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 -154:sc=-0.00209 (180deg=-0.105) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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 51:sc= -0.0437 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 HE2:sc= 0.138 K(o=0.14,f=-0.56) USER MOD Single : A 17 MET CE :methyl -161:sc= -0.369 (180deg=-1.2) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.355 K(o=-0.35,f=-3!) USER MOD Single : A 35 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.4) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.176 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= 0.0633 K(o=0.063,f=-1.1) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.336 K(o=-0.34,f=-2.1!) 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 19:sc= 0.564 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -51.975 23.350 -1.652 1.00 0.00 N ATOM 2 CA MET A 1 -52.880 24.446 -1.350 1.00 0.00 C ATOM 3 C MET A 1 -52.491 25.133 -0.039 1.00 0.00 C ATOM 4 O MET A 1 -51.983 24.488 0.876 1.00 0.00 O ATOM 5 CB MET A 1 -54.310 23.914 -1.244 1.00 0.00 C ATOM 6 CG MET A 1 -55.321 24.956 -1.726 1.00 0.00 C ATOM 7 SD MET A 1 -56.893 24.701 -0.921 1.00 0.00 S ATOM 8 CE MET A 1 -56.838 26.010 0.290 1.00 0.00 C ATOM 0 H1 MET A 1 -52.260 22.901 -2.546 1.00 0.00 H new ATOM 0 H2 MET A 1 -51.005 23.715 -1.742 1.00 0.00 H new ATOM 0 H3 MET A 1 -52.011 22.649 -0.885 1.00 0.00 H new ATOM 0 HA MET A 1 -52.815 25.178 -2.155 1.00 0.00 H new ATOM 0 HB2 MET A 1 -54.408 23.005 -1.838 1.00 0.00 H new ATOM 0 HB3 MET A 1 -54.526 23.644 -0.210 1.00 0.00 H new ATOM 0 HG2 MET A 1 -54.952 25.959 -1.511 1.00 0.00 H new ATOM 0 HG3 MET A 1 -55.441 24.885 -2.807 1.00 0.00 H new ATOM 0 HE1 MET A 1 -57.462 25.743 1.143 1.00 0.00 H new ATOM 0 HE2 MET A 1 -55.810 26.154 0.623 1.00 0.00 H new ATOM 0 HE3 MET A 1 -57.208 26.934 -0.155 1.00 0.00 H new ATOM 18 N GLU A 2 -52.745 26.432 0.009 1.00 0.00 N ATOM 19 CA GLU A 2 -52.429 27.213 1.193 1.00 0.00 C ATOM 20 C GLU A 2 -52.930 26.499 2.450 1.00 0.00 C ATOM 21 O GLU A 2 -54.049 25.988 2.473 1.00 0.00 O ATOM 22 CB GLU A 2 -53.014 28.623 1.092 1.00 0.00 C ATOM 23 CG GLU A 2 -52.453 29.529 2.190 1.00 0.00 C ATOM 24 CD GLU A 2 -53.088 30.920 2.130 1.00 0.00 C ATOM 25 OE1 GLU A 2 -52.529 31.830 1.500 1.00 0.00 O ATOM 26 OE2 GLU A 2 -54.203 31.038 2.768 1.00 0.00 O ATOM 0 H GLU A 2 -53.166 26.964 -0.753 1.00 0.00 H new ATOM 0 HA GLU A 2 -51.345 27.309 1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -52.785 29.046 0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -54.100 28.577 1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -52.640 29.082 3.166 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -51.372 29.614 2.080 1.00 0.00 H new ATOM 34 N VAL A 3 -52.078 26.487 3.464 1.00 0.00 N ATOM 35 CA VAL A 3 -52.421 25.844 4.721 1.00 0.00 C ATOM 36 C VAL A 3 -52.822 26.911 5.742 1.00 0.00 C ATOM 37 O VAL A 3 -52.562 28.096 5.541 1.00 0.00 O ATOM 38 CB VAL A 3 -51.259 24.969 5.196 1.00 0.00 C ATOM 39 CG1 VAL A 3 -49.925 25.703 5.049 1.00 0.00 C ATOM 40 CG2 VAL A 3 -51.475 24.506 6.638 1.00 0.00 C ATOM 0 H VAL A 3 -51.151 26.912 3.441 1.00 0.00 H new ATOM 0 HA VAL A 3 -53.277 25.181 4.590 1.00 0.00 H new ATOM 0 HB VAL A 3 -51.225 24.083 4.562 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -49.116 25.059 5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -49.764 25.959 4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -49.943 26.614 5.647 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -50.635 23.886 6.951 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -51.548 25.375 7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -52.396 23.927 6.700 1.00 0.00 H new ATOM 50 N ALA A 4 -53.447 26.452 6.816 1.00 0.00 N ATOM 51 CA ALA A 4 -53.886 27.352 7.869 1.00 0.00 C ATOM 52 C ALA A 4 -52.705 28.213 8.322 1.00 0.00 C ATOM 53 O ALA A 4 -51.553 27.794 8.225 1.00 0.00 O ATOM 54 CB ALA A 4 -54.490 26.540 9.017 1.00 0.00 C ATOM 0 H ALA A 4 -53.660 25.468 6.980 1.00 0.00 H new ATOM 0 HA ALA A 4 -54.662 28.023 7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -54.819 27.215 9.807 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -55.342 25.969 8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -53.739 25.857 9.414 1.00 0.00 H new ATOM 60 N MET A 5 -53.033 29.402 8.808 1.00 0.00 N ATOM 61 CA MET A 5 -52.014 30.325 9.277 1.00 0.00 C ATOM 62 C MET A 5 -51.258 29.746 10.475 1.00 0.00 C ATOM 63 O MET A 5 -51.849 29.079 11.322 1.00 0.00 O ATOM 64 CB MET A 5 -52.670 31.648 9.678 1.00 0.00 C ATOM 65 CG MET A 5 -53.583 31.462 10.892 1.00 0.00 C ATOM 66 SD MET A 5 -55.154 32.257 10.601 1.00 0.00 S ATOM 67 CE MET A 5 -55.761 32.367 12.276 1.00 0.00 C ATOM 0 H MET A 5 -53.990 29.747 8.887 1.00 0.00 H new ATOM 0 HA MET A 5 -51.302 30.492 8.469 1.00 0.00 H new ATOM 0 HB2 MET A 5 -51.900 32.385 9.907 1.00 0.00 H new ATOM 0 HB3 MET A 5 -53.248 32.040 8.841 1.00 0.00 H new ATOM 0 HG2 MET A 5 -53.734 30.400 11.085 1.00 0.00 H new ATOM 0 HG3 MET A 5 -53.112 31.883 11.780 1.00 0.00 H new ATOM 0 HE1 MET A 5 -56.742 32.843 12.277 1.00 0.00 H new ATOM 0 HE2 MET A 5 -55.843 31.366 12.700 1.00 0.00 H new ATOM 0 HE3 MET A 5 -55.070 32.959 12.875 1.00 0.00 H new ATOM 77 N VAL A 6 -49.963 30.023 10.506 1.00 0.00 N ATOM 78 CA VAL A 6 -49.120 29.538 11.586 1.00 0.00 C ATOM 79 C VAL A 6 -48.403 30.721 12.238 1.00 0.00 C ATOM 80 O VAL A 6 -48.409 31.828 11.702 1.00 0.00 O ATOM 81 CB VAL A 6 -48.157 28.472 11.059 1.00 0.00 C ATOM 82 CG1 VAL A 6 -47.351 27.849 12.201 1.00 0.00 C ATOM 83 CG2 VAL A 6 -48.907 27.398 10.269 1.00 0.00 C ATOM 0 H VAL A 6 -49.477 30.577 9.801 1.00 0.00 H new ATOM 0 HA VAL A 6 -49.724 29.059 12.357 1.00 0.00 H new ATOM 0 HB VAL A 6 -47.457 28.959 10.381 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -46.674 27.095 11.799 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -46.773 28.624 12.704 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -48.031 27.384 12.915 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -48.199 26.653 9.906 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -49.641 26.917 10.915 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -49.416 27.858 9.422 1.00 0.00 H new ATOM 93 N SER A 7 -47.801 30.448 13.386 1.00 0.00 N ATOM 94 CA SER A 7 -47.080 31.476 14.118 1.00 0.00 C ATOM 95 C SER A 7 -45.721 30.940 14.572 1.00 0.00 C ATOM 96 O SER A 7 -45.294 29.872 14.136 1.00 0.00 O ATOM 97 CB SER A 7 -47.888 31.963 15.322 1.00 0.00 C ATOM 98 OG SER A 7 -49.210 32.349 14.957 1.00 0.00 O ATOM 0 H SER A 7 -47.798 29.529 13.828 1.00 0.00 H new ATOM 0 HA SER A 7 -46.924 32.325 13.452 1.00 0.00 H new ATOM 0 HB2 SER A 7 -47.935 31.172 16.071 1.00 0.00 H new ATOM 0 HB3 SER A 7 -47.378 32.809 15.783 1.00 0.00 H new ATOM 0 HG SER A 7 -49.694 32.652 15.753 1.00 0.00 H new ATOM 104 N ALA A 8 -45.079 31.706 15.441 1.00 0.00 N ATOM 105 CA ALA A 8 -43.777 31.322 15.959 1.00 0.00 C ATOM 106 C ALA A 8 -43.908 30.008 16.731 1.00 0.00 C ATOM 107 O ALA A 8 -44.459 29.035 16.219 1.00 0.00 O ATOM 108 CB ALA A 8 -43.217 32.453 16.824 1.00 0.00 C ATOM 0 H ALA A 8 -45.436 32.591 15.800 1.00 0.00 H new ATOM 0 HA ALA A 8 -43.073 31.157 15.143 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -42.240 32.165 17.212 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -43.116 33.356 16.222 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -43.895 32.646 17.655 1.00 0.00 H new ATOM 114 N GLU A 9 -43.392 30.022 17.952 1.00 0.00 N ATOM 115 CA GLU A 9 -43.444 28.843 18.800 1.00 0.00 C ATOM 116 C GLU A 9 -44.871 28.295 18.859 1.00 0.00 C ATOM 117 O GLU A 9 -45.819 28.977 18.473 1.00 0.00 O ATOM 118 CB GLU A 9 -42.918 29.154 