4.589 5.491 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.757 4.720 6.641 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.059 4.920 5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.257 2.704 4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.734 2.533 5.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.350 1.365 6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.560 2.243 7.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.877 2.897 6.756 1.00 0.00 H new ATOM 533 N GLN A 39 2.999 9.206 3.447 1.00 0.00 N ATOM 534 CA GLN A 39 2.868 10.651 3.300 1.00 0.00 C ATOM 535 C GLN A 39 1.411 11.046 3.082 1.00 0.00 C ATOM 536 O GLN A 39 0.742 10.518 2.195 1.00 0.00 O ATOM 537 CB GLN A 39 3.723 11.145 2.132 1.00 0.00 C ATOM 538 CG GLN A 39 5.219 11.031 2.382 1.00 0.00 C ATOM 539 CD GLN A 39 5.780 12.232 3.118 1.00 0.00 C ATOM 540 OE1 GLN A 39 6.099 12.154 4.304 1.00 0.00 O ATOM 541 NE2 GLN A 39 5.905 13.352 2.415 1.00 0.00 N ATOM 0 H GLN A 39 2.790 8.675 2.602 1.00 0.00 H new ATOM 0 HA GLN A 39 3.218 11.118 4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.468 10.575 1.239 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.476 12.186 1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.419 10.129 2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.736 10.920 1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.628 13.372 1.434 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.278 14.192 2.857 1.00 0.00 H new ATOM 550 N GLU A 40 0.928 11.979 3.897 1.00 0.00 N ATOM 551 CA GLU A 40 -0.450 12.443 3.793 1.00 0.00 C ATOM 552 C GLU A 40 -0.877 12.559 2.332 1.00 0.00 C ATOM 553 O GLU A 40 -2.012 12.241 1.978 1.00 0.00 O ATOM 554 CB GLU A 40 -0.610 13.795 4.491 1.00 0.00 C ATOM 555 CG GLU A 40 -2.056 14.241 4.631 1.00 0.00 C ATOM 556 CD GLU A 40 -2.182 15.706 5.003 1.00 0.00 C ATOM 557 OE1 GLU A 40 -1.600 16.110 6.030 1.00 0.00 O ATOM 558 OE2 GLU A 40 -2.863 16.448 4.264 1.00 0.00 O ATOM 0 H GLU A 40 1.470 12.428 4.635 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.091 11.710 4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.159 13.739 5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.058 14.551 3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.580 14.062 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.548 13.634 5.391 1.00 0.00 H new ATOM 565 N SER A 41 0.042 13.019 1.489 1.00 0.00 N ATOM 566 CA SER A 41 -0.239 13.181 0.067 1.00 0.00 C ATOM 567 C SER A 41 -0.785 11.888 -0.531 1.00 0.00 C ATOM 568 O SER A 41 -1.787 11.895 -1.244 1.00 0.00 O ATOM 569 CB SER A 41 1.027 13.607 -0.679 1.00 0.00 C ATOM 570 OG SER A 41 0.718 14.083 -1.978 1.00 0.00 O ATOM 0 H SER A 41 0.987 13.286 1.766 1.00 0.00 H new ATOM 0 HA SER A 41 -0.996 13.958 -0.042 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.540 14.386 -0.115 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.712 12.762 -0.751 1.00 0.00 H new ATOM 0 HG SER A 41 1.544 14.350 -2.433 1.00 0.00 H new ATOM 576 N GLY A 42 -0.116 10.778 -0.233 1.00 0.00 N ATOM 577 CA GLY A 42 -0.548 9.492 -0.748 1.00 0.00 C ATOM 578 C GLY A 42 0.616 8.601 -1.133 1.00 0.00 C ATOM 579 O GLY A 42 0.452 7.393 -1.306 1.00 0.00 O ATOM 0 H GLY A 42 0.717 10.747 0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.154 8.988 0.005 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.185 9.648 -1.618 1.00 0.00 H new ATOM 583 N TRP A 43 1.795 9.197 -1.269 1.00 0.00 N ATOM 584 CA TRP A 43 2.992 8.449 -1.638 1.00 0.00 C ATOM 585 C TRP A 43 3.631 7.806 -0.413 1.00 0.00 C ATOM 586 O TRP A 43 3.958 8.488 0.558 1.00 0.00 O ATOM 587 CB TRP A 43 3.999 9.368 -2.332 1.00 0.00 C ATOM 588 CG TRP A 43 3.569 9.794 -3.702 1.00 0.00 C ATOM 589 CD1 TRP A 43 2.726 10.823 -4.014 1.00 0.00 C ATOM 590 CD2 TRP A 43 3.958 9.202 -4.946 1.00 0.00 C ATOM 591 NE1 TRP A 43 2.569 10.906 -5.376 1.00 0.00 N ATOM 592 CE2 TRP A 43 3.315 9.923 -5.971 1.00 0.00 C ATOM 593 CE3 TRP A 43 4.789 8.134 -5.294 1.00 0.00 C ATOM 594 CZ2 TRP A 43 3.477 9.608 -7.317 1.00 0.00 C ATOM 595 CZ3 TRP A 43 4.949 7.822 -6.631 1.00 0.00 C ATOM 596 CH2 TRP A 43 4.296 8.557 -7.629 1.00 0.00 C ATOM 0 H TRP A 43 1.948 10.196 -1.129 1.00 0.00 H new ATOM 0 HA TRP A 43 2.698 7.658 -2.328 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.156 10.254 -1.716 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.958 8.856 -2.403 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.253 11.475 -3.295 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.991 11.589 -5.865 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.297 7.562 -4.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.974 10.173 -8.