USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 540 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 NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 52 TYR OH : rot 30:sc= 0.00261 USER MOD Set 1.2: A 53 LYS NZ :NH3+ 123:sc= -0.14 (180deg=-0.693) USER MOD Set 2.1: A 2 SER OG : rot 180:sc=-0.00561 USER MOD Set 2.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -150:sc= -1.43 USER MOD Single : A 14 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.3!) USER MOD Single : A 19 SER OG : rot 42:sc= 0.661 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.321 K(o=-0.32,f=-2.8!) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= -0.0172 (180deg=-0.201) USER MOD Single : A 28 HIS : no HD1:sc= -4.13! C(o=-4.1!,f=-5.9!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.41) USER MOD Single : A 34 ASN : amide:sc= -0.414 K(o=-0.41,f=-3.4!) USER MOD Single : A 35 CYS SG : rot 160:sc= 0 USER MOD Single : A 37 CYS SG : rot 129:sc= 0.00911 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 154:sc= -0.134 (180deg=-0.669) USER MOD Single : A 60 SER OG : rot 27:sc= 0.324 USER MOD Single : A 63 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.38) USER MOD Single : A 64 LYS NZ :NH3+ -172:sc= 0.00444 (180deg=0.0013) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 28:sc= 0.025 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.319 19.879 17.450 1.00 0.00 N ATOM 2 CA GLY A 1 13.206 19.388 16.089 1.00 0.00 C ATOM 3 C GLY A 1 12.739 20.460 15.124 1.00 0.00 C ATOM 4 O GLY A 1 11.571 20.847 15.132 1.00 0.00 O ATOM 0 H1 GLY A 1 13.641 19.110 18.071 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.005 20.660 17.482 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.392 20.220 17.774 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.173 19.005 15.762 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.507 18.552 16.064 1.00 0.00 H new ATOM 8 N SER A 2 13.655 20.942 14.289 1.00 0.00 N ATOM 9 CA SER A 2 13.333 21.980 13.317 1.00 0.00 C ATOM 10 C SER A 2 12.178 21.544 12.420 1.00 0.00 C ATOM 11 O SER A 2 11.188 22.261 12.271 1.00 0.00 O ATOM 12 CB SER A 2 14.559 22.308 12.464 1.00 0.00 C ATOM 13 OG SER A 2 15.131 21.132 11.919 1.00 0.00 O ATOM 0 H SER A 2 14.626 20.630 14.267 1.00 0.00 H new ATOM 0 HA SER A 2 13.030 22.873 13.863 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.275 22.985 11.658 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.300 22.829 13.071 1.00 0.00 H new ATOM 0 HG SER A 2 15.912 21.369 11.377 1.00 0.00 H new ATOM 19 N SER A 3 12.312 20.363 11.825 1.00 0.00 N ATOM 20 CA SER A 3 11.282 19.832 10.940 1.00 0.00 C ATOM 21 C SER A 3 11.279 18.306 10.964 1.00 0.00 C ATOM 22 O SER A 3 12.333 17.672 10.936 1.00 0.00 O ATOM 23 CB SER A 3 11.503 20.330 9.510 1.00 0.00 C ATOM 24 OG SER A 3 12.815 20.036 9.064 1.00 0.00 O ATOM 0 H SER A 3 13.124 19.756 11.940 1.00 0.00 H new ATOM 0 HA SER A 3 10.314 20.186 11.295 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.776 19.865 8.844 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.333 21.406 9.466 1.00 0.00 H new ATOM 0 HG SER A 3 12.930 20.363 8.147 1.00 0.00 H new ATOM 30 N GLY A 4 10.085 17.724 11.015 1.00 0.00 N ATOM 31 CA GLY A 4 9.966 16.278 11.043 1.00 0.00 C ATOM 32 C GLY A 4 9.624 15.698 9.684 1.00 0.00 C ATOM 33 O GLY A 4 9.958 16.280 8.652 1.00 0.00 O ATOM 0 H GLY A 4 9.198 18.228 11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.903 15.846 11.394 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.196 15.994 11.760 1.00 0.00 H new ATOM 37 N SER A 5 8.959 14.548 9.683 1.00 0.00 N ATOM 38 CA SER A 5 8.577 13.886 8.441 1.00 0.00 C ATOM 39 C SER A 5 7.083 13.576 8.428 1.00 0.00 C ATOM 40 O SER A 5 6.669 12.480 8.049 1.00 0.00 O ATOM 41 CB SER A 5 9.379 12.597 8.258 1.00 0.00 C ATOM 42 OG SER A 5 9.238 11.744 9.380 1.00 0.00 O ATOM 0 H SER A 5 8.673 14.055 10.529 1.00 0.00 H new ATOM 0 HA SER A 5 8.797 14.562 7.615 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.042 12.080 7.360 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.432 12.838 8.111 1.00 0.00 H new ATOM 0 HG SER A 5 9.759 10.926 9.237 1.00 0.00 H new ATOM 48 N SER A 6 6.279 14.549 8.845 1.00 0.00 N ATOM 49 CA SER A 6 4.831 14.379 8.885 1.00 0.00 C ATOM 50 C SER A 6 4.204 14.744 7.543 1.00 0.00 C ATOM 51 O SER A 6 3.234 14.124 7.110 1.00 0.00 O ATOM 52 CB SER A 6 4.226 15.241 9.995 1.00 0.00 C ATOM 53 OG SER A 6 4.460 16.618 9.755 1.00 0.00 O ATOM 0 H SER A 6 6.605 15.463 9.160 1.00 0.00 H new ATOM 0 HA SER A 6 4.618 13.330 9.092 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.154 15.057 10.059 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.656 14.958 10.956 1.00 0.00 H new ATOM 0 HG SER A 6 4.062 17.148 10.477 1.00 0.00 H new ATOM 59 N GLY A 7 4.767 15.756 6.890 1.00 0.00 N ATOM 60 CA GLY A 7 4.250 16.187 5.604 1.00 0.00 C ATOM 61 C GLY A 7 4.635 15.247 4.479 1.00 0.00 C ATOM 62 O GLY A 7 3.831 14.970 3.590 1.00 0.00 O ATOM 0 H GLY A 7 5.571 16.285 7.228 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.164 16.258 5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.624 17.186 5.382 1.00 0.00 H new ATOM 66 N MET A 8 5.870 14.756 4.517 1.00 0.00 N ATOM 67 CA MET A 8 6.360 13.842 3.492 1.00 0.00 C ATOM 68 C MET A 8 5.252 12.903 3.026 1.00 0.00 C ATOM 69 O MET A 8 4.514 12.346 3.839 1.00 0.00 O ATOM 70 CB MET A 8 7.541 13.029 4.027 1.00 0.00 C ATOM 71 CG MET A 8 8.145 12.087 2.998 1.00 0.00 C ATOM 72 SD MET A 8 9.346 12.903 1.929 1.00 0.00 S ATOM 73 CE MET A 8 10.850 12.678 2.876 1.00 0.00 C ATOM 0 H MET A 8 6.549 14.976 5.246 1.00 0.00 H new ATOM 0 HA MET A 8 6.692 14.435 2.640 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.313 13.713 4.379 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.212 12.449 4.889 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.628 11.255 3.512 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.348 11.664 2.386 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.686 13.131 2.343 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.741 13.153 3.851 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.039 11.613 3.011 1.00 0.00 H new ATOM 83 N VAL A 9 5.140 12.733 1.712 1.00 0.00 N ATOM 84 CA VAL A 9 4.122 11.862 1.138 1.00 0.00 C ATOM 85 C VAL A 9 4.327 10.415 1.574 1.00 0.00 C ATOM 86 O VAL A 9 5.417 9.861 1.430 1.00 0.00 O ATOM 87 CB VAL A 9 4.128 11.928 -0.400 1.00 0.00 C ATOM 88 CG1 VAL A 9 3.072 11.000 -0.980 1.00 0.00 C ATOM 89 CG2 VAL A 9 3.910 13.358 -0.872 1.00 0.00 C ATOM 0 H VAL A 9 5.742 13.187 1.025 1.00 0.00 H new ATOM 0 HA VAL A 9 3.159 12.217 1.506 1.00 0.00 H new ATOM 0 HB VAL A 9 5.103 11.596 -0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.092 11.061 -2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.278 9.976 -0.670 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.088 11.297 -0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.917 13.387 -1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.949 13.720 -0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.707 13.994 -0.487 1.00 0.00 H new ATOM 99 N PHE A 10 3.272 9.808 2.108 1.00 0.00 N ATOM 100 CA PHE A 10 3.336 8.425 2.566 1.00 0.00 C ATOM 101 C PHE A 10 2.408 7.537 1.744 1.00 0.00 C ATOM 102 O PHE A 10 1.556 8.027 1.002 1.00 0.00 O ATOM 103 CB PHE A 10 2.964 8.339 4.048 1.00 0.00 C ATOM 104 CG PHE A 10 4.105 8.658 4.972 1.00 0.00 C ATOM 105 CD1 PHE A 10 4.994 7.669 5.363 1.00 0.00 C ATOM 106 CD2 PHE A 10 4.288 9.946 5.448 1.00 0.00 C ATOM 107 CE1 PHE A 10 6.043 7.960 6.214 1.00 0.00 C ATOM 108 CE2 PHE A 10 5.336 10.243 6.299 1.00 0.00 C ATOM 109 CZ PHE A 10 6.216 9.249 6.681 1.00 0.00 C ATOM 0 H PHE A 10 2.363 10.252 2.234 1.00 0.00 H new ATOM 0 HA PHE A 10 4.359 8.071 2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.142 9.026 4.248 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.601 7.335 4.266 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.865 6.660 4.999 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.604 10.727 5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.727 7.180 6.514 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.467 11.251 6.665 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.038 9.479 7.343 1.00 0.00 H new ATOM 119 N PHE A 11 2.578 6.226 1.881 1.00 0.00 N ATOM 120 CA PHE A 11 1.757 5.267 1.151 1.00 0.00 C ATOM 121 C PHE A 11 1.531 4.004 1.977 1.00 0.00 C ATOM 122 O PHE A 11 2.426 3.543 2.686 1.00 0.00 O ATOM 123 CB PHE A 11 2.418 4.908 -0.181 1.00 0.00 C ATOM 124 CG PHE A 11 2.580 6.080 -1.106 1.00 0.00 C ATOM 125 CD1 PHE A 11 1.508 6.543 -1.853 1.00 0.00 C ATOM 126 CD2 PHE A 11 3.802 6.720 -1.228 1.00 0.00 C ATOM 127 CE1 PHE A 11 1.654 7.621 -2.705 1.00 0.00 C ATOM 128 CE2 PHE A 11 3.955 7.799 -2.079 1.00 0.00 C ATOM 129 CZ PHE A 11 2.879 8.250 -2.817 1.00 0.00 C ATOM 0 H PHE A 11 3.277 5.803 2.491 1.00 0.00 H new ATOM 0 HA PHE A 11 0.789 5.729 0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.398 4.472 0.015 1.00 0.00 H new ATOM 0 HB3 PHE A 11 1.822 4.143 -0.678 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.548 6.056 -1.768 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.646 6.372 -0.651 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.811 7.971 -3.283 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.914 8.288 -2.166 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.995 9.094 -3.481 1.00 0.00 H new ATOM 139 N THR A 12 0.327 3.449 1.880 1.00 0.00 N ATOM 140 CA THR A 12 -0.019 2.241 2.618 1.00 0.00 C ATOM 141 C THR A 12 -0.170 1.048 1.681 1.00 0.00 C ATOM 142 O THR A 12 -1.095 0.996 0.870 1.00 0.00 O ATOM 143 CB THR A 12 -1.326 2.423 3.413 1.00 0.00 C ATOM 144 OG1 THR A 12 -1.294 3.662 4.131 1.00 0.00 O ATOM 145 CG2 THR A 12 -1.532 1.273 4.387 1.00 0.00 C ATOM 0 H THR A 12 -0.425 3.817 1.297 1.00 0.00 H new ATOM 0 HA THR A 12 0.798 2.052 3.314 1.00 0.00 H new ATOM 0 HB THR A 12 -2.156 2.433 2.707 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.827 3.580 4.950 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.461 1.424 4.937 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.585 0.334 3.836 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.698 1.236 5.088 1.00 0.00 H new ATOM 153 N CYS A 13 0.743 0.090 1.799 1.00 0.00 N ATOM 154 CA CYS A 13 0.712 -1.103 0.962 1.00 0.00 C ATOM 155 C CYS A 13 -0.545 -1.925 1.233 1.00 0.00 C ATOM 156 O CYS A 13 -1.107 -1.876 2.326 1.00 0.00 O ATOM 157 CB CYS A 13 1.957 -1.958 1.211 1.00 0.00 C ATOM 158 SG CYS A 13 1.938 -3.565 0.352 1.00 0.00 S ATOM 0 H CYS A 13 1.514 0.117 2.467 1.00 0.00 H new ATOM 0 HA CYS A 13 0.699 -0.785 -0.081 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.838 -1.399 0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.057 -2.132 2.282 1.00 0.00 H new ATOM 163 N ASN A 14 -0.980 -2.679 0.228 1.00 0.00 N ATOM 164 CA ASN A 14 -2.171 -3.511 0.358 1.00 0.00 C ATOM 165 C ASN A 14 -1.792 -4.974 0.562 1.00 0.00 C ATOM 166 O ASN A 14 -2.503 -5.722 1.234 1.00 0.00 O ATOM 167 CB ASN A 14 -3.054 -3.370 -0.884 1.00 0.00 C ATOM 168 CG ASN A 14 -4.036 -4.517 -1.028 1.00 0.00 C ATOM 169 OD1 ASN A 14 -4.456 -5.118 -0.039 1.00 0.00 O ATOM 170 ND2 ASN A 14 -4.406 -4.826 -2.266 1.00 0.00 N ATOM 0 H ASN A 14 -0.526 -2.731 -0.684 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.727 -3.173 1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -3.603 -2.430 -0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.423 -3.322 -1.772 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.064 -5.589 -2.426 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.032 -4.300 -3.056 1.00 0.00 H new ATOM 177 N ALA A 15 -0.668 -5.376 -0.021 1.00 0.00 N ATOM 178 CA ALA A 15 -0.193 -6.749 0.100 1.00 0.00 C ATOM 179 C ALA A 15 0.046 -7.121 1.559 1.00 0.00 C ATOM 180 O ALA A 15 -0.536 -8.079 2.069 1.00 0.00 O ATOM 181 CB ALA A 15 1.080 -6.940 -0.711 1.00 0.00 C ATOM 0 H ALA A 15 -0.069 -4.770 -0.582 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.965 -7.410 -0.294 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.424 -7.970 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.879 -6.724 -1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.851 -6.263 -0.343 1.00 0.00 H new ATOM 187 N CYS A 16 0.905 -6.358 2.227 1.00 0.00 N ATOM 188 CA CYS A 16 1.222 -6.608 3.627 1.00 0.00 C ATOM 189 C CYS A 16 0.533 -5.590 4.531 1.00 0.00 C ATOM 190 O CYS A 16 -0.101 -5.952 5.522 1.00 0.00 O ATOM 191 CB CYS A 16 2.736 -6.559 3.846 1.00 0.00 C ATOM 192 SG CYS A 16 3.506 -4.980 3.362 1.00 0.00 S ATOM 0 H CYS A 16 1.394 -5.561 1.820 1.00 0.00 H new ATOM 0 HA CYS A 16 0.857 -7.602 3.884 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.946 -6.746 4.899 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.201 -7.366 3.280 1.00 0.00 H new ATOM 197 N GLY A 17 0.662 -4.314 4.182 1.00 0.00 N ATOM 198 CA GLY A 17 0.047 -3.263 4.971 1.00 0.00 C ATOM 199 C GLY A 17 1.034 -2.579 5.896 1.00 0.00 C ATOM 200 O GLY A 17 0.866 -2.598 7.115 1.00 0.00 O ATOM 0 H GLY A 17 1.182 -3.989 3.367 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.394 -2.523 4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.767 -3.685 5.561 1.00 0.00 H new ATOM 204 N GLU A 18 2.067 -1.976 5.316 1.00 0.00 N ATOM 205 CA GLU A 18 3.086 -1.286 6.099 1.00 0.00 C ATOM 206 C GLU A 18 3.274 0.146 5.606 1.00 0.00 C ATOM 207 O GLU A 18 3.002 0.455 4.446 1.00 0.00 O ATOM 208 CB GLU A 18 4.415 -2.041 6.025 1.00 0.00 C ATOM 209 CG GLU A 18 4.450 -3.295 6.882 1.00 0.00 C ATOM 210 CD GLU A 18 5.572 -4.237 6.491 1.00 0.00 C ATOM 211 OE1 GLU A 18 5.988 -4.209 5.313 1.00 0.00 O ATOM 212 OE2 GLU A 18 6.036 -5.002 7.363 1.00 0.00 O ATOM 0 H GLU A 18 2.220 -1.951 4.308 1.00 0.00 H new ATOM 0 HA GLU A 18 2.751 -1.254 7.136 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.611 -2.314 4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.220 -1.375 6.337 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.566 -3.012 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.496 -3.816 6.796 1.00 0.00 H new ATOM 219 N SER A 19 3.740 1.016 6.496 1.00 0.00 N ATOM 220 CA SER A 19 3.960 2.416 6.154 1.00 0.00 C ATOM 221 C SER A 19 5.314 2.603 5.476 1.00 0.00 C ATOM 222 O SER A 19 6.342 2.735 6.141 1.00 0.00 O ATOM 223 CB SER A 19 3.880 3.288 7.408 1.00 0.00 C ATOM 224 OG SER A 19 4.812 2.860 8.387 1.00 0.00 O ATOM 0 H SER A 19 3.973 0.776 7.460 1.00 0.00 H new ATOM 0 HA SER A 19 3.179 2.721 5.458 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.076 4.328 7.145 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.871 3.248 7.819 1.00 0.00 H new ATOM 0 HG SER A 19 5.666 2.648 7.955 1.00 0.00 H new ATOM 230 N VAL A 20 5.306 2.614 4.147 1.00 0.00 N ATOM 231 CA VAL A 20 6.533 2.786 3.377 1.00 0.00 C ATOM 232 C VAL A 20 6.718 4.239 2.955 1.00 0.00 C ATOM 233 O VAL A 20 5.755 4.923 2.606 1.00 0.00 O ATOM 234 CB VAL A 20 6.536 1.894 2.121 1.00 0.00 C ATOM 235 CG1 VAL A 20 7.787 2.144 1.292 1.00 0.00 C ATOM 236 CG2 VAL A 20 6.428 0.427 2.510 1.00 0.00 C ATOM 0 H VAL A 20 4.464 2.506 3.581 1.00 0.00 H new ATOM 0 HA VAL A 20 7.358 2.491 4.026 1.00 0.00 H new ATOM 0 HB VAL A 20 5.669 2.150 1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.772 1.505 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.816 3.189 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.670 1.917 1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.432 -0.189 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.275 0.154 3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.500 0.263 3.058 1.00 0.00 H new ATOM 246 N LYS A 21 7.961 4.705 2.989 1.00 0.00 N ATOM 247 CA LYS A 21 8.275 6.078 2.609 1.00 0.00 C ATOM 248 C LYS A 21 8.513 6.185 1.106 1.00 0.00 C ATOM 249 O LYS A 21 9.095 5.289 0.493 1.00 0.00 O ATOM 250 CB LYS A 21 9.510 6.569 3.368 1.00 0.00 C ATOM 251 CG LYS A 21 9.263 6.793 4.850 1.00 0.00 C ATOM 252 CD LYS A 21 10.267 7.768 5.441 1.00 0.00 C ATOM 253 CE LYS A 21 9.710 8.463 6.674 1.00 0.00 C ATOM 254 NZ LYS A 21 9.918 7.656 7.908 1.00 0.00 N ATOM 0 H LYS A 21 8.769 4.152 3.276 1.00 0.00 H new ATOM 0 HA LYS A 21 7.423 6.705 2.870 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.313 5.842 3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.854 7.501 2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.253 7.175 4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.324 5.841 5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.181 7.236 5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.536 8.513 4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.190 9.435 6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.645 8.648 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.525 8.164 8.