20.203 1.00 0.00 C ATOM 119 CG GLU A 9 -41.558 28.493 20.436 1.00 0.00 C ATOM 120 CD GLU A 9 -41.678 27.320 21.411 1.00 0.00 C ATOM 121 OE1 GLU A 9 -41.098 27.363 22.507 1.00 0.00 O ATOM 122 OE2 GLU A 9 -42.406 26.339 20.997 1.00 0.00 O ATOM 0 H GLU A 9 -42.936 30.831 18.374 1.00 0.00 H new ATOM 0 HA GLU A 9 -42.799 28.078 18.367 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -42.829 30.233 20.331 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -43.630 28.802 20.949 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -41.153 28.142 19.487 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -40.855 29.227 20.830 1.00 0.00 H new ATOM 130 N SER A 10 -44.980 27.067 19.345 1.00 0.00 N ATOM 131 CA SER A 10 -46.275 26.419 19.459 1.00 0.00 C ATOM 132 C SER A 10 -46.465 25.876 20.877 1.00 0.00 C ATOM 133 O SER A 10 -47.419 26.240 21.562 1.00 0.00 O ATOM 134 CB SER A 10 -46.419 25.291 18.436 1.00 0.00 C ATOM 135 OG SER A 10 -46.848 25.774 17.166 1.00 0.00 O ATOM 0 H SER A 10 -44.192 26.504 19.664 1.00 0.00 H new ATOM 0 HA SER A 10 -47.047 27.160 19.253 1.00 0.00 H new ATOM 0 HB2 SER A 10 -45.464 24.778 18.325 1.00 0.00 H new ATOM 0 HB3 SER A 10 -47.134 24.556 18.805 1.00 0.00 H new ATOM 0 HG SER A 10 -46.926 25.024 16.540 1.00 0.00 H new ATOM 141 N SER A 11 -45.541 25.014 21.275 1.00 0.00 N ATOM 142 CA SER A 11 -45.595 24.417 22.599 1.00 0.00 C ATOM 143 C SER A 11 -46.844 23.543 22.729 1.00 0.00 C ATOM 144 O SER A 11 -47.863 23.985 23.257 1.00 0.00 O ATOM 145 CB SER A 11 -45.584 25.491 23.688 1.00 0.00 C ATOM 146 OG SER A 11 -44.657 25.188 24.727 1.00 0.00 O ATOM 0 H SER A 11 -44.751 24.715 20.704 1.00 0.00 H new ATOM 0 HA SER A 11 -44.709 23.795 22.730 1.00 0.00 H new ATOM 0 HB2 SER A 11 -45.330 26.454 23.245 1.00 0.00 H new ATOM 0 HB3 SER A 11 -46.584 25.589 24.111 1.00 0.00 H new ATOM 0 HG SER A 11 -44.678 25.898 25.402 1.00 0.00 H new ATOM 152 N GLY A 12 -46.725 22.319 22.237 1.00 0.00 N ATOM 153 CA GLY A 12 -47.831 21.379 22.291 1.00 0.00 C ATOM 154 C GLY A 12 -47.331 19.936 22.203 1.00 0.00 C ATOM 155 O GLY A 12 -46.298 19.597 22.780 1.00 0.00 O ATOM 0 H GLY A 12 -45.878 21.956 21.799 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -48.386 21.519 23.218 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -48.522 21.578 21.472 1.00 0.00 H new ATOM 159 N CYS A 13 -48.085 19.124 21.477 1.00 0.00 N ATOM 160 CA CYS A 13 -47.730 17.726 21.305 1.00 0.00 C ATOM 161 C CYS A 13 -47.270 17.520 19.861 1.00 0.00 C ATOM 162 O CYS A 13 -47.877 16.753 19.115 1.00 0.00 O ATOM 163 CB CYS A 13 -48.891 16.799 21.672 1.00 0.00 C ATOM 164 SG CYS A 13 -50.334 17.149 20.601 1.00 0.00 S ATOM 0 H CYS A 13 -48.941 19.408 21.001 1.00 0.00 H new ATOM 0 HA CYS A 13 -46.917 17.469 21.984 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -48.587 15.759 21.558 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -49.162 16.939 22.719 1.00 0.00 H new ATOM 0 HG CYS A 13 -49.960 17.153 19.356 1.00 0.00 H new ATOM 170 N ASN A 14 -46.201 18.219 19.509 1.00 0.00 N ATOM 171 CA ASN A 14 -45.652 18.123 18.167 1.00 0.00 C ATOM 172 C ASN A 14 -44.525 17.088 18.154 1.00 0.00 C ATOM 173 O ASN A 14 -43.639 17.141 17.303 1.00 0.00 O ATOM 174 CB ASN A 14 -45.069 19.463 17.713 1.00 0.00 C ATOM 175 CG ASN A 14 -45.921 20.084 16.604 1.00 0.00 C ATOM 176 OD1 ASN A 14 -46.820 20.873 16.845 1.00 0.00 O ATOM 177 ND2 ASN A 14 -45.590 19.686 15.380 1.00 0.00 N ATOM 0 H ASN A 14 -45.700 18.854 20.130 1.00 0.00 H new ATOM 0 HA ASN A 14 -46.458 17.834 17.493 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -45.015 20.146 18.561 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -44.050 19.318 17.355 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -46.100 20.044 14.572 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -44.826 19.023 15.248 1.00 0.00 H new ATOM 184 N SER A 15 -44.596 16.172 19.109 1.00 0.00 N ATOM 185 CA SER A 15 -43.593 15.127 19.218 1.00 0.00 C ATOM 186 C SER A 15 -44.224 13.853 19.784 1.00 0.00 C ATOM 187 O SER A 15 -44.173 13.614 20.989 1.00 0.00 O ATOM 188 CB SER A 15 -42.423 15.576 20.098 1.00 0.00 C ATOM 189 OG SER A 15 -41.208 15.674 19.360 1.00 0.00 O ATOM 0 H SER A 15 -45.332 16.132 19.814 1.00 0.00 H new ATOM 0 HA SER A 15 -43.204 14.920 18.221 1.00 0.00 H new ATOM 0 HB2 SER A 15 -42.655 16.543 20.544 1.00 0.00 H new ATOM 0 HB3 SER A 15 -42.294 14.869 20.918 1.00 0.00 H new ATOM 0 HG SER A 15 -40.486 15.965 19.956 1.00 0.00 H new ATOM 195 N HIS A 16 -44.803 13.070 18.887 1.00 0.00 N ATOM 196 CA HIS A 16 -45.444 11.826 19.281 1.00 0.00 C ATOM 197 C HIS A 16 -45.861 11.045 18.033 1.00 0.00 C ATOM 198 O HIS A 16 -47.048 10.818 17.807 1.00 0.00 O ATOM 199 CB HIS A 16 -46.613 12.095 20.231 1.00 0.00 C ATOM 200 CG HIS A 16 -46.548 11.312 21.521 1.00 0.00 C ATOM 201 ND1 HIS A 16 -45.753 11.692 22.588 1.00 0.00 N ATOM 202 CD2 HIS A 16 -47.187 10.170 21.904 1.00 0.00 C ATOM 203 CE1 HIS A 16 -45.914 10.810 23.564 1.00 0.00 C ATOM 204 NE2 HIS A 16 -46.803 9.867 23.137 1.00 0.00 N ATOM 0 H HIS A 16 -44.842 13.272 17.888 1.00 0.00 H new ATOM 0 HA HIS A 16 -44.737 11.207 19.834 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -46.640 13.159 20.465 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -47.546 11.857 19.720 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -45.146 12.511 22.618 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -47.887 9.607 21.305 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -45.427 10.833 24.528 1.00 0.00 H new ATOM 212 N MET A 17 -44.860 10.657 17.256 1.00 0.00 N ATOM 213 CA MET A 17 -45.108 9.906 16.037 1.00 0.00 C ATOM 214 C MET A 17 -45.158 8.403 16.319 1.00 0.00 C ATOM 215 O MET A 17 -44.554 7.928 17.279 1.00 0.00 O ATOM 216 CB MET A 17 -44.001 10.199 15.022 1.00 0.00 C ATOM 217 CG MET A 17 -42.643 9.722 15.540 1.00 0.00 C ATOM 218 SD MET A 17 -42.110 8.286 14.624 1.00 0.00 S ATOM 219 CE MET A 17 -41.722 7.184 15.973 1.00 0.00 C ATOM 0 H MET A 17 -43.876 10.848 17.447 1.00 0.00 H new ATOM 0 HA MET A 17 -46.073 10.213 15.634 1.00 0.00 H new ATOM 0 HB2 MET A 17 -44.228 9.704 14.078 1.00 0.00 H new ATOM 0 HB3 MET A 17 -43.962 11.269 14.820 1.00 0.00 H new ATOM 0 HG2 MET A 17 -41.907 10.520 15.442 1.00 0.00 H new ATOM 0 HG3 MET A 17 -42.713 9.481 16.601 1.00 0.00 H new ATOM 0 HE1 MET A 17 -41.071 6.386 15.615 1.00 0.00 H new ATOM 0 HE2 MET A 17 -41.215 7.739 16.762 1.00 0.00 H new ATOM 0 HE3 MET A 17 -42.642 6.753 16.367 1.00 0.00 H new ATOM 229 N PRO A 18 -45.903 7.678 15.442 1.00 0.00 N ATOM 230 CA PRO A 18 -46.039 6.239 15.587 1.00 0.00 C ATOM 231 C PRO A 18 -44.761 5.520 15.149 1.00 0.00 C ATOM 232 O PRO A 18 -44.179 5.853 14.118 1.00 0.00 O ATOM 233 CB PRO A 18 -47.246 5.870 14.741 1.00 0.00 C ATOM 234 CG PRO A 18 -47.459 7.036 13.789 1.00 0.00 C ATOM 235 CD PRO A 18 -46.632 8.207 14.293 1.00 0.00 C ATOM 0 HA PRO A 18 -46.187 5.934 16.623 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -47.070 4.945 14.192 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -48.126 5.709 15.364 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -47.157 6.763 12.778 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -48.514 7.305 13.745 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -45.950 8.570 13.524 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -47.266 9.046 14.579 1.00 0.00 H new ATOM 243 N TYR A 19 -44.361 4.548 15.956 1.00 0.00 N ATOM 244 CA TYR A 19 -43.163 3.780 15.665 1.00 0.00 C ATOM 245 C TYR A 19 -43.478 2.598 14.746 1.00 0.00 C ATOM 246 O TYR A 19 -44.291 1.740 15.089 1.00 0.00 O ATOM 247 CB TYR A 19 -42.667 3.246 17.010 1.00 0.00 C ATOM 248 CG TYR A 19 -41.775 2.007 16.898 1.00 0.00 C ATOM 249 CD1 TYR A 19 -40.415 2.151 16.713 1.00 0.00 C ATOM 250 CD2 TYR A 19 -42.331 0.747 16.983 1.00 0.00 C ATOM 251 CE1 TYR A 19 -39.576 0.986 16.607 1.00 0.00 C ATOM 252 CE2 TYR A 19 -41.491 -0.418 16.877 1.00 0.00 C ATOM 253 CZ TYR A 19 -40.155 -0.241 16.694 1.00 0.00 C ATOM 254 OH TYR A 19 -39.363 -1.342 16.595 1.00 0.00 O ATOM 0 H TYR A 19 -44.846 4.275 16.811 1.00 0.00 H new ATOM 0 HA TYR A 19 -42.422 4.402 15.163 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -42.114 4.034 17.520 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -43.528 3.006 17.634 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -39.980 3.137 16.648 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -43.395 0.635 17.129 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -38.510 1.085 16.462 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -41.913 -1.410 16.941 1.00 0.00 H new ATOM 0 HH TYR A 19 -39.913 -2.149 16.676 1.00 0.00 H new ATOM 264 N GLY A 20 -42.820 2.591 13.596 1.00 0.00 N ATOM 265 CA GLY A 20 -43.021 1.528 12.626 1.00 0.00 C ATOM 266 C GLY A 20 -41.836 1.434 11.663 1.00 0.00 C ATOM 267 O GLY A 20 -40.763 0.962 12.037 1.00 0.00 O ATOM 0 H GLY A 20 -42.147 3.304 13.314 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -43.150 0.578 13.144 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -43.937 1.712 12.064 1.00 0.00 H new ATOM 271 N TYR A 21 -42.069 1.892 10.441 1.00 0.00 N ATOM 272 CA TYR A 21 -41.034 1.865 9.422 1.00 0.00 C ATOM 273 C TYR A 21 -39.793 2.635 9.880 1.00 0.00 C ATOM 274 O TYR A 21 -38.709 2.458 9.327 1.00 0.00 O ATOM 275 CB TYR A 21 -41.629 2.563 8.198 1.00 0.00 C ATOM 276 CG TYR A 21 -40.599 2.930 7.128 1.00 0.00 C ATOM 277 CD1 TYR A 21 -39.923 1.936 6.451 1.00 0.00 C ATOM 278 CD2 TYR A 21 -40.345 4.256 6.841 1.00 0.00 C ATOM 279 CE1 TYR A 21 -38.953 2.282 5.444 1.00 0.00 C ATOM 280 CE2 TYR A 21 -39.375 4.602 5.834 1.00 0.00 C ATOM 281 CZ TYR A 21 -38.727 3.598 5.185 1.00 0.00 C ATOM 282 OH TYR A 21 -37.811 3.924 4.234 1.00 0.00 O ATOM 0 H TYR A 21 -42.959 2.284 10.134 1.00 0.00 H new ATOM 0 HA TYR A 21 -40.729 0.840 9.212 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -42.384 1.914 7.754 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -42.140 3.470 8.522 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -40.121 0.898 6.676 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -40.874 5.034 7.372 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -38.417 1.514 4.907 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -39.167 5.636 5.600 1.00 0.00 H new ATOM 0 HH TYR A 21 -37.754 4.899 4.155 1.00 0.00 H new ATOM 292 N ALA A 22 -39.994 3.473 10.886 1.00 0.00 N ATOM 293 CA ALA A 22 -38.906 4.271 11.425 1.00 0.00 C ATOM 294 C ALA A 22 -38.218 3.494 12.550 1.00 0.00 C ATOM 295 O ALA A 22 -37.468 4.069 13.336 1.00 0.00 O ATOM 296 CB ALA A 22 -39.447 5.622 11.895 1.00 0.00 C ATOM 0 H ALA A 22 -40.895 3.617 11.342 1.00 0.00 H new ATOM 0 HA ALA A 22 -38.159 4.470 10.657 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -38.630 6.220 12.299 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -39.898 6.146 11.053 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -40.198 5.464 12.669 1.00 0.00 H new ATOM 302 N ALA A 23 -38.500 2.200 12.590 1.00 0.00 N ATOM 303 CA ALA A 23 -37.918 1.339 13.605 1.00 0.00 C ATOM 304 C ALA A 23 -36.465 1.034 13.238 1.00 0.00 C ATOM 305 O ALA A 23 -35.746 0.399 14.008 1.00 0.00 O ATOM 306 CB ALA A 23 -38.763 0.070 13.744 1.00 0.00 C ATOM 0 H ALA A 23 -39.124 1.727 11.936 1.00 0.00 H new ATOM 0 HA ALA A 23 -37.915 1.837 14.575 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -38.326 -0.576 14.506 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -39.778 0.339 14.035 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -38.787 -0.458 12.791 1.00 0.00 H new ATOM 312 N GLN A 24 -36.075 1.502 12.061 1.00 0.00 N ATOM 313 CA GLN A 24 -34.720 1.287 11.582 1.00 0.00 C ATOM 314 C GLN A 24 -33.790 2.381 12.111 1.00 0.00 C ATOM 315 O GLN A 24 -32.589 2.362 11.846 1.00 0.00 O ATOM 316 CB GLN A 24 -34.682 1.227 10.053 1.00 0.00 C ATOM 317 CG GLN A 24 -34.743 -0.220 9.560 1.00 0.00 C ATOM 318 CD GLN A 24 -35.855 -0.400 8.524 1.00 0.00 C ATOM 319 OE1 GLN A 24 -36.538 0.535 8.141 1.00 0.00 O ATOM 320 NE2 GLN A 24 -35.997 -1.650 8.094 1.00 0.00 N ATOM 0 H GLN A 24 -36.674 2.029 11.425 1.00 0.00 H new ATOM 0 HA GLN A 24 -34.370 0.326 11.959 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -35.520 1.791 9.642 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -33.770 1.701 9.689 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -33.785 -0.500 9.122 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -34.915 -0.888 10.404 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -35.391 -2.386 8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -36.712 -1.873 7.402 1.00 0.00 H new ATOM 329 N ALA A 25 -34.382 3.310 12.848 1.00 0.00 N ATOM 330 CA ALA A 25 -33.621 4.410 13.416 1.00 0.00 C ATOM 331 C ALA A 25 -32.550 3.853 14.356 1.00 0.00 C ATOM 332 O ALA A 25 -31.568 4.530 14.654 1.00 0.00 O ATOM 333 CB ALA A 25 -34.573 5.376 14.125 1.00 0.00 C ATOM 0 H ALA A 25 -35.379 3.323 13.065 1.00 0.00 H new ATOM 0 HA ALA A 25 -33.112 4.970 12.631 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -34.003 6.201 14.551 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -35.296 5.766 13.408 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -35.099 4.849 14.921 1.00 0.00 H new ATOM 339 N ARG A 26 -32.777 2.624 14.797 1.00 0.00 N ATOM 340 CA ARG A 26 -31.843 1.968 15.697 1.00 0.00 C ATOM 341 C ARG A 26 -30.570 1.574 14.945 1.00 0.00 C ATOM 342 O ARG A 26 -29.485 1.549 15.525 1.00 0.00 O ATOM 343 CB ARG A 26 -32.466 0.718 16.321 1.00 0.00 C ATOM 344 CG ARG A 26 -32.235 0.686 17.833 1.00 0.00 C ATOM 345 CD ARG A 26 -33.532 0.369 18.580 1.00 0.00 C ATOM 346 NE ARG A 26 -33.602 -1.078 18.881 1.00 0.00 N ATOM 347 CZ ARG A 26 -34.729 -1.718 19.258 1.00 0.00 C ATOM 348 NH1 ARG A 26 -35.892 -1.044 19.382 1.00 0.00 N ATOM 349 NH2 ARG A 26 -34.677 -3.014 19.503 1.00 0.00 N ATOM 0 H ARG A 26 -33.593 2.066 14.548 1.00 0.00 H new ATOM 0 HA ARG A 26 -31.597 2.673 16.491 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -33.536 0.698 16.113 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -32.036 -0.173 15.865 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -31.481 -0.063 18.073 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -31.846 1.648 18.165 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -33.578 0.944 19.505 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -34.390 0.665 17.977 1.00 0.00 H new ATOM 0 HE ARG A 26 -32.746 -1.626 18.798 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -35.924 -0.043 19.190 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -36.739 -1.536 19.667 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -33.795 -3.516 19.406 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -35.519 -3.513 19.789 1.00 0.00 H new ATOM 362 N ALA A 27 -30.744 1.276 13.666 1.00 0.00 N ATOM 363 CA ALA A 27 -29.622 0.885 12.830 1.00 0.00 C ATOM 364 C ALA A 27 -28.721 2.099 12.591 1.00 0.00 C ATOM 365 O ALA A 27 -27.510 1.956 12.435 1.00 0.00 O ATOM 366 CB ALA A 27 -30.144 0.281 11.524 1.00 0.00 C ATOM 0 H ALA A 27 -31.645 1.297 13.188 1.00 0.00 H new ATOM 0 HA ALA A 27 -29.022 0.122 13.326 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -29.302 -0.012 10.897 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -30.753 -0.595 11.746 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -30.749 1.020 10.998 1.00 0.00 H new ATOM 372 N ARG A 28 -29.349 3.265 12.570 1.00 0.00 N ATOM 373 CA ARG A 28 -28.619 