USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 486 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= -0.0649 (180deg=-0.617) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc=-0.00624 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.403 X(o=-0.4,f=-0.21) USER MOD Single : A 17 MET CE :methyl 167:sc= 0 (180deg=-0.138) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.107 K(o=-0.11,f=-2.4!) USER MOD Single : A 35 HIS : no HD1:sc= -0.0473 X(o=-0.047,f=-0.0024) USER MOD Single : A 36 SER OG : rot -31:sc= 0.00757 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.335 X(o=-0.33,f=-0.11) USER MOD Single : A 63 HIS : no HD1:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 64 HIS : no HD1:sc=-0.00682 X(o=-0.0068,f=-0.0068) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -5.15! C(o=-6.3!,f=-5.1!) USER MOD Single : A 66 GLN : amide:sc= -0.32 K(o=-0.32,f=-2.6!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.199 USER MOD Single : A 74 HIS : no HD1:sc= -1.11 X(o=-1.1,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -39.584 19.782 44.961 1.00 0.00 N ATOM 2 CA MET A 1 -40.126 20.291 43.712 1.00 0.00 C ATOM 3 C MET A 1 -41.349 19.482 43.275 1.00 0.00 C ATOM 4 O MET A 1 -41.474 18.306 43.615 1.00 0.00 O ATOM 5 CB MET A 1 -39.053 20.223 42.624 1.00 0.00 C ATOM 6 CG MET A 1 -38.678 18.772 42.315 1.00 0.00 C ATOM 7 SD MET A 1 -36.909 18.627 42.121 1.00 0.00 S ATOM 8 CE MET A 1 -36.823 18.153 40.402 1.00 0.00 C ATOM 0 H1 MET A 1 -38.549 19.715 44.889 1.00 0.00 H new ATOM 0 H2 MET A 1 -39.836 20.427 45.737 1.00 0.00 H new ATOM 0 H3 MET A 1 -39.979 18.839 45.152 1.00 0.00 H new ATOM 0 HA MET A 1 -40.434 21.325 43.866 1.00 0.00 H new ATOM 0 HB2 MET A 1 -39.416 20.709 41.719 1.00 0.00 H new ATOM 0 HB3 MET A 1 -38.167 20.771 42.947 1.00 0.00 H new ATOM 0 HG2 MET A 1 -39.019 18.120 43.120 1.00 0.00 H new ATOM 0 HG3 MET A 1 -39.180 18.444 41.405 1.00 0.00 H new ATOM 0 HE1 MET A 1 -35.780 18.020 40.113 1.00 0.00 H new ATOM 0 HE2 MET A 1 -37.363 17.217 40.255 1.00 0.00 H new ATOM 0 HE3 MET A 1 -37.273 18.932 39.787 1.00 0.00 H new ATOM 18 N GLU A 2 -42.220 20.144 42.528 1.00 0.00 N ATOM 19 CA GLU A 2 -43.429 19.501 42.041 1.00 0.00 C ATOM 20 C GLU A 2 -43.122 18.075 41.580 1.00 0.00 C ATOM 21 O GLU A 2 -42.004 17.780 41.161 1.00 0.00 O ATOM 22 CB GLU A 2 -44.067 20.316 40.914 1.00 0.00 C ATOM 23 CG GLU A 2 -45.313 21.053 41.409 1.00 0.00 C ATOM 24 CD GLU A 2 -45.806 22.058 40.365 1.00 0.00 C ATOM 25 OE1 GLU A 2 -44.994 22.782 39.770 1.00 0.00 O ATOM 26 OE2 GLU A 2 -47.083 22.071 40.181 1.00 0.00 O ATOM 0 H GLU A 2 -42.113 21.119 42.248 1.00 0.00 H new ATOM 0 HA GLU A 2 -44.146 19.451 42.860 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -43.345 21.035 40.526 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -44.334 19.656 40.089 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -46.102 20.334 41.628 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -45.087 21.572 42.341 1.00 0.00 H new ATOM 34 N VAL A 3 -44.136 17.226 41.673 1.00 0.00 N ATOM 35 CA VAL A 3 -43.989 15.838 41.271 1.00 0.00 C ATOM 36 C VAL A 3 -44.953 15.539 40.122 1.00 0.00 C ATOM 37 O VAL A 3 -45.943 16.245 39.938 1.00 0.00 O ATOM 38 CB VAL A 3 -44.193 14.919 42.477 1.00 0.00 C ATOM 39 CG1 VAL A 3 -43.891 13.464 42.116 1.00 0.00 C ATOM 40 CG2 VAL A 3 -43.345 15.377 43.666 1.00 0.00 C ATOM 0 H VAL A 3 -45.062 17.473 42.021 1.00 0.00 H new ATOM 0 HA VAL A 3 -42.979 15.652 40.905 1.00 0.00 H new ATOM 0 HB VAL A 3 -45.241 14.980 42.770 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -44.044 12.833 42.991 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -44.557 13.142 41.315 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -42.856 13.379 41.784 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -43.509 14.707 44.510 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -42.291 15.361 43.389 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -43.630 16.391 43.947 1.00 0.00 H new ATOM 50 N ALA A 4 -44.630 14.491 39.378 1.00 0.00 N ATOM 51 CA ALA A 4 -45.456 14.090 38.251 1.00 0.00 C ATOM 52 C ALA A 4 -46.759 13.480 38.771 1.00 0.00 C ATOM 53 O ALA A 4 -46.856 12.265 38.940 1.00 0.00 O ATOM 54 CB ALA A 4 -44.672 13.122 37.363 1.00 0.00 C ATOM 0 H ALA A 4 -43.808 13.907 39.533 1.00 0.00 H new ATOM 0 HA ALA A 4 -45.718 14.954 37.640 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -45.291 12.821 36.518 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -43.771 13.613 36.996 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -44.395 12.241 37.942 1.00 0.00 H new ATOM 60 N MET A 5 -47.729 14.351 39.011 1.00 0.00 N ATOM 61 CA MET A 5 -49.022 13.912 39.508 1.00 0.00 C ATOM 62 C MET A 5 -50.081 13.969 38.406 1.00 0.00 C ATOM 63 O MET A 5 -50.415 15.046 37.915 1.00 0.00 O ATOM 64 CB MET A 5 -49.450 14.806 40.674 1.00 0.00 C ATOM 65 CG MET A 5 -50.718 14.268 41.340 1.00 0.00 C ATOM 66 SD MET A 5 -51.486 15.550 42.316 1.00 0.00 S ATOM 67 CE MET A 5 -50.679 15.271 43.884 1.00 0.00 C ATOM 0 H MET A 5 -47.645 15.358 38.871 1.00 0.00 H new ATOM 0 HA MET A 5 -48.930 12.879 39.844 1.00 0.00 H new ATOM 0 HB2 MET A 5 -48.646 14.863 41.408 1.00 0.00 H new ATOM 0 HB3 MET A 5 -49.626 15.820 40.314 1.00 0.00 H new ATOM 0 HG2 MET A 5 -51.414 13.911 40.581 1.00 0.00 H new ATOM 0 HG3 MET A 5 -50.472 13.415 41.973 1.00 0.00 H new ATOM 0 HE1 MET A 5 -51.045 15.992 44.615 1.00 0.00 H new ATOM 0 HE2 MET A 5 -50.896 14.261 44.230 1.00 0.00 H new ATOM 0 HE3 MET A 5 -49.602 15.390 43.765 1.00 0.00 H new ATOM 77 N VAL A 6 -50.579 12.794 38.047 1.00 0.00 N ATOM 78 CA VAL A 6 -51.593 12.696 37.012 1.00 0.00 C ATOM 79 C VAL A 6 -52.840 13.467 37.450 1.00 0.00 C ATOM 80 O VAL A 6 -52.950 13.870 38.607 1.00 0.00 O ATOM 81 CB VAL A 6 -51.879 11.226 36.697 1.00 0.00 C ATOM 82 CG1 VAL A 6 -52.846 11.096 35.519 1.00 0.00 C ATOM 83 CG2 VAL A 6 -50.582 10.460 36.430 1.00 0.00 C ATOM 0 H VAL A 6 -50.299 11.902 38.455 1.00 0.00 H new ATOM 0 HA VAL A 6 -51.239 13.150 36.087 1.00 0.00 H new ATOM 0 HB VAL A 6 -52.355 10.782 37.571 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -53.032 10.041 35.316 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -53.786 11.590 35.764 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -52.409 11.564 34.637 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -50.814 9.418 36.209 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -50.065 10.905 35.580 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -49.942 10.510 37.311 1.00 0.00 H new ATOM 93 N SER A 7 -53.748 13.649 36.502 1.00 0.00 N ATOM 94 CA SER A 7 -54.982 14.364 36.776 1.00 0.00 C ATOM 95 C SER A 7 -56.177 13.567 36.249 1.00 0.00 C ATOM 96 O SER A 7 -56.036 12.403 35.877 1.00 0.00 O ATOM 97 CB SER A 7 -54.959 15.761 36.152 1.00 0.00 C ATOM 98 OG SER A 7 -53.790 16.489 36.516 1.00 0.00 O ATOM 0 H SER A 7 -53.653 13.313 35.543 1.00 0.00 H new ATOM 0 HA SER A 7 -55.078 14.479 37.856 1.00 0.00 H new ATOM 0 HB2 SER A 7 -55.009 15.674 35.067 1.00 0.00 H new ATOM 0 HB3 SER A 7 -55.844 16.314 36.468 1.00 0.00 H new ATOM 0 HG SER A 7 -53.812 17.374 36.096 1.00 0.00 H new ATOM 104 N ALA A 8 -57.327 14.226 36.233 1.00 0.00 N ATOM 105 CA ALA A 8 -58.545 13.593 35.758 1.00 0.00 C ATOM 106 C ALA A 8 -58.377 13.215 34.285 1.00 0.00 C ATOM 107 O ALA A 8 -57.398 12.569 33.914 1.00 0.00 O ATOM 108 CB ALA A 8 -59.731 14.533 35.986 1.00 0.00 C ATOM 0 H ALA A 8 -57.440 15.192 36.541 1.00 0.00 H new ATOM 0 HA ALA A 8 -58.743 12.676 36.314 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -60.645 14.058 35.630 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -59.825 14.748 37.050 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -59.569 