USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 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 42 HIS HD1 : A 42 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 19:sc= 1 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 16 LYS NZ :NH3+ -146:sc= -0.11 (180deg=-0.945) USER MOD Single : A 20 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.498) USER MOD Single : A 23 THR OG1 : rot 85:sc= 0.00596 USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.0578 (180deg=-0.342) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -3.47! K(o=-3.5!,f=-2.5) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.66 K(o=-0.66,f=0) USER MOD Single : A 50 ASN : amide:sc= 0.444 K(o=0.44,f=-6.2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.00183 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -21:sc= 0.47 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.345 15.523 38.716 1.00 0.00 N ATOM 2 CA GLY A 1 -0.298 16.129 37.915 1.00 0.00 C ATOM 3 C GLY A 1 -0.825 16.721 36.623 1.00 0.00 C ATOM 4 O GLY A 1 -1.550 16.060 35.880 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.933 15.133 39.588 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.056 16.242 38.960 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.798 14.759 38.175 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.193 16.910 38.495 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.459 15.379 37.685 1.00 0.00 H new ATOM 8 N SER A 2 -0.461 17.971 36.356 1.00 0.00 N ATOM 9 CA SER A 2 -0.907 18.655 35.147 1.00 0.00 C ATOM 10 C SER A 2 -0.168 18.128 33.921 1.00 0.00 C ATOM 11 O SER A 2 1.060 18.056 33.906 1.00 0.00 O ATOM 12 CB SER A 2 -0.688 20.163 35.279 1.00 0.00 C ATOM 13 OG SER A 2 -1.611 20.884 34.481 1.00 0.00 O ATOM 0 H SER A 2 0.141 18.531 36.960 1.00 0.00 H new ATOM 0 HA SER A 2 -1.972 18.459 35.020 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.795 20.459 36.322 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.330 20.413 34.980 1.00 0.00 H new ATOM 0 HG SER A 2 -1.451 21.845 34.584 1.00 0.00 H new ATOM 19 N SER A 3 -0.927 17.761 32.893 1.00 0.00 N ATOM 20 CA SER A 3 -0.346 17.237 31.663 1.00 0.00 C ATOM 21 C SER A 3 -0.120 18.355 30.649 1.00 0.00 C ATOM 22 O SER A 3 0.991 18.545 30.156 1.00 0.00 O ATOM 23 CB SER A 3 -1.256 16.164 31.061 1.00 0.00 C ATOM 24 OG SER A 3 -0.508 15.223 30.310 1.00 0.00 O ATOM 0 H SER A 3 -1.945 17.817 32.888 1.00 0.00 H new ATOM 0 HA SER A 3 0.618 16.791 31.907 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.796 15.652 31.858 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.003 16.634 30.421 1.00 0.00 H new ATOM 0 HG SER A 3 -1.112 14.547 29.938 1.00 0.00 H new ATOM 30 N GLY A 4 -1.183 19.092 30.344 1.00 0.00 N ATOM 31 CA GLY A 4 -1.081 20.182 29.391 1.00 0.00 C ATOM 32 C GLY A 4 -2.397 20.470 28.697 1.00 0.00 C ATOM 33 O GLY A 4 -3.406 19.821 28.970 1.00 0.00 O ATOM 0 H GLY A 4 -2.113 18.954 30.740 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.741 21.080 29.906 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.326 19.938 28.644 1.00 0.00 H new ATOM 37 N SER A 5 -2.388 21.448 27.796 1.00 0.00 N ATOM 38 CA SER A 5 -3.591 21.825 27.065 1.00 0.00 C ATOM 39 C SER A 5 -3.748 20.980 25.804 1.00 0.00 C ATOM 40 O SER A 5 -4.701 20.212 25.673 1.00 0.00 O ATOM 41 CB SER A 5 -3.545 23.309 26.694 1.00 0.00 C ATOM 42 OG SER A 