4.503 12.353 1.00 0.00 C ATOM 374 C ARG A 28 -27.602 4.723 13.474 1.00 0.00 C ATOM 375 O ARG A 28 -26.548 5.319 13.253 1.00 0.00 O ATOM 376 CB ARG A 28 -29.570 5.700 12.294 1.00 0.00 C ATOM 377 CG ARG A 28 -29.025 6.789 11.368 1.00 0.00 C ATOM 378 CD ARG A 28 -30.155 7.453 10.579 1.00 0.00 C ATOM 379 NE ARG A 28 -29.704 8.761 10.052 1.00 0.00 N ATOM 380 CZ ARG A 28 -30.432 9.532 9.217 1.00 0.00 C ATOM 381 NH1 ARG A 28 -31.654 9.133 8.806 1.00 0.00 N ATOM 382 NH2 ARG A 28 -29.930 10.683 8.808 1.00 0.00 N ATOM 0 H ARG A 28 -30.354 3.379 12.700 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.100 4.419 11.398 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -30.549 5.374 11.941 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.711 6.106 13.295 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -28.497 7.540 11.955 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -28.301 6.356 10.678 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -30.464 6.807 9.757 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -31.025 7.591 11.220 1.00 0.00 H new ATOM 0 HE ARG A 28 -28.786 9.101 10.338 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -32.034 8.242 9.127 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -32.197 9.722 8.175 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -29.006 10.977 9.123 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -30.467 11.278 8.177 1.00 0.00 H new ATOM 395 N GLU A 29 -27.952 4.231 14.653 1.00 0.00 N ATOM 396 CA GLU A 29 -27.083 4.366 15.809 1.00 0.00 C ATOM 397 C GLU A 29 -25.988 3.297 15.778 1.00 0.00 C ATOM 398 O GLU A 29 -24.917 3.484 16.352 1.00 0.00 O ATOM 399 CB GLU A 29 -27.885 4.292 17.110 1.00 0.00 C ATOM 400 CG GLU A 29 -27.698 5.562 17.943 1.00 0.00 C ATOM 401 CD GLU A 29 -28.867 5.761 18.909 1.00 0.00 C ATOM 402 OE1 GLU A 29 -29.295 4.804 19.571 1.00 0.00 O ATOM 403 OE2 GLU A 29 -29.334 6.963 18.959 1.00 0.00 O ATOM 0 H GLU A 29 -28.827 3.738 14.833 1.00 0.00 H new ATOM 0 HA GLU A 29 -26.608 5.346 15.769 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -28.942 4.155 16.882 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -27.568 3.424 17.688 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -26.765 5.500 18.503 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -27.616 6.425 17.283 1.00 0.00 H new ATOM 411 N ARG A 30 -26.296 2.200 15.102 1.00 0.00 N ATOM 412 CA ARG A 30 -25.352 1.102 14.988 1.00 0.00 C ATOM 413 C ARG A 30 -24.471 1.284 13.750 1.00 0.00 C ATOM 414 O ARG A 30 -23.328 0.831 13.725 1.00 0.00 O ATOM 415 CB ARG A 30 -26.078 -0.242 14.896 1.00 0.00 C ATOM 416 CG ARG A 30 -26.185 -0.903 16.271 1.00 0.00 C ATOM 417 CD ARG A 30 -27.618 -0.832 16.804 1.00 0.00 C ATOM 418 NE ARG A 30 -27.794 -1.797 17.913 1.00 0.00 N ATOM 419 CZ ARG A 30 -27.954 -3.126 17.741 1.00 0.00 C ATOM 420 NH1 ARG A 30 -27.962 -3.661 16.502 1.00 0.00 N ATOM 421 NH2 ARG A 30 -28.103 -3.895 18.804 1.00 0.00 N ATOM 0 H ARG A 30 -27.186 2.048 14.628 1.00 0.00 H new ATOM 0 HA ARG A 30 -24.731 1.106 15.883 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -27.075 -0.093 14.482 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -25.544 -0.902 14.212 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -25.870 -1.944 16.203 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -25.509 -0.410 16.969 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -27.836 0.178 17.152 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -28.324 -1.053 16.003 1.00 0.00 H new ATOM 0 HE ARG A 30 -27.794 -1.435 18.867 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -27.847 -3.060 15.686 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -28.083 -4.667 16.381 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -28.096 -3.483 19.737 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -28.225 -4.901 18.692 1.00 0.00 H new ATOM 434 N GLU A 31 -25.038 1.949 12.754 1.00 0.00 N ATOM 435 CA GLU A 31 -24.319 2.196 11.515 1.00 0.00 C ATOM 436 C GLU A 31 -23.212 3.228 11.742 1.00 0.00 C ATOM 437 O GLU A 31 -22.244 3.282 10.984 1.00 0.00 O ATOM 438 CB GLU A 31 -25.273 2.650 10.409 1.00 0.00 C ATOM 439 CG GLU A 31 -24.815 2.131 9.044 1.00 0.00 C ATOM 440 CD GLU A 31 -25.535 2.864 7.910 1.00 0.00 C ATOM 441 OE1 GLU A 31 -26.391 2.273 7.235 1.00 0.00 O ATOM 442 OE2 GLU A 31 -25.177 4.092 7.740 1.00 0.00 O ATOM 0 H GLU A 31 -25.986 2.324 12.779 1.00 0.00 H new ATOM 0 HA GLU A 31 -23.859 1.262 11.192 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -26.279 2.289 10.621 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -25.322 3.739 10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.738 2.265 8.943 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -25.011 1.061 8.973 1.00 0.00 H new ATOM 450 N ARG A 32 -23.392 4.022 12.787 1.00 0.00 N ATOM 451 CA ARG A 32 -22.421 5.049 13.123 1.00 0.00 C ATOM 452 C ARG A 32 -21.054 4.418 13.396 1.00 0.00 C ATOM 453 O ARG A 32 -20.020 5.044 13.164 1.00 0.00 O ATOM 454 CB ARG A 32 -22.862 5.845 14.353 1.00 0.00 C ATOM 455 CG ARG A 32 -23.256 7.273 13.971 1.00 0.00 C ATOM 456 CD ARG A 32 -23.398 8.154 15.213 1.00 0.00 C ATOM 457 NE ARG A 32 -22.063 8.459 15.773 1.00 0.00 N ATOM 458 CZ ARG A 32 -21.804 9.504 16.588 1.00 0.00 C ATOM 459 NH1 ARG A 32 -22.790 10.354 16.945 1.00 0.00 N ATOM 460 NH2 ARG A 32 -20.573 9.683 17.029 1.00 0.00 N ATOM 0 H ARG A 32 -24.196 3.975 13.412 1.00 0.00 H new ATOM 0 HA ARG A 32 -22.349 5.727 12.273 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -23.706 5.346 14.830 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -22.053 5.870 15.083 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -22.504 7.696 13.305 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -24.197 7.260 13.421 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -23.913 9.079 14.955 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -24.008 7.647 15.961 1.00 0.00 H new ATOM 0 HE ARG A 32 -21.289 7.841 15.528 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -23.738 10.209 16.599 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -22.587 11.141 17.561 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.834 9.037 16.753 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.361 10.468 17.645 1.00 0.00 H new ATOM 473 N LEU A 33 -21.093 3.188 13.885 1.00 0.00 N ATOM 474 CA LEU A 33 -19.870 2.465 14.192 1.00 0.00 C ATOM 475 C LEU A 33 -19.415 1.692 12.953 1.00 0.00 C ATOM 476 O LEU A 33 -18.282 1.216 12.895 1.00 0.00 O ATOM 477 CB LEU A 33 -20.063 1.586 15.429 1.00 0.00 C ATOM 478 CG LEU A 33 -19.048 1.783 16.557 1.00 0.00 C ATOM 479 CD1 LEU A 33 -19.716 2.377 17.799 1.00 0.00 C ATOM 480 CD2 LEU A 33 -18.316 0.476 16.869 1.00 0.00 C ATOM 0 H LEU A 33 -21.952 2.673 14.077 1.00 0.00 H new ATOM 0 HA LEU A 33 -19.070 3.160 14.446 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -21.060 1.769 15.828 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -20.032 0.542 15.117 1.00 0.00 H new ATOM 0 HG LEU A 33 -18.299 2.500 16.221 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -18.972 2.507 18.585 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -20.153 3.344 17.550 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -20.499 1.704 18.148 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -17.600 0.643 17.674 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -19.038 -0.281 17.176 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -17.788 0.133 15.979 1.00 0.00 H new ATOM 492 N ALA A 34 -20.321 1.591 11.992 1.00 0.00 N ATOM 493 CA ALA A 34 -20.027 0.883 10.757 1.00 0.00 C ATOM 494 C ALA A 34 -19.264 1.812 9.811 1.00 0.00 C ATOM 495 O ALA A 34 -18.987 1.449 8.669 1.00 0.00 O