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.439 6.738 7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.936 7.501 8.054 1.00 0.00 H new ATOM 268 N LYS A 22 8.062 7.287 0.517 1.00 0.00 N ATOM 269 CA LYS A 22 8.228 7.514 -0.914 1.00 0.00 C ATOM 270 C LYS A 22 9.643 7.161 -1.360 1.00 0.00 C ATOM 271 O LYS A 22 9.840 6.257 -2.173 1.00 0.00 O ATOM 272 CB LYS A 22 7.922 8.973 -1.259 1.00 0.00 C ATOM 273 CG LYS A 22 7.871 9.247 -2.752 1.00 0.00 C ATOM 274 CD LYS A 22 8.067 10.723 -3.055 1.00 0.00 C ATOM 275 CE LYS A 22 8.658 10.934 -4.440 1.00 0.00 C ATOM 276 NZ LYS A 22 7.715 10.517 -5.515 1.00 0.00 N ATOM 0 H LYS A 22 7.578 8.038 1.009 1.00 0.00 H new ATOM 0 HA LYS A 22 7.527 6.868 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.966 9.250 -0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.681 9.611 -0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.643 8.666 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.912 8.917 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.110 11.240 -2.984 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.725 11.165 -2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.914 11.986 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.585 10.367 -4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.155 10.677 -6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.490 9.507 -5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.841 11.076 -5.446 1.00 0.00 H new ATOM 290 N ILE A 23 10.624 7.877 -0.822 1.00 0.00 N ATOM 291 CA ILE A 23 12.021 7.637 -1.163 1.00 0.00 C ATOM 292 C ILE A 23 12.401 6.179 -0.929 1.00 0.00 C ATOM 293 O ILE A 23 13.422 5.706 -1.428 1.00 0.00 O ATOM 294 CB ILE A 23 12.963 8.540 -0.346 1.00 0.00 C ATOM 295 CG1 ILE A 23 13.169 7.962 1.056 1.00 0.00 C ATOM 296 CG2 ILE A 23 12.406 9.953 -0.265 1.00 0.00 C ATOM 297 CD1 ILE A 23 11.925 8.002 1.915 1.00 0.00 C ATOM 0 H ILE A 23 10.477 8.628 -0.148 1.00 0.00 H new ATOM 0 HA ILE A 23 12.133 7.873 -2.221 1.00 0.00 H new ATOM 0 HB ILE A 23 13.929 8.580 -0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 23 13.507 6.929 0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 23 13.964 8.516 1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.084 10.579 0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.306 10.363 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.429 9.932 0.217 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.145 7.576 2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.598 9.035 2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.134 7.423 1.437 1.00 0.00 H new ATOM 309 N GLN A 24 11.572 5.472 -0.168 1.00 0.00 N ATOM 310 CA GLN A 24 11.821 4.067 0.132 1.00 0.00 C ATOM 311 C GLN A 24 10.723 3.183 -0.451 1.00 0.00 C ATOM 312 O GLN A 24 10.196 2.302 0.227 1.00 0.00 O ATOM 313 CB GLN A 24 11.914 3.854 1.644 1.00 0.00 C ATOM 314 CG GLN A 24 13.273 4.208 2.225 1.00 0.00 C ATOM 315 CD GLN A 24 14.315 3.138 1.965 1.00 0.00 C ATOM 316 OE1 GLN A 24 14.025 1.943 2.029 1.00 0.00 O ATOM 317 NE2 GLN A 24 15.538 3.563 1.668 1.00 0.00 N ATOM 0 H GLN A 24 10.722 5.849 0.252 1.00 0.00 H new ATOM 0 HA GLN A 24 12.770 3.787 -0.326 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.150 4.456 2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.692 2.811 1.870 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.612 5.152 1.798 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.176 4.362 3.300 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.734 4.563 1.626 1.00 0.00 H new ATOM 0 HE22 GLN A 24 16.281 2.889 1.482 1.00 0.00 H new ATOM 326 N VAL A 25 10.383 3.425 -1.714 1.00 0.00 N ATOM 327 CA VAL A 25 9.349 2.651 -2.389 1.00 0.00 C ATOM 328 C VAL A 25 9.931 1.395 -3.027 1.00 0.00 C ATOM 329 O VAL A 25 9.426 0.291 -2.822 1.00 0.00 O ATOM 330 CB VAL A 25 8.642 3.484 -3.474 1.00 0.00 C ATOM 331 CG1 VAL A 25 7.863 2.581 -4.418 1.00 0.00 C ATOM 332 CG2 VAL A 25 7.727 4.520 -2.838 1.00 0.00 C ATOM 0 H VAL A 25 10.809 4.151 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 25 8.621 2.365 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 25 9.400 4.009 -4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.370 3.188 -5.178 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.547 1.882 -4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.113 2.026 -3.854 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.235 5.100 -3.619 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.974 4.017 -2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.315 5.187 -2.207 1.00 0.00 H new ATOM 342 N GLU A 26 10.997 1.571 -3.802 1.00 0.00 N ATOM 343 CA GLU A 26 11.648 0.451 -4.471 1.00 0.00 C ATOM 344 C GLU A 26 11.982 -0.657 -3.477 1.00 0.00 C ATOM 345 O GLU A 26 11.527 -1.793 -3.618 1.00 0.00 O ATOM 346 CB GLU A 26 12.922 0.919 -5.176 1.00 0.00 C ATOM 347 CG GLU A 26 12.659 1.782 -6.399 1.00 0.00 C ATOM 348 CD GLU A 26 13.929 2.138 -7.147 1.00 0.00 C ATOM 349 OE1 GLU A 26 14.855 1.299 -7.175 1.00 0.00 O ATOM 350 OE2 GLU A 26 13.998 3.253 -7.703 1.00 0.00 O ATOM 0 H GLU A 26 11.428 2.478 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 26 10.956 0.053 -5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.533 1.481 -4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 26 13.503 0.047 -5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.981 1.256 -7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 26 12.155 2.698 -6.091 1.00 0.00 H new ATOM 357 N LYS A 27 12.780 -0.319 -2.470 1.00 0.00 N ATOM 358 CA LYS A 27 13.176 -1.283 -1.450 1.00 0.00 C ATOM 359 C LYS A 27 12.000 -2.171 -1.054 1.00 0.00 C ATOM 360 O LYS A 27 12.069 -3.395 -1.165 1.00 0.00 O ATOM 361 CB LYS A 27 13.719 -0.558 -0.217 1.00 0.00 C ATOM 362 CG LYS A 27 15.090 0.061 -0.429 1.00 0.00 C ATOM 363 CD LYS A 27 16.183 -0.993 -0.434 1.00 0.00 C ATOM 364 CE LYS A 27 16.565 -1.406 0.979 1.00 0.00 C ATOM 365 NZ LYS A 27 17.319 -0.334 1.686 1.00 0.00 N ATOM 0 H LYS A 27 13.166 0.616 -2.338 1.00 0.00 H new ATOM 0 HA LYS A 27 13.960 -1.914 -1.868 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.017 0.224 0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.772 -1.262 0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.103 0.604 -1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.288 0.788 0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.845 -1.867 -0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.061 -0.606 -0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.664 -1.648 1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.171 -2.312 0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.804 -0.738 2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.021 0.080 1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.659 0.406 2.000 1.00 0.00 H new ATOM 379 N HIS A 28 10.922 -1.545 -0.594 1.00 0.00 N ATOM 380 CA HIS A 28 9.729 -2.279 -0.183 1.00 0.00 C ATOM 381 C HIS A 28 9.250 -3.203 -1.299 1.00 0.00 C ATOM 382 O HIS A 28 9.150 -4.416 -1.114 1.00 0.00 O ATOM 383 CB HIS A 28 8.615 -1.307 0.204 1.00 0.00 C ATOM 384 CG HIS A 28 7.356 -1.986 0.649 1.00 0.00 C ATOM 385 ND1 HIS A 28 7.157 -2.433 1.938 1.00 0.00 N ATOM 386 CD2 HIS A 28 6.227 -2.291 -0.032 1.00 0.00 C ATOM 387 CE1 HIS A 28 5.961 -2.986 2.031 1.00 0.00 C ATOM 388 NE2 HIS A 28 5.376 -2.912 0.849 1.00 0.00 N ATOM 0 H HIS A 28 10.849 -0.532 -0.496 1.00 0.00 H new ATOM 0 HA HIS A 28 9.986 -2.888 0.684 1.00 0.00 H new ATOM 0 HB2 HIS A 28 8.971 -0.659 1.005 1.00 0.00 H new ATOM 0 HB3 HIS A 28 8.391 -0.666 -0.649 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.032 -2.085 -1.074 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.534 -3.424 2.921 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.443 -3.260 0.627 1.00 0.00 H new ATOM 396 N VAL A 29 8.953 -2.621 -2.456 1.00 0.00 N ATOM 397 CA VAL A 29 8.484 -3.392 -3.601 1.00 0.00 C ATOM 398 C VAL A 29 9.341 -4.635 -3.816 1.00 0.00 C ATOM 399 O VAL A 29 8.824 -5.718 -4.088 1.00 0.00 O ATOM 400 CB VAL A 29 8.494 -2.547 -4.889 1.00 0.00 C ATOM 401 CG1 VAL A 29 8.055 -3.384 -6.081 1.00 0.00 C ATOM 402 CG2 VAL A 29 7.603 -1.324 -4.730 1.00 0.00 C ATOM 0 H VAL A 29 9.029 -1.618 -2.625 1.00 0.00 H new ATOM 0 HA VAL A 29 7.460 -3.694 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 29 9.513 -2.206 -5.071 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.068 -2.770 -6.981 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.737 -4.226 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.045 -3.757 -5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.622 -0.738 -5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.581 -1.643 -4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.967 -0.714 -3.903 1.00 0.00 H new ATOM 412 N SER A 30 10.653 -4.470 -3.690 1.00 0.00 N ATOM 413 CA SER A 30 11.584 -5.578 -3.873 1.00 0.00 C ATOM 414 C SER A 30 11.132 -6.802 -3.082 1.00 0.00 C ATOM 415 O SER A 30 