5 -4.706 23.693 25.979 1.00 0.00 O ATOM 0 H SER A 5 -1.560 21.993 27.555 1.00 0.00 H new ATOM 0 HA SER A 5 -4.450 21.646 27.712 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.456 23.910 27.599 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.660 23.509 26.090 1.00 0.00 H new ATOM 0 HG SER A 5 -4.652 24.646 25.756 1.00 0.00 H new ATOM 48 N SER A 6 -2.804 21.126 24.880 1.00 0.00 N ATOM 49 CA SER A 6 -2.838 20.380 23.628 1.00 0.00 C ATOM 50 C SER A 6 -1.504 20.487 22.895 1.00 0.00 C ATOM 51 O SER A 6 -1.134 21.554 22.409 1.00 0.00 O ATOM 52 CB SER A 6 -3.967 20.895 22.733 1.00 0.00 C ATOM 53 OG SER A 6 -3.688 22.201 22.261 1.00 0.00 O ATOM 0 H SER A 6 -2.006 21.754 24.975 1.00 0.00 H new ATOM 0 HA SER A 6 -3.020 19.332 23.864 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.101 20.220 21.887 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.904 20.899 23.290 1.00 0.00 H new ATOM 0 HG SER A 6 -2.730 22.385 22.354 1.00 0.00 H new ATOM 59 N GLY A 7 -0.786 19.370 22.821 1.00 0.00 N ATOM 60 CA GLY A 7 0.499 19.359 22.147 1.00 0.00 C ATOM 61 C GLY A 7 0.997 17.954 21.872 1.00 0.00 C ATOM 62 O GLY A 7 2.160 17.640 22.125 1.00 0.00 O ATOM 0 H GLY A 7 -1.071 18.474 23.215 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.417 19.903 21.206 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.231 19.888 22.758 1.00 0.00 H new ATOM 66 N MET A 8 0.115 17.105 21.355 1.00 0.00 N ATOM 67 CA MET A 8 0.472 15.725 21.047 1.00 0.00 C ATOM 68 C MET A 8 0.061 15.363 19.623 1.00 0.00 C ATOM 69 O MET A 8 -0.978 14.741 19.407 1.00 0.00 O ATOM 70 CB MET A 8 -0.192 14.770 22.040 1.00 0.00 C ATOM 71 CG MET A 8 0.396 14.843 23.440 1.00 0.00 C ATOM 72 SD MET A 8 1.925 13.900 23.601 1.00 0.00 S ATOM 73 CE MET A 8 1.696 13.157 25.214 1.00 0.00 C ATOM 0 H MET A 8 -0.852 17.348 21.141 1.00 0.00 H new ATOM 0 HA MET A 8 1.555 15.628 21.130 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.257 14.994 22.090 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.098 13.750 21.668 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.588 15.885 23.695 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.335 14.468 24.157 1.00 0.00 H new ATOM 0 HE1 MET A 8 2.562 12.541 25.457 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.586 13.941 25.963 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.800 12.536 25.205 1.00 0.00 H new ATOM 83 N GLU A 9 0.885 15.756 18.656 1.00 0.00 N ATOM 84 CA GLU A 9 0.605 15.473 17.253 1.00 0.00 C ATOM 85 C GLU A 9 1.878 15.067 16.516 1.00 0.00 C ATOM 86 O GLU A 9 2.947 15.632 16.745 1.00 0.00 O ATOM 87 CB GLU A 9 -0.021 16.695 16.578 1.00 0.00 C ATOM 88 CG GLU A 9 -1.483 16.906 16.936 1.00 0.00 C ATOM 89 CD GLU A 9 -2.040 18.198 16.373 1.00 0.00 C ATOM 90 OE1 GLU A 9 -1.809 18.474 15.177 1.00 0.00 O ATOM 91 OE2 GLU A 9 -2.708 18.935 17.129 1.00 0.00 O ATOM 0 H GLU A 9 1.751 16.271 18.818 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.100 14.643 17.210 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.545 17.584 16.858 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.068 16.588 15.497 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.070 16.068 16.561 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.591 16.910 18.021 1.00 0.00 H new ATOM 98 N ARG A 10 1.754 14.084 15.631 1.00 0.00 N ATOM 99 CA ARG A 10 2.894 13.600 14.861 1.00 0.00 C