ATOM 496 CB ALA A 34 -21.329 0.366 10.143 1.00 0.00 C ATOM 0 H ALA A 34 -21.259 1.988 12.043 1.00 0.00 H new ATOM 0 HA ALA A 34 -19.393 0.018 10.952 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -21.109 -0.165 9.217 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -21.817 -0.312 10.843 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -21.990 1.206 9.931 1.00 0.00 H new ATOM 502 N HIS A 35 -18.947 2.993 10.321 1.00 0.00 N ATOM 503 CA HIS A 35 -18.222 3.977 9.536 1.00 0.00 C ATOM 504 C HIS A 35 -16.717 3.792 9.744 1.00 0.00 C ATOM 505 O HIS A 35 -15.911 4.364 9.012 1.00 0.00 O ATOM 506 CB HIS A 35 -18.697 5.394 9.867 1.00 0.00 C ATOM 507 CG HIS A 35 -19.710 5.945 8.893 1.00 0.00 C ATOM 508 ND1 HIS A 35 -19.553 5.862 7.521 1.00 0.00 N ATOM 509 CD2 HIS A 35 -20.894 6.587 9.107 1.00 0.00 C ATOM 510 CE1 HIS A 35 -20.601 6.432 6.944 1.00 0.00 C ATOM 511 NE2 HIS A 35 -21.431 6.881 7.929 1.00 0.00 N ATOM 0 H HIS A 35 -19.179 3.291 11.269 1.00 0.00 H new ATOM 0 HA HIS A 35 -18.428 3.826 8.476 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -19.131 5.396 10.867 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -17.834 6.059 9.893 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -21.322 6.817 10.071 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -20.768 6.525 5.881 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -22.318 7.363 7.784 1.00 0.00 H new ATOM 519 N SER A 36 -16.385 2.992 10.746 1.00 0.00 N ATOM 520 CA SER A 36 -14.992 2.724 11.060 1.00 0.00 C ATOM 521 C SER A 36 -14.505 1.502 10.279 1.00 0.00 C ATOM 522 O SER A 36 -13.303 1.314 10.100 1.00 0.00 O ATOM 523 CB SER A 36 -14.797 2.507 12.562 1.00 0.00 C ATOM 524 OG SER A 36 -13.462 2.120 12.877 1.00 0.00 O ATOM 0 H SER A 36 -17.057 2.520 11.351 1.00 0.00 H new ATOM 0 HA SER A 36 -14.403 3.593 10.767 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.044 3.425 13.096 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.489 1.740 12.910 1.00 0.00 H new ATOM 0 HG SER A 36 -13.378 1.993 13.845 1.00 0.00 H new ATOM 530 N ARG A 37 -15.464 0.702 9.836 1.00 0.00 N ATOM 531 CA ARG A 37 -15.148 -0.497 9.078 1.00 0.00 C ATOM 532 C ARG A 37 -15.096 -0.181 7.582 1.00 0.00 C ATOM 533 O ARG A 37 -15.063 -1.090 6.753 1.00 0.00 O ATOM 534 CB ARG A 37 -16.185 -1.594 9.326 1.00 0.00 C ATOM 535 CG ARG A 37 -15.511 -2.957 9.497 1.00 0.00 C ATOM 536 CD ARG A 37 -15.679 -3.476 10.927 1.00 0.00 C ATOM 537 NE ARG A 37 -16.545 -4.677 10.931 1.00 0.00 N ATOM 538 CZ ARG A 37 -17.075 -5.223 12.045 1.00 0.00 C ATOM 539 NH1 ARG A 37 -16.833 -4.680 13.257 1.00 0.00 N ATOM 540 NH2 ARG A 37 -17.835 -6.297 11.932 1.00 0.00 N ATOM 0 H ARG A 37 -16.460 0.861 9.987 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.173 -0.853 9.411 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.765 -1.356 10.218 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -16.885 -1.633 8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.942 -3.670 8.794 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.451 -2.875 9.258 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.705 -3.719 11.351 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.116 -2.700 11.555 1.00 0.00 H new ATOM 0 HE ARG A 37 -16.754 -5.119 10.036 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -16.245 -3.850 13.336 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.238 -5.100 14.094 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -18.013 -6.701 11.013 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.244 -6.722 12.764 1.00 0.00 H new ATOM 553 N ALA A 38 -15.092 1.109 7.282 1.00 0.00 N ATOM 554 CA ALA A 38 -15.045 1.555 5.900 1.00 0.00 C ATOM 555 C ALA A 38 -13.722 1.115 5.270 1.00 0.00 C ATOM 556 O ALA A 38 -13.708 0.282 4.364 1.00 0.00 O ATOM 557 CB ALA A 38 -15.239 3.072 5.846 1.00 0.00 C ATOM 0 H ALA A 38 -15.121 1.860 7.972 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.851 1.102 5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -15.204 3.407 4.809 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.206 3.331 6.278 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -14.446 3.561 6.412 1.00 0.00 H new ATOM 563 N ALA A 39 -12.642 1.692 5.775 1.00 0.00 N ATOM 564 CA ALA A 39 -11.317 1.369 5.274 1.00 0.00 C ATOM 565 C ALA A 39 -10.808 0.104 5.968 1.00 0.00 C ATOM 566 O ALA A 39 -9.815 0.146 6.693 1.00 0.00 O ATOM 567 CB ALA A 39 -10.386 2.565 5.484 1.00 0.00 C ATOM 0 H ALA A 39 -12.657 2.382 6.526 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.350 1.166 4.204 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.392 2.323 5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.777 3.429 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.325 2.797 6.547 1.00 0.00 H new ATOM 573 N ALA A 40 -11.511 -0.992 5.721 1.00 0.00 N ATOM 574 CA ALA A 40 -11.143 -2.266 6.313 1.00 0.00 C ATOM 575 C ALA A 40 -9.636 -2.481 6.155 1.00 0.00 C ATOM 576 O ALA A 40 -8.904 -2.520 7.143 1.00 0.00 O ATOM 577 CB ALA A 40 -11.962 -3.385 5.667 1.00 0.00 C ATOM 0 H ALA A 40 -12.334 -1.023 5.119 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.367 -2.272 7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.686 -4.341 6.111 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -13.024 -3.201 5.833 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.761 -3.411 4.596 1.00 0.00 H new ATOM 583 N ALA A 41 -9.218 -2.614 4.905 1.00 0.00 N ATOM 584 CA ALA A 41 -7.811 -2.823 4.606 1.00 0.00 C ATOM 585 C ALA A 41 -6.961 -1.964 5.543 1.00 0.00 C ATOM 586 O ALA A 41 -6.767 -0.774 5.295 1.00 0.00 O ATOM 587 CB ALA A 41 -7.552 -2.510 3.131 1.00 0.00 C ATOM 0 H ALA A 41 -9.828 -2.581 4.088 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.533 -3.864 4.773 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.497 -2.666 2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.158 -3.168 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.817 -1.472 2.927 1.00 0.00 H new ATOM 593 N ALA A 42 -6.476 -2.599 6.599 1.00 0.00 N ATOM 594 CA ALA A 42 -5.651 -1.907 7.575 1.00 0.00 C ATOM 595 C ALA A 42 -4.180 -2.251 7.328 1.00 0.00 C ATOM 596 O ALA A 42 -3.428 -1.432 6.801 1.00 0.00 O ATOM 597 CB ALA A 42 -6.107 -2.280 8.987 1.00 0.00 C ATOM 0 H ALA A 42 -6.638 -3.586 6.801 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.760 -0.827 7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.488 -1.761 9.718 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.149 -1.989 9.122 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.010 -3.356 9.128 1.00 0.00 H new ATOM 603 N ALA A 43 -3.815 -3.462 7.720 1.00 0.00 N ATOM 604 CA ALA A 43 -2.448 -3.925 7.548 1.00 0.00 C ATOM 605 C ALA A 43 -2.043 -3.769 6.080 1.00 0.00 C ATOM 606 O ALA A 43 -0.856 -3.748 5.760 1.00 0.00 O ATOM 607 CB ALA A 43 -2.333 -5.370 8.034 1.00 0.00 C ATOM 0 H ALA A 43 -4.442 -4.138 8.157 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.761 -3.325 8.146 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.308 -5.717 7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.603 -5.422 9.089 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.006 -6.003 7.455 1.00 0.00 H new ATOM 613 N VAL A 44 -3.053 -3.663 5.229 1.00 0.00 N ATOM 614 CA VAL A 44 -2.816 -3.510 3.803 1.00 0.00 C ATOM 615 C VAL A 44 -2.739 -2.021 3.461 1.00 0.00 C ATOM 616 O VAL A 44 -2.035 -1.630 2.531 1.00 0.00 O ATOM 617 CB VAL A 44 -3.896 -4.251 3.011 1.00 0.00 C ATOM 618 CG1 VAL A 44 -4.383 -3.410 1.830 1.00 0.00 C ATOM 619 CG2 VAL A 44 -3.391 -5.617 2.541 1.00 0.00 C ATOM 0 H VAL A 44 -4.036 -3.680 5.499 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.862 -3.958 3.523 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.744 -4.418 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.150 -3.959 1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.801 -2.473 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.546 -3.197 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.178 -6.123 1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.519 -5.482 1.901 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.116 -6.221 3.406 1.00 0.00 H new ATOM 629 N ALA A 45 -3.473 -1.231 4.230 1.00 0.00 N ATOM 630 CA ALA A 45 -3.497 0.207 4.020 1.00 0.00 C ATOM 631 C ALA A 45 -2.061 0.729 3.930 1.00 0.00 C ATOM 632 O ALA A 45 -1.696 1.389 2.959 1.00 0.00 O ATOM 633 CB ALA A 45 -4.290 0.875 5.144 1.00 0.00 C ATOM 0 H ALA A 45 -4.056 -1.559 5.000 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.996 0.449 3.081 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.308 1.953 4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.310 0.492 5.147 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.818 0.656 6.102 1.00 0.00 H new ATOM 639 N ALA A 46 -1.285 0.413 4.957 1.00 0.00 N ATOM 640 CA ALA A 46 0.102 0.842 5.007 1.00 0.00 C ATOM 641 C ALA A 46 0.908 0.068 3.961 1.00 0.00 C ATOM 642 O ALA A 46 1.516 0.665 3.074 1.00 0.00 O ATOM 643 CB ALA A 46 0.646 0.647 6.423 1.00 0.00 C ATOM 0 H ALA A 46 -1.591 -0.135 5.761 1.00 0.00 H new ATOM 0 HA ALA A 46 0.185 1.903 4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.687 0.969 6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.058 1.239 7.124 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.582 -0.406 6.695 1.00 0.00 H new ATOM 649 N ALA A 47 0.886 -1.250 4.099 1.00 0.00 N ATOM 650 CA ALA A 47 1.607 -2.111 3.178 1.00 0.00 C ATOM 651 C ALA A 47 1.076 -1.891 1.760 1.00 0.00 C ATOM 652 O ALA A 47 0.384 -0.909 1.498 1.00 0.00 O ATOM 653 CB ALA A 47 1.476 -3.567 3.631 1.00 0.00 C ATOM 0 H ALA A 47 0.380 -1.742 4.835 1.00 0.00 H new ATOM 0 HA ALA A 47 2.669 -1.866 3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.017 -4.213 2.940 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.894 -3.676 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.424 -3.851 3.644 1.00 0.00 H new ATOM 659 N THR A 48 1.420 -2.822 0.882 1.00 0.00 N ATOM 660 CA THR A 48 0.987 -2.743 -0.502 1.00 0.00 C ATOM 661 C THR A 48 1.546 -1.482 -1.164 1.00 0.00 C ATOM 662 O THR A 48 0.788 -0.618 -1.602 1.00 0.00 O ATOM 663 CB THR A 48 -0.541 -2.814 -0.524 1.00 0.00 C ATOM 664 OG1 THR A 48 -0.832 -4.156 -0.142 1.00 0.00 O ATOM 665 CG2 THR A 48 -1.113 -2.696 -1.938 1.00 0.00 C ATOM 0 H THR A 48 1.994 -3.636 1.103 1.00 0.00 H new ATOM 0 HA THR A 48 1.374 -3.578 -1.086 1.00 0.00 H new ATOM 0 HB THR A 48 -0.950 -2.019 0.100 1.00 0.00 H new ATOM 0 HG1 THR A 48 -1.803 -4.289 -0.129 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.201 -2.752 -1.896 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.816 -1.742 -2.372 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.731 -3.510 -2.554 1.00 0.00 H new ATOM 673 N ALA A 49 2.868 -1.417 -1.217 1.00 0.00 N ATOM 674 CA ALA A 49 3.538 -0.277 -1.819 1.00 0.00 C ATOM 675 C ALA A 49 2.925 0.003 -3.192 1.00 0.00 C ATOM 676 O ALA A 49 2.188 -0.824 -3.727 1.00 0.00 O ATOM 677 CB ALA A 49 5.041 -0.549 -1.896 1.00 0.00 C ATOM 0 H ALA A 49 3.493 -2.136 -0.853 1.00 0.00 H new ATOM 0 HA ALA A 49 3.400 0.615 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.543 0.307 -2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.433 -0.711 -0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.220 -1.436 -2.503 1.00 0.00 H new ATOM 683 N ALA A 50 3.251 1.172 -3.724 1.00 0.00 N ATOM 684 CA ALA A 50 2.742 1.571 -5.025 1.00 0.00 C ATOM 685 C ALA A 50 3.640 0.992 -6.119 1.00 0.00 C ATOM 686 O ALA A 50 4.075 1.712 -7.016 1.00 0.00 O ATOM 687 CB ALA A 50 2.652 3.097 -5.092 1.00 0.00 C ATOM 0 H ALA A 50 3.862 1.856 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 50 1.737 1.178 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.270 3.396 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.979 3.456 -4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.642 3.527 -4.942 1.00 0.00 H new ATOM 693 N VAL A 51 3.892 -0.304 -6.009 1.00 0.00 N ATOM 694 CA VAL A 51 4.731 -0.989 -6.978 1.00 0.00 C ATOM 695 C VAL A 51 4.172 -2.391 -7.230 1.00 0.00 C ATOM 696 O VAL A 51 4.885 -3.382 -7.086 1.00 0.00 O ATOM 697 CB VAL A 51 6.183 -1.002 -6.496 1.00 0.00 C ATOM 698 CG1 VAL A 51 7.048 -1.896 -7.387 1.00 0.00 C ATOM 699 CG2 VAL A 51 6.751 0.417 -6.427 1.00 0.00 C ATOM 0 H VAL A 51 3.530 -0.898 -5.263 1.00 0.00 H new ATOM 0 HA VAL A 51 4.723 -0.460 -7.931 1.00 0.00 H new ATOM 0 HB VAL A 51 6.198 -1.418 -5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.075 -1.888 -7.023 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.663 -2.915 -7.363 1.00 0.00 H new ATOM 0 HG13 VAL A 51 7.023 -1.523 -8.411 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.784 0.379 -6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.716 0.872 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.158 1.013 -5.733 1.00 0.00 H new ATOM 709 N GLU A 52 2.901 -2.428 -7.602 1.00 0.00 N ATOM 710 CA GLU A 52 2.238 -3.692 -7.876 1.00 0.00 C ATOM 711 C GLU A 52 3.052 -4.512 -8.879 1.00 0.00 C ATOM 712 O GLU A 52 3.964 -3.990 -9.518 1.00 0.00 O ATOM 713 CB GLU A 52 0.812 -3.465 -8.382 1.00 0.00 C ATOM 714 CG GLU A 52 -0.145 -4.514 -7.814 1.00 0.00 C ATOM 715 CD GLU A 52 -1.358 -3.852 -7.157 1.00 0.00 C ATOM 716 OE1 GLU A 52 -1.243 -3.309 -6.049 1.00 0.00 O ATOM 717 OE2 GLU A 52 -2.450 -3.915 -7.841 1.00 0.00 O ATOM 0 H GLU A 52 2.313 -1.603 -7.720 1.00 0.00 H new ATOM 0 HA GLU A 52 2.172 -4.255 -6.945 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.476 -2.468 -8.097 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.798 -3.507 -9.471 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.477 -5.179 -8.612 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.378 -5.130 -7.083 1.00 0.00 H new ATOM 725 N GLY A 53 2.693 -5.783 -8.985 1.00 0.00 N ATOM 726 CA GLY A 53 3.378 -6.680 -9.900 1.00 0.00 C ATOM 727 C GLY A 53 2.886 -8.118 -9.729 1.00 0.00 C ATOM 728 O GLY A 53 2.056 -8.590 -10.504 1.00 0.00 O ATOM 0 H GLY A 53 1.937 -6.213 -8.452 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.211 -6.355 -10.927 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.452 -6.636 -9.722 1.00 0.00 H new ATOM 732 N THR A 54 3.418 -8.775 -8.709 1.00 0.00 N ATOM 733 CA THR A 54 3.044 -10.150 -8.426 1.00 0.00 C ATOM 734 C THR A 54 3.079 -10.987 -9.707 1.00 0.00 C ATOM 735 O THR A 54 3.628 -10.555 -10.719 1.00 0.00 O ATOM 736 CB THR A 54 1.672 -10.136 -7.747 1.00 0.00 C ATOM 737 OG1 THR A 54 1.490 -11.479 -7.306 1.00 0.00 O ATOM 738 CG2 THR A 54 0.530 -9.912 -8.740 1.00 0.00 C ATOM 0 H THR A 54 4.106 -8.380 -8.068 1.00 0.00 H new ATOM 0 HA THR A 54 3.755 -10.622 -7.747 1.00 0.00 H new ATOM 0 HB THR A 54 1.651 -9.355 -6.987 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.625 -11.560 -6.852 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.421 -9.911 -8.207 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.666 -8.954 -9.241 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.530 -10.712 -9.481 1.00 0.00 H new ATOM 746 N GLY A 55 2.488 -12.169 -9.620 1.00 0.00 N ATOM 747 CA GLY A 55 2.445 -13.070 -10.759 1.00 0.00 C ATOM 748 C GLY A 55 3.680 -13.972 -10.791 1.00 0.00 C ATOM 749 O GLY A 55 4.800 -13.492 -10.960 1.00 0.00 O ATOM 0 H GLY A 55 2.035 -12.524 -8.778 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.544 -13.682 -10.709 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.388 -12.493 -11.682 1.00 0.00 H new ATOM 753 N GLY A 56 3.435 -15.264 -10.626 