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.588 6.998 -6.911 1.00 0.00 H new ATOM 0 HH2 TRP A 43 4.442 8.289 -8.665 1.00 0.00 H new ATOM 607 N TRP A 44 3.807 6.490 -0.464 1.00 0.00 N ATOM 608 CA TRP A 44 4.408 5.756 0.643 1.00 0.00 C ATOM 609 C TRP A 44 5.790 5.235 0.264 1.00 0.00 C ATOM 610 O TRP A 44 6.005 4.778 -0.859 1.00 0.00 O ATOM 611 CB TRP A 44 3.507 4.592 1.059 1.00 0.00 C ATOM 612 CG TRP A 44 2.081 4.995 1.282 1.00 0.00 C ATOM 613 CD1 TRP A 44 1.607 6.262 1.471 1.00 0.00 C ATOM 614 CD2 TRP A 44 0.944 4.127 1.342 1.00 0.00 C ATOM 615 NE1 TRP A 44 0.245 6.234 1.644 1.00 0.00 N ATOM 616 CE2 TRP A 44 -0.186 4.936 1.569 1.00 0.00 C ATOM 617 CE3 TRP A 44 0.771 2.745 1.224 1.00 0.00 C ATOM 618 CZ2 TRP A 44 -1.470 4.407 1.681 1.00 0.00 C ATOM 619 CZ3 TRP A 44 -0.503 2.222 1.336 1.00 0.00 C ATOM 620 CH2 TRP A 44 -1.610 3.051 1.561 1.00 0.00 C ATOM 0 H TRP A 44 3.542 5.910 -1.260 1.00 0.00 H new ATOM 0 HA TRP A 44 4.516 6.441 1.484 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.543 3.821 0.289 1.00 0.00 H new ATOM 0 HB3 TRP A 44 3.899 4.148 1.974 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.214 7.155 1.483 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.349 7.048 1.803 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.618 2.098 1.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.324 5.044 1.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.648 1.155 1.249 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.593 2.611 1.641 1.00 0.00 H new ATOM 631 N TYR A 45 6.723 5.306 1.207 1.00 0.00 N ATOM 632 CA TYR A 45 8.086 4.843 0.970 1.00 0.00 C ATOM 633 C TYR A 45 8.186 3.331 1.148 1.00 0.00 C ATOM 634 O TYR A 45 8.137 2.821 2.267 1.00 0.00 O ATOM 635 CB TYR A 45 9.057 5.545 1.920 1.00 0.00 C ATOM 636 CG TYR A 45 10.486 5.558 1.424 1.00 0.00 C ATOM 637 CD1 TYR A 45 10.784 5.915 0.115 1.00 0.00 C ATOM 638 CD2 TYR A 45 11.537 5.211 2.265 1.00 0.00 C ATOM 639 CE1 TYR A 45 12.088 5.928 -0.342 1.00 0.00 C ATOM 640 CE2 TYR A 45 12.843 5.221 1.816 1.00 0.00 C ATOM 641 CZ TYR A 45 13.114 5.580 0.512 1.00 0.00 C ATOM 642 OH TYR A 45 14.414 5.591 0.061 1.00 0.00 O ATOM 0 H TYR A 45 6.561 5.679 2.142 1.00 0.00 H new ATOM 0 HA TYR A 45 8.353 5.088 -0.058 1.00 0.00 H new ATOM 0 HB2 TYR A 45 8.725 6.572 2.072 1.00 0.00 H new ATOM 0 HB3 TYR A 45 9.023 5.051 2.891 1.00 0.00 H new ATOM 0 HD1 TYR A 45 9.983 6.187 -0.557 1.00 0.00 H new ATOM 0 HD2 TYR A 45 11.329 4.929 3.287 1.00 0.00 H new ATOM 0 HE1 TYR A 45 12.303 6.209 -1.362 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.648 4.949 2.483 1.00 0.00 H new ATOM 0 HH TYR A 45 14.461 5.149 -0.813 1.00 0.00 H new ATOM 652 N VAL A 46 8.327 2.619 0.034 1.00 0.00 N ATOM 653 CA VAL A 46 8.436 1.166 0.065 1.00 0.00 C ATOM 654 C VAL A 46 9.877 0.718 -0.149 1.00 0.00 C ATOM 655 O VAL A 46 10.748 1.527 -0.469 1.00 0.00 O ATOM 656 CB VAL A 46 7.543 0.513 -1.007 1.00 0.00 C ATOM 657 CG1 VAL A 46 6.152 0.246 -0.453 1.00 0.00 C ATOM 658 CG2 VAL A 46 7.473 1.390 -2.248 1.00 0.00 C ATOM 0 H VAL A 46 8.368 3.025 -0.901 1.00 0.00 H new ATOM 0 HA VAL A 46 8.101 0.845 1.051 1.00 0.00 H new ATOM 0 HB VAL A 46 7.984 -0.443 -1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.535 -0.215 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.224 -0.425 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.698 1.186 -0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.838 0.913 -2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.056 2.362 -1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.475 1.524 -2.656 1.00 0.00 H new ATOM 668 N ARG A 47 10.122 -0.576 0.030 1.00 0.00 N ATOM 669 CA ARG A 47 11.459 -1.131 -0.142 1.00 0.00 C ATOM 670 C ARG A 47 11.419 -2.386 -1.010 1.00 0.00 C ATOM 671 O ARG A 47 10.664 -3.319 -0.736 1.00 0.00 O ATOM 672 CB ARG A 47 12.078 -1.459 1.218 1.00 0.00 C ATOM 673 CG ARG A 47 13.392 -2.216 1.123 1.00 0.00 C ATOM 674 CD ARG A 47 13.964 -2.515 2.500 1.00 0.00 C ATOM 675 NE ARG A 47 14.186 -1.298 3.276 1.00 0.00 N ATOM 676 CZ ARG A 47 14.800 -1.279 4.454 1.00 0.00 C ATOM 677 NH1 ARG A 47 15.252 -2.405 4.988 1.00 0.00 N ATOM 678 NH2 ARG A 47 14.964 -0.132 5.099 1.00 0.00 N ATOM 0 H ARG A 47 9.412 -1.259 0.294 1.00 0.00 H new ATOM 0 HA ARG A 47 12.074 -0.383 -0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.242 -0.531 1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.369 -2.050 1.797 1.00 0.00 H new ATOM 0 HG2 ARG A 47 13.237 -3.149 0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 47 14.110 -1.630 0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.282 -3.171 3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.906 -3.053 2.392 1.00 0.00 