15.463 35.441 1.00 0.00 H new ATOM 114 N GLU A 9 -59.347 13.633 33.485 1.00 0.00 N ATOM 115 CA GLU A 9 -59.319 13.346 32.061 1.00 0.00 C ATOM 116 C GLU A 9 -57.928 13.628 31.490 1.00 0.00 C ATOM 117 O GLU A 9 -57.115 14.297 32.127 1.00 0.00 O ATOM 118 CB GLU A 9 -60.389 14.149 31.318 1.00 0.00 C ATOM 119 CG GLU A 9 -61.589 13.267 30.965 1.00 0.00 C ATOM 120 CD GLU A 9 -62.406 12.927 32.213 1.00 0.00 C ATOM 121 OE1 GLU A 9 -62.423 13.709 33.175 1.00 0.00 O ATOM 122 OE2 GLU A 9 -63.039 11.804 32.160 1.00 0.00 O ATOM 0 H GLU A 9 -60.158 14.168 33.796 1.00 0.00 H new ATOM 0 HA GLU A 9 -59.542 12.288 31.919 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -60.717 14.985 31.936 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -59.964 14.573 30.408 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -62.221 13.780 30.241 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -61.243 12.348 30.491 1.00 0.00 H new ATOM 130 N SER A 10 -57.695 13.104 30.296 1.00 0.00 N ATOM 131 CA SER A 10 -56.416 13.291 29.632 1.00 0.00 C ATOM 132 C SER A 10 -55.305 12.617 30.439 1.00 0.00 C ATOM 133 O SER A 10 -54.887 13.130 31.476 1.00 0.00 O ATOM 134 CB SER A 10 -56.107 14.777 29.441 1.00 0.00 C ATOM 135 OG SER A 10 -55.966 15.120 28.065 1.00 0.00 O ATOM 0 H SER A 10 -58.371 12.549 29.771 1.00 0.00 H new ATOM 0 HA SER A 10 -56.471 12.830 28.646 1.00 0.00 H new ATOM 0 HB2 SER A 10 -56.905 15.373 29.883 1.00 0.00 H new ATOM 0 HB3 SER A 10 -55.189 15.028 29.973 1.00 0.00 H new ATOM 0 HG SER A 10 -55.771 16.077 27.985 1.00 0.00 H new ATOM 141 N SER A 11 -54.857 11.477 29.932 1.00 0.00 N ATOM 142 CA SER A 11 -53.802 10.728 30.593 1.00 0.00 C ATOM 143 C SER A 11 -52.434 11.257 30.158 1.00 0.00 C ATOM 144 O SER A 11 -52.253 11.650 29.007 1.00 0.00 O ATOM 145 CB SER A 11 -53.914 9.233 30.288 1.00 0.00 C ATOM 146 OG SER A 11 -55.221 8.731 30.553 1.00 0.00 O ATOM 0 H SER A 11 -55.206 11.054 29.072 1.00 0.00 H new ATOM 0 HA SER A 11 -53.911 10.861 31.669 1.00 0.00 H new ATOM 0 HB2 SER A 11 -53.663 9.056 29.242 1.00 0.00 H new ATOM 0 HB3 SER A 11 -53.187 8.685 30.887 1.00 0.00 H new ATOM 0 HG SER A 11 -55.252 7.774 30.344 1.00 0.00 H new ATOM 152 N GLY A 12 -51.505 11.251 31.103 1.00 0.00 N ATOM 153 CA GLY A 12 -50.158 11.725 30.832 1.00 0.00 C ATOM 154 C GLY A 12 -49.652 11.199 29.488 1.00 0.00 C ATOM 155 O GLY A 12 -49.610 11.937 28.505 1.00 0.00 O ATOM 0 H GLY A 12 -51.659 10.925 32.057 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -50.146 12.815 30.828 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -49.488 11.402 31.629 1.00 0.00 H new ATOM 159 N CYS A 13 -49.279 9.928 29.488 1.00 0.00 N ATOM 160 CA CYS A 13 -48.777 9.294 28.281 1.00 0.00 C ATOM 161 C CYS A 13 -48.743 7.782 28.510 1.00 0.00 C ATOM 162 O CYS A 13 -47.670 7.183 28.564 1.00 0.00 O ATOM 163 CB CYS A 13 -47.405 9.843 27.883 1.00 0.00 C ATOM 164 SG CYS A 13 -46.942 9.226 26.224 1.00 0.00 S ATOM 0 H CYS A 13 -49.314 9.319 30.306 1.00 0.00 H new ATOM 0 HA CYS A 13 -49.441 9.518 27.446 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -47.427 10.933 27.882 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -46.656 9.540 28.615 1.00 0.00 H new ATOM 0 HG CYS A 13 -45.777 9.699 25.895 1.00 0.00 H new ATOM 170 N ASN A 14 -49.930 7.208 28.638 1.00 0.00 N ATOM 171 CA ASN A 14 -50.049 5.777 28.860 1.00 0.00 C ATOM 172 C ASN A 14 -50.230 5.070 27.515 1.00 0.00 C ATOM 173 O ASN A 14 -50.781 3.972 27.456 1.00 0.00 O ATOM 174 CB ASN A 14 -51.265 5.454 29.731 1.00 0.00 C ATOM 175 CG ASN A 14 -50.834 4.962 31.114 1.00 0.00 C ATOM 176 OD1 ASN A 14 -50.566 5.733 32.020 1.00 0.00 O ATOM 177 ND2 ASN A 14 -50.782 3.637 31.224 1.00 0.00 N ATOM 0 H ASN A 14 -50.818 7.708 28.592 1.00 0.00 H new ATOM 0 HA ASN A 14 -49.144 5.437 29.364 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -51.888 6.342 29.835 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -51.874 4.692 29.244 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -50.505 3.209 32.107 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -51.020 3.049 30.425 1.00 0.00 H new ATOM 184 N SER A 15 -49.755 5.729 26.468 1.00 0.00 N ATOM 185 CA SER A 15 -49.857 5.177 25.128 1.00 0.00 C ATOM 186 C SER A 15 -48.771 5.775 24.232 1.00 0.00 C ATOM 187 O SER A 15 -49.023 6.731 23.499 1.00 0.00 O ATOM 188 CB SER A 15 -51.241 5.436 24.530 1.00 0.00 C ATOM 189 OG SER A 15 -51.821 4.250 23.994 1.00 0.00 O ATOM 0 H SER A 15 -49.299 6.640 26.521 1.00 0.00 H new ATOM 0 HA SER A 15 -49.714 4.098 25.190 1.00 0.00 H new ATOM 0 HB2 SER A 15 -51.897 5.845 25.298 1.00 0.00 H new ATOM 0 HB3 SER A 15 -51.162 6.188 23.745 1.00 0.00 H new ATOM 0 HG SER A 15 -52.704 4.457 23.623 1.00 0.00 H new ATOM 195 N HIS A 16 -47.587 5.188 24.319 1.00 0.00 N ATOM 196 CA HIS A 16 -46.461 5.651 23.525 1.00 0.00 C ATOM 197 C HIS A 16 -45.861 4.476 22.751 1.00 0.00 C ATOM 198 O HIS A 16 -44.702 4.120 22.956 1.00 0.00 O ATOM 199 CB HIS A 16 -45.435 6.369 24.404 1.00 0.00 C ATOM 200 CG HIS A 16 -44.895 7.644 23.801 1.00 0.00 C ATOM 201 ND1 HIS A 16 -43.663 8.172 24.144 1.00 0.00 N ATOM 202 CD2 HIS A 16 -45.432 8.489 22.875 1.00 0.00 C ATOM 203 CE1 HIS A 16 -43.477 9.285 23.451 1.00 0.00 C ATOM 204 NE2 HIS A 16 -44.575 9.480 22.665 1.00 0.00 N ATOM 0 H HIS A 16 -47.382 4.395 24.927 1.00 0.00 H new ATOM 0 HA HIS A 16 -46.803 6.384 22.795 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -45.894 6.600 25.366 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -44.604 5.692 24.601 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -46.392 8.372 22.394 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -42.609 9.926 23.499 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -44.714 10.259 22.022 1.00 0.00 H new ATOM 212 N MET A 17 -46.678 3.905 21.877 1.00 0.00 N ATOM 213 CA MET A 17 -46.242 2.778 21.072 1.00 0.00 C ATOM 214 C MET A 17 -44.933 3.096 20.346 1.00 0.00 C ATOM 215 O MET A 17 -44.613 4.261 20.118 1.00 0.00 O ATOM 216 CB MET A 17 -47.324 2.434 20.046 1.00 0.00 C ATOM 217 CG MET A 17 -48.282 1.374 20.595 1.00 0.00 C ATOM 218 SD MET A 17 -49.418 0.859 19.318 1.00 0.00 S ATOM 219 CE MET A 17 -48.378 -0.280 18.419 1.00 0.00 C ATOM 0 H MET A 17 -47.639 4.202 21.709 1.00 0.00 H new ATOM 0 HA MET A 17 -46.072 1.928 21.733 1.00 0.00 H new ATOM 0 HB2 MET A 17 -47.882 3.333 19.785 1.00 0.00 H new ATOM 0 HB3 MET A 17 -46.859 2.070 19.130 1.00 0.00 H new ATOM 0 HG2 MET A 17 -47.718 0.516 20.959 1.00 0.00 H new ATOM 0 HG3 MET A 17 -48.834 1.776 21.444 1.00 0.00 H new ATOM 0 HE1 MET A 17 -48.989 -0.866 17.732 1.00 0.00 H new ATOM 0 HE2 MET A 17 -47.631 0.278 17.855 1.00 0.00 H new ATOM 0 HE3 MET A 17 -47.879 -0.948 19.121 1.00 0.00 H new ATOM 229 N PRO A 18 -44.193 2.011 19.993 1.00 0.00 N ATOM 230 CA PRO A 18 -42.926 2.163 19.298 1.00 0.00 C ATOM 231 C PRO A 18 -43.148 2.531 17.829 1.00 0.00 C ATOM 232 O PRO A 18 -44.238 2.338 17.295 1.00 0.00 O ATOM 233 CB PRO A 18 -42.217 0.830 19.475 1.00 0.00 C ATOM 234 CG PRO A 18 -43.297 -0.169 19.859 1.00 0.00 C ATOM 235 CD PRO A 18 -44.540 0.616 20.247 1.00 0.00 C ATOM 0 HA PRO A 18 -42.321 2.977 19.699 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -41.716 0.529 18.555 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -41.452 0.894 20.248 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -43.512 -0.838 19.026 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -42.964 -0.791 20.689 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -45.403 0.309 19.656 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -44.798 0.457 21.294 1.00 0.00 H new ATOM 243 N TYR A 19 -42.095 3.057 17.219 1.00 0.00 N ATOM 244 CA TYR A 19 -42.161 3.454 15.823 1.00 0.00 C ATOM 245 C TYR A 19 -42.336 