1.00 0.00 N ATOM 754 CA GLY A 56 4.513 -16.237 -10.634 1.00 0.00 C ATOM 755 C GLY A 56 4.060 -17.562 -10.016 1.00 0.00 C ATOM 756 O GLY A 56 4.406 -17.870 -8.877 1.00 0.00 O ATOM 0 H GLY A 56 2.505 -15.659 -10.486 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.849 -16.405 -11.657 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.365 -15.845 -10.079 1.00 0.00 H new ATOM 760 N SER A 57 3.293 -18.310 -10.796 1.00 0.00 N ATOM 761 CA SER A 57 2.790 -19.594 -10.339 1.00 0.00 C ATOM 762 C SER A 57 3.355 -20.718 -11.211 1.00 0.00 C ATOM 763 O SER A 57 3.359 -20.615 -12.436 1.00 0.00 O ATOM 764 CB SER A 57 1.260 -19.625 -10.361 1.00 0.00 C ATOM 765 OG SER A 57 0.733 -20.581 -9.445 1.00 0.00 O ATOM 0 H SER A 57 3.008 -18.051 -11.741 1.00 0.00 H new ATOM 0 HA SER A 57 3.116 -19.742 -9.309 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.874 -18.636 -10.115 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.916 -19.860 -11.368 1.00 0.00 H new ATOM 0 HG SER A 57 -0.246 -20.569 -9.487 1.00 0.00 H new ATOM 771 N GLY A 58 3.820 -21.764 -10.543 1.00 0.00 N ATOM 772 CA GLY A 58 4.386 -22.905 -11.242 1.00 0.00 C ATOM 773 C GLY A 58 4.783 -24.008 -10.258 1.00 0.00 C ATOM 774 O GLY A 58 4.008 -24.363 -9.372 1.00 0.00 O ATOM 0 H GLY A 58 3.816 -21.845 -9.526 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.661 -23.294 -11.957 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.260 -22.590 -11.813 1.00 0.00 H new ATOM 778 N GLY A 59 5.991 -24.519 -10.447 1.00 0.00 N ATOM 779 CA GLY A 59 6.500 -25.574 -9.588 1.00 0.00 C ATOM 780 C GLY A 59 7.118 -26.704 -10.414 1.00 0.00 C ATOM 781 O GLY A 59 6.604 -27.055 -11.474 1.00 0.00 O ATOM 0 H GLY A 59 6.632 -24.222 -11.183 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.247 -25.165 -8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.691 -25.969 -8.973 1.00 0.00 H new ATOM 785 N GLY A 60 8.213 -27.242 -9.896 1.00 0.00 N ATOM 786 CA GLY A 60 8.906 -28.325 -10.572 1.00 0.00 C ATOM 787 C GLY A 60 10.408 -28.049 -10.653 1.00 0.00 C ATOM 788 O GLY A 60 11.191 -28.623 -9.898 1.00 0.00 O ATOM 0 H GLY A 60 8.637 -26.948 -9.016 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.733 -29.260 -10.040 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.501 -28.450 -11.576 1.00 0.00 H new ATOM 792 N PRO A 61 10.776 -27.145 -11.601 1.00 0.00 N ATOM 793 CA PRO A 61 12.171 -26.785 -11.790 1.00 0.00 C ATOM 794 C PRO A 61 12.656 -25.861 -10.671 1.00 0.00 C ATOM 795 O PRO A 61 11.964 -24.914 -10.300 1.00 0.00 O ATOM 796 CB PRO A 61 12.226 -26.135 -13.163 1.00 0.00 C ATOM 797 CG PRO A 61 10.797 -25.735 -13.493 1.00 0.00 C ATOM 798 CD PRO A 61 9.877 -26.444 -12.513 1.00 0.00 C ATOM 0 HA PRO A 61 12.838 -27.646 -11.744 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.883 -25.266 -13.157 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.619 -26.827 -13.907 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.676 -24.654 -13.417 1.00 0.00 H new ATOM 0 HG3 PRO A 61 10.550 -26.012 -14.518 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.245 -25.734 -11.979 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.212 -27.139 -13.026 1.00 0.00 H new ATOM 806 N HIS A 62 13.841 -26.169 -10.165 1.00 0.00 N ATOM 807 CA HIS A 62 14.426 -25.378 -9.096 1.00 0.00 C ATOM 808 C HIS A 62 15.756 -24.784 -9.566 1.00 0.00 C ATOM 809 O HIS A 62 16.823 -25.259 -9.180 1.00 0.00 O ATOM 810 CB HIS A 62 14.566 -26.209 -7.819 1.00 0.00 C ATOM 811 CG HIS A 62 13.662 -25.764 -6.695 1.00 0.00 C ATOM 812 ND1 HIS A 62 14.011 -24.763 -5.804 1.00 0.00 N ATOM 813 CD2 HIS A 62 12.421 -26.193 -6.326 1.00 0.00 C ATOM 814 CE1 HIS A 62 13.017 -24.606 -4.942 1.00 0.00 C ATOM 815 NE2 HIS A 62 12.033 -25.493 -5.267 1.00 0.00 N ATOM 0 H HIS A 62 14.412 -26.955 -10.475 1.00 0.00 H new ATOM 0 HA HIS A 62 13.764 -24.548 -8.849 1.00 0.00 H new ATOM 0 HB2 HIS A 62 14.353 -27.252 -8.052 1.00 0.00 H new ATOM 0 HB3 HIS A 62 15.601 -26.163 -7.479 1.00 0.00 H new ATOM 0 HD2 HIS A 62 11.851 -26.970 -6.813 1.00 0.00 H new ATOM 0 HE1 HIS A 62 12.991 -23.900 -4.125 1.00 0.00 H new ATOM 0 HE2 HIS A 62 11.145 -25.601 -4.777 1.00 0.00 H new ATOM 823 N HIS A 63 15.648 -23.754 -10.392 1.00 0.00 N ATOM 824 CA HIS A 63 16.829 -23.090 -10.918 1.00 0.00 C ATOM 825 C HIS A 63 17.888 -22.979 -9.820 1.00 0.00 C ATOM 826 O HIS A 63 18.975 -23.540 -9.941 1.00 0.00 O ATOM 827 CB HIS A 63 16.464 -21.736 -11.530 1.00 0.00 C ATOM 828 CG HIS A 63 17.206 -21.418 -12.806 1.00 0.00 C ATOM 829 ND1 HIS A 63 16.934 -22.047 -14.008 1.00 0.00 N ATOM 830 CD2 HIS A 63 18.212 -20.531 -13.054 1.00 0.00 C ATOM 831 CE1 HIS A 63 17.746 -21.554 -14.931 1.00 0.00 C ATOM 832 NE2 HIS A 63 18.538 -20.615 -14.338 1.00 0.00 N ATOM 0 H HIS A 63 14.761 -23.363 -10.710 1.00 0.00 H new ATOM 0 HA HIS A 63 17.255 -23.685 -11.726 1.00 0.00 H new ATOM 0 HB2 HIS A 63 15.393 -21.716 -11.730 1.00 0.00 H new ATOM 0 HB3 HIS A 63 16.666 -20.953 -10.800 1.00 0.00 H new ATOM 0 HD2 HIS A 63 18.666 -19.872 -12.329 1.00 0.00 H new ATOM 0 HE1 HIS A 63 17.776 -21.845 -15.971 1.00 0.00 H new ATOM 0 HE2 HIS A 63 19.261 -20.068 -14.804 1.00 0.00 H new ATOM 840 N HIS A 64 17.532 -22.249 -8.772 1.00 0.00 N ATOM 841 CA HIS A 64 18.438 -22.057 -7.652 1.00 0.00 C ATOM 842 C HIS A 64 18.573 -23.365 -6.870 1.00 0.00 C ATOM 843 O HIS A 64 17.580 -23.911 -6.391 1.00 0.00 O ATOM 844 CB HIS A 64 17.981 -20.888 -6.778 1.00 0.00 C ATOM 845 CG HIS A 64 16.622 -21.086 -6.149 1.00 0.00 C ATOM 846 ND1 HIS A 64 15.440 -20.913 -6.848 1.00 0.00 N ATOM 847 CD2 HIS A 64 16.271 -21.445 -4.881 1.00 0.00 C ATOM 848 CE1 HIS A 64 14.429 -21.158 -6.027 1.00 0.00 C ATOM 849 NE2 HIS A 64 14.946 -21.487 -4.809 1.00 0.00 N ATOM 0 H HIS A 64 16.629 -21.784 -8.675 1.00 0.00 H new ATOM 0 HA HIS A 64 19.428 -21.792 -8.022 1.00 0.00 H new ATOM 0 HB2 HIS A 64 18.716 -20.729 -5.989 1.00 0.00 H new ATOM 0 HB3 HIS A 64 17.962 -19.981 -7.383 1.00 0.00 H new ATOM 0 HD2 HIS A 64 16.955 -21.659 -4.073 1.00 0.00 H new ATOM 0 HE1 HIS A 64 13.380 -21.106 -6.278 1.00 0.00 H new ATOM 0 HE2 HIS A 64 14.404 -21.726 -3.979 1.00 0.00 H new ATOM 857 N HIS A 65 19.809 -23.829 -6.765 1.00 0.00 N ATOM 858 CA HIS A 65 20.087 -25.063 -6.049 1.00 0.00 C ATOM 859 C HIS A 65 19.138 -26.162 -6.533 1.00 0.00 C ATOM 860 O HIS A 65 18.034 -26.308 -6.012 1.00 0.00 O ATOM 861 CB HIS A 65 20.015 -24.842 -4.537 1.00 0.00 C ATOM 862 CG HIS A 65 21.242 -25.306 -3.789 1.00 0.00 C ATOM 863 ND1 HIS A 65 22.048 -24.447 -3.064 1.00 0.00 N ATOM 864 CD2 HIS A 65 21.791 -26.549 -3.662 1.00 0.00 C ATOM 865 CE1 HIS A 65 23.035 -25.151 -2.529 1.00 0.00 C ATOM 866 NE2 HIS A 65 22.874 -26.453 -2.901 1.00 0.00 N ATOM 0 H HIS A 65 20.630 -23.373 -7.164 1.00 0.00 H new ATOM 0 HA HIS A 65 21.105 -25.390 -6.262 1.00 0.00 H new ATOM 0 HB2 HIS A 65 19.863 -23.780 -4.342 1.00 0.00 H new ATOM 0 HB3 HIS A 65 19.143 -25.366 -4.145 1.00 0.00 H new ATOM 0 HD2 HIS A 65 21.409 -27.457 -4.105 1.00 0.00 H new ATOM 0 HE1 HIS A 65 23.828 -24.762 -1.907 1.00 0.00 H new ATOM 0 HE2 HIS A 65 23.485 -27.226 -2.638 1.00 0.00 H new ATOM 874 N GLN A 66 19.604 -26.906 -7.525 1.00 0.00 N ATOM 875 CA GLN A 66 18.811 -27.987 -8.085 1.00 0.00 C ATOM 876 C GLN A 66 18.940 -29.244 -7.221 1.00 0.00 C ATOM 877 O GLN A 66 19.689 -29.256 -6.246 1.00 0.00 O ATOM 878 CB GLN A 66 19.218 -28.273 -9.532 1.00 0.00 C ATOM 879 CG GLN A 66 18.069 -28.922 -10.307 1.00 0.00 C ATOM 880 CD GLN A 66 17.874 -28.247 -11.666 1.00 0.00 C ATOM 881 OE1 GLN A 66 18.270 -27.115 -11.889 1.00 0.00 O ATOM 882 NE2 GLN A 66 17.243 -29.003 -12.560 1.00 0.00 N ATOM 0 H GLN A 66 20.520 -26.782 -7.955 1.00 0.00 H new ATOM 0 HA GLN A 66 17.765 -27.679 -8.090 1.00 0.00 H new ATOM 0 HB2 GLN A 