H new ATOM 0 HE ARG A 47 13.851 -0.414 2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.129 -3.289 4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.723 -2.387 5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.619 0.737 4.691 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.435 -0.118 6.003 1.00 0.00 H new ATOM 692 N PHE A 48 12.235 -2.400 -2.058 1.00 0.00 N ATOM 693 CA PHE A 48 12.292 -3.539 -2.967 1.00 0.00 C ATOM 694 C PHE A 48 13.698 -4.131 -3.011 1.00 0.00 C ATOM 695 O PHE A 48 14.544 -3.694 -3.790 1.00 0.00 O ATOM 696 CB PHE A 48 11.861 -3.118 -4.374 1.00 0.00 C ATOM 697 CG PHE A 48 11.711 -4.270 -5.325 1.00 0.00 C ATOM 698 CD1 PHE A 48 10.884 -5.338 -5.016 1.00 0.00 C ATOM 699 CD2 PHE A 48 12.397 -4.285 -6.529 1.00 0.00 C ATOM 700 CE1 PHE A 48 10.746 -6.400 -5.890 1.00 0.00 C ATOM 701 CE2 PHE A 48 12.262 -5.344 -7.407 1.00 0.00 C ATOM 702 CZ PHE A 48 11.434 -6.403 -7.087 1.00 0.00 C ATOM 0 H PHE A 48 12.866 -1.636 -2.299 1.00 0.00 H new ATOM 0 HA PHE A 48 11.607 -4.301 -2.596 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.913 -2.584 -4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.594 -2.419 -4.776 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.341 -5.341 -4.082 1.00 0.00 H new ATOM 0 HD2 PHE A 48 13.045 -3.459 -6.784 1.00 0.00 H new ATOM 0 HE1 PHE A 48 10.100 -7.227 -5.636 1.00 0.00 H new ATOM 0 HE2 PHE A 48 12.803 -5.344 -8.342 1.00 0.00 H new ATOM 0 HZ PHE A 48 11.325 -7.231 -7.772 1.00 0.00 H new ATOM 712 N GLY A 49 13.939 -5.130 -2.166 1.00 0.00 N ATOM 713 CA GLY A 49 15.243 -5.765 -2.123 1.00 0.00 C ATOM 714 C GLY A 49 16.282 -4.911 -1.424 1.00 0.00 C ATOM 715 O GLY A 49 16.336 -4.870 -0.195 1.00 0.00 O ATOM 0 H GLY A 49 13.255 -5.510 -1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.160 -6.723 -1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 49 15.575 -5.975 -3.140 1.00 0.00 H new ATOM 719 N GLU A 50 17.109 -4.228 -2.208 1.00 0.00 N ATOM 720 CA GLU A 50 18.153 -3.372 -1.656 1.00 0.00 C ATOM 721 C GLU A 50 17.955 -1.923 -2.091 1.00 0.00 C ATOM 722 O GLU A 50 18.922 -1.189 -2.303 1.00 0.00 O ATOM 723 CB GLU A 50 19.533 -3.865 -2.096 1.00 0.00 C ATOM 724 CG GLU A 50 20.682 -3.181 -1.374 1.00 0.00 C ATOM 725 CD GLU A 50 21.984 -3.950 -1.490 1.00 0.00 C ATOM 726 OE1 GLU A 50 22.125 -4.985 -0.805 1.00 0.00 O ATOM 727 OE2 GLU A 50 22.862 -3.517 -2.265 1.00 0.00 O ATOM 0 H GLU A 50 17.077 -4.250 -3.227 1.00 0.00 H new ATOM 0 HA GLU A 50 18.089 -3.418 -0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 50 19.597 -4.940 -1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.642 -3.705 -3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 50 20.818 -2.180 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 50 20.426 -3.064 -0.321 1.00 0.00 H new ATOM 734 N LEU A 51 16.697 -1.517 -2.222 1.00 0.00 N ATOM 735 CA LEU A 51 16.371 -0.156 -2.632 1.00 0.00 C ATOM 736 C LEU A 51 15.057 0.301 -2.008 1.00 0.00 C ATOM 737 O LEU A 51 14.241 -0.518 -1.588 1.00 0.00 O ATOM 738 CB LEU A 51 16.282 -0.069 -4.157 1.00 0.00 C ATOM 739 CG LEU A 51 17.513 -0.545 -4.930 1.00 0.00 C ATOM 740 CD1 LEU A 51 17.171 -0.765 -6.395 1.00 0.00 C ATOM 741 CD2 LEU A 51 18.651 0.455 -4.790 1.00 0.00 C ATOM 0 H LEU A 51 15.886 -2.111 -2.050 1.00 0.00 H new ATOM 0 HA LEU A 51 17.166 0.502 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.423 -0.655 -4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 51 16.084 0.967 -4.431 1.00 0.00 H new ATOM 0 HG LEU A 51 17.838 -1.496 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A 51 18.059 -1.103 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU A 51 16.389 -1.520 -6.477 1.00 0.00 H new ATOM 0 HD13 LEU A 51 16.820 0.170 -6.831 1.00 0.00 H new ATOM 0 HD21 LEU A 51 19.518 0.100 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 51 18.337 1.421 -5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 51 18.914 0.562 -3.738 1.00 0.00 H new ATOM 753 N GLU A 52 14.859 1.615 -1.953 1.00 0.00 N ATOM 754 CA GLU A 52 13.643 2.180 -1.380 1.00 0.00 C ATOM 755 C GLU A 52 13.156 3.370 -2.203 1.00 0.00 C ATOM 756 O GLU A 52 13.898 4.323 -2.434 1.00 0.00 O ATOM 757 CB GLU A 52 13.887 2.612 0.067 1.00 0.00 C ATOM 758 CG GLU A 52 14.119 1.450 1.018 1.00 0.00 C ATOM 759 CD GLU A 52 15.576 1.037 1.089 1.00 0.00 C ATOM 760 OE1 GLU A 52 16.417 1.885 1.454 1.00 0.00 O ATOM 761 OE2 GLU A 52 15.875 -0.136 0.780 1.00 0.00 O ATOM 0 H GLU A 52 15.524 2.307 -2.298 1.00 0.00 H new ATOM 0 HA GLU A 52 12.872 1.409 -1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.752 3.275 0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.030 3.189 0.414 