10.855 -7.856 -3.653 1.00 0.00 O ATOM 416 CB SER A 30 12.992 -5.167 -3.438 1.00 0.00 C ATOM 417 OG SER A 30 13.934 -6.183 -3.735 1.00 0.00 O ATOM 0 H SER A 30 11.096 -3.580 -3.462 1.00 0.00 H new ATOM 0 HA SER A 30 11.600 -5.836 -4.932 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.277 -4.244 -3.942 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.000 -4.961 -2.368 1.00 0.00 H new ATOM 0 HG SER A 30 14.826 -5.896 -3.449 1.00 0.00 H new ATOM 423 N ASN A 31 11.062 -6.654 -1.763 1.00 0.00 N ATOM 424 CA ASN A 31 10.645 -7.747 -0.892 1.00 0.00 C ATOM 425 C ASN A 31 9.176 -8.091 -1.116 1.00 0.00 C ATOM 426 O ASN A 31 8.810 -9.262 -1.224 1.00 0.00 O ATOM 427 CB ASN A 31 10.876 -7.375 0.574 1.00 0.00 C ATOM 428 CG ASN A 31 10.703 -8.560 1.505 1.00 0.00 C ATOM 429 OD1 ASN A 31 9.582 -8.993 1.775 1.00 0.00 O ATOM 430 ND2 ASN A 31 11.814 -9.089 2.002 1.00 0.00 N ATOM 0 H ASN A 31 11.289 -5.788 -1.274 1.00 0.00 H new ATOM 0 HA ASN A 31 11.246 -8.623 -1.137 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.881 -6.970 0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.180 -6.587 0.860 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.760 -9.887 2.635 1.00 0.00 H new ATOM 0 HD22 ASN A 31 12.722 -8.698 1.751 1.00 0.00 H new ATOM 437 N CYS A 32 8.337 -7.063 -1.184 1.00 0.00 N ATOM 438 CA CYS A 32 6.907 -7.254 -1.395 1.00 0.00 C ATOM 439 C CYS A 32 6.585 -7.352 -2.883 1.00 0.00 C ATOM 440 O CYS A 32 6.387 -6.338 -3.554 1.00 0.00 O ATOM 441 CB CYS A 32 6.119 -6.104 -0.766 1.00 0.00 C ATOM 442 SG CYS A 32 4.458 -6.572 -0.183 1.00 0.00 S ATOM 0 H CYS A 32 8.623 -6.088 -1.096 1.00 0.00 H new ATOM 0 HA CYS A 32 6.616 -8.189 -0.916 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.688 -5.704 0.074 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.023 -5.301 -1.497 1.00 0.00 H new ATOM 447 N ARG A 33 6.535 -8.578 -3.393 1.00 0.00 N ATOM 448 CA ARG A 33 6.238 -8.808 -4.802 1.00 0.00 C ATOM 449 C ARG A 33 4.732 -8.825 -5.045 1.00 0.00 C ATOM 450 O ARG A 33 4.251 -9.460 -5.982 1.00 0.00 O ATOM 451 CB ARG A 33 6.855 -10.129 -5.266 1.00 0.00 C ATOM 452 CG ARG A 33 8.289 -9.995 -5.751 1.00 0.00 C ATOM 453 CD ARG A 33 9.282 -10.208 -4.619 1.00 0.00 C ATOM 454 NE ARG A 33 9.613 -11.619 -4.439 1.00 0.00 N ATOM 455 CZ ARG A 33 10.569 -12.051 -3.625 1.00 0.00 C ATOM 456 NH1 ARG A 33 11.285 -11.186 -2.918 1.00 0.00 N ATOM 457 NH2 ARG A 33 10.811 -13.351 -3.515 1.00 0.00 N ATOM 0 H ARG A 33 6.696 -9.427 -2.852 1.00 0.00 H new ATOM 0 HA ARG A 33 6.672 -7.990 -5.377 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.824 -10.843 -4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.246 -10.542 -6.070 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.476 -10.721 -6.542 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.437 -9.006 -6.185 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.193 -9.646 -4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.866 -9.812 -3.693 1.00 0.00 H new ATOM 0 HE ARG A 33 9.081 -12.310 -4.967 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.102 -10.186 -2.999 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.019 -11.521 -2.294 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.262 -14.019 -4.056 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.546 -13.682 -2.889 1.00 0.00 H new ATOM 471 N ASN A 34 3.993 -8.122 -4.192 1.00 0.00 N ATOM 472 CA ASN A 34 2.541 -8.057 -4.313 1.00 0.00 C ATOM 473 C ASN A 34 2.057 -6.610 -4.286 1.00 0.00 C ATOM 474 O ASN A 34 0.910 -6.335 -3.933 1.00 0.00 O ATOM 475 CB ASN A 34 1.878 -8.849 -3.185 1.00 0.00 C ATOM 476 CG ASN A 34 2.146 -10.338 -3.290 1.00 0.00 C ATOM 477 OD1 ASN A 34 3.295 -10.767 -3.395 1.00 0.00 O ATOM 478 ND2 ASN A 34 1.083 -11.134 -3.261 1.00 0.00 N ATOM 0 H ASN A 34 4.376 -7.590 -3.410 1.00 0.00 H new ATOM 0 HA ASN A 34 2.261 -8.498 -5.270 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.243 -8.484 -2.225 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.802 -8.674 -3.205 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.201 -12.145 -3.327 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.149 -10.734 -3.173 1.00 0.00 H new ATOM 485 N CYS A 35 2.940 -5.690 -4.660 1.00 0.00 N ATOM 486 CA CYS A 35 2.603 -4.271 -4.678 1.00 0.00 C ATOM 487 C CYS A 35 1.936 -3.887 -5.995 1.00 0.00 C ATOM 488 O CYS A 35 2.599 -3.764 -7.024 1.00 0.00 O ATOM 489 CB CYS A 35 3.859 -3.425 -4.463 1.00 0.00 C ATOM 490 SG CYS A 35 3.530 -1.664 -4.215 1.00 0.00 S ATOM 0 H CYS A 35 3.893 -5.901 -4.954 1.00 0.00 H new ATOM 0 HA CYS A 35 1.901 -4.079 -3.867 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.398 -3.808 -3.597 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.515 -3.543 -5.325 1.00 0.00 H new ATOM 0 HG CYS A 35 4.552 -1.109 -3.634 1.00 0.00 H new ATOM 496 N GLU A 36 0.620 -3.701 -5.953 1.00 0.00 N ATOM 497 CA GLU A 36 -0.136 -3.334 -7.144 1.00 0.00 C ATOM 498 C GLU A 36 -0.823 -1.984 -6.958 1.00 0.00 C ATOM 499 O GLU A 36 -0.856 -1.161 -7.874 1.00 0.00 O ATOM 500 CB GLU A 36 -1.178 -4.408 -7.465 1.00 0.00 C ATOM 501 CG GLU A 36 -1.483 -4.537 -8.948 1.00 0.00 C ATOM 502 CD GLU A 36 -2.280 -5.785 -9.274 1.00 0.00 C ATOM 503 OE1 GLU A 36 -1.788 -6.896 -8.986 1.00 0.00 O ATOM 504 OE2 GLU A 36 -3.397 -5.650 -9.816 1.00 0.00 O ATOM 0 H GLU A 36 0.057 -3.798 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 36 0.563 -3.255 -7.977 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -0.824 -5.369 -7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.100 -4.178 -6.932 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.038 -3.659 -9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.548 -4.551 -9.507 1.00 0.00 H new ATOM 511 N CYS A 37 -1.369 -1.764 -5.768 1.00 0.00 N ATOM 512 CA CYS A 37 -2.056 -0.514 -5.461 1.00 0.00 C ATOM 513 C CYS A 37 -1.605 0.037 -4.112 1.00 0.00 C ATOM 514 O CYS A 37 -1.472 -0.706 -3.139 1.00 0.00 O ATOM 515 CB CYS A 37 -3.570 -0.728 -5.458 1.00 0.00 C ATOM 516 SG CYS A 37 -4.532 0.801 -5.537 1.00 0.00 S ATOM 0 H CYS A 37 -1.350 -2.434 -5.000 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.801 0.212 -6.233 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.839 -1.358 -6.306 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.847 -1.273 -4.556 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.407 0.714 -6.495 1.00 0.00 H new ATOM 522 N LEU A 38 -1.371 1.344 -4.061 1.00 0.00 N ATOM 523 CA LEU A 38 -0.933 1.995 -2.832 1.00 0.00 C ATOM 524 C LEU A 38 -1.915 3.085 -2.413 1.00 0.00 C ATOM 525 O LEU A 38 -2.530 3.737 -3.257 1.00 0.00 O ATOM 526 CB LEU A 38 0.462 2.594 -3.017 1.00 0.00 C ATOM 527 CG LEU A 38 1.627 1.604 -2.984 1.00 0.00 C ATOM 528 CD1 LEU A 38 2.786 2.115 -3.827 1.00 0.00 C ATOM 529 CD2 LEU A 38 2.076 1.357 -1.551 1.00 0.00 C ATOM 0 H LEU A 38 -1.477 1.973 -4.857 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.897 1.242 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.486 3.121 -3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.622 3.339 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 38 1.287 0.658 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.606 1.398 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.458 2.240 -4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.126 3.074 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.906 0.650 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.398 2.297 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.246 0.946 -0.975 1.00 0.00 H new ATOM 541 N SER A 39 -2.056 3.278 -1.106 1.00 0.00 N ATOM 542 CA SER A 39 -2.964 4.288 -0.575 1.00 0.00 C ATOM 543 C SER A 39 -2.188 5.424 0.084 1.00 0.00 C ATOM 544 O SER A 39 -1.604 5.253 1.155 1.00 0.00 O ATOM 545 CB SER A 39 -3.926 3.658 0.434 1.00 0.00 C ATOM 546 OG SER A 39 -4.691 4.651 1.097 1.00 0.00 O ATOM 0 H SER A 39 -1.553 2.748 -0.395 1.00 0.00 H new ATOM 0 HA SER A 39 -3.538 4.699 -1.406 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.592 2.963 -0.078 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.363 3.079 1.166 1.00 0.00 H new ATOM 0 HG SER A 39 -5.299 4.223 1.735 1.00 0.00 H new ATOM 552 N CYS A 40 -2.187 6.584 -0.563 1.00 0.00 N ATOM 553 CA CYS A 40 -1.483 7.750 -0.041 1.00 0.00 C ATOM 554 C CYS A 40 -2.248 8.371 1.123 1.00 0.00 C ATOM 555 O CYS A 40 -2.992 9.337 0.946 1.00 0.00 O ATOM 556 CB CYS A 40 -1.284 8.788 -1.147 1.00 0.00 C ATOM 557 SG CYS A 40 -0.181 10.163 -0.687 1.00 0.00 S ATOM 0 H CYS A 40 -2.666 6.742 -1.450 1.00 0.00 H new ATOM 0 HA CYS A 40 -0.508 7.423 0.321 