66 19.512 -27.344 -10.021 1.00 0.00 H new ATOM 0 HB3 GLN A 66 20.088 -28.930 -9.546 1.00 0.00 H new ATOM 0 HG2 GLN A 66 18.276 -29.983 -10.450 1.00 0.00 H new ATOM 0 HG3 GLN A 66 17.149 -28.852 -9.727 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.938 -29.943 -12.308 1.00 0.00 H new ATOM 0 HE22 GLN A 66 17.065 -28.643 -13.497 1.00 0.00 H new ATOM 891 N THR A 67 18.198 -30.270 -7.611 1.00 0.00 N ATOM 892 CA THR A 67 18.220 -31.528 -6.884 1.00 0.00 C ATOM 893 C THR A 67 19.634 -32.112 -6.873 1.00 0.00 C ATOM 894 O THR A 67 20.531 -31.589 -7.531 1.00 0.00 O ATOM 895 CB THR A 67 17.183 -32.458 -7.517 1.00 0.00 C ATOM 896 OG1 THR A 67 15.958 -31.738 -7.405 1.00 0.00 O ATOM 897 CG2 THR A 67 16.948 -33.723 -6.689 1.00 0.00 C ATOM 0 H THR A 67 17.578 -30.256 -8.421 1.00 0.00 H new ATOM 0 HA THR A 67 17.953 -31.385 -5.837 1.00 0.00 H new ATOM 0 HB THR A 67 17.508 -32.736 -8.520 1.00 0.00 H new ATOM 0 HG1 THR A 67 15.231 -32.268 -7.793 1.00 0.00 H new ATOM 0 HG21 THR A 67 16.204 -34.348 -7.183 1.00 0.00 H new ATOM 0 HG22 THR A 67 17.883 -34.276 -6.597 1.00 0.00 H new ATOM 0 HG23 THR A 67 16.590 -33.447 -5.697 1.00 0.00 H new ATOM 905 N ARG A 68 19.788 -33.190 -6.117 1.00 0.00 N ATOM 906 CA ARG A 68 21.077 -33.851 -6.011 1.00 0.00 C ATOM 907 C ARG A 68 21.653 -34.118 -7.404 1.00 0.00 C ATOM 908 O ARG A 68 20.921 -34.486 -8.321 1.00 0.00 O ATOM 909 CB ARG A 68 20.957 -35.175 -5.255 1.00 0.00 C ATOM 910 CG ARG A 68 20.158 -36.199 -6.064 1.00 0.00 C ATOM 911 CD ARG A 68 19.348 -37.115 -5.144 1.00 0.00 C ATOM 912 NE ARG A 68 20.159 -38.292 -4.761 1.00 0.00 N ATOM 913 CZ ARG A 68 19.644 -39.438 -4.267 1.00 0.00 C ATOM 914 NH1 ARG A 68 18.312 -39.571 -4.092 1.00 0.00 N ATOM 915 NH2 ARG A 68 20.462 -40.426 -3.957 1.00 0.00 N ATOM 0 H ARG A 68 19.041 -33.621 -5.572 1.00 0.00 H new ATOM 0 HA ARG A 68 21.744 -33.189 -5.458 1.00 0.00 H new ATOM 0 HB2 ARG A 68 21.951 -35.569 -5.044 1.00 0.00 H new ATOM 0 HB3 ARG A 68 20.471 -35.006 -4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 68 19.487 -35.682 -6.750 1.00 0.00 H new ATOM 0 HG3 ARG A 68 20.837 -36.797 -6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 68 19.041 -36.569 -4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 68 18.438 -37.439 -5.649 1.00 0.00 H new ATOM 0 HE ARG A 68 21.171 -38.234 -4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.687 -38.802 -4.334 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.931 -40.440 -3.718 1.00 0.00 H new ATOM 0 HH21 ARG A 68 21.467 -40.317 -4.092 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.089 -41.298 -3.583 1.00 0.00 H new ATOM 928 N GLY A 69 22.958 -33.922 -7.517 1.00 0.00 N ATOM 929 CA GLY A 69 23.640 -34.137 -8.782 1.00 0.00 C ATOM 930 C GLY A 69 24.908 -33.285 -8.873 1.00 0.00 C ATOM 931 O GLY A 69 24.894 -32.208 -9.468 1.00 0.00 O ATOM 0 H GLY A 69 23.561 -33.617 -6.753 1.00 0.00 H new ATOM 0 HA2 GLY A 69 23.898 -35.191 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 69 22.971 -33.890 -9.606 1.00 0.00 H new ATOM 935 N ALA A 70 25.972 -33.798 -8.275 1.00 0.00 N ATOM 936 CA ALA A 70 27.245 -33.098 -8.282 1.00 0.00 C ATOM 937 C ALA A 70 28.380 -34.109 -8.103 1.00 0.00 C ATOM 938 O ALA A 70 29.010 -34.160 -7.049 1.00 0.00 O ATOM 939 CB ALA A 70 27.243 -32.025 -7.191 1.00 0.00 C ATOM 0 H ALA A 70 25.979 -34.691 -7.782 1.00 0.00 H new ATOM 0 HA ALA A 70 27.400 -32.594 -9.236 1.00 0.00 H new ATOM 0 HB1 ALA A 70 28.198 -31.499 -7.196 1.00 0.00 H new ATOM 0 HB2 ALA A 70 26.437 -31.315 -7.380 1.00 0.00 H new ATOM 0 HB3 ALA A 70 27.092 -32.495 -6.219 1.00 0.00 H new ATOM 945 N TYR A 71 28.605 -34.888 -9.151 1.00 0.00 N ATOM 946 CA TYR A 71 29.653 -35.894 -9.124 1.00 0.00 C ATOM 947 C TYR A 71 30.696 -35.630 -10.211 1.00 0.00 C ATOM 948 O TYR A 71 30.385 -35.678 -11.400 1.00 0.00 O ATOM 949 CB TYR A 71 28.962 -37.229 -9.410 1.00 0.00 C ATOM 950 CG TYR A 71 28.712 -38.081 -8.164 1.00 0.00 C ATOM 951 CD1 TYR A 71 29.776 -38.649 -7.492 1.00 0.00 C ATOM 952 CD2 TYR A 71 27.424 -38.281 -7.712 1.00 0.00 C ATOM 953 CE1 TYR A 71 29.540 -39.450 -6.319 1.00 0.00 C ATOM 954 CE2 TYR A 71 27.189 -39.083 -6.539 1.00 0.00 C ATOM 955 CZ TYR A 71 28.259 -39.628 -5.901 1.00 0.00 C ATOM 956 OH TYR A 71 28.036 -40.385 -4.793 1.00 0.00 O ATOM 0 H TYR A 71 28.079 -34.843 -10.024 1.00 0.00 H new ATOM 0 HA TYR A 71 30.168 -35.886 -8.163 1.00 0.00 H new ATOM 0 HB2 TYR A 71 28.009 -37.035 -9.902 1.00 0.00 H new ATOM 0 HB3 TYR A 71 29.572 -37.799 -10.111 1.00 0.00 H new ATOM 0 HD1 TYR A 71 30.784 -38.493 -7.846 1.00 0.00 H new ATOM 0 HD2 TYR A 71 26.592 -37.836 -8.238 1.00 0.00 H new ATOM 0 HE1 TYR A 71 30.363 -39.900 -5.783 1.00 0.00 H new ATOM 0 HE2 TYR A 71 26.186 -39.248 -6.174 1.00 0.00 H new ATOM 0 HH TYR A 71 27.074 -40.424 -4.612 1.00 0.00 H new ATOM 966 N SER A 72 31.913 -35.355 -9.764 1.00 0.00 N ATOM 967 CA SER A 72 33.004 -35.083 -10.684 1.00 0.00 C ATOM 968 C SER A 72 34.344 -35.382 -10.009 1.00 0.00 C ATOM 969 O SER A 72 35.118 -36.206 -10.495 1.00 0.00 O ATOM 970 CB SER A 72 32.966 -33.632 -11.169 1.00 0.00 C ATOM 971 OG SER A 72 31.956 -33.424 -12.152 1.00 0.00 O ATOM 0 H SER A 72 32.167 -35.315 -8.777 1.00 0.00 H new ATOM 0 HA SER A 72 32.889 -35.731 -11.553 1.00 0.00 H new ATOM 0 HB2 SER A 72 32.788 -32.971 -10.321 1.00 0.00 H new ATOM 0 HB3 SER A 72 33.937 -33.363 -11.585 1.00 0.00 H new ATOM 0 HG SER A 72 31.300 -34.151 -12.106 1.00 0.00 H new ATOM 977 N SER A 73 34.578 -34.697 -8.900 1.00 0.00 N ATOM 978 CA SER A 73 35.812 -34.879 -8.153 1.00 0.00 C ATOM 979 C SER A 73 35.616 -35.941 -7.070 1.00 0.00 C ATOM 980 O SER A 73 34.986 -35.680 -6.046 1.00 0.00 O ATOM 981 CB SER A 73 36.276 -33.562 -7.528 1.00 0.00 C ATOM 982 OG SER A 73 37.584 -33.667 -6.973 1.00 0.00 O ATOM 0 H SER A 73 33.934 -34.015 -8.500 1.00 0.00 H new ATOM 0 HA SER A 73 36.585 -35.214 -8.845 1.00 0.00 H new ATOM 0 HB2 SER A 73 36.265 -32.778 -8.285 1.00 0.00 H new ATOM 0 HB3 SER A 73 35.574 -33.263 -6.749 1.00 0.00 H new ATOM 0 HG SER A 73 37.845 -32.806 -6.585 1.00 0.00 H new ATOM 988 N HIS A 74 36.167 -37.117 -7.333 1.00 0.00 N ATOM 989 CA HIS A 74 36.061 -38.220 -6.393 1.00 0.00 C ATOM 990 C HIS A 74 37.292 -39.120 -6.516 1.00 0.00 C ATOM 991 O HIS A 74 37.480 -39.785 -7.534 1.00 0.00 O ATOM 992 CB HIS A 74 34.749 -38.980 -6.593 1.00 0.00 C ATOM 993 CG HIS A 74 33.838 -38.961 -5.389 1.00 0.00 C ATOM 994 ND1 HIS A 74 33.038 -40.035 -5.037 1.00 0.00 N ATOM 995 CD2 HIS A 74 33.609 -37.990 -4.459 1.00 0.00 C ATOM 996 CE1 HIS A 74 32.362 -39.712 -3.944 1.00 0.00 C ATOM 997 NE2 HIS A 74 32.717 -38.444 -3.588 1.00 0.00 N ATOM 0 H HIS A 74 36.688 -37.330 -8.184 1.00 0.00 H new ATOM 0 HA HIS A 74 36.038 -37.833 -5.374 1.00 0.00 H new ATOM 0 HB2 HIS A 74 34.219 -38.551 -7.444 1.00 0.00 H new ATOM 0 HB3 HIS A 74 34.976 -40.015 -6.848 1.00 0.00 H new ATOM 0 HD2 HIS A 74 34.075 -37.016 -4.436 1.00 0.00 H new ATOM 0 HE1 HIS A 74 31.654 -40.342 -3.426 1.00 0.00 H new ATOM 0 HE2 HIS A 74 32.356 -37.930 -2.785 1.00 0.00 H new ATOM 1005 N ASP A 75 38.099 -39.112 -5.465 1.00 0.00 N ATOM 1006 CA ASP A 75 39.307 -39.919 -5.443 1.00 0.00 C ATOM 1007 C ASP A 75 39.973 -39.795 -4.071 1.00 0.00 C ATOM 1008 O ASP A 75 39.682 -40.573 -3.164 1.00 0.00 O ATOM 1009 CB ASP A 75 40.307 -39.443 -6.499 1.00 0.00 C ATOM 1010 CG ASP A 75 40.661 -37.956 -6.430 1.00 0.00 C ATOM 1011 OD1 ASP A 75 39.932 -37.153 -5.829 1.00 0.00 O ATOM 1012 OD2 ASP A 75 41.752 -37.627 -7.035 1.00 0.00 O ATOM 0 H ASP A 75 37.940 -38.559 -4.623 1.00 0.00 H new ATOM 0 HA ASP A 75 39.027 -40.951 -5.652 1.00 0.00 H new ATOM 0 HB2 ASP A 75 41.223 -40.024 -6.398 1.00 0.00 H new ATOM 0 HB3 ASP A 75 39.900 -39.659 -7.487 1.00 0.00 H new TER 1018 ASP A 75