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.775 1.726 2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.519 0.598 0.698 1.00 0.00 H new ATOM 768 N GLY A 53 11.903 3.305 -2.643 1.00 0.00 N ATOM 769 CA GLY A 53 11.339 4.382 -3.435 1.00 0.00 C ATOM 770 C GLY A 53 9.918 4.719 -3.028 1.00 0.00 C ATOM 771 O GLY A 53 9.253 3.926 -2.361 1.00 0.00 O ATOM 0 H GLY A 53 11.269 2.526 -2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.963 5.270 -3.332 1.00 0.00 H new ATOM 0 HA3 GLY A 53 11.355 4.101 -4.488 1.00 0.00 H new ATOM 775 N TRP A 54 9.454 5.897 -3.427 1.00 0.00 N ATOM 776 CA TRP A 54 8.103 6.337 -3.097 1.00 0.00 C ATOM 777 C TRP A 54 7.100 5.841 -4.134 1.00 0.00 C ATOM 778 O TRP A 54 7.088 6.309 -5.272 1.00 0.00 O ATOM 779 CB TRP A 54 8.049 7.863 -3.007 1.00 0.00 C ATOM 780 CG TRP A 54 8.893 8.422 -1.902 1.00 0.00 C ATOM 781 CD1 TRP A 54 10.185 8.854 -1.995 1.00 0.00 C ATOM 782 CD2 TRP A 54 8.503 8.609 -0.537 1.00 0.00 C ATOM 783 NE1 TRP A 54 10.623 9.297 -0.770 1.00 0.00 N ATOM 784 CE2 TRP A 54 9.609 9.158 0.141 1.00 0.00 C ATOM 785 CE3 TRP A 54 7.327 8.367 0.178 1.00 0.00 C ATOM 786 CZ2 TRP A 54 9.571 9.467 1.498 1.00 0.00 C ATOM 787 CZ3 TRP A 54 7.291 8.674 1.525 1.00 0.00 C ATOM 788 CH2 TRP A 54 8.407 9.220 2.174 1.00 0.00 C ATOM 0 H TRP A 54 9.992 6.565 -3.979 1.00 0.00 H new ATOM 0 HA TRP A 54 7.836 5.913 -2.129 1.00 0.00 H new ATOM 0 HB2 TRP A 54 8.377 8.288 -3.956 1.00 0.00 H new ATOM 0 HB3 TRP A 54 7.015 8.175 -2.859 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.776 8.848 -2.899 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.552 9.669 -0.571 1.00 0.00 H new ATOM 0 HE3 TRP A 54 6.462 7.947 -0.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.430 9.887 2.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 6.387 8.490 2.087 1.00 0.00 H new ATOM 0 HH2 TRP A 54 8.347 9.450 3.227 1.00 0.00 H new ATOM 799 N ALA A 55 6.261 4.893 -3.733 1.00 0.00 N ATOM 800 CA ALA A 55 5.253 4.336 -4.627 1.00 0.00 C ATOM 801 C ALA A 55 3.854 4.794 -4.230 1.00 0.00 C ATOM 802 O ALA A 55 3.535 4.944 -3.050 1.00 0.00 O ATOM 803 CB ALA A 55 5.332 2.816 -4.630 1.00 0.00 C ATOM 0 H ALA A 55 6.259 4.494 -2.794 1.00 0.00 H new ATOM 0 HA ALA A 55 5.454 4.701 -5.634 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.574 2.414 -5.302 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.320 2.504 -4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.159 2.441 -3.621 1.00 0.00 H new ATOM 809 N PRO A 56 2.998 5.022 -5.237 1.00 0.00 N ATOM 810 CA PRO A 56 1.618 5.467 -5.017 1.00 0.00 C ATOM 811 C PRO A 56 0.750 4.378 -4.396 1.00 0.00 C ATOM 812 O PRO A 56 0.701 3.252 -4.892 1.00 0.00 O ATOM 813 CB PRO A 56 1.126 5.804 -6.427 1.00 0.00 C ATOM 814 CG PRO A 56 1.965 4.970 -7.331 1.00 0.00 C ATOM 815 CD PRO A 56 3.310 4.864 -6.667 1.00 0.00 C ATOM 0 HA PRO A 56 1.565 6.304 -4.321 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.067 5.571 -6.543 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.245 6.865 -6.644 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.522 3.984 -7.475 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.051 5.428 -8.316 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.784 3.904 -6.871 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.993 5.638 -7.017 1.00 0.00 H new ATOM 823 N SER A 57 0.066 4.721 -3.309 1.00 0.00 N ATOM 824 CA SER A 57 -0.798 3.771 -2.618 1.00 0.00 C ATOM 825 C SER A 57 -1.850 3.204 -3.567 1.00 0.00 C ATOM 826 O SER A 57 -2.519 2.219 -3.253 1.00 0.00 O ATOM 827 CB SER A 57 -1.480 4.444 -1.425 1.00 0.00 C ATOM 828 OG SER A 57 -2.515 5.312 -1.853 1.00 0.00 O ATOM 0 H SER A 57 0.093 5.650 -2.888 1.00 0.00 H new ATOM 0 HA SER A 57 -0.179 2.950 -2.257 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.890 3.684 -0.760 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.744 5.006 -0.851 1.00 0.00 H new ATOM 0 HG SER A 57 -2.936 5.728 -1.072 1.00 0.00 H new ATOM 834 N HIS A 58 -1.989 3.833 -4.729 1.00 0.00 N ATOM 835 CA HIS A 58 -2.959 3.392 -5.725 1.00 0.00 C ATOM 836 C HIS A 58 -2.576 2.028 -6.290 1.00 0.00 C ATOM 837 O HIS A 58 -3.440 1.219 -6.629 1.00 0.00 O ATOM 838 CB HIS A 58 -3.061 4.415 -6.857 1.00 0.00 C ATOM 839 CG HIS A 58 -3.165 5.830 -6.377 1.00 0.00 C ATOM 840 ND1 HIS A 58 -2.220 6.793 -6.661 1.00 0.00 N ATOM 841 CD2 HIS A 58 -4.112 6.444 -5.630 1.00 0.00 C ATOM 842 CE1 HIS A 58 -2.579 7.937 -6.108 1.00 0.00 C ATOM 843 NE2 HIS A 58 -3.725 7.753 -5.477 1.00 0.00 N ATOM 0 H HIS A 58 -1.443 4.649 -5.004 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.929 3.304 -5.236 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.186 4.321 -7.500 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.933 