2.236 14.914 1.00 0.00 C ATOM 246 O TYR A 19 -41.870 1.145 15.236 1.00 0.00 O ATOM 247 CB TYR A 19 -40.820 4.121 15.511 1.00 0.00 C ATOM 248 CG TYR A 19 -40.637 5.490 16.170 1.00 0.00 C ATOM 249 CD1 TYR A 19 -41.491 6.527 15.856 1.00 0.00 C ATOM 250 CD2 TYR A 19 -39.618 5.686 17.080 1.00 0.00 C ATOM 251 CE1 TYR A 19 -41.319 7.815 16.476 1.00 0.00 C ATOM 252 CE2 TYR A 19 -39.446 6.974 17.700 1.00 0.00 C ATOM 253 CZ TYR A 19 -40.305 7.975 17.368 1.00 0.00 C ATOM 254 OH TYR A 19 -40.142 9.191 17.954 1.00 0.00 O ATOM 0 H TYR A 19 -41.192 3.217 17.666 1.00 0.00 H new ATOM 0 HA TYR A 19 -43.008 4.118 15.652 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -40.014 3.463 15.835 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -40.724 4.233 14.431 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -42.289 6.373 15.145 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -38.950 4.874 17.327 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -41.980 8.635 16.238 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -38.652 7.142 18.413 1.00 0.00 H new ATOM 0 HH TYR A 19 -39.380 9.158 18.569 1.00 0.00 H new ATOM 264 N GLY A 20 -43.008 2.465 13.795 1.00 0.00 N ATOM 265 CA GLY A 20 -43.249 1.399 12.836 1.00 0.00 C ATOM 266 C GLY A 20 -42.096 1.290 11.836 1.00 0.00 C ATOM 267 O GLY A 20 -41.013 0.821 12.182 1.00 0.00 O ATOM 0 H GLY A 20 -43.393 3.372 13.531 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -43.369 0.452 13.362 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -44.181 1.588 12.303 1.00 0.00 H new ATOM 271 N TYR A 21 -42.369 1.730 10.617 1.00 0.00 N ATOM 272 CA TYR A 21 -41.369 1.687 9.564 1.00 0.00 C ATOM 273 C TYR A 21 -40.112 2.460 9.971 1.00 0.00 C ATOM 274 O TYR A 21 -39.047 2.273 9.384 1.00 0.00 O ATOM 275 CB TYR A 21 -42.003 2.369 8.351 1.00 0.00 C ATOM 276 CG TYR A 21 -42.475 3.800 8.618 1.00 0.00 C ATOM 277 CD1 TYR A 21 -41.599 4.856 8.465 1.00 0.00 C ATOM 278 CD2 TYR A 21 -43.776 4.035 9.013 1.00 0.00 C ATOM 279 CE1 TYR A 21 -42.043 6.202 8.716 1.00 0.00 C ATOM 280 CE2 TYR A 21 -44.220 5.382 9.264 1.00 0.00 C ATOM 281 CZ TYR A 21 -43.332 6.399 9.104 1.00 0.00 C ATOM 282 OH TYR A 21 -43.751 7.671 9.341 1.00 0.00 O ATOM 0 H TYR A 21 -43.269 2.118 10.335 1.00 0.00 H new ATOM 0 HA TYR A 21 -41.073 0.658 9.357 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -41.280 2.382 7.535 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -42.852 1.774 8.015 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -40.580 4.672 8.157 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -44.461 3.209 9.134 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -41.368 7.037 8.599 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -45.236 5.580 9.573 1.00 0.00 H new ATOM 0 HH TYR A 21 -44.694 7.660 9.609 1.00 0.00 H new ATOM 292 N ALA A 22 -40.278 3.311 10.972 1.00 0.00 N ATOM 293 CA ALA A 22 -39.171 4.113 11.464 1.00 0.00 C ATOM 294 C ALA A 22 -38.461 3.359 12.590 1.00 0.00 C ATOM 295 O ALA A 22 -37.958 3.970 13.531 1.00 0.00 O ATOM 296 CB ALA A 22 -39.690 5.480 11.915 1.00 0.00 C ATOM 0 H ALA A 22 -41.163 3.463 11.456 1.00 0.00 H new ATOM 0 HA ALA A 22 -38.442 4.286 10.672 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -38.859 6.081 12.284 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -40.159 5.988 11.072 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -40.423 5.347 12.711 1.00 0.00 H new ATOM 302 N ALA A 23 -38.443 2.041 12.456 1.00 0.00 N ATOM 303 CA ALA A 23 -37.803 1.196 13.451 1.00 0.00 C ATOM 304 C ALA A 23 -36.335 0.991 13.071 1.00 0.00 C ATOM 305 O ALA A 23 -35.569 0.404 13.834 1.00 0.00 O ATOM 306 CB ALA A 23 -38.565 -0.125 13.566 1.00 0.00 C ATOM 0 H ALA A 23 -38.861 1.537 11.674 1.00 0.00 H new ATOM 0 HA ALA A 23 -37.827 1.672 14.431 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.085 -0.758 14.312 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.594 0.073 13.866 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.560 -0.633 12.602 1.00 0.00 H new ATOM 312 N GLN A 24 -35.987 1.487 11.892 1.00 0.00 N ATOM 313 CA GLN A 24 -34.624 1.365 11.402 1.00 0.00 C ATOM 314 C GLN A 24 -33.739 2.449 12.022 1.00 0.00 C ATOM 315 O GLN A 24 -32.538 2.499 11.759 1.00 0.00 O ATOM 316 CB GLN A 24 -34.584 1.431 9.874 1.00 0.00 C ATOM 317 CG GLN A 24 -34.615 0.029 9.264 1.00 0.00 C ATOM 318 CD GLN A 24 -36.052 -0.406 8.964 1.00 0.00 C ATOM 319 OE1 GLN A 24 -37.009 0.308 9.215 1.00 0.00 O ATOM 320 NE2 GLN A 24 -36.148 -1.614 8.416 1.00 0.00 N ATOM 0 H GLN A 24 -36.625 1.974 11.262 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.235 0.391 11.701 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.433 2.009 9.509 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -33.682 1.952 9.552 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -34.028 0.015 8.346 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -34.152 -0.680 9.950 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -35.306 -2.159 8.232 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -37.064 -1.995 8.179 1.00 0.00 H new ATOM 329 N ALA A 25 -34.366 3.288 12.833 1.00 0.00 N ATOM 330 CA ALA A 25 -33.650 4.367 13.492 1.00 0.00 C ATOM 331 C ALA A 25 -32.562 3.777 14.391 1.00 0.00 C ATOM 332 O ALA A 25 -31.607 4.465 14.749 1.00 0.00 O ATOM 333 CB ALA A 25 -34.640 5.237 14.269 1.00 0.00 C ATOM 0 H ALA A 25 -35.362 3.243 13.049 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.160 5.007 12.758 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.103 6.046 14.763 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.374 5.656 13.581 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.149 4.629 15.017 1.00 0.00 H new ATOM 339 N ARG A 26 -32.742 2.509 14.730 1.00 0.00 N ATOM 340 CA ARG A 26 -31.788 1.818 15.580 1.00 0.00 C ATOM 341 C ARG A 26 -30.498 1.534 14.808 1.00 0.00 C ATOM 342 O ARG A 26 -29.415 1.502 15.391 1.00 0.00 O ATOM 343 CB ARG A 26 -32.365 0.500 16.099 1.00 0.00 C ATOM 344 CG ARG A 26 -31.963 0.260 17.555 1.00 0.00 C ATOM 345 CD ARG A 26 -32.514 -1.073 18.064 1.00 0.00 C ATOM 346 NE ARG A 26 -32.309 -1.181 19.526 1.00 0.00 N ATOM 347 CZ ARG A 26 -33.003 -2.017 20.328 1.00 0.00 C ATOM 348 NH1 ARG A 26 -33.953 -2.827 19.815 1.00 0.00 N ATOM 349 NH2 ARG A 26 -32.737 -2.031 21.621 1.00 0.00 N ATOM 0 H ARG A 26 -33.535 1.942 14.431 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.572 2.465 16.430 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.452 0.517 16.016 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.011 -0.325 15.480 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -30.876 0.265 17.641 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -32.336 1.073 18.178 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -33.576 -1.150 17.831 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -32.016 -1.899 17.557 1.00 0.00 H new ATOM 0 HE ARG A 26 -31.599 -0.587 19.954 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -34.151 -2.811 18.815 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -34.473 -3.455 20.428 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -32.017 -1.416 22.000 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -33.252 -2.656 22.241 1.00 0.00 H new ATOM 362 N ALA A 27 -30.656 1.333 13.508 1.00 0.00 N ATOM 363 CA ALA A 27 -29.518 1.052 12.650 1.00 0.00 C ATOM 364 C ALA A 27 -28.663 2.314 12.514 1.00 0.00 C ATOM 365 O ALA A 27 -27.447 2.229 12.354 1.00 0.00 O ATOM 366 CB ALA A 27 -30.013 0.535 11.298 1.00 0.00 C ATOM 0 H ALA A 27 -31.556 1.359 13.028 1.00 0.00 H new ATOM 0 HA ALA A 27 -28.891 0.275 13.087 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.159 0.324 10.654 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.590 -0.378 11.447 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.644 1.290 10.829 1.00 0.00 H new ATOM 372 N ARG A 28 -29.334 3.454 12.584 1.00 0.00 N ATOM 373 CA ARG A 28 -28.651 4.732 12.470 1.00 0.00 C ATOM 374 C ARG A 28 -27.646 4.899 13.612 1.00 0.00 C ATOM 375 O ARG A 28 -26.615 5.550 13.445 1.00 0.00 O ATOM 376 CB ARG A 28 -29.647 5.893 12.502 1.00 0.00 C ATOM 377 CG ARG A 28 -29.346 6.904 11.394 1.00 0.00 C ATOM 378 CD ARG A 28 -30.530 7.035 10.435 1.00 0.00 C ATOM 379 NE ARG A 28 -30.085 7.642 9.161 1.00 0.00 N ATOM 380 CZ ARG A 28 -29.540 6.946 8.140 1.00 0.00 C ATOM 381 NH1 ARG A 28 -29.367 5.611 8.237 1.00 0.00 N ATOM 382 NH2 ARG A 28 -29.177 7.591 7.047 1.00 0.00 N ATOM 0 H ARG A 28 -30.343 3.520 12.718 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.127 4.745 11.515 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.661 5.510 12.385 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.603 6.388 13.472 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -29.121 7.875 11.834 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -28.460 6.591 10.842 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -30.966 6.054 10.247 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -31.309 7.649 10.887 1.00 0.00 H new ATOM 0 HE ARG A 28 -30.197 8.649 9.047 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -29.649 5.121 9.086 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -28.955 5.092 7.461 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -29.310 8.600 6.983 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -28.764 7.080 6.267 1.00 0.00 H new ATOM 395 N GLU A 29 -27.981 4.301 14.745 1.00 0.00 N ATOM 396 CA GLU A 29 -27.121 4.376 15.914 1.00 0.00 C ATOM 397 C GLU A 29 -25.987 3.354 15.805 1.00 0.00 C ATOM 398 O GLU A 29 -24.925 3.534 16.399 1.00 0.00 O ATOM 399 CB GLU A 29 -27.924 4.169 17.200 1.00 0.00 C ATOM 400 CG GLU A 29 -27.508 5.176 18.274 1.00 0.00 C ATOM 401 CD GLU A 29 -28.724 5.677 19.056 1.00 0.00 C ATOM 402 OE1 GLU A 29 -29.771 5.963 18.456 1.00 0.00 O ATOM 403 OE2 GLU A 29 -28.554 5.765 20.331 1.00 0.00 O ATOM 0 H GLU A 29 -28.837 3.762 14.879 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.683 5.373 15.955 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -28.988 4.275 16.990 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -27.772 3.155 17.569 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -26.798 4.711 18.958 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -26.998 6.019 17.809 1.00 0.00 H new ATOM 411 N ARG A 30 -26.251 2.305 15.041 1.00 0.00 N ATOM 412 CA ARG A 30 -25.266 1.254 14.846 1.00 0.00 C ATOM 413 C ARG A 30 -24.389 1.568 13.632 1.00 0.00 C ATOM 414 O ARG A 30 -23.230 1.161 13.577 1.00 0.00 O ATOM 415 CB ARG A 30 -25.942 -0.103 14.642 1.00 0.00 C ATOM 416 CG ARG A 30 -26.027 -0.876 15.959 1.00 0.00 C ATOM 417 CD ARG A 30 -27.377 -0.648 16.642 1.00 0.00 C ATOM 418 NE ARG A 30 -27.209 0.245 17.810 1.00 0.00 N ATOM 419 CZ ARG A 30 -26.887 -0.182 19.050 1.00 0.00 C ATOM 420 NH1 ARG A 30 -26.696 -1.496 19.293 1.00 0.00 N ATOM 421 NH2 ARG A 30 -26.763 0.704 20.020 1.00 0.00 N ATOM 0 H ARG A 30 -27.133 2.160 14.549 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.648 1.207 15.743 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -26.943 0.043 14.236 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.383 -0.685 13.910 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.886 -1.940 15.770 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -25.222 -0.561 16.623 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -28.081 -0.208 15.936 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -27.798 -1.601 16.960 1.00 0.00 H new ATOM 0 HE ARG A 30 -27.345 1.246 17.670 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -26.795 -2.174 18.537 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -26.453 -1.811 20.232 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -26.910 1.695 19.828 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -26.520 0.398 20.962 1.00 0.00 H new ATOM 434 N GLU A 31 -24.977 2.288 12.687 1.00 0.00 N ATOM 435 CA GLU A 31 -24.264 2.660 11.477 1.00 0.00 C ATOM 436 C GLU A 31 -23.075 3.561 11.818 1.00 0.00 C ATOM 437 O GLU A 31 -22.089 3.598 11.084 1.00 0.00 O ATOM 438 CB GLU A 31 -25.200 3.342 10.477 1.00 0.00 C ATOM 439 CG GLU A 31 -25.261 2.560 9.163 1.00 0.00 C ATOM 440 CD GLU A 31 -26.590 2.800 8.444 1.00 0.00 C ATOM 441 OE1 GLU A 31 -26.963 3.958 8.202 1.00 0.00 O ATOM 442 OE2 GLU A 31 -27.243 1.732 8.134 1.00 0.00 O ATOM 0 H GLU A 31 -25.939 2.623 12.735 1.00 0.00 H new ATOM 0 HA GLU A 31 -23.884 1.752 11.008 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.200 3.421 10.904 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -24.855 4.358 10.284 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.435 2.860 8.518 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -25.139 1.496 9.363 1.00 0.00 H new ATOM 450 N ARG A 32 -23.208 4.266 12.932 1.00 0.00 N ATOM 451 CA ARG A 32 -22.157 5.165 13.379 1.00 0.00 C ATOM 452 C ARG A 32 -20.857 4.390 13.605 1.00 0.00 C ATOM 453 O ARG A 32 -19.768 4.938 13.442 1.00 0.00 O ATOM 454 CB ARG A 32 -22.553 5.873 14.676 1.00 0.00 C ATOM 455 CG ARG A 32 -22.046 7.317 14.689 1.00 0.00 C ATOM 456 CD ARG A 32 -23.212 8.307 14.713 1.00 0.00 C ATOM 457 NE ARG A 32 -23.633 8.560 16.109 1.00 0.00 N ATOM 458 CZ ARG A 32 -22.959 9.351 16.971 1.00 0.00 C ATOM 459 NH1 ARG A 32 -21.825 9.974 16.586 1.00 0.00 N ATOM 460 NH2 ARG A 32 -23.426 9.506 18.196 1.00 0.00 N ATOM 0 H ARG A 32 -24.027 4.233 13.538 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.007 5.914 12.601 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.638 5.864 14.783 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.144 5.332 15.529 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -21.412 7.476 15.561 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -21.429 7.498 13.809 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -22.915 9.243 14.239 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -24.049 7.910 14.138 1.00 0.00 H new ATOM 0 HE ARG A 32 -24.485 8.109 16.441 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -21.471 9.849 15.638 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -21.322 10.570 17.244 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -24.284 9.032 18.479 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -22.929 10.100 18.860 1.00 0.00 H new ATOM 473 N LEU A 33 -21.015 3.128 13.977 1.00 0.00 N ATOM 474 CA LEU A 33 -19.867 2.273 14.227 1.00 0.00 C ATOM 475 C LEU A 33 -19.470 1.567 12.929 1.00 0.00 C ATOM 476 O LEU A 33 -18.385 0.995 12.836 1.00 0.00 O ATOM 477 CB LEU A 33 -20.154 1.315 15.385 1.00 0.00 C ATOM 478 CG LEU A 33 -19.139 1.322 16.529 1.00 0.00 C ATOM 479 CD1 LEU A 33 -17.753 0.900 16.034 1.00 0.00 C ATOM 480 CD2 LEU A 33 -19.108 2.682 17.227 1.00 0.00 C ATOM 0 H LEU A 33 -21.920 2.677 14.111 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.010 2.869 14.542 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.135 1.556 15.795 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.215 0.302 14.986 1.00 0.00 H new ATOM 0 HG LEU A 33 -19.455 0.588 17.270 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.050 0.913 16.867 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -17.806 -0.107 15.619 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.416 1.593 15.263 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -18.378 2.659 18.036 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -18.830 3.453 16.509 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -20.094 2.904 17.634 1.00 0.00 H new ATOM 492 