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.879 8.291 -2.028 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -2.256 9.194 -1.428 1.00 0.00 H new ATOM 562 N ILE A 41 -2.061 7.811 2.313 1.00 0.00 N ATOM 563 CA ILE A 41 -2.732 8.311 3.507 1.00 0.00 C ATOM 564 C ILE A 41 -2.741 9.836 3.535 1.00 0.00 C ATOM 565 O ILE A 41 -3.738 10.454 3.905 1.00 0.00 O ATOM 566 CB ILE A 41 -2.061 7.789 4.791 1.00 0.00 C ATOM 567 CG1 ILE A 41 -0.575 8.152 4.799 1.00 0.00 C ATOM 568 CG2 ILE A 41 -2.245 6.283 4.910 1.00 0.00 C ATOM 569 CD1 ILE A 41 0.137 7.756 6.074 1.00 0.00 C ATOM 0 H ILE A 41 -1.450 7.011 2.476 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.758 7.945 3.469 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.536 8.262 5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.086 7.667 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.471 9.227 4.653 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.765 5.929 5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.309 6.048 4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.793 5.792 4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.186 8.044 6.009 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.326 8.261 6.921 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.065 6.677 6.211 1.00 0.00 H new ATOM 581 N ASP A 42 -1.623 10.435 3.139 1.00 0.00 N ATOM 582 CA ASP A 42 -1.502 11.888 3.116 1.00 0.00 C ATOM 583 C ASP A 42 -2.760 12.529 2.540 1.00 0.00 C ATOM 584 O ASP A 42 -3.325 13.452 3.128 1.00 0.00 O ATOM 585 CB ASP A 42 -0.280 12.306 2.296 1.00 0.00 C ATOM 586 CG ASP A 42 1.012 12.182 3.079 1.00 0.00 C ATOM 587 OD1 ASP A 42 1.210 11.139 3.737 1.00 0.00 O ATOM 588 OD2 ASP A 42 1.827 13.127 3.032 1.00 0.00 O ATOM 0 H ASP A 42 -0.788 9.937 2.830 1.00 0.00 H new ATOM 0 HA ASP A 42 -1.377 12.234 4.142 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.219 11.689 1.400 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.403 13.337 1.965 1.00 0.00 H new ATOM 593 N CYS A 43 -3.194 12.036 1.385 1.00 0.00 N ATOM 594 CA CYS A 43 -4.384 12.560 0.727 1.00 0.00 C ATOM 595 C CYS A 43 -5.473 11.495 0.643 1.00 0.00 C ATOM 596 O CYS A 43 -6.622 11.735 1.014 1.00 0.00 O ATOM 597 CB CYS A 43 -4.038 13.063 -0.676 1.00 0.00 C ATOM 598 SG CYS A 43 -3.187 11.834 -1.717 1.00 0.00 S ATOM 0 H CYS A 43 -2.738 11.273 0.885 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.760 13.393 1.322 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.956 13.374 -1.176 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.408 13.948 -0.588 1.00 0.00 H new ATOM 603 N GLY A 44 -5.104 10.316 0.151 1.00 0.00 N ATOM 604 CA GLY A 44 -6.060 9.231 0.027 1.00 0.00 C ATOM 605 C GLY A 44 -6.458 8.971 -1.412 1.00 0.00 C ATOM 606 O GLY A 44 -7.542 9.364 -1.845 1.00 0.00 O ATOM 0 H GLY A 44 -4.160 10.093 -0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.632 8.323 0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.950 9.467 0.610 1.00 0.00 H new ATOM 610 N LYS A 45 -5.579 8.309 -2.157 1.00 0.00 N ATOM 611 CA LYS A 45 -5.843 7.997 -3.557 1.00 0.00 C ATOM 612 C LYS A 45 -5.243 6.647 -3.936 1.00 0.00 C ATOM 613 O LYS A 45 -4.087 6.361 -3.622 1.00 0.00 O ATOM 614 CB LYS A 45 -5.274 9.093 -4.461 1.00 0.00 C ATOM 615 CG LYS A 45 -5.932 9.155 -5.829 1.00 0.00 C ATOM 616 CD LYS A 45 -5.515 10.401 -6.592 1.00 0.00 C ATOM 617 CE LYS A 45 -6.131 10.436 -7.982 1.00 0.00 C ATOM 618 NZ LYS A 45 -5.529 11.502 -8.829 1.00 0.00 N ATOM 0 H LYS A 45 -4.677 7.978 -1.814 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.923 7.946 -3.695 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.391 10.057 -3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.204 8.928 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.663 8.268 -6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.016 9.144 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.819 11.288 -6.036 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.429 10.432 -6.674 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.994 9.468 -8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.205 10.601 -7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.976 11.493 -9.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.682 12.428 -8.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.508 11.330 -8.930 1.00 0.00 H new ATOM 632 N ASP A 46 -6.034 5.822 -4.613 1.00 0.00 N ATOM 633 CA ASP A 46 -5.579 4.503 -5.037 1.00 0.00 C ATOM 634 C ASP A 46 -4.730 4.602 -6.301 1.00 0.00 C ATOM 635 O ASP A 46 -5.254 4.779 -7.401 1.00 0.00 O ATOM 636 CB ASP A 46 -6.775 3.582 -5.282 1.00 0.00 C ATOM 637 CG ASP A 46 -7.830 3.704 -4.200 1.00 0.00 C ATOM 638 OD1 ASP A 46 -7.487 4.143 -3.083 1.00 0.00 O ATOM 639 OD2 ASP A 46 -9.000 3.362 -4.472 1.00 0.00 O ATOM 0 H ASP A 46 -6.993 6.043 -4.880 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.965 4.084 -4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.220 3.819 -6.248 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.430 2.549 -5.334 1.00 0.00 H new ATOM 644 N PHE A 47 -3.416 4.488 -6.136 1.00 0.00 N ATOM 645 CA PHE A 47 -2.495 4.566 -7.263 1.00 0.00 C ATOM 646 C PHE A 47 -2.105 3.171 -7.745 1.00 0.00 C ATOM 647 O PHE A 47 -1.310 2.482 -7.107 1.00 0.00 O ATOM 648 CB PHE A 47 -1.241 5.350 -6.871 1.00 0.00 C ATOM 649 CG PHE A 47 -1.519 6.779 -6.501 1.00 0.00 C ATOM 650 CD1 PHE A 47 -1.732 7.734 -7.482 1.00 0.00 C ATOM 651 CD2 PHE A 47 -1.568 7.168 -5.172 1.00 0.00 C ATOM 652 CE1 PHE A 47 -1.989 9.050 -7.145 1.00 0.00 C ATOM 653 CE2 PHE A 47 -1.825 8.482 -4.829 1.00 0.00 C ATOM 654 CZ PHE A 47 -2.034 9.424 -5.816 1.00 0.00 C ATOM 0 H PHE A 47 -2.966 4.341 -5.233 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.001 5.085 -8.077 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.759 4.852 -6.029 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.535 5.329 -7.701 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.697 7.447 -8.523 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.403 6.436 -4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.154 9.784 -7.919 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.862 8.772 -3.789 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.232 10.452 -5.550 1.00 0.00 H new ATOM 664 N TRP A 48 -2.673 2.763 -8.875 1.00 0.00 N ATOM 665 CA TRP A 48 -2.386 1.451 -9.443 1.00 0.00 C ATOM 666 C TRP A 48 -1.166 1.507 -10.356 1.00 0.00 C ATOM 667 O TRP A 48 -0.713 2.586 -10.736 1.00 0.00 O ATOM 668 CB TRP A 48 -3.597 0.933 -10.220 1.00 0.00 C ATOM 669 CG TRP A 48 -4.735 0.517 -9.339 1.00 0.00 C ATOM 670 CD1 TRP A 48 -5.828 1.264 -9.003 1.00 0.00 C ATOM 671 CD2 TRP A 48 -4.891 -0.745 -8.680 1.00 0.00 C ATOM 672 NE1 TRP A 48 -6.654 0.543 -8.174 1.00 0.00 N ATOM 673 CE2 TRP A 48 -6.102 -0.693 -7.962 1.00 0.00 C ATOM 674 CE3 TRP A 48 -4.128 -1.914 -8.628 1.00 0.00 C ATOM 675 CZ2 TRP A 48 -6.563 -1.764 -7.202 1.00 0.00 C ATOM 676 CZ3 TRP A 48 -4.587 -2.976 -7.873 1.00 0.00 C ATOM 677 CH2 TRP A 48 -5.795 -2.896 -7.169 1.00 0.00 C ATOM 0 H TRP A 48 -3.334 3.321 -9.415 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.170 0.767 -8.622 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -3.941 1.710 -10.903 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.291 0.084 -10.831 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -6.016 2.273 -9.339 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.535 0.874 -7.781 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.196 -1.986 -9.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.494 -1.704 -6.