4.182 -7.469 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.006 5.989 -5.229 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -2.029 8.865 -6.162 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -4.239 8.467 -4.960 1.00 0.00 H new ATOM 852 N TYR A 59 -1.275 1.779 -6.390 1.00 0.00 N ATOM 853 CA TYR A 59 -0.777 0.514 -6.917 1.00 0.00 C ATOM 854 C TYR A 59 -0.741 -0.554 -5.827 1.00 0.00 C ATOM 855 O TYR A 59 -1.046 -1.722 -6.076 1.00 0.00 O ATOM 856 CB TYR A 59 0.621 0.699 -7.510 1.00 0.00 C ATOM 857 CG TYR A 59 0.631 1.482 -8.803 1.00 0.00 C ATOM 858 CD1 TYR A 59 0.064 2.749 -8.875 1.00 0.00 C ATOM 859 CD2 TYR A 59 1.206 0.956 -9.953 1.00 0.00 C ATOM 860 CE1 TYR A 59 0.070 3.468 -10.054 1.00 0.00 C ATOM 861 CE2 TYR A 59 1.218 1.668 -11.136 1.00 0.00 C ATOM 862 CZ TYR A 59 0.649 2.924 -11.182 1.00 0.00 C ATOM 863 OH TYR A 59 0.657 3.636 -12.359 1.00 0.00 O ATOM 0 H TYR A 59 -0.546 2.437 -6.113 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.457 0.184 -7.702 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.251 1.209 -6.781 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.065 -0.281 -7.685 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.389 3.179 -7.994 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.652 -0.027 -9.921 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.376 4.451 -10.093 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.670 1.244 -12.020 1.00 0.00 H new ATOM 0 HH TYR A 59 1.104 3.111 -13.056 1.00 0.00 H new ATOM 873 N LEU A 60 -0.369 -0.146 -4.620 1.00 0.00 N ATOM 874 CA LEU A 60 -0.294 -1.066 -3.490 1.00 0.00 C ATOM 875 C LEU A 60 -1.689 -1.457 -3.013 1.00 0.00 C ATOM 876 O LEU A 60 -2.579 -0.614 -2.905 1.00 0.00 O ATOM 877 CB LEU A 60 0.491 -0.431 -2.341 1.00 0.00 C ATOM 878 CG LEU A 60 1.922 0.000 -2.663 1.00 0.00 C ATOM 879 CD1 LEU A 60 2.533 0.745 -1.486 1.00 0.00 C ATOM 880 CD2 LEU A 60 2.773 -1.206 -3.033 1.00 0.00 C ATOM 0 H LEU A 60 -0.114 0.816 -4.398 1.00 0.00 H new ATOM 0 HA LEU A 60 0.223 -1.967 -3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.060 0.442 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.524 -1.141 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 60 1.893 0.675 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.552 1.044 -1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.938 1.632 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.548 0.094 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.788 -0.879 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.794 -1.906 -2.198 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.347 -1.697 -3.908 1.00 0.00 H new ATOM 892 N VAL A 61 -1.872 -2.742 -2.726 1.00 0.00 N ATOM 893 CA VAL A 61 -3.157 -3.245 -2.257 1.00 0.00 C ATOM 894 C VAL A 61 -3.212 -3.278 -0.734 1.00 0.00 C ATOM 895 O VAL A 61 -2.342 -3.857 -0.083 1.00 0.00 O ATOM 896 CB VAL A 61 -3.439 -4.659 -2.800 1.00 0.00 C ATOM 897 CG1 VAL A 61 -2.394 -5.643 -2.296 1.00 0.00 C ATOM 898 CG2 VAL A 61 -4.839 -5.109 -2.412 1.00 0.00 C ATOM 0 H VAL A 61 -1.146 -3.454 -2.810 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.919 -2.561 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.380 -4.630 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.610 -6.636 -2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.406 -5.327 -2.630 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.417 -5.672 -1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.021 -6.110 -2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.929 -5.123 -1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.572 -4.418 -2.828 1.00 0.00 H new ATOM 908 N LEU A 62 -4.240 -2.653 -0.171 1.00 0.00 N ATOM 909 CA LEU A 62 -4.410 -2.610 1.277 1.00 0.00 C ATOM 910 C LEU A 62 -5.353 -3.713 1.748 1.00 0.00 C ATOM 911 O LEU A 62 -6.573 -3.587 1.642 1.00 0.00 O ATOM 912 CB LEU A 62 -4.949 -1.244 1.707 1.00 0.00 C ATOM 913 CG LEU A 62 -4.491 -0.048 0.872 1.00 0.00 C ATOM 914 CD1 LEU A 62 -2.994 -0.122 0.611 1.00 0.00 C ATOM 915 CD2 LEU A 62 -5.260 0.013 -0.439 1.00 0.00 C ATOM 0 H LEU A 62 -4.969 -2.169 -0.695 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.435 -2.770 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.038 -1.282 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.658 -1.071 2.743 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.697 0.863 1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.686 0.737 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.458 -0.116 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.764 -1.040 0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.921 0.870 -1.020 