ATOM 100 C ARG A 10 2.495 13.325 13.414 1.00 0.00 C ATOM 101 O ARG A 10 1.479 12.683 13.151 1.00 0.00 O ATOM 102 CB ARG A 10 3.463 12.330 15.495 1.00 0.00 C ATOM 103 CG ARG A 10 4.535 12.598 16.538 1.00 0.00 C ATOM 104 CD ARG A 10 5.221 11.312 16.975 1.00 0.00 C ATOM 105 NE ARG A 10 4.522 10.670 18.085 1.00 0.00 N ATOM 106 CZ ARG A 10 3.491 9.848 17.927 1.00 0.00 C ATOM 107 NH1 ARG A 10 3.040 9.570 16.711 1.00 0.00 N ATOM 108 NH2 ARG A 10 2.908 9.302 18.986 1.00 0.00 N ATOM 0 H ARG A 10 0.875 13.607 15.429 1.00 0.00 H new ATOM 0 HA ARG A 10 3.660 14.375 14.867 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.650 11.769 15.957 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.881 11.698 14.711 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.276 13.287 16.132 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.088 13.086 17.404 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.272 10.623 16.132 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.247 11.531 17.270 1.00 0.00 H new ATOM 0 HE ARG A 10 4.843 10.864 19.034 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.485 9.988 15.894 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.248 8.938 16.593 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.251 9.513 19.923 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.116 8.671 18.863 1.00 0.00 H new ATOM 122 N GLY A 11 3.303 13.816 12.479 1.00 0.00 N ATOM 123 CA GLY A 11 3.018 13.613 11.071 1.00 0.00 C ATOM 124 C GLY A 11 2.472 14.860 10.404 1.00 0.00 C ATOM 125 O GLY A 11 1.487 15.438 10.863 1.00 0.00 O ATOM 0 H GLY A 11 4.150 14.351 12.672 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.929 13.301 10.560 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.298 12.802 10.963 1.00 0.00 H new ATOM 129 N VAL A 12 3.115 15.278 9.318 1.00 0.00 N ATOM 130 CA VAL A 12 2.689 16.466 8.587 1.00 0.00 C ATOM 131 C VAL A 12 1.169 16.563 8.536 1.00 0.00 C ATOM 132 O VAL A 12 0.468 15.558 8.654 1.00 0.00 O ATOM 133 CB VAL A 12 3.242 16.468 7.150 1.00 0.00 C ATOM 134 CG1 VAL A 12 2.737 17.682 6.385 1.00 0.00 C ATOM 135 CG2 VAL A 12 4.763 16.432 7.164 1.00 0.00 C ATOM 0 H VAL A 12 3.933 14.812 8.925 1.00 0.00 H new ATOM 0 HA VAL A 12 3.087 17.328 9.122 1.00 0.00 H new ATOM 0 HB VAL A 12 2.885 15.573 6.641 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.138 17.666 5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.648 17.659 6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.062 18.591 6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.136 16.434 6.140 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.143 17.308 7.690 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.101 15.529 7.672 1.00 0.00 H new ATOM 145 N ASP A 13 0.665 17.780 8.357 1.00 0.00 N ATOM 146 CA ASP A 13 -0.773 18.009 8.288 1.00 0.00 C ATOM 147 C ASP A 13 -1.305 17.706 6.891 1.00 0.00 C ATOM 148 O ASP A 13 -2.121 16.804 6.709 1.00 0.00 O ATOM 149 CB ASP A 13 -1.099 19.454 8.669 1.00 0.00 C ATOM 150 CG ASP A 13 -1.187 19.651 10.170 1.00 0.00 C ATOM 151 OD1 ASP A 13 -0.124 19.740 10.819 1.00 0.00 O ATOM 152 OD2 ASP A 13 -2.318 19.716 10.695 1.00 0.00 O ATOM 0 H ASP A 13 1.231 18.622 8.257 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.258 17.336 8.995 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.334 20.115 8.263 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.045 