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.004 -3.884 -7.825 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -6.127 -3.744 -6.589 1.00 0.00 H new ATOM 688 N GLY A 49 -0.639 0.338 -10.705 1.00 0.00 N ATOM 689 CA GLY A 49 0.524 0.278 -11.572 1.00 0.00 C ATOM 690 C GLY A 49 1.568 1.317 -11.214 1.00 0.00 C ATOM 691 O GLY A 49 1.913 1.483 -10.043 1.00 0.00 O ATOM 0 H GLY A 49 -0.996 -0.569 -10.403 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.968 -0.715 -11.510 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.211 0.423 -12.606 1.00 0.00 H new ATOM 695 N ASP A 50 2.075 2.017 -12.223 1.00 0.00 N ATOM 696 CA ASP A 50 3.087 3.044 -12.009 1.00 0.00 C ATOM 697 C ASP A 50 2.440 4.415 -11.835 1.00 0.00 C ATOM 698 O ASP A 50 2.910 5.409 -12.391 1.00 0.00 O ATOM 699 CB ASP A 50 4.069 3.075 -13.181 1.00 0.00 C ATOM 700 CG ASP A 50 4.534 1.689 -13.582 1.00 0.00 C ATOM 701 OD1 ASP A 50 3.685 0.878 -14.009 1.00 0.00 O ATOM 702 OD2 ASP A 50 5.748 1.416 -13.472 1.00 0.00 O ATOM 0 H ASP A 50 1.801 1.892 -13.198 1.00 0.00 H new ATOM 0 HA ASP A 50 3.631 2.799 -11.096 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.595 3.558 -14.036 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.934 3.681 -12.911 1.00 0.00 H new ATOM 707 N ASP A 51 1.361 4.461 -11.061 1.00 0.00 N ATOM 708 CA ASP A 51 0.650 5.710 -10.814 1.00 0.00 C ATOM 709 C ASP A 51 1.268 6.464 -9.641 1.00 0.00 C ATOM 710 O ASP A 51 1.416 7.686 -9.684 1.00 0.00 O ATOM 711 CB ASP A 51 -0.828 5.433 -10.537 1.00 0.00 C ATOM 712 CG ASP A 51 -1.578 4.995 -11.779 1.00 0.00 C ATOM 713 OD1 ASP A 51 -1.045 4.148 -12.527 1.00 0.00 O ATOM 714 OD2 ASP A 51 -2.699 5.499 -12.004 1.00 0.00 O ATOM 0 H ASP A 51 0.960 3.648 -10.594 1.00 0.00 H new ATOM 0 HA ASP A 51 0.734 6.331 -11.706 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.913 4.660 -9.773 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.294 6.332 -10.133 1.00 0.00 H new ATOM 719 N TYR A 52 1.627 5.729 -8.595 1.00 0.00 N ATOM 720 CA TYR A 52 2.226 6.328 -7.408 1.00 0.00 C ATOM 721 C TYR A 52 3.489 7.104 -7.768 1.00 0.00 C ATOM 722 O TYR A 52 3.704 8.219 -7.293 1.00 0.00 O ATOM 723 CB TYR A 52 2.554 5.248 -6.376 1.00 0.00 C ATOM 724 CG TYR A 52 3.671 4.322 -6.802 1.00 0.00 C ATOM 725 CD1 TYR A 52 3.425 3.252 -7.653 1.00 0.00 C ATOM 726 CD2 TYR A 52 4.971 4.518 -6.353 1.00 0.00 C ATOM 727 CE1 TYR A 52 4.442 2.403 -8.044 1.00 0.00 C ATOM 728 CE2 TYR A 52 5.995 3.675 -6.741 1.00 0.00 C ATOM 729 CZ TYR A 52 5.725 2.619 -7.586 1.00 0.00 C ATOM 730 OH TYR A 52 6.742 1.776 -7.973 1.00 0.00 O ATOM 0 H TYR A 52 1.514 4.717 -8.545 1.00 0.00 H new ATOM 0 HA TYR A 52 1.504 7.023 -6.979 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.829 5.727 -5.436 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.658 4.658 -6.183 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.422 3.081 -8.015 1.00 0.00 H new ATOM 0 HD2 TYR A 52 5.185 5.343 -5.690 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.234 1.575 -8.705 1.00 0.00 H new ATOM 0 HE2 TYR A 52 7.001 3.842 -6.385 1.00 0.00 H new ATOM 0 HH TYR A 52 6.549 1.419 -8.865 1.00 0.00 H new ATOM 740 N LYS A 53 4.322 6.505 -8.613 1.00 0.00 N ATOM 741 CA LYS A 53 5.564 7.138 -9.040 1.00 0.00 C ATOM 742 C LYS A 53 5.310 8.561 -9.527 1.00 0.00 C ATOM 743 O LYS A 53 6.058 9.483 -9.198 1.00 0.00 O ATOM 744 CB LYS A 53 6.223 6.318 -10.152 1.00 0.00 C ATOM 745 CG LYS A 53 6.584 4.904 -9.731 1.00 0.00 C ATOM 746 CD LYS A 53 7.738 4.355 -10.553 1.00 0.00 C ATOM 747 CE LYS A 53 9.080 4.670 -9.909 1.00 0.00 C ATOM 748 NZ LYS A 53 9.219 4.025 -8.574 1.00 0.00 N ATOM 0 H LYS A 53 4.159 5.582 -9.015 1.00 0.00 H new ATOM 0 HA LYS A 53 6.234 7.180 -8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.549 6.273 -11.007 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.125 6.831 -10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.852 4.895 -8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.715 4.256 -9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.629 3.276 -10.660 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.706 4.780 -11.556 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.885 4.331 -10.562 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.188 5.750 -9.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.066 3.421 -8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.310 4.758 -7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.378 3.445 -8.380 1.00 0.00 H new ATOM 762 N SER A 54 4.251 8.734 -10.310 1.00 0.00 N ATOM 763 CA SER A 54 3.900 10.045 -10.844 1.00 0.00 C ATOM 764 C SER A 54 3.075 10.839 -9.835 1.00 0.00 C ATOM 765 O SER A 54 2.073 11.462 -10.188 1.00 0.00 O ATOM 766 CB SER A 54 3.120 9.895 -12.151 1.00 0.00 C ATOM 767 OG SER A 54 3.917 9.289 -13.154 1.00 0.00 O ATOM 0 H SER A 54 3.620 7.983 -10.589 1.00 0.00 H new ATOM 0 HA SER A 54 4.824 10.589 -11.041 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.228 9.293 -11.979 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.783 10.874 -12.492 1.00 0.00 H new ATOM 0 HG SER A 54 3.395 9.203 -13.979 1.00 0.00 H new ATOM 773 N HIS A 55 3.505 10.812 -8.577 1.00 0.00 N ATOM 774 CA HIS A 55 2.808 11.530 -7.516 1.00 0.00 C ATOM 775 C HIS A 55 3.799 12.126 -6.521 1.00 0.00 C ATOM 776 O HIS A 55 4.398 11.409 -5.719 1.00 0.00 O ATOM 777 CB HIS A 55 1.840 10.595 -6.790 1.00 0.00 C ATOM 778 CG HIS A 55 1.010 11.282 -5.749 1.00 0.00 C ATOM 779 ND1 HIS A 55 -0.091 12.054 -6.054 1.00 0.00 N ATOM 780 CD2 HIS A 55 1.125 11.309 -4.401 1.00 0.00 C ATOM 781 CE1 HIS A 55 -0.616 12.528 -4.938 1.00 0.00 C ATOM 782 NE2 HIS A 55 0.103 12.090 -3.921 1.00 0.00 N ATOM 0 H HIS A 55 4.332 10.301 -8.268 1.00 0.00 H new ATOM 0 HA HIS A 55 2.244 12.344 -7.972 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.179 10.131 -7.522 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.408 9.793 -6.319 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.445 12.231 -6.994 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.880 10.809 -3.812 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.485 13.165 -4.869 1.00 0.00 H new ATOM 790 N VAL A 56 3.969 13.443 -6.580 1.00 0.00 N ATOM 791 CA VAL A 56 4.888 14.137 -5.685 1.00 0.00 C ATOM 792 C VAL A 56 4.144 15.120 -4.788 1.00 0.00 C ATOM 793 O VAL A 56 4.455 15.256 -3.605 1.00 0.00 O ATOM 794 CB VAL A 56 5.973 14.896 -6.472 1.00 0.00 C ATOM 795 CG1 VAL A 56 6.862 13.923 -7.230 1.00 0.00 C ATOM 796 CG2 VAL A 56 5.337 15.900 -7.421 1.00 0.00 C ATOM 0 H VAL A 56 3.482 14.051 -7.238 1.00 0.00 H new ATOM 0 HA VAL A 56 5.364 13.375 -5.068 1.00 0.00 H new ATOM 0 HB VAL A 56 6.596 15.443 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.622 14.478 -7.780 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.345 13.247 -6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.257 13.346 -7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.118 16.428 -7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.690 15.376 -8.125 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.747 16.617 -6.850 1.00 0.00 H new ATOM 806 N LYS A 57 3.159 15.804 -5.360 1.00 0.00 N ATOM 807 CA LYS A 57 2.368 16.775 -4.613 1.00 0.00 C ATOM 808 C LYS A 57 0.932 16.290 -4.440 1.00 0.00 C ATOM 809 O LYS A 57 0.312 15.805 -5.387 1.00 0.00 O ATOM 810 CB LYS A 57 2.377 18.129 -5.326 1.00 0.00 C ATOM 811 CG LYS A 57 1.698 18.105 -6.684 1.00 0.00 C ATOM 812 CD LYS A 57 1.461 19.510 -7.214 1.00 0.00 C ATOM 813 CE LYS A 57 2.682 20.042 -7.948 1.00 0.00 C ATOM 814 NZ LYS A 57 2.993 19.238 -9.162 1.00 0.00 N ATOM 0 H LYS A 57 2.889 15.704 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 57 2.817 16.888 -3.626 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.882 18.866 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.409 18.458 -5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.314 17.548 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.746 17.579 -6.607 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.604 19.506 -7.887 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.214 20.175 -6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.510 21.080 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.541 20.034 -7.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.501 19.830 -9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.587 18.426 -8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.108 18.895 -9.588 1.00 0.00 H new ATOM 828 N CYS A 58 0.409 16.424 -3.226 1.00 0.00 N ATOM 829 CA CYS A 58 -0.954 16.000 -2.930 1.00 0.00 C ATOM 830 C CYS A 58 -1.948 17.123 -3.215 1.00 0.00 C ATOM 831 O CYS A 58 -2.941 16.924 -3.914 1.00 0.00 O ATOM 832 CB CYS A 58 -1.068 15.563 -1.468 1.00 0.00 C ATOM 833 SG CYS A 58 -0.019 14.138 -1.034 1.00 0.00 S ATOM 0 H CYS A 58 0.909 16.823 -2.431 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.193 15.155 -3.575 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.803 16.404 -0.827 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.107 15.314 -1.254 1.00 0.00 H new ATOM 838 N ILE A 59 -1.671 18.303 -2.670 1.00 0.00 N ATOM 839 CA ILE A 59 -2.538 19.457 -2.867 1.00 0.00 C ATOM 840 C ILE A 59 -2.703 19.775 -4.349 1.00 0.00 C ATOM 841 O ILE A 59 -1.838 20.404 -4.960 1.00 0.00 O ATOM 842 CB ILE A 59 -1.992 20.703 -2.144 1.00 0.00 C ATOM 843 CG1 ILE A 59 -1.860 20.432 -0.644 1.00 0.00 C ATOM 844 CG2 ILE A 59 -2.896 21.900 -2.394 1.00 0.00 C ATOM 845 CD1 ILE A 59 -1.051 21.478 0.090 1.00 0.00 C ATOM 0 H ILE A 59 -0.853 18.484 -2.089 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.508 