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.086 -0.902 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.325 0.114 -0.232 1.00 0.00 H new ATOM 927 N ASP A 63 -4.779 -4.792 2.269 1.00 0.00 N ATOM 928 CA ASP A 63 -5.568 -5.916 2.759 1.00 0.00 C ATOM 929 C ASP A 63 -6.814 -6.120 1.903 1.00 0.00 C ATOM 930 O ASP A 63 -7.861 -6.529 2.402 1.00 0.00 O ATOM 931 CB ASP A 63 -5.969 -5.687 4.218 1.00 0.00 C ATOM 932 CG ASP A 63 -6.162 -6.986 4.975 1.00 0.00 C ATOM 933 OD1 ASP A 63 -6.917 -7.852 4.486 1.00 0.00 O ATOM 934 OD2 ASP A 63 -5.558 -7.137 6.058 1.00 0.00 O ATOM 0 H ASP A 63 -3.770 -4.912 2.363 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.954 -6.814 2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.202 -5.091 4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.893 -5.109 4.252 1.00 0.00 H new ATOM 939 N GLU A 64 -6.691 -5.832 0.611 1.00 0.00 N ATOM 940 CA GLU A 64 -7.808 -5.982 -0.314 1.00 0.00 C ATOM 941 C GLU A 64 -7.716 -7.307 -1.067 1.00 0.00 C ATOM 942 O GLU A 64 -6.662 -7.940 -1.104 1.00 0.00 O ATOM 943 CB GLU A 64 -7.837 -4.819 -1.308 1.00 0.00 C ATOM 944 CG GLU A 64 -9.232 -4.473 -1.799 1.00 0.00 C ATOM 945 CD GLU A 64 -9.263 -3.196 -2.616 1.00 0.00 C ATOM 946 OE1 GLU A 64 -8.547 -3.128 -3.637 1.00 0.00 O ATOM 947 OE2 GLU A 64 -10.002 -2.264 -2.235 1.00 0.00 O ATOM 0 H GLU A 64 -5.830 -5.494 0.182 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.730 -5.976 0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.398 -3.939 -0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.211 -5.069 -2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.615 -5.296 -2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.899 -4.369 -0.943 1.00 0.00 H new ATOM 954 N ASN A 65 -8.829 -7.718 -1.667 1.00 0.00 N ATOM 955 CA ASN A 65 -8.875 -8.967 -2.418 1.00 0.00 C ATOM 956 C ASN A 65 -7.568 -9.198 -3.171 1.00 0.00 C ATOM 957 O ASN A 65 -7.329 -8.596 -4.217 1.00 0.00 O ATOM 958 CB ASN A 65 -10.047 -8.952 -3.402 1.00 0.00 C ATOM 959 CG ASN A 65 -11.319 -8.415 -2.776 1.00 0.00 C ATOM 960 OD1 ASN A 65 -11.784 -8.921 -1.754 1.00 0.00 O ATOM 961 ND2 ASN A 65 -11.891 -7.385 -3.389 1.00 0.00 N ATOM 0 H ASN A 65 -9.710 -7.205 -1.648 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.014 -9.783 -1.709 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -9.785 -8.342 -4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.224 -9.963 -3.768 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.750 -6.982 -3.015 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.471 -6.997 -4.234 1.00 0.00 H new ATOM 968 N GLU A 66 -6.726 -10.074 -2.630 1.00 0.00 N ATOM 969 CA GLU A 66 -5.444 -10.384 -3.250 1.00 0.00 C ATOM 970 C GLU A 66 -5.132 -11.874 -3.142 1.00 0.00 C ATOM 971 O GLU A 66 -5.280 -12.472 -2.077 1.00 0.00 O ATOM 972 CB GLU A 66 -4.326 -9.569 -2.597 1.00 0.00 C ATOM 973 CG GLU A 66 -3.177 -9.248 -3.537 1.00 0.00 C ATOM 974 CD GLU A 66 -2.147 -10.359 -3.602 1.00 0.00 C ATOM 975 OE1 GLU A 66 -2.152 -11.224 -2.701 1.00 0.00 O ATOM 976 OE2 GLU A 66 -1.337 -10.364 -4.552 1.00 0.00 O ATOM 0 H GLU A 66 -6.909 -10.581 -1.764 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.508 -10.120 -4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.743 -8.637 -2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.940 -10.120 -1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.571 -9.064 -4.537 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.693 -8.327 -3.211 1.00 0.00 H new ATOM 983 N GLN A 67 -4.702 -12.464 -4.252 1.00 0.00 N ATOM 984 CA GLN A 67 -4.371 -13.884 -4.282 1.00 0.00 C ATOM 985 C GLN A 67 -3.650 -14.302 -3.005 1.00 0.00 C ATOM 986 O GLN A 67 -2.862 -13.549 -2.433 1.00 0.00 O ATOM 987 CB GLN A 67 -3.502 -14.201 -5.500 1.00 0.00 C ATOM 988 CG GLN A 67 -4.257 -14.144 -6.818 1.00 0.00 C ATOM 989 CD GLN A 67 -5.485 -15.034 -6.826 1.00 0.00 C ATOM 990 OE1 GLN A 67 -5.393 -16.240 -6.598 1.00 0.00 O ATOM 991 NE2 GLN A 67 -6.643 -14.441 -7.091 1.00 0.00 N ATOM 0 H GLN A 67 -4.575 -11.982 -5.142 1.00 0.00 H new ATOM 0 HA GLN A 67 -5.302 -14.447 -4.352 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.671 -13.496 -5.536 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.072 -15.195 -5.380 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.557 -13.115 -7.016 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.591 -14.443 -7.627 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.672 -13.438 -7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.503 -14.988 -7.111 1.00 0.00 H new ATOM 1000 N PRO A 68 -3.924 -15.532 -2.545 1.00 0.00 N ATOM 1001 CA PRO A 68 -3.311 -16.078 -1.330 1.00 0.00 C ATOM 1002 C PRO A 68 -1.826 -16.371 -1.512 1.00 0.00 C ATOM 1003 O PRO A 68 -1.398 -16.828 -2.572 1.00 0.00 O ATOM 1004 CB PRO A 68 -4.087 -17.376 -1.094 1.00 0.00 C ATOM 1005 CG PRO A 68 -4.586 -17.770 -2.442 1.00 0.00 C ATOM 1006 CD PRO A 68 -4.853 -16.484 -3.176 1.00 0.00 C ATOM 0 HA PRO A 68 -3.362 -15.377 -0.497 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -3.447 -18.148 -0.668 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.910 -17.224 -0.396 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.849 -18.375 -2.970 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.493 -18.370 -2.363 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.662 -16.584 -4.244 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.890 -16.166 -3.066 1.00 0.00 H new ATOM 1014 N ASP A 69 -1.044 -16.105 -0.472 1.00 0.00 N ATOM 1015 CA ASP A 69 0.395 -16.341 -0.516 1.00 0.00 C ATOM 1016 C ASP A 69 0.800 -17.416 0.488 1.00 0.00 C ATOM 1017 O ASP A 69 0.184 -17.579 1.542 1.00 0.00 O ATOM 1018 CB ASP A 69 1.155 -15.045 -0.229 1.00 0.00 C ATOM 1019 CG ASP A 69 0.942 -13.999 -1.306 1.00 0.00 C ATOM 1020 OD1 ASP A 69 0.976 -14.362 -2.500 1.00 0.00 O ATOM 1021 OD2 ASP A 69 0.743 -12.817 -0.954 1.00 0.00 O ATOM 0 H ASP A 69 -1.382 -15.726 0.412 1.00 0.00 H new ATOM 0 HA ASP A 69 0.651 -16.689 -1.517 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.833 -14.644 0.732 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.220 -15.263 -0.143 1.00 0.00 H new ATOM 1026 N PRO A 70 1.860 -18.168 0.155 1.00 0.00 N ATOM 1027 CA PRO A 70 2.370 -19.240 1.014 1.00 0.00 C ATOM 1028 C PRO A 70 3.025 -18.705 2.283 1.00 0.00 C ATOM 1029 O PRO A 70 3.121 -19.409 3.288 1.00 0.00 O ATOM 1030 CB PRO A 70 3.408 -19.938 0.131 1.00 0.00 C ATOM 1031 CG PRO A 70 3.845 -18.894 -0.837 1.00 0.00 C ATOM 1032 CD PRO A 70 2.641 -18.028 -1.085 1.00 0.00 C ATOM 0 HA PRO A 70 1.573 -19.898 1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.247 -20.306 0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.977 -20.798 -0.382 1.00 0.00 H new ATOM 0 HG2 PRO A 70 4.670 -18.308 -0.433 1.00 0.00 H new ATOM 0 HG3 PRO A 70 4.199 -19.345 -1.764 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.923 -16.991 -1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.077 -18.363 -1.955 1.00 0.00 H new ATOM 1040 N SER A 71 3.474 -17.455 2.230 1.00 0.00 N ATOM 1041 CA SER A 71 4.123 -16.826 3.374 1.00 0.00 C ATOM 1042 C SER A 71 3.376 -17.147 4.666 1.00 0.00 C ATOM 1043 O SER A 71 3.979 -17.540 5.663 1.00 0.00 O ATOM 1044 CB SER A 71 4.196 -15.311 3.177 1.00 0.00 C ATOM 1045 OG SER A 71 2.903 -14.732 3.188 1.00 0.00 O ATOM 0 H SER A 71 3.400 -16.858 1.406 1.00 0.00 H new ATOM 0 HA SER A 71 5.135 -17.224 3.451 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.803 -14.867 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.690 -15.088 2.231 1.00 0.00 H new ATOM 0 HG SER A 71 2.977 -13.763 3.062 1.00 0.00 H new ATOM 1051 N GLY A 72 2.058 -16.975 4.638 1.00 0.00 N ATOM 1052 CA GLY A 72 1.250 -17.250 5.812 1.00 0.00 C ATOM 1053 C GLY A 72 1.633 -16.384 6.995 1.00 0.00 C ATOM 1054 O GLY A 72 2.649 -15.689 6.963 1.00 0.00 O ATOM 0 H GLY A 72 1.536 -16.650 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.199 -17.088 5.572 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.356 -18.300 6.085 1.00 0.00 H new ATOM 1058 N LYS A 73 0.817 -16.424 8.044 1.00 0.00 N ATOM 1059 CA LYS A 73 1.075 -15.637 9.244 1.00 0.00 C ATOM 1060 C LYS A 73 0.109 -16.018 10.362 1.00 0.00 C ATOM 1061 O LYS A 73 -0.980 -16.529 10.105 1.00 0.00 O ATOM 1062 CB LYS A 73 0.952 -14.143 8.936 1.00 0.00 C ATOM 1063 CG LYS A 73 -0.420 -13.739 8.424 1.00 0.00 C ATOM 1064 CD LYS A 73 -1.355 -13.371 9.564 1.00 0.00 C ATOM 1065 CE LYS A 73 -2.804 -13.676 9.216 1.00 0.00 C ATOM 1066 NZ LYS A 73 -3.302 -12.814 8.109 1.00 0.00 N ATOM 0 H LYS A 73 -0.028 -16.993 8.087 1.00 0.00 H new ATOM 0 HA LYS A 73 2.091 -15.850 9.577 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.176 -13.575 9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.702 -13.870 8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.321 -12.892 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.851 -14.559 7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.071 -13.922 10.461 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.250 -12.311 9.794 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.896 -14.724 8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.428 -13.531 10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.293 -13.053 7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.238 -11.815 8.