19.743 8.211 1.00 0.00 H new ATOM 157 N ASN A 14 -0.836 18.467 5.907 1.00 0.00 N ATOM 158 CA ASN A 14 -1.266 18.281 4.525 1.00 0.00 C ATOM 159 C ASN A 14 -1.219 16.807 4.135 1.00 0.00 C ATOM 160 O ASN A 14 -2.256 16.171 3.945 1.00 0.00 O ATOM 161 CB ASN A 14 -0.384 19.099 3.580 1.00 0.00 C ATOM 162 CG ASN A 14 -1.081 19.419 2.272 1.00 0.00 C ATOM 163 OD1 ASN A 14 -2.076 18.789 1.915 1.00 0.00 O ATOM 164 ND2 ASN A 14 -0.559 20.405 1.550 1.00 0.00 N ATOM 0 H ASN A 14 -0.159 19.218 6.041 1.00 0.00 H new ATOM 0 HA ASN A 14 -2.296 18.628 4.441 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.094 20.028 4.071 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.533 18.547 3.374 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.985 20.667 0.661 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.267 20.900 1.885 1.00 0.00 H new ATOM 171 N TRP A 15 -0.010 16.270 4.019 1.00 0.00 N ATOM 172 CA TRP A 15 0.173 14.870 3.652 1.00 0.00 C ATOM 173 C TRP A 15 0.656 14.053 4.845 1.00 0.00 C ATOM 174 O TRP A 15 1.785 14.220 5.308 1.00 0.00 O ATOM 175 CB TRP A 15 1.169 14.750 2.498 1.00 0.00 C ATOM 176 CG TRP A 15 0.596 15.155 1.173 1.00 0.00 C ATOM 177 CD1 TRP A 15 0.949 16.241 0.425 1.00 0.00 C ATOM 178 CD2 TRP A 15 -0.432 14.479 0.442 1.00 0.00 C ATOM 179 NE1 TRP A 15 0.202 16.281 -0.727 1.00 0.00 N ATOM 180 CE2 TRP A 15 -0.652 15.211 -0.741 1.00 0.00 C ATOM 181 CE3 TRP A 15 -1.187 13.325 0.670 1.00 0.00 C ATOM 182 CZ2 TRP A 15 -1.596 14.826 -1.690 1.00 0.00 C ATOM 183 CZ3 TRP A 15 -2.124 12.945 -0.272 1.00 0.00 C ATOM 184 CH2 TRP A 15 -2.321 13.692 -1.440 1.00 0.00 C ATOM 0 H TRP A 15 0.858 16.782 4.174 1.00 0.00 H new ATOM 0 HA TRP A 15 -0.791 14.475 3.332 1.00 0.00 H new ATOM 0 HB2 TRP A 15 2.040 15.369 2.713 1.00 0.00 H new ATOM 0 HB3 TRP A 15 1.518 13.719 2.435 1.00 0.00 H new ATOM 0 HD1 TRP A 15 1.704 16.963 0.699 1.00 0.00 H new ATOM 0 HE1 TRP A 15 0.272 16.993 -1.454 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -1.041 12.741 1.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -1.750 15.401 -2.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.715 12.056 -0.104 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -3.060 13.367 -2.158 1.00 0.00 H new ATOM 195 N LYS A 16 -0.204 13.169 5.338 1.00 0.00 N ATOM 196 CA LYS A 16 0.136 12.324 6.477 1.00 0.00 C ATOM 197 C LYS A 16 1.353 11.457 6.168 1.00 0.00 C ATOM 198 O LYS A 16 1.245 10.442 5.480 1.00 0.00 O ATOM 199 CB LYS A 16 -1.053 11.437 6.853 1.00 0.00 C ATOM 200 CG LYS A 16 -2.021 12.094 7.822 1.00 0.00 C ATOM 201 CD LYS A 16 -2.881 11.065 8.535 1.00 0.00 C ATOM 202 CE LYS A 16 -2.219 10.575 9.814 1.00 0.00 C ATOM 203 NZ LYS A 16 -1.339 9.399 9.567 1.00 0.00 N ATOM 0 H LYS A 16 -1.142 13.019 4.967 1.00 0.00 H new ATOM 0 HA LYS A 16 0.378 12.973 7.319 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.591 11.162 5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.680 10.513 7.295 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.464 12.675 8.556 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.660 12.792 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.852 11.501 8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.064 10.220 7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.632 11.382 10.252 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.986 10.308 10.