19.197 -2.443 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.003 20.931 -2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.856 20.379 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.395 19.457 -0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.496 22.772 -1.876 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.943 22.103 -3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.897 21.684 -2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.999 21.221 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.043 21.515 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.527 22.452 -0.024 1.00 0.00 H new ATOM 857 N SER A 60 -3.819 19.337 -4.923 1.00 0.00 N ATOM 858 CA SER A 60 -4.097 19.573 -6.335 1.00 0.00 C ATOM 859 C SER A 60 -5.517 20.096 -6.529 1.00 0.00 C ATOM 860 O SER A 60 -6.488 19.427 -6.178 1.00 0.00 O ATOM 861 CB SER A 60 -3.900 18.285 -7.137 1.00 0.00 C ATOM 862 OG SER A 60 -4.689 17.232 -6.611 1.00 0.00 O ATOM 0 H SER A 60 -4.546 18.817 -4.432 1.00 0.00 H new ATOM 0 HA SER A 60 -3.399 20.328 -6.697 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.167 18.458 -8.180 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.848 17.999 -7.120 1.00 0.00 H new ATOM 0 HG SER A 60 -5.476 17.606 -6.162 1.00 0.00 H new ATOM 868 N GLU A 61 -5.627 21.295 -7.092 1.00 0.00 N ATOM 869 CA GLU A 61 -6.929 21.908 -7.333 1.00 0.00 C ATOM 870 C GLU A 61 -7.592 21.308 -8.570 1.00 0.00 C ATOM 871 O GLU A 61 -7.502 21.861 -9.665 1.00 0.00 O ATOM 872 CB GLU A 61 -6.781 23.421 -7.503 1.00 0.00 C ATOM 873 CG GLU A 61 -8.097 24.175 -7.421 1.00 0.00 C ATOM 874 CD GLU A 61 -9.049 23.810 -8.544 1.00 0.00 C ATOM 875 OE1 GLU A 61 -8.838 24.287 -9.678 1.00 0.00 O ATOM 876 OE2 GLU A 61 -10.005 23.048 -8.288 1.00 0.00 O ATOM 0 H GLU A 61 -4.832 21.861 -7.389 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.563 21.707 -6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.107 23.800 -6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.314 23.626 -8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.573 23.965 -6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.900 25.247 -7.450 1.00 0.00 H new ATOM 883 N GLY A 62 -8.258 20.172 -8.385 1.00 0.00 N ATOM 884 CA GLY A 62 -8.926 19.516 -9.494 1.00 0.00 C ATOM 885 C GLY A 62 -10.329 19.065 -9.140 1.00 0.00 C ATOM 886 O GLY A 62 -10.621 18.780 -7.979 1.00 0.00 O ATOM 0 H GLY A 62 -8.347 19.695 -7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.970 20.199 -10.343 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.339 18.653 -9.809 1.00 0.00 H new ATOM 890 N GLN A 63 -11.199 19.003 -10.143 1.00 0.00 N ATOM 891 CA GLN A 63 -12.580 18.586 -9.930 1.00 0.00 C ATOM 892 C GLN A 63 -13.084 17.752 -11.104 1.00 0.00 C ATOM 893 O GLN A 63 -13.020 18.180 -12.256 1.00 0.00 O ATOM 894 CB GLN A 63 -13.479 19.808 -9.734 1.00 0.00 C ATOM 895 CG GLN A 63 -14.864 19.466 -9.206 1.00 0.00 C ATOM 896 CD GLN A 63 -14.827 18.877 -7.810 1.00 0.00 C ATOM 897 OE1 GLN A 63 -14.094 19.352 -6.942 1.00 0.00 O ATOM 898 NE2 GLN A 63 -15.621 17.836 -7.585 1.00 0.00 N ATOM 0 H GLN A 63 -10.972 19.236 -11.110 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.613 17.971 -9.031 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -12.995 20.497 -9.042 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -13.581 20.330 -10.685 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.479 20.366 -9.200 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.342 18.758 -9.883 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.212 17.475 -8.333 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -15.639 17.398 -6.664 1.00 0.00 H new ATOM 907 N LYS A 64 -13.585 16.559 -10.803 1.00 0.00 N ATOM 908 CA LYS A 64 -14.101 15.664 -11.833 1.00 0.00 C ATOM 909 C LYS A 64 -15.484 15.143 -11.457 1.00 0.00 C ATOM 910 O LYS A 64 -15.730 14.779 -10.306 1.00 0.00 O ATOM 911 CB LYS A 64 -13.142 14.490 -12.044 1.00 0.00 C ATOM 912 CG LYS A 64 -13.253 13.855 -13.419 1.00 0.00 C ATOM 913 CD LYS A 64 -14.338 12.792 -13.457 1.00 0.00 C ATOM 914 CE LYS A 64 -13.856 11.481 -12.854 1.00 0.00 C ATOM 915 NZ LYS A 64 -14.772 10.352 -13.178 1.00 0.00 N ATOM 0 H LYS A 64 -13.645 16.189 -9.854 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.185 16.228 -12.762 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.119 14.836 -11.894 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.337 13.732 -11.286 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.470 14.625 -14.160 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.297 13.410 -13.693 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.213 13.144 -12.911 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.650 12.626 -14.488 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.856 11.256 -13.226 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.777 11.586 -11.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.487 9.508 -12.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.746 10.611 -12.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.724 10.147 -14.196 1.00 0.00 H new ATOM 929 N TYR A 65 -16.384 15.109 -12.433 1.00 0.00 N ATOM 930 CA TYR A 65 -17.743 14.633 -12.205 1.00 0.00 C ATOM 931 C TYR A 65 -17.735 13.253 -11.554 1.00 0.00 C ATOM 932 O TYR A 65 -17.185 12.299 -12.103 1.00 0.00 O ATOM 933 CB TYR A 65 -18.517 14.584 -13.523 1.00 0.00 C ATOM 934 CG TYR A 65 -19.214 15.881 -13.865 1.00 0.00 C ATOM 935 CD1 TYR A 65 -18.507 16.955 -14.391 1.00 0.00 C ATOM 936 CD2 TYR A 65 -20.581 16.032 -13.663 1.00 0.00 C ATOM 937 CE1 TYR A 65 -19.140 18.143 -14.704 1.00 0.00 C ATOM 938 CE2 TYR A 65 -21.222 17.215 -13.975 1.00 0.00 C ATOM 939 CZ TYR A 65 -20.498 18.268 -14.494 1.00 0.00 C ATOM 940 OH TYR A 65 -21.132 19.448 -14.806 1.00 0.00 O ATOM 0 H TYR A 65 -16.197 15.406 -13.391 1.00 0.00 H new ATOM 0 HA TYR A 65 -18.236 15.331 -11.528 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -17.829 14.327 -14.329 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -19.258 13.786 -13.470 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -17.444 16.860 -14.558 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -21.151 15.211 -13.255 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.575 18.969 -15.111 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -22.285 17.315 -13.813 1.00 0.00 H new ATOM 0 HH TYR A 65 -22.087 19.371 -14.599 1.00 0.00 H new ATOM 950 N GLY A 66 -18.351 13.156 -10.380 1.00 0.00 N ATOM 951 CA GLY A 66 -18.404 11.890 -9.673 1.00 0.00 C ATOM 952 C GLY A 66 -19.388 10.919 -10.296 1.00 0.00 C ATOM 953 O GLY A 66 -19.863 11.135 -11.409 1.00 0.00 O ATOM 0 H GLY A 66 -18.814 13.931 -9.906 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.411 11.441 -9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.683 12.069 -8.634 1.00 0.00 H new ATOM 957 N GLY A 67 -19.693 9.844 -9.575 1.00 0.00 N ATOM 958 CA GLY A 67 -20.624 8.852 -10.080 1.00 0.00 C ATOM 959 C GLY A 67 -20.813 7.693 -9.122 1.00 0.00 C ATOM 960 O GLY A 67 -21.136 7.892 -7.950 1.00 0.00 O ATOM 0 H GLY A 67 -19.312 9.643 -8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.588 9.325 -10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.263 8.474 -11.036 1.00 0.00 H new ATOM 964 N LYS A 68 -20.614 6.477 -9.620 1.00 0.00 N ATOM 965 CA LYS A 68 -20.765 5.281 -8.801 1.00 0.00 C ATOM 966 C LYS A 68 -19.617 4.306 -9.045 1.00 0.00 C ATOM 967 O LYS A 68 -19.071 4.238 -10.145 1.00 0.00 O ATOM 968 CB LYS A 68 -22.101 4.597 -9.100 1.00 0.00 C ATOM 969 CG LYS A 68 -22.174 3.988 -10.490 1.00 0.00 C ATOM 970 CD LYS A 68 -23.253 2.922 -10.575 1.00 0.00 C ATOM 971 CE LYS A 68 -22.926 1.881 -11.635 1.00 0.00 C ATOM 972 NZ LYS A 68 -23.422 2.284 -12.980 1.00 0.00 N ATOM 0 H LYS A 68 -20.348 6.294 -10.588 1.00 0.00 H new ATOM 0 HA LYS A 68 -20.746 5.584 -7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -22.273 3.815 -8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -22.905 5.324 -8.988 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -22.376 4.771 -11.221 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -21.209 3.552 -10.748 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -23.361 2.435 -9.606 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -24.210 3.389 -10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -21.847 1.731 -11.676 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -23.370 0.926 -11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -23.179 1.549 -13.