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.723 -12.971 7.259 1.00 0.00 H new ATOM 1080 N GLU A 74 0.515 -15.763 11.601 1.00 0.00 N ATOM 1081 CA GLU A 74 -0.316 -16.079 12.757 1.00 0.00 C ATOM 1082 C GLU A 74 -0.502 -14.852 13.645 1.00 0.00 C ATOM 1083 O GLU A 74 0.449 -14.367 14.259 1.00 0.00 O ATOM 1084 CB GLU A 74 0.308 -17.218 13.566 1.00 0.00 C ATOM 1085 CG GLU A 74 -0.683 -17.945 14.458 1.00 0.00 C ATOM 1086 CD GLU A 74 -1.068 -17.138 15.683 1.00 0.00 C ATOM 1087 OE1 GLU A 74 -0.171 -16.830 16.496 1.00 0.00 O ATOM 1088 OE2 GLU A 74 -2.265 -16.813 15.828 1.00 0.00 O ATOM 0 H GLU A 74 1.414 -15.339 11.831 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.294 -16.395 12.394 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.760 -17.934 12.880 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.112 -16.816 14.183 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.580 -18.177 13.884 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.252 -18.895 14.774 1.00 0.00 H new ATOM 1095 N SER A 75 -1.733 -14.355 13.707 1.00 0.00 N ATOM 1096 CA SER A 75 -2.044 -13.182 14.516 1.00 0.00 C ATOM 1097 C SER A 75 -3.011 -13.539 15.641 1.00 0.00 C ATOM 1098 O SER A 75 -3.921 -14.347 15.460 1.00 0.00 O ATOM 1099 CB SER A 75 -2.644 -12.078 13.643 1.00 0.00 C ATOM 1100 OG SER A 75 -2.654 -10.837 14.326 1.00 0.00 O ATOM 0 H SER A 75 -2.531 -14.746 13.207 1.00 0.00 H new ATOM 0 HA SER A 75 -1.116 -12.820 14.959 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.068 -11.985 12.722 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.661 -12.348 13.358 1.00 0.00 H new ATOM 0 HG SER A 75 -3.040 -10.148 13.746 1.00 0.00 H new ATOM 1106 N GLY A 76 -2.807 -12.929 16.805 1.00 0.00 N ATOM 1107 CA GLY A 76 -3.667 -13.194 17.942 1.00 0.00 C ATOM 1108 C GLY A 76 -3.428 -12.230 19.088 1.00 0.00 C ATOM 1109 O GLY A 76 -2.907 -11.130 18.903 1.00 0.00 O ATOM 0 H GLY A 76 -2.061 -12.256 16.980 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.709 -13.129 17.628 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.501 -14.214 18.289 1.00 0.00 H new ATOM 1113 N PRO A 77 -3.815 -12.643 20.304 1.00 0.00 N ATOM 1114 CA PRO A 77 -3.651 -11.822 21.508 1.00 0.00 C ATOM 1115 C PRO A 77 -2.188 -11.678 21.915 1.00 0.00 C ATOM 1116 O PRO A 77 -1.441 -12.655 21.938 1.00 0.00 O ATOM 1117 CB PRO A 77 -4.429 -12.597 22.574 1.00 0.00 C ATOM 1118 CG PRO A 77 -4.418 -14.009 22.100 1.00 0.00 C ATOM 1119 CD PRO A 77 -4.443 -13.942 20.598 1.00 0.00 C ATOM 0 HA PRO A 77 -4.007 -10.802 21.359 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.959 -12.504 23.553 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.447 -12.221 22.673 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -3.529 -14.532 22.453 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.281 -14.555 22.481 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.889 -14.767 20.150 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.460 -13.993 20.210 1.00 0.00 H new ATOM 1127 N SER A 78 -1.787 -10.452 22.236 1.00 0.00 N ATOM 1128 CA SER A 78 -0.412 -10.179 22.640 1.00 0.00 C ATOM 1129 C SER A 78 0.529 -10.242 21.441 1.00 0.00 C ATOM 1130 O SER A 78 1.676 -10.670 21.560 1.00 0.00 O ATOM 1131 CB SER A 78 0.036 -11.179 23.707 1.00 0.00 C ATOM 1132 OG SER A 78 1.198 -10.722 24.378 1.00 0.00 O ATOM 0 H SER A 78 -2.394 -9.632 22.224 1.00 0.00 H new ATOM 0 HA SER A 78 -0.375 -9.172 23.057 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.768 -11.331 24.427 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.236 -12.145 23.244 1.00 0.00 H new ATOM 0 HG SER A 78 1.894 -10.513 23.721 1.00 0.00 H new ATOM 1138 N SER A 79 0.033 -9.811 20.285 1.00 0.00 N ATOM 1139 CA SER A 79 0.827 -9.821 19.062 1.00 0.00 C ATOM 1140 C SER A 79 2.272 -9.426 19.349 1.00 0.00 C ATOM 1141 O SER A 79 2.533 -8.473 20.082 1.00 0.00 O ATOM 1142 CB SER A 79 0.222 -8.870 18.027 1.00 0.00 C ATOM 1143 OG SER A 79 -1.158 -9.134 17.838 1.00 0.00 O ATOM 0 H SER A 79 -0.914 -9.451 20.170 1.00 0.00 H new ATOM 0 HA SER A 79 0.818 -10.835 18.662 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.357 -7.839 18.353 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.749 -8.976 17.079 1.00 0.00 H new ATOM 0 HG SER A 79 -1.401 -9.959 18.309 1.00 0.00 H new ATOM 1149 N GLY A 80 3.209 -10.166 18.764 1.00 0.00 N ATOM 1150 CA GLY A 80 4.617 -9.878 18.968 1.00 0.00 C ATOM 1151 C GLY A 80 5.484 -11.116 18.857 1.00 0.00 C ATOM 1152 O GLY A 80 5.948 -11.649 19.865 1.00 0.00 O ATOM 0 H GLY A 80 3.018 -10.960 18.152 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.944 -9.142 18.234 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.754 -9.429 19.952 1.00 0.00 H new TER 1156 GLY A 80