N ALA A 34 -20.370 1.631 11.959 1.00 0.00 N ATOM 493 CA ALA A 34 -20.128 1.004 10.670 1.00 0.00 C ATOM 494 C ALA A 34 -19.272 1.935 9.809 1.00 0.00 C ATOM 495 O ALA A 34 -19.016 1.646 8.641 1.00 0.00 O ATOM 496 CB ALA A 34 -21.464 0.663 10.009 1.00 0.00 C ATOM 0 H ALA A 34 -21.268 2.107 12.039 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.579 0.071 10.794 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.282 0.193 9.043 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -22.021 -0.023 10.647 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -22.042 1.576 9.865 1.00 0.00 H new ATOM 502 N HIS A 35 -18.854 3.035 10.418 1.00 0.00 N ATOM 503 CA HIS A 35 -18.033 4.011 9.722 1.00 0.00 C ATOM 504 C HIS A 35 -16.554 3.671 9.919 1.00 0.00 C ATOM 505 O HIS A 35 -15.690 4.225 9.241 1.00 0.00 O ATOM 506 CB HIS A 35 -18.380 5.432 10.169 1.00 0.00 C ATOM 507 CG HIS A 35 -19.333 6.151 9.245 1.00 0.00 C ATOM 508 ND1 HIS A 35 -20.548 6.660 9.670 1.00 0.00 N ATOM 509 CD2 HIS A 35 -19.237 6.442 7.916 1.00 0.00 C ATOM 510 CE1 HIS A 35 -21.148 7.228 8.634 1.00 0.00 C ATOM 511 NE2 HIS A 35 -20.334 7.092 7.548 1.00 0.00 N ATOM 0 H HIS A 35 -19.069 3.272 11.387 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.240 3.969 8.653 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -18.818 5.391 11.166 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -17.460 6.012 10.248 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -18.408 6.187 7.272 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -22.113 7.714 8.647 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -20.535 7.434 6.608 1.00 0.00 H new ATOM 519 N SER A 36 -16.308 2.762 10.852 1.00 0.00 N ATOM 520 CA SER A 36 -14.949 2.342 11.147 1.00 0.00 C ATOM 521 C SER A 36 -14.567 1.150 10.268 1.00 0.00 C ATOM 522 O SER A 36 -13.384 0.866 10.081 1.00 0.00 O ATOM 523 CB SER A 36 -14.793 1.983 12.626 1.00 0.00 C ATOM 524 OG SER A 36 -13.428 1.788 12.987 1.00 0.00 O ATOM 0 H SER A 36 -17.027 2.305 11.413 1.00 0.00 H new ATOM 0 HA SER A 36 -14.279 3.174 10.930 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.220 2.777 13.239 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.358 1.076 12.840 1.00 0.00 H new ATOM 0 HG SER A 36 -12.934 1.434 12.219 1.00 0.00 H new ATOM 530 N ARG A 37 -15.589 0.484 9.752 1.00 0.00 N ATOM 531 CA ARG A 37 -15.375 -0.671 8.897 1.00 0.00 C ATOM 532 C ARG A 37 -15.273 -0.236 7.433 1.00 0.00 C ATOM 533 O ARG A 37 -15.311 -1.071 6.530 1.00 0.00 O ATOM 534 CB ARG A 37 -16.513 -1.683 9.043 1.00 0.00 C ATOM 535 CG ARG A 37 -15.972 -3.113 9.095 1.00 0.00 C ATOM 536 CD ARG A 37 -16.222 -3.744 10.466 1.00 0.00 C ATOM 537 NE ARG A 37 -17.199 -4.849 10.344 1.00 0.00 N ATOM 538 CZ ARG A 37 -18.538 -4.684 10.386 1.00 0.00 C ATOM 539 NH1 ARG A 37 -19.072 -3.454 10.548 1.00 0.00 N ATOM 540 NH2 ARG A 37 -19.318 -5.742 10.267 1.00 0.00 N ATOM 0 H ARG A 37 -16.568 0.722 9.910 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.442 -1.143 9.205 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.079 -1.471 9.950 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -17.204 -1.582 8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.449 -3.715 8.321 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.903 -3.109 8.882 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.286 -4.119 10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.597 -2.991 11.159 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.838 -5.795 10.220 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -18.462 -2.641 10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -20.085 -3.338 10.579 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -18.907 -6.668 10.145 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -20.332 -5.634 10.297 1.00 0.00 H new ATOM 553 N ALA A 38 -15.145 1.069 7.245 1.00 0.00 N ATOM 554 CA ALA A 38 -15.037 1.624 5.906 1.00 0.00 C ATOM 555 C ALA A 38 -13.904 0.920 5.157 1.00 0.00 C ATOM 556 O ALA A 38 -14.039 0.604 3.975 1.00 0.00 O ATOM 557 CB ALA A 38 -14.825 3.137 5.997 1.00 0.00 C ATOM 0 H ALA A 38 -15.114 1.758 7.997 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.956 1.457 5.345 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -14.744 3.554 4.993 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -15.671 3.593 6.512 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.909 3.343 6.551 1.00 0.00 H new ATOM 563 N ALA A 39 -12.813 0.696 5.874 1.00 0.00 N ATOM 564 CA ALA A 39 -11.658 0.035 5.291 1.00 0.00 C ATOM 565 C ALA A 39 -12.113 -1.232 4.565 1.00 0.00 C ATOM 566 O ALA A 39 -12.574 -2.182 5.196 1.00 0.00 O ATOM 567 CB ALA A 39 -10.630 -0.258 6.387 1.00 0.00 C ATOM 0 H ALA A 39 -12.704 0.960 6.853 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.177 0.681 4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.763 -0.754 5.950 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.317 0.677 6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.077 -0.906 7.141 1.00 0.00 H new ATOM 573 N ALA A 40 -11.967 -1.206 3.248 1.00 0.00 N ATOM 574 CA ALA A 40 -12.357 -2.341 2.429 1.00 0.00 C ATOM 575 C ALA A 40 -11.871 -3.632 3.090 1.00 0.00 C ATOM 576 O ALA A 40 -12.670 -4.396 3.629 1.00 0.00 O ATOM 577 CB ALA A 40 -11.801 -2.165 1.014 1.00 0.00 C ATOM 0 H ALA A 40 -11.584 -0.417 2.728 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.442 -2.401 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.094 -3.016 0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.199 -1.249 0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -10.713 -2.104 1.055 1.00 0.00 H new ATOM 583 N ALA A 41 -10.564 -3.837 3.026 1.00 0.00 N ATOM 584 CA ALA A 41 -9.962 -5.022 3.611 1.00 0.00 C ATOM 585 C ALA A 41 -10.658 -5.341 4.936 1.00 0.00 C ATOM 586 O ALA A 41 -10.338 -4.752 5.967 1.00 0.00 O ATOM 587 CB ALA A 41 -8.458 -4.801 3.782 1.00 0.00 C ATOM 0 H ALA A 41 -9.904 -3.201 2.577 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.092 -5.882 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.007 -5.691 4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.006 -4.607 2.809 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.288 -3.947 4.438 1.00 0.00 H new ATOM 593 N ALA A 42 -11.598 -6.273 4.864 1.00 0.00 N ATOM 594 CA ALA A 42 -12.342 -6.678 6.045 1.00 0.00 C ATOM 595 C ALA A 42 -11.748 -7.975 6.598 1.00 0.00 C ATOM 596 O ALA A 42 -11.048 -7.959 7.609 1.00 0.00 O ATOM 597 CB ALA A 42 -13.823 -6.820 5.691 1.00 0.00 C ATOM 0 H ALA A 42 -11.861 -6.759 4.007 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.264 -5.921 6.826 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.381 -7.124 6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.204 -5.864 5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.940 -7.573 4.912 1.00 0.00 H new ATOM 603 N ALA A 43 -12.049 -9.066 5.910 1.00 0.00 N ATOM 604 CA ALA A 43 -11.553 -10.369 6.319 1.00 0.00 C ATOM 605 C ALA A 43 -10.030 -10.312 6.453 1.00 0.00 C ATOM 606 O ALA A 43 -9.429 -11.156 7.115 1.00 0.00 O ATOM 607 CB ALA A 43 -12.011 -11.428 5.314 1.00 0.00 C ATOM 0 H ALA A 43 -12.630 -9.075 5.072 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.959 -10.646 7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.639 -12.406 5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.100 -11.449 5.279 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.620 -11.185 4.326 1.00 0.00 H new ATOM 613 N VAL A 44 -9.449 -9.307 5.813 1.00 0.00 N ATOM 614 CA VAL A 44 -8.008 -9.129 5.852 1.00 0.00 C ATOM 615 C VAL A 44 -7.642 -8.225 7.032 1.00 0.00 C ATOM 616 O VAL A 44 -6.565 -8.360 7.611 1.00 0.00 O ATOM 617 CB VAL A 44 -7.511 -8.590 4.510 1.00 0.00 C ATOM 618 CG1 VAL A 44 -6.478 -7.479 4.713 1.00 0.00 C ATOM 619 CG2 VAL A 44 -6.942 -9.715 3.643 1.00 0.00 C ATOM 0 H VAL A 44 -9.951 -8.608 5.265 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.509 -10.085 6.008 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.365 -8.162 3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.141 -7.114 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.930 -6.660 5.272 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.626 -7.871 5.269 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.596 -9.304 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.107 -10.186 4.161 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.718 -10.457 3.455 1.00 0.00 H new ATOM 629 N ALA A 45 -8.559 -7.324 7.352 1.00 0.00 N ATOM 630 CA ALA A 45 -8.347 -6.399 8.452 1.00 0.00 C ATOM 631 C ALA A 45 -7.860 -7.174 9.678 1.00 0.00 C ATOM 632 O ALA A 45 -6.790 -6.888 10.213 1.00 0.00 O ATOM 633 CB ALA A 45 -9.639 -5.626 8.726 1.00 0.00 C ATOM 0 H ALA A 45 -9.451 -7.215 6.869 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.579 -5.669 8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.480 -4.932 9.551 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.926 -5.069 7.834 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.433 -6.325 8.988 1.00 0.00 H new ATOM 639 N ALA A 46 -8.670 -8.140 10.088 1.00 0.00 N ATOM 640 CA ALA A 46 -8.335 -8.958 11.241 1.00 0.00 C ATOM 641 C ALA A 46 -7.099 -9.801 10.921 1.00 0.00 C ATOM 642 O ALA A 46 -6.110 -9.762 11.652 1.00 0.00 O ATOM 643 CB ALA A 46 -9.542 -9.815 11.627 1.00 0.00 C ATOM 0 H ALA A 46 -9.557 -8.374 9.642 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.093 -8.331 12.099 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.291 -10.429 12.492 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.384 -9.168 11.873 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.813 -10.460 10.791 1.00 0.00 H new ATOM 649 N ALA A 47 -7.196 -10.544 9.829 1.00 0.00 N ATOM 650 CA ALA A 47 -6.098 -11.396 9.403 1.00 0.00 C ATOM 651 C ALA A 47 -4.850 -10.539 9.183 1.00 0.00 C ATOM 652 O ALA A 47 -4.799 -9.387 9.611 1.00 0.00 O ATOM 653 CB ALA A 47 -6.506 -12.165 8.145 1.00 0.00 C ATOM 0 H ALA A 47 -8.018 -10.574 9.226 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.862 -12.132 10.172 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.682 -12.804 7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.379 -12.780 8.362 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -6.747 -11.460 7.350 1.00 0.00 H new ATOM 659 N THR A 48 -3.872 -11.135 8.515 1.00 0.00 N ATOM 660 CA THR A 48 -2.628 -10.441 8.233 1.00 0.00 C ATOM 661 C THR A 48 -1.945 -10.019 9.535 1.00 0.00 C ATOM 662 O THR A 48 -1.756 -8.830 9.785 1.00 0.00 O ATOM 663 CB THR A 48 -2.941 -9.266 7.304 1.00 0.00 C ATOM 664 OG1 THR A 48 -3.367 -9.885 6.093 1.00 0.00 O ATOM 665 CG2 THR A 48 -1.688 -8.486 6.902 1.00 0.00 C ATOM 0 H THR A 48 -3.917 -12.091 8.161 1.00 0.00 H new ATOM 0 HA THR A 48 -1.918 -11.095 7.727 1.00 0.00 H new ATOM 0 HB THR A 48 -3.645 -8.594 7.795 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.592 -9.195 5.434 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.967 -7.664 6.243 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.205 -8.088 7.795 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.998 -9.150 6.382 1.00 0.00 H new ATOM 673 N ALA A 49 -1.592 -11.018 10.331 1.00 0.00 N ATOM 674 CA ALA A 49 -0.934 -10.766 11.602 1.00 0.00 C ATOM 675 C ALA A 49 0.200 -9.760 11.394 1.00 0.00 C ATOM 676 O ALA A 49 1.031 -9.932 10.503 1.00 0.00 O ATOM 677 CB ALA A 49 -0.440 -12.088 12.192 1.00 0.00 C ATOM 0 H ALA A 49 -1.749 -12.004 10.120 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.633 -10.331 12.316 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.054 -11.899 13.145 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.287 -12.756 12.348 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.266 -12.552 11.504 1.00 0.00 H new ATOM 683 N ALA A 50 0.197 -8.732 12.230 1.00 0.00 N ATOM 684 CA ALA A 50 1.215 -7.699 12.148 1.00 0.00 C ATOM 685 C ALA A 50 2.450 -8.143 12.934 1.00 0.00 C ATOM 686 O ALA A 50 2.967 -7.393 13.761 1.00 0.00 O ATOM 687 CB ALA A 50 0.642 -6.376 12.661 1.00 0.00 C ATOM 0 H ALA A 50 -0.494 -8.593 12.967 1.00 0.00 H new ATOM 0 HA ALA A 50 1.521 -7.543 11.114 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.406 -5.601 12.600 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.215 -6.090 12.052 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.327 -6.494 13.698 1.00 0.00 H new ATOM 693 N VAL A 51 2.888 -9.360 12.649 1.00 0.00 N ATOM 694 CA VAL A 51 4.053 -9.913 13.319 1.00 0.00 C ATOM 695 C VAL A 51 5.048 -10.415 12.271 1.00 0.00 C ATOM 696 O VAL A 51 5.492 -11.560 12.329 1.00 0.00 O ATOM 697 CB VAL A 51 3.622 -11.002 14.304 1.00 0.00 C ATOM 698 CG1 VAL A 51 3.342 -12.319 13.577 1.00 0.00 C ATOM 699 CG2 VAL A 51 4.671 -11.193 15.402 1.00 0.00 C ATOM 0 H VAL A 51 2.457 -9.979 11.963 1.00 0.00 H new ATOM 0 HA VAL A 51 4.558 -9.145 13.905 1.00 0.00 H new ATOM 0 HB VAL A 51 2.695 -10.678 14.778 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.038 -13.076 14.300 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.544 -12.170 12.849 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.245 -12.650 13.063 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.341 -11.972 16.089 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.620 -11.484 14.952 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.800 -10.259 15.948 1.00 0.00 H new ATOM 709 N GLU A 52 5.370 -9.533 11.336 1.00 0.00 N ATOM 710 CA GLU A 52 6.304 -9.872 10.276 1.00 0.00 C ATOM 711 C GLU A 52 7.644 -10.310 10.871 1.00 0.00 C ATOM 712 O GLU A 52 8.045 -9.829 11.930 1.00 0.00 O ATOM 713 CB GLU A 52 6.490 -8.698 9.312 1.00 0.00 C ATOM 714 CG GLU A 52 7.484 -9.051 8.204 1.00 0.00 C ATOM 715 CD GLU A 52 7.841 -7.816 7.374 1.00 0.00 C ATOM 716 OE1 GLU A 52 8.768 -7.075 7.734 1.00 0.00 O ATOM 717 OE2 GLU A 52 7.118 -7.639 6.321 1.00 0.00 O ATOM 0 H GLU A 52 5.000 -8.583 11.291 1.00 0.00 H new ATOM 0 HA GLU A 52 5.891 -10.705 9.707 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.530 -8.429 8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.846 -7.825 9.860 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.388 -9.473 8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.056 -9.817 7.557 1.00 0.00 H new ATOM 725 N GLY A 53 8.300 -11.218 10.163 1.00 0.00 N ATOM 726 CA GLY A 53 9.587 -11.727 10.608 1.00 0.00 C ATOM 727 C GLY A 53 10.045 -12.897 9.735 1.00 0.00 C ATOM 728 O GLY A 53 11.136 -12.862 9.167 1.00 0.00 O ATOM 0 H GLY A 53 7.965 -11.614 9.285 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.329 -10.930 10.573 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.515 -12.050 11.647 1.00 0.00 H new ATOM 732 N THR A 54 9.189 -13.905 9.655 1.00 0.00 N ATOM 733 CA THR A 54 9.492 -15.083 8.861 1.00 0.00 C ATOM 734 C THR A 54 10.143 -14.681 7.536 1.00 0.00 C ATOM 735 O THR A 54 9.776 -13.668 6.942 1.00 0.00 O ATOM 736 CB THR A 54 8.198 -15.880 8.684 1.00 0.00 C ATOM 737 OG1 THR A 54 7.884 -16.328 10.000 1.00 0.00 O ATOM 738 CG2 THR A 54 8.410 -17.172 7.891 1.00 0.00 C ATOM 0 H THR A 54 8.285 -13.930 10.127 1.00 0.00 H new ATOM 0 HA THR A 54 10.218 -15.722 9.364 1.00 0.00 H new ATOM 0 HB THR A 54 7.457 -15.261 8.178 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.057 -16.853 9.978 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.461 -17.699 7.794 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.794 -16.932 6.900 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.126 -17.806 8.414 1.00 0.00 H new ATOM 746 N GLY A 55 11.100 -15.494 7.112 1.00 0.00 N ATOM 747 CA GLY A 55 11.805 -15.235 5.869 1.00 0.00 C ATOM 748 C GLY A 55 13.257 -15.710 5.954 1.00 0.00 C ATOM 749 O GLY A 55 13.687 -16.548 5.162 1.00 0.00 O ATOM 0 H GLY A 55 11.403 -16.332 7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.300 -15.743 5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.780 -14.168 5.648 1.00 0.00 H new ATOM 753 N GLY A 56 13.973 -15.154 6.920 1.00 0.00 N ATOM 754 CA GLY A 56 15.367 -15.510 7.119 1.00 0.00 C ATOM 755 C GLY A 56 15.592 -17.004 6.874 1.00 0.00 C ATOM 756 O GLY A 56 15.878 -17.416 5.751 1.00 0.00 O ATOM 0 H GLY A 56 13.613 -14.459 7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 56 15.995 -14.929 6.444 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.670 -15.255 8.134 1.00 0.00 H new ATOM 760 N SER A 57 15.455 -17.773 7.944 1.00 0.00 N ATOM 761 CA SER A 57 15.639 -19.212 7.859 1.00 0.00 C ATOM 762 C SER A 57 17.099 -19.535 7.536 1.00 0.00 C ATOM 763 O SER A 57 17.602 -19.161 6.478 1.00 0.00 O ATOM 764 CB SER A 57 14.715 -19.825 6.804 1.00 0.00 C ATOM 765 OG SER A 57 13.341 -19.576 7.090 1.00 0.00 O ATOM 0 H SER A 57 15.219 -17.427 8.874 1.00 0.00 H new ATOM 0 HA SER A 57 15.382 -19.646 8.825 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.962 -19.416 5.824 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.886 -20.900 6.753 1.00 0.00 H new ATOM 0 HG SER A 57 12.783 -19.981 6.394 1.00 0.00 H new ATOM 771 N GLY A 58 17.740 -20.225 8.469 1.00 0.00 N ATOM 772 CA GLY A 58 19.132 -20.602 8.297 1.00 0.00 C ATOM 773 C GLY A 58 19.288 -21.630 7.175 1.00 0.00 C ATOM 774 O GLY A 58 18.332 -21.920 6.457 1.00 0.00 O ATOM 0 H GLY A 58 17.320 -20.532 9.346 1.00 0.00 H new ATOM 0 HA2 GLY A 58 19.726 -19.717 8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 58 19.518 -21.014 9.229 1.00 0.00 H new ATOM 778 N GLY A 59 20.500 -22.153 7.059 1.00 0.00 N ATOM 779 CA GLY A 59 20.793 -23.143 6.036 1.00 0.00 C ATOM 780 C GLY A 59 20.661 -24.562 6.593 1.00 0.00 C ATOM 781 O GLY A 59 19.576 -24.976 6.997 1.00 0.00 O ATOM 0 H GLY A 59 21.290 -21.910 7.656 1.00 0.00 H new ATOM 0 HA2 GLY A 59 20.112 -23.014 5.194 1.00 0.00 H new ATOM 0 HA3 GLY A 59 21.803 -22.990 5.656 1.00 0.00 H new ATOM 785 N GLY A 60 21.783 -25.268 6.597 1.00 0.00 N ATOM 786 CA GLY A 60 21.807 -26.632 7.098 1.00 0.00 C ATOM 787 C GLY A 60 23.199 -27.002 7.613 1.00 0.00 C ATOM 788 O GLY A 60 23.427 -27.041 8.821 1.00 0.00 O ATOM 0 H GLY A 60 22.681 -24.921 6.261 1.00 0.00 H new ATOM 0 HA2 GLY A 60 21.077 -26.741 7.900 1.00 0.00 H new ATOM 0 HA3 GLY A 60 21.514 -27.320 6.305 1.00 0.00 H new ATOM 792 N PRO A 61 24.117 -27.272 6.647 1.00 0.00 N ATOM 793 CA PRO A 61 25.480 -27.638 6.991 1.00 0.00 C ATOM 794 C PRO A 61 26.276 -26.416 7.453 1.00 0.00 C ATOM 795 O PRO A 61 25.750 -25.304 7.484 1.00 0.00 O ATOM 796 CB PRO A 61 26.047 -28.273 5.732 1.00 0.00 C ATOM 797 CG PRO A 61 25.144 -27.823 4.595 1.00 0.00 C ATOM 798 CD PRO A 61 23.882 -27.236 5.206 1.00 0.00 C ATOM 0 HA PRO A 61 25.529 -28.333 7.829 1.00 0.00 H new ATOM 0 HB2 PRO A 61 27.076 -27.954 5.563 1.00 0.00 H new ATOM 0 HB3 PRO A 61 26.059 -29.360 5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 61 25.650 -27.081 3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.899 -28.664 3.947 1.00 0.00 H new ATOM 0 HD2 PRO A 61 23.710 -26.217 4.858 1.00 0.00 H new ATOM 0 HD3 PRO A 61 23.002 -27.819 4.933 1.00 0.00 H new ATOM 806 N HIS A 62 27.530 -26.663 7.802 1.00 0.00 N ATOM 807 CA HIS A 62 28.403 -25.596 8.261 1.00 0.00 C ATOM 808 C HIS A 62 29.796 -25.776 7.654 1.00 0.00 C ATOM 809 O HIS A 62 30.222 -26.899 7.391 1.00 0.00 O ATOM 810 CB HIS A 62 28.426 -25.534 9.790 1.00 0.00 C ATOM 811 CG HIS A 62 28.381 -24.132 10.348 1.00 0.00 C ATOM 812 ND1 HIS A 62 29.039 -23.765 11.509 1.00 0.00 N ATOM 813 CD2 HIS A 62 27.751 -23.011 9.893 1.00 0.00 C ATOM 814 CE1 HIS A 62 28.808 -22.480 11.733 1.00 0.00 C ATOM 815 NE2 HIS A 62 28.009 -22.015 10.731 1.00 0.00 N ATOM 0 H HIS A 62 27.962 -27.586 7.776 1.00 0.00 H new ATOM 0 HA HIS A 62 28.018 -24.634 7.921 1.00 0.00 H new ATOM 0 HB2 HIS A 62 27.577 -26.096 10.179 1.00 0.00 H new ATOM 0 HB3 HIS A 62 29.328 -26.029 10.150 1.00 0.00 H new ATOM 0 HD2 HIS A 62 27.145 -22.945 9.002 1.00 0.00 H new ATOM 0 HE1 HIS A 62 29.186 -21.902 12.563 1.00 0.00 H new ATOM 0 HE2 HIS A 62 27.666 -21.059 10.640 1.00 0.00 H new ATOM 823 N HIS A 63 30.466 -24.651 7.450 1.00 0.00 N ATOM 824 CA HIS A 63 31.802 -24.670 6.878 1.00 0.00 C ATOM 825 C HIS A 63 32.593 -25.843 7.462 1.00 0.00 C ATOM 826 O HIS A 63 32.262 -26.349 8.533 1.00 0.00 O ATOM 827 CB HIS A 63 32.500 -23.324 7.083 1.00 0.00 C ATOM 828 CG HIS A 63 33.595 -23.041 6.083 1.00 0.00 C ATOM 829 ND1 HIS A 63 34.856 -22.608 6.454 1.00 0.00 N ATOM 830 CD2 HIS A 63 33.605 -23.135 4.722 1.00 0.00 C ATOM 831 CE1 HIS A 63 35.583 -22.451 5.358 1.00 0.00 C ATOM 832 NE2 HIS A 63 34.806 -22.777 4.285 1.00 0.00 N ATOM 0 H HIS A 63 30.109 -23.721 7.670 1.00 0.00 H new ATOM 0 HA HIS A 63 31.738 -24.820 5.800 1.00 0.00 H new ATOM 0 HB2 HIS A 63 31.757 -22.529 7.027 1.00 0.00 H new ATOM 0 HB3 HIS A 63 32.923 -23.295 8.087 1.00 0.00 H new ATOM 0 HD2 HIS A 63 32.776 -23.448 4.105 1.00 0.00 H new ATOM 0 HE1 HIS A 63 36.611 -22.122 5.320 1.00 0.00 H new ATOM 0 HE2 HIS A 63 35.100 -22.750 3.309 1.00 0.00 H new ATOM 840 N HIS A 64 33.625 -26.240 6.731 1.00 0.00 N ATOM 841 CA HIS A 64 34.466 -27.344 7.163 1.00 0.00 C ATOM 842 C HIS A 64 35.537 -26.826 8.125 1.00 0.00 C ATOM 843 O HIS A 64 35.785 -25.624 8.195 1.00 0.00 O ATOM 844 CB HIS A 64 35.057 -28.080 5.959 1.00 0.00 C ATOM 845 CG HIS A 64 36.192 -27.345 5.286 1.00 0.00 C ATOM 846 ND1 HIS A 64 37.507 -27.769 5.359 1.00 0.00 N ATOM 847 CD2 HIS A 64 36.194 -26.212 4.526 1.00 0.00 C ATOM 848 CE1 HIS A 64 38.258 -26.921 4.672 1.00 0.00 C ATOM 849 NE2 HIS A 64 37.443 -25.957 4.157 1.00 0.00 N ATOM 0 H HIS A 64 33.898 -25.817 5.844 1.00 0.00 H new ATOM 0 HA HIS A 64 33.864 -28.075 7.703 1.00 0.00 H new ATOM 0 HB2 HIS A 64 35.413 -29.058 6.283 1.00 0.00 H new ATOM 0 HB3 HIS A 64 34.267 -28.254 5.229 1.00 0.00 H new ATOM 0 HD2 HIS A 64 35.326 -25.623 4.268 1.00 0.00 H new ATOM 0 HE1 HIS A 64 39.328 -26.983 4.543 1.00 0.00 H new ATOM 0 HE2 HIS A 64 37.744 -25.170 3.583 1.00 0.00 H new ATOM 857 N HIS A 65 36.143 -27.761 8.843 1.00 0.00 N ATOM 858 CA HIS A 65 37.182 -27.415 9.798 1.00 0.00 C ATOM 859 C HIS A 65 37.373 -28.565 10.788 1.00 0.00 C ATOM 860 O HIS A 65 36.568 -28.744 11.701 1.00 0.00 O ATOM 861 CB HIS A 65 36.865 -26.086 10.487 1.00 0.00 C ATOM 862 CG HIS A 65 35.403 -25.894 10.808 1.00 0.00 C ATOM 863 ND1 HIS A 65 34.346 -26.750 10.701 1.00 0.00 N flip ATOM 864 CD2 HIS A 65 34.893 -24.705 11.301 1.00 0.00 C flip ATOM 865 CE1 HIS A 65 33.252 -26.120 11.107 1.00 0.00 C flip ATOM 866 NE2 HIS A 65 33.588 -24.852 11.479 1.00 0.00 N flip ATOM 0 H HIS A 65 35.934 -28.758 8.782 1.00 0.00 H new ATOM 0 HA HIS A 65 38.128 -27.271 9.276 1.00 0.00 H new ATOM 0 HB2 HIS A 65 37.441 -26.021 11.410 1.00 0.00 H new ATOM 0 HB3 HIS A 65 37.196 -25.269 9.847 1.00 0.00 H new ATOM 0 HD2 HIS A 65 35.462 -23.810 11.506 1.00 0.00 H new ATOM 0 HE1 HIS A 65 32.258 -26.542 11.138 1.00 0.00 H new ATOM 0 HE2 HIS A 65 32.947 -24.141 11.832 1.00 0.00 H new ATOM 874 N GLN A 66 38.443 -29.316 10.574 1.00 0.00 N ATOM 875 CA GLN A 66 38.750 -30.445 11.437 1.00 0.00 C ATOM 876 C GLN A 66 39.982 -30.140 12.291 1.00 0.00 C ATOM 877 O GLN A 66 40.591 -29.080 12.153 1.00 0.00 O ATOM 878 CB GLN A 66 38.953 -31.721 10.618 1.00 0.00 C ATOM 879 CG GLN A 66 38.639 -32.964 11.453 1.00 0.00 C ATOM 880 CD GLN A 66 37.687 -33.900 10.706 1.00 0.00 C ATOM 881 OE1 GLN A 66 37.032 -33.526 9.747 1.00 0.00 O ATOM 882 NE2 GLN A 66 37.647 -35.136 11.197 1.00 0.00 N ATOM 0 H GLN A 66 39.108 -29.165 9.816 1.00 0.00 H new ATOM 0 HA GLN A 66 37.903 -30.610 12.102 1.00 0.00 H new ATOM 0 HB2 GLN A 66 38.311 -31.698 9.737 1.00 0.00 H new ATOM 0 HB3 GLN A 66 39.982 -31.769 10.261 1.00 0.00 H new ATOM 0 HG2 GLN A 66 39.563 -33.492 11.688 1.00 0.00 H new ATOM 0 HG3 GLN A 66 38.192 -32.666 12.401 1.00 0.00 H new ATOM 0 HE21 GLN A 66 38.221 -35.384 12.003 1.00 0.00 H new ATOM 0 HE22 GLN A 66 37.042 -35.836 10.768 1.00 0.00 H new ATOM 891 N THR A 67 40.313 -31.088 13.155 1.00 0.00 N ATOM 892 CA THR A 67 41.461 -30.935 14.032 1.00 0.00 C ATOM 893 C THR A 67 42.738 -30.748 13.211 1.00 0.00 C ATOM 894 O THR A 67 42.724 -30.902 11.991 1.00 0.00 O ATOM 895 CB THR A 67 41.510 -32.147 14.964 1.00 0.00 C ATOM 896 OG1 THR A 67 40.350 -32.005 15.780 1.00 0.00 O ATOM 897 CG2 THR A 67 42.674 -32.078 15.955 1.00 0.00 C ATOM 0 H THR A 67 39.806 -31.966 13.266 1.00 0.00 H new ATOM 0 HA THR A 67 41.372 -30.039 14.646 1.00 0.00 H new ATOM 0 HB THR A 67 41.593 -33.057 14.370 1.00 0.00 H new ATOM 0 HG1 THR A 67 40.302 -32.751 16.414 1.00 0.00 H new ATOM 0 HG21 THR A 67 42.662 -32.962 16.592 1.00 0.00 H new ATOM 0 HG22 THR A 67 43.616 -32.038 15.408 1.00 0.00 H new ATOM 0 HG23 THR A 67 42.574 -31.185 16.572 1.00 0.00 H new ATOM 905 N ARG A 68 43.812 -30.417 13.913 1.00 0.00 N ATOM 906 CA ARG A 68 45.095 -30.207 13.264 1.00 0.00 C ATOM 907 C ARG A 68 45.469 -31.428 12.420 1.00 0.00 C ATOM 908 O ARG A 68 44.830 -32.474 12.518 1.00 0.00 O ATOM 909 CB ARG A 68 46.197 -29.951 14.294 1.00 0.00 C ATOM 910 CG ARG A 68 47.176 -28.886 13.795 1.00 0.00 C ATOM 911 CD ARG A 68 46.846 -27.516 14.391 1.00 0.00 C ATOM 912 NE ARG A 68 46.116 -26.695 13.400 1.00 0.00 N ATOM 913 CZ ARG A 68 44.774 -26.705 13.249 1.00 0.00 C ATOM 914 NH1 ARG A 68 44.004 -27.496 14.026 1.00 0.00 N ATOM 915 NH2 ARG A 68 44.227 -25.931 12.331 1.00 0.00 N ATOM 0 H ARG A 68 43.820 -30.289 14.925 1.00 0.00 H new ATOM 0 HA ARG A 68 45.003 -29.331 12.622 1.00 0.00 H new ATOM 0 HB2 ARG A 68 45.752 -29.629 15.236 1.00 0.00 H new ATOM 0 HB3 ARG A 68 46.734 -30.878 14.496 1.00 0.00 H new ATOM 0 HG2 ARG A 68 48.194 -29.168 14.064 1.00 0.00 H new ATOM 0 HG3 ARG A 68 47.137 -28.832 12.707 1.00 0.00 H new ATOM 0 HD2 ARG A 68 46.242 -27.637 15.290 1.00 0.00 H new ATOM 0 HD3 ARG A 68 47.764 -27.010 14.689 1.00 0.00 H new ATOM 0 HE ARG A 68 46.661 -26.083 12.793 1.00 0.00 H new ATOM 0 HH11 ARG A 68 44.435 -28.092 14.733 1.00 0.00 H new ATOM 0 HH12 ARG A 68 42.991 -27.498 13.906 1.00 0.00 H new ATOM 0 HH21 ARG A 68 44.816 -25.337 11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 68 43.215 -25.927 12.204 1.00 0.00 H new ATOM 928 N GLY A 69 46.503 -31.253 11.610 1.00 0.00 N ATOM 929 CA GLY A 69 46.969 -32.327 10.750 1.00 0.00 C ATOM 930 C GLY A 69 48.456 -32.165 10.428 1.00 0.00 C ATOM 931 O GLY A 69 48.815 -31.548 9.426 1.00 0.00 O ATOM 0 H GLY A 69 47.031 -30.384 11.531 1.00 0.00 H new ATOM 0 HA2 GLY A 69 46.801 -33.287 11.238 1.00 0.00 H new ATOM 0 HA3 GLY A 69 46.392 -32.334 9.826 1.00 0.00 H new ATOM 935 N ALA A 70 49.282 -32.730 11.297 1.00 0.00 N ATOM 936 CA ALA A 70 50.721 -32.656 11.118 1.00 0.00 C ATOM 937 C ALA A 70 51.291 -34.072 11.009 1.00 0.00 C ATOM 938 O ALA A 70 50.654 -35.035 11.435 1.00 0.00 O ATOM 939 CB ALA A 70 51.340 -31.866 12.274 1.00 0.00 C ATOM 0 H ALA A 70 48.981 -33.241 12.127 1.00 0.00 H new ATOM 0 HA ALA A 70 50.966 -32.130 10.195 1.00 0.00 H new ATOM 0 HB1 ALA A 70 52.420 -31.811 12.140 1.00 0.00 H new ATOM 0 HB2 ALA A 70 50.924 -30.859 12.290 1.00 0.00 H new ATOM 0 HB3 ALA A 70 51.117 -32.366 13.217 1.00 0.00 H new ATOM 945 N TYR A 71 52.483 -34.154 10.438 1.00 0.00 N ATOM 946 CA TYR A 71 53.145 -35.436 10.267 1.00 0.00 C ATOM 947 C TYR A 71 54.526 -35.432 10.927 1.00 0.00 C ATOM 948 O TYR A 71 55.245 -34.437 10.864 1.00 0.00 O ATOM 949 CB TYR A 71 53.315 -35.626 8.759 1.00 0.00 C ATOM 950 CG TYR A 71 52.314 -36.602 8.138 1.00 0.00 C ATOM 951 CD1 TYR A 71 50.960 -36.427 8.343 1.00 0.00 C ATOM 952 CD2 TYR A 71 52.764 -37.659 7.373 1.00 0.00 C ATOM 953 CE1 TYR A 71 50.018 -37.346 7.759 1.00 0.00 C ATOM 954 CE2 TYR A 71 51.822 -38.578 6.789 1.00 0.00 C ATOM 955 CZ TYR A 71 50.495 -38.376 7.011 1.00 0.00 C ATOM 956 OH TYR A 71 49.606 -39.244 6.459 1.00 0.00 O ATOM 0 H TYR A 71 53.008 -33.353 10.087 1.00 0.00 H new ATOM 0 HA TYR A 71 52.560 -36.234 10.725 1.00 0.00 H new ATOM 0 HB2 TYR A 71 53.216 -34.658 8.268 1.00 0.00 H new ATOM 0 HB3 TYR A 71 54.326 -35.982 8.560 1.00 0.00 H new ATOM 0 HD1 TYR A 71 50.607 -35.600 8.942 1.00 0.00 H new ATOM 0 HD2 TYR A 71 53.823 -37.797 7.212 1.00 0.00 H new ATOM 0 HE1 TYR A 71 48.956 -37.220 7.912 1.00 0.00 H new ATOM 0 HE2 TYR A 71 52.161 -39.409 6.188 1.00 0.00 H new ATOM 0 HH TYR A 71 50.089 -39.928 5.951 1.00 0.00 H new ATOM 966 N SER A 72 54.854 -36.557 11.546 1.00 0.00 N ATOM 967 CA SER A 72 56.135 -36.696 12.216 1.00 0.00 C ATOM 968 C SER A 72 56.312 -35.576 13.244 1.00 0.00 C ATOM 969 O SER A 72 56.772 -34.486 12.906 1.00 0.00 O ATOM 970 CB SER A 72 57.288 -36.680 11.210 1.00 0.00 C ATOM 971 OG SER A 72 58.100 -37.847 11.311 1.00 0.00 O ATOM 0 H SER A 72 54.254 -37.380 11.597 1.00 0.00 H new ATOM 0 HA SER A 72 56.150 -37.658 12.729 1.00 0.00 H new ATOM 0 HB2 SER A 72 56.887 -36.604 10.199 1.00 0.00 H new ATOM 0 HB3 SER A 72 57.902 -35.795 11.376 1.00 0.00 H new ATOM 0 HG SER A 72 58.824 -37.800 10.652 1.00 0.00 H new ATOM 977 N SER A 73 55.938 -35.883 14.477 1.00 0.00 N ATOM 978 CA SER A 73 56.049 -34.916 15.556 1.00 0.00 C ATOM 979 C SER A 73 56.109 -35.640 16.903 1.00 0.00 C ATOM 980 O SER A 73 55.076 -36.016 17.456 1.00 0.00 O ATOM 981 CB SER A 73 54.880 -33.930 15.534 1.00 0.00 C ATOM 982 OG SER A 73 54.786 -33.240 14.291 1.00 0.00 O ATOM 0 H SER A 73 55.558 -36.788 14.753 1.00 0.00 H new ATOM 0 HA SER A 73 56.969 -34.349 15.415 1.00 0.00 H new ATOM 0 HB2 SER A 73 53.950 -34.466 15.722 1.00 0.00 H new ATOM 0 HB3 SER A 73 55.000 -33.208 16.341 1.00 0.00 H new ATOM 0 HG SER A 73 54.026 -32.621 14.317 1.00 0.00 H new ATOM 988 N HIS A 74 57.328 -35.813 17.392 1.00 0.00 N ATOM 989 CA HIS A 74 57.536 -36.484 18.664 1.00 0.00 C ATOM 990 C HIS A 74 58.927 -36.145 19.202 1.00 0.00 C ATOM 991 O HIS A 74 59.903 -36.144 18.453 1.00 0.00 O ATOM 992 CB HIS A 74 57.304 -37.990 18.527 1.00 0.00 C ATOM 993 CG HIS A 74 55.868 -38.411 18.731 1.00 0.00 C ATOM 994 ND1 HIS A 74 55.243 -38.372 19.965 1.00 0.00 N ATOM 995 CD2 HIS A 74 54.942 -38.880 17.845 1.00 0.00 C ATOM 996 CE1 HIS A 74 53.998 -38.801 19.817 1.00 0.00 C ATOM 997 NE2 HIS A 74 53.814 -39.115 18.503 1.00 0.00 N ATOM 0 H HIS A 74 58.182 -35.500 16.930 1.00 0.00 H new ATOM 0 HA HIS A 74 56.807 -36.127 19.391 1.00 0.00 H new ATOM 0 HB2 HIS A 74 57.628 -38.309 17.536 1.00 0.00 H new ATOM 0 HB3 HIS A 74 57.931 -38.511 19.250 1.00 0.00 H new ATOM 0 HD2 HIS A 74 55.100 -39.034 16.788 1.00 0.00 H new ATOM 0 HE1 HIS A 74 53.259 -38.887 20.600 1.00 0.00 H new ATOM 0 HE2 HIS A 74 52.951 -39.472 18.093 1.00 0.00 H new ATOM 1005 N ASP A 75 58.974 -35.864 20.496 1.00 0.00 N ATOM 1006 CA ASP A 75 60.229 -35.524 21.143 1.00 0.00 C ATOM 1007 C ASP A 75 60.957 -34.466 20.311 1.00 0.00 C ATOM 1008 O ASP A 75 60.474 -33.344 20.168 1.00 0.00 O ATOM 1009 CB ASP A 75 61.141 -36.748 21.254 1.00 0.00 C ATOM 1010 CG ASP A 75 62.530 -36.469 21.832 1.00 0.00 C ATOM 1011 OD1 ASP A 75 62.767 -35.418 22.446 1.00 0.00 O ATOM 1012 OD2 ASP A 75 63.402 -37.398 21.628 1.00 0.00 O ATOM 0 H ASP A 75 58.162 -35.865 21.114 1.00 0.00 H new ATOM 0 HA ASP A 75 60.003 -35.151 22.142 1.00 0.00 H new ATOM 0 HB2 ASP A 75 60.648 -37.494 21.877 1.00 0.00 H new ATOM 0 HB3 ASP A 75 61.258 -37.187 20.263 1.00 0.00 H new TER 1018 ASP A 75