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -24.455 2.403 -12.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -22.979 3.183 -13.259 1.00 0.00 H new ATOM 986 N GLY A 69 -19.257 3.551 -8.011 1.00 0.00 N ATOM 987 CA GLY A 69 -18.178 2.589 -8.135 1.00 0.00 C ATOM 988 C GLY A 69 -18.592 1.194 -7.712 1.00 0.00 C ATOM 989 O GLY A 69 -19.660 1.007 -7.127 1.00 0.00 O ATOM 0 H GLY A 69 -19.694 3.589 -7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.835 2.565 -9.169 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -17.334 2.914 -7.527 1.00 0.00 H new ATOM 993 N TYR A 70 -17.748 0.212 -8.008 1.00 0.00 N ATOM 994 CA TYR A 70 -18.034 -1.174 -7.657 1.00 0.00 C ATOM 995 C TYR A 70 -18.294 -1.314 -6.160 1.00 0.00 C ATOM 996 O TYR A 70 -17.414 -1.054 -5.340 1.00 0.00 O ATOM 997 CB TYR A 70 -16.872 -2.077 -8.072 1.00 0.00 C ATOM 998 CG TYR A 70 -15.731 -2.089 -7.080 1.00 0.00 C ATOM 999 CD1 TYR A 70 -14.781 -1.074 -7.072 1.00 0.00 C ATOM 1000 CD2 TYR A 70 -15.602 -3.114 -6.151 1.00 0.00 C ATOM 1001 CE1 TYR A 70 -13.736 -1.082 -6.168 1.00 0.00 C ATOM 1002 CE2 TYR A 70 -14.561 -3.129 -5.243 1.00 0.00 C ATOM 1003 CZ TYR A 70 -13.631 -2.111 -5.256 1.00 0.00 C ATOM 1004 OH TYR A 70 -12.592 -2.121 -4.353 1.00 0.00 O ATOM 0 H TYR A 70 -16.860 0.350 -8.490 1.00 0.00 H new ATOM 0 HA TYR A 70 -18.932 -1.481 -8.193 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -17.241 -3.094 -8.201 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -16.496 -1.749 -9.041 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -14.861 -0.266 -7.784 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -16.328 -3.913 -6.139 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -13.005 -0.287 -6.176 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -14.476 -3.933 -4.527 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.664 -2.913 -3.781 1.00 0.00 H new ATOM 1014 N GLU A 71 -19.508 -1.730 -5.813 1.00 0.00 N ATOM 1015 CA GLU A 71 -19.884 -1.905 -4.415 1.00 0.00 C ATOM 1016 C GLU A 71 -19.763 -3.368 -3.999 1.00 0.00 C ATOM 1017 O GLU A 71 -19.749 -4.265 -4.842 1.00 0.00 O ATOM 1018 CB GLU A 71 -21.314 -1.414 -4.183 1.00 0.00 C ATOM 1019 CG GLU A 71 -21.443 0.100 -4.169 1.00 0.00 C ATOM 1020 CD GLU A 71 -22.878 0.562 -4.001 1.00 0.00 C ATOM 1021 OE1 GLU A 71 -23.672 -0.179 -3.384 1.00 0.00 O ATOM 1022 OE2 GLU A 71 -23.206 1.665 -4.486 1.00 0.00 O ATOM 0 H GLU A 71 -20.247 -1.952 -6.480 1.00 0.00 H new ATOM 0 HA GLU A 71 -19.201 -1.314 -3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -21.959 -1.818 -4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -21.676 -1.810 -3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -20.838 0.505 -3.358 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -21.042 0.504 -5.099 1.00 0.00 H new ATOM 1029 N ALA A 72 -19.676 -3.601 -2.693 1.00 0.00 N ATOM 1030 CA ALA A 72 -19.558 -4.954 -2.165 1.00 0.00 C ATOM 1031 C ALA A 72 -20.427 -5.137 -0.925 1.00 0.00 C ATOM 1032 O ALA A 72 -20.445 -4.286 -0.035 1.00 0.00 O ATOM 1033 CB ALA A 72 -18.105 -5.270 -1.844 1.00 0.00 C ATOM 0 H ALA A 72 -19.685 -2.870 -1.982 1.00 0.00 H new ATOM 0 HA ALA A 72 -19.909 -5.648 -2.929 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -18.032 -6.284 -1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -17.506 -5.189 -2.751 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -17.735 -4.564 -1.100 1.00 0.00 H new ATOM 1039 N LYS A 73 -21.148 -6.252 -0.873 1.00 0.00 N ATOM 1040 CA LYS A 73 -22.020 -6.547 0.257 1.00 0.00 C ATOM 1041 C LYS A 73 -21.207 -6.761 1.530 1.00 0.00 C ATOM 1042 O LYS A 73 -20.136 -7.366 1.500 1.00 0.00 O ATOM 1043 CB LYS A 73 -22.865 -7.789 -0.035 1.00 0.00 C ATOM 1044 CG LYS A 73 -24.190 -7.813 0.709 1.00 0.00 C ATOM 1045 CD LYS A 73 -24.974 -9.080 0.411 1.00 0.00 C ATOM 1046 CE LYS A 73 -24.374 -10.286 1.119 1.00 0.00 C ATOM 1047 NZ LYS A 73 -24.881 -10.419 2.513 1.00 0.00 N ATOM 0 H LYS A 73 -21.145 -6.966 -1.601 1.00 0.00 H new ATOM 0 HA LYS A 73 -22.680 -5.693 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -23.059 -7.843 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -22.293 -8.678 0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -24.008 -7.741 1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -24.782 -6.943 0.427 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -26.010 -8.951 0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -24.987 -9.257 -0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -24.610 -11.191 0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -23.288 -10.195 1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -24.449 -11.252 2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -24.634 -9.567 3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -25.915 -10.532 2.497 1.00 0.00 H new ATOM 1061 N SER A 74 -21.724 -6.261 2.648 1.00 0.00 N ATOM 1062 CA SER A 74 -21.045 -6.395 3.931 1.00 0.00 C ATOM 1063 C SER A 74 -21.232 -7.798 4.501 1.00 0.00 C ATOM 1064 O SER A 74 -22.167 -8.509 4.136 1.00 0.00 O ATOM 1065 CB SER A 74 -21.572 -5.356 4.923 1.00 0.00 C ATOM 1066 OG SER A 74 -22.814 -5.760 5.473 1.00 0.00 O ATOM 0 H SER A 74 -22.611 -5.759 2.691 1.00 0.00 H new ATOM 0 HA SER A 74 -19.980 -6.225 3.769 1.00 0.00 H new ATOM 0 HB2 SER A 74 -20.846 -5.212 5.723 1.00 0.00 H new ATOM 0 HB3 SER A 74 -21.688 -4.395 4.421 1.00 0.00 H new ATOM 0 HG SER A 74 -23.129 -5.080 6.105 1.00 0.00 H new ATOM 1072 N GLY A 75 -20.333 -8.191 5.399 1.00 0.00 N ATOM 1073 CA GLY A 75 -20.415 -9.507 6.005 1.00 0.00 C ATOM 1074 C GLY A 75 -20.281 -9.459 7.514 1.00 0.00 C ATOM 1075 O GLY A 75 -19.202 -9.664 8.070 1.00 0.00 O ATOM 0 H GLY A 75 -19.549 -7.621 5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -21.368 -9.966 5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -19.631 -10.143 5.594 1.00 0.00 H new ATOM 1079 N PRO A 76 -21.399 -9.182 8.202 1.00 0.00 N ATOM 1080 CA PRO A 76 -21.427 -9.101 9.666 1.00 0.00 C ATOM 1081 C PRO A 76 -21.241 -10.463 10.326 1.00 0.00 C ATOM 1082 O PRO A 76 -21.088 -11.477 9.645 1.00 0.00 O ATOM 1083 CB PRO A 76 -22.823 -8.548 9.963 1.00 0.00 C ATOM 1084 CG PRO A 76 -23.647 -8.949 8.789 1.00 0.00 C ATOM 1085 CD PRO A 76 -22.720 -8.927 7.605 1.00 0.00 C ATOM 0 HA PRO A 76 -20.617 -8.484 10.056 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.224 -8.962 10.888 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -22.803 -7.465 10.081 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -24.073 -9.942 8.932 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -24.481 -8.262 8.645 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -22.984 -9.690 6.873 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -22.749 -7.967 7.089 1.00 0.00 H new ATOM 1093 N SER A 77 -21.257 -10.478 11.655 1.00 0.00 N ATOM 1094 CA SER A 77 -21.087 -11.716 12.407 1.00 0.00 C ATOM 1095 C SER A 77 -21.907 -11.687 13.693 1.00 0.00 C ATOM 1096 O SER A 77 -22.318 -10.624 14.156 1.00 0.00 O ATOM 1097 CB SER A 77 -19.609 -11.938 12.736 1.00 0.00 C ATOM 1098 OG SER A 77 -18.965 -12.676 11.712 1.00 0.00 O ATOM 0 H SER A 77 -21.386 -9.647 12.233 1.00 0.00 H new ATOM 0 HA SER A 77 -21.442 -12.540 11.789 1.00 0.00 H new ATOM 0 HB2 SER A 77 -19.113 -10.976 12.863 1.00 0.00 H new ATOM 0 HB3 SER A 77 -19.520 -12.470 13.683 1.00 0.00 H new ATOM 0 HG SER A 77 -19.419 -12.515 10.858 1.00 0.00 H new ATOM 1104 N SER A 78 -22.141 -12.864 14.264 1.00 0.00 N ATOM 1105 CA SER A 78 -22.916 -12.976 15.495 1.00 0.00 C ATOM 1106 C SER A 78 -22.065 -13.556 16.621 1.00 0.00 C ATOM 1107 O SER A 78 -20.995 -14.113 16.382 1.00 0.00 O ATOM 1108 CB SER A 78 -24.149 -13.853 15.268 1.00 0.00 C ATOM 1109 OG SER A 78 -23.787 -15.216 15.129 1.00 0.00 O ATOM 0 H SER A 78 -21.805 -13.753 13.894 1.00 0.00 H new ATOM 0 HA SER A 78 -23.239 -11.976 15.785 1.00 0.00 H new ATOM 0 HB2 SER A 78 -24.838 -13.740 16.105 1.00 0.00 H new ATOM 0 HB3 SER A 78 -24.676 -13.520 14.374 1.00 0.00 H new ATOM 0 HG SER A 78 -24.593 -15.756 14.987 1.00 0.00 H new ATOM 1115 N GLY A 79 -22.551 -13.419 17.851 1.00 0.00 N ATOM 1116 CA GLY A 79 -21.824 -13.933 18.997 1.00 0.00 C ATOM 1117 C GLY A 79 -22.593 -13.770 20.293 1.00 0.00 C ATOM 1118 O GLY A 79 -23.823 -13.760 20.262 1.00 0.00 O ATOM 0 H GLY A 79 -23.435 -12.961 18.074 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -21.603 -14.989 18.840 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -20.868 -13.416 19.078 1.00 0.00 H new TER 1122 GLY A 79 HETATM 1123 ZN ZN A 201 3.838 -4.702 1.076 1.00 0.00 ZN HETATM 1124 ZN ZN A 401 -0.871 12.097 -1.799 1.00 0.00 ZN