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.369 8.764 10.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.670 8.889 8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.362 9.722 9.415 1.00 0.00 H new ATOM 217 N VAL A 17 2.509 11.864 6.681 1.00 0.00 N ATOM 218 CA VAL A 17 3.746 11.123 6.462 1.00 0.00 C ATOM 219 C VAL A 17 4.121 10.304 7.692 1.00 0.00 C ATOM 220 O VAL A 17 4.736 10.816 8.628 1.00 0.00 O ATOM 221 CB VAL A 17 4.911 12.068 6.113 1.00 0.00 C ATOM 222 CG1 VAL A 17 6.238 11.326 6.180 1.00 0.00 C ATOM 223 CG2 VAL A 17 4.704 12.683 4.737 1.00 0.00 C ATOM 0 H VAL A 17 2.615 12.703 7.251 1.00 0.00 H new ATOM 0 HA VAL A 17 3.569 10.451 5.622 1.00 0.00 H new ATOM 0 HB VAL A 17 4.935 12.874 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.050 12.009 5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.387 10.938 7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.229 10.499 5.470 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.536 13.348 4.507 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.654 11.892 3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.773 13.250 4.728 1.00 0.00 H new ATOM 233 N ASP A 18 3.747 9.029 7.683 1.00 0.00 N ATOM 234 CA ASP A 18 4.046 8.137 8.797 1.00 0.00 C ATOM 235 C ASP A 18 4.665 6.835 8.300 1.00 0.00 C ATOM 236 O ASP A 18 4.178 6.227 7.346 1.00 0.00 O ATOM 237 CB ASP A 18 2.775 7.840 9.594 1.00 0.00 C ATOM 238 CG ASP A 18 2.511 8.875 10.670 1.00 0.00 C ATOM 239 OD1 ASP A 18 2.023 9.974 10.330 1.00 0.00 O ATOM 240 OD2 ASP A 18 2.791 8.587 11.852 1.00 0.00 O ATOM 0 H ASP A 18 3.236 8.590 6.917 1.00 0.00 H new ATOM 0 HA ASP A 18 4.766 8.635 9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.924 7.802 8.914 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.860 6.855 10.054 1.00 0.00 H new ATOM 245 N CYS A 19 5.744 6.412 8.951 1.00 0.00 N ATOM 246 CA CYS A 19 6.432 5.184 8.575 1.00 0.00 C ATOM 247 C CYS A 19 6.426 4.182 9.726 1.00 0.00 C ATOM 248 O CYS A 19 5.895 4.459 10.802 1.00 0.00 O ATOM 249 CB CYS A 19 7.872 5.488 8.157 1.00 0.00 C ATOM 250 SG CYS A 19 8.546 4.336 6.917 1.00 0.00 S ATOM 0 H CYS A 19 6.160 6.903 9.742 1.00 0.00 H new ATOM 0 HA CYS A 19 5.901 4.744 7.731 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.917 6.501 7.758 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.508 5.465 9.042 1.00 0.00 H new ATOM 255 N LYS A 20 7.020 3.017 9.493 1.00 0.00 N ATOM 256 CA LYS A 20 7.086 1.974 10.509 1.00 0.00 C ATOM 257 C LYS A 20 8.352 2.110 11.348 1.00 0.00 C ATOM 258 O LYS A 20 8.344 1.846 12.551 1.00 0.00 O ATOM 259 CB LYS A 20 7.041 0.591 9.854 1.00 0.00 C ATOM 260 CG LYS A 20 8.263 0.280 9.007 1.00 0.00 C ATOM 261 CD LYS A 20 8.086 -1.011 8.225 1.00 0.00 C ATOM 262 CE LYS A 20 8.584 -2.213 9.013 1.00 0.00 C ATOM 263 NZ LYS A 20 7.520 -2.786 9.883 1.00 0.00 N ATOM 0 H LYS A 20 7.463 2.771 8.608 1.00 0.00 H new ATOM 0 HA LYS A 20 6.223 2.087 11.165 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.945 -0.167 10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.150 0.522 9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.447 1.103 8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.141 0.200 9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.033 -1.147 7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.628 -0.943 7.282 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.939 -2.978 8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.435 -1.918 9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.871 -2.857 10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.683 -2.169 9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.262 -3.733 9.538 1.00 0.00 H new ATOM 277 N CYS A 21 9.439 2.526 10.707 1.00 0.00 N ATOM 278 CA CYS A 21 10.714 2.699 11.393 1.00 0.00 C ATOM 279 C CYS A 21 10.637 3.841 12.403 1.00 0.00 C ATOM 280 O CYS A 21 11.082 3.707 13.542 1.00 0.00 O ATOM 281 CB CYS A 21 11.829 2.971 10.382 1.00 0.00 C ATOM 282 SG CYS A 21 11.600 4.499 9.416 1.00 0.00 S ATOM 0 H CYS A 21 9.462 2.750 9.712 1.00 0.00 H new ATOM 0 HA CYS A 21 10.938 1.777 11.930 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.780 3.028 10.912 1.00 0.00 H new ATOM 0 HB3 CYS A 21 11.897 2.127 9.696 1.00 0.00 H new ATOM 287 N GLY A 22 10.069 4.964 11.975 1.00 0.00 N ATOM 288 CA GLY A 22 9.944 6.113 12.853 1.00 0.00 C ATOM 289 C GLY A 22 9.759 7.409 12.089 1.00 0.00 C ATOM 290 O GLY A 22 9.018 8.293 12.521 1.00 0.00 O ATOM 0 H GLY A 22 9.693 5.099 11.036 1.00 0.00 H new ATOM 0 HA2 GLY A 22 9.096 5.965 13.522 1.00 0.00 H new ATOM 0 HA3 GLY A 22 10.834 6.187 13.478 1.00 0.00 H new ATOM 294 N THR A 23 10.434 7.525 10.949 1.00 0.00 N ATOM 295 CA THR A 23 10.342 8.723 10.125 1.00 0.00 C ATOM 296 C THR A 23 8.891 9.059 9.804 1.00 0.00 C ATOM 297 O THR A 23 8.231 8.349 9.044 1.00 0.00 O ATOM 298 CB THR A 23 11.123 8.559 8.807 1.00 0.00 C ATOM 299 OG1 THR A 23 12.446 8.083 9.078 1.00 0.00 O ATOM 300 CG2 THR A 23 11.198 9.879 8.055 1.00 0.00 C ATOM 0 H THR A 23 11.050 6.803 10.576 1.00 0.00 H new ATOM 0 HA THR A 23 10.782 9.537 10.701 1.00 0.00 H new ATOM 0 HB THR A 23 10.597 7.834 8.186 1.00 0.00 H new ATOM 0 HG1 THR A 23 12.432 7.106 9.157 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.754 9.739 7.128 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.190 10.224 7.825 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.704 10.621 8.672 1.00 0.00 H new ATOM 308 N LYS A 24 8.398 10.148 10.385 1.00 0.00 N ATOM 309 CA LYS A 24 7.024 10.581 10.160 1.00 0.00 C ATOM 310 C LYS A 24 6.987 11.981 9.555 1.00 0.00 C ATOM 311 O LYS A 24 5.978 12.680 9.646 1.00 0.00 O ATOM 312 CB LYS A 24 6.239 10.560 11.473 1.00 0.00 C ATOM 313 CG LYS A 24 6.743 11.560 12.499 1.00 0.00 C ATOM 314 CD LYS A 24 7.780 10.939 13.419 1.00 0.00 C ATOM 315 CE LYS A 24 8.373 11.971 14.368 1.00 0.00 C ATOM 316 NZ LYS A 24 9.097 13.046 13.635 1.00 0.00 N ATOM 0 H LYS A 24 8.930 10.747 11.016 1.00 0.00 H new ATOM 0 HA LYS A 24 6.562 9.888 9.457 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.190 10.766 11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.288 9.558 11.900 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.177 12.420 11.988 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.905 11.930 13.090 1.00 0.00 H new ATOM 0 HD2 LYS A 24 7.322 10.135 13.995 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.575 10.492 12.823 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.577 12.413 14.968 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.057 11.478 15.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 9.719 13.557 14.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.669 12.624 12.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.410 13.709 13.223 1.00 0.00 H new ATOM 330 N ASP A 25 8.092 12.382 8.937 1.00 0.00 N ATOM 331 CA ASP A 25 8.185 13.698 8.315 1.00 0.00 C ATOM 332 C ASP A 25 8.823 13.602 6.932 1.00 0.00 C ATOM 333 O ASP A 25 9.304 12.541 6.532 1.00 0.00 O ATOM 334 CB ASP A 25 8.995 14.648 9.199 1.00 0.00 C ATOM 335 CG ASP A 25 10.423 14.180 9.395 1.00 0.00 C ATOM 336 OD1 ASP A 25 10.618 12.989 9.715 1.00 0.00 O ATOM 337 OD2 ASP A 25 11.346 15.005 9.230 1.00 0.00 O ATOM 0 H ASP A 25 8.936 11.815 8.853 1.00 0.00 H new ATOM 0 HA ASP A 25 7.175 14.091 8.203 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.000 15.642 8.751 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.509 14.739 10.170 1.00 0.00 H new ATOM 342 N ASP A 26 8.824 14.715 6.208 1.00 0.00 N ATOM 343 CA ASP A 26 9.403 14.757 4.870 1.00 0.00 C ATOM 344 C ASP A 26 10.881 15.131 4.929 1.00 0.00 C ATOM 345 O ASP A 26 11.229 16.297 5.121 1.00 0.00 O ATOM 346 CB ASP A 26 8.646 15.755 3.994 1.00 0.00 C ATOM 347 CG ASP A 26 7.476 15.119 3.269 1.00 0.00 C ATOM 348 OD1 ASP A 26 6.384 15.031 3.868 1.00 0.00 O ATOM 349 OD2 ASP A 26 7.653 14.707 2.103 1.00 0.00 O ATOM 0 H ASP A 26 8.430 15.601 6.525 1.00 0.00 H new ATOM 0 HA ASP A 26 9.316 13.763 4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.283 16.575 4.613 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.331 16.186 3.264 1.00 0.00 H new ATOM 354 N ASP A 27 11.745 14.136 4.765 1.00 0.00 N ATOM 355 CA ASP A 27 13.186 14.361 4.799 1.00 0.00 C ATOM 356 C ASP A 27 13.731 14.610 3.396 1.00 0.00 C ATOM 357 O ASP A 27 14.216 15.699 3.092 1.00 0.00 O ATOM 358 CB ASP A 27 13.896 13.162 5.430 1.00 0.00 C ATOM 359 CG ASP A 27 15.296 12.966 4.884 1.00 0.00 C ATOM 360 OD1 ASP A 27 15.966 13.978 4.591 1.00 0.00 O ATOM 361 OD2 ASP A 27 15.723 11.800 4.750 1.00 0.00 O ATOM 0 H ASP A 27 11.473 13.166 4.607 1.00 0.00 H new ATOM 0 HA ASP A 27 13.376 15.247 5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 27 13.946 13.300 6.510 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.310 12.261 5.251 1.00 0.00 H new ATOM 366 N GLY A 28 13.647 13.592 2.545 1.00 0.00 N ATOM 367 CA GLY A 28 14.137 13.720 1.185 1.00 0.00 C ATOM 368 C GLY A 28 14.316 12.378 0.504 1.00 0.00 C ATOM 369 O GLY A 28 15.249 12.190 -0.276 1.00 0.00 O ATOM 0 H GLY A 28 13.248 12.681 2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.440 14.327 0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.090 14.249 1.194 1.00 0.00 H new ATOM 373 N GLU A 29 13.420 11.441 0.801 1.00 0.00 N ATOM 374 CA GLU A 29 13.486 10.109 0.213 1.00 0.00 C ATOM 375 C GLU A 29 12.193 9.776 -0.527 1.00 0.00 C ATOM 376 O GLU A 29 11.132 10.317 -0.217 1.00 0.00 O ATOM 377 CB GLU A 29 13.750 9.061 1.297 1.00 0.00 C ATOM 378 CG GLU A 29 15.172 9.084 1.831 1.00 0.00 C ATOM 379 CD GLU A 29 15.508 7.851 2.648 1.00 0.00 C ATOM 380 OE1 GLU A 29 14.857 7.635 3.692 1.00 0.00 O ATOM 381 OE2 GLU A 29 16.422 7.103 2.244 1.00 0.00 O ATOM 0 H GLU A 29 12.641 11.580 1.445 1.00 0.00 H new ATOM 0 HA GLU A 29 14.308 10.096 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.058 9.223 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.538 8.071 0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.868 9.163 0.996 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.311 9.972 2.447 1.00 0.00 H new ATOM 388 N ARG A 30 12.292 8.883 -1.506 1.00 0.00 N ATOM 389 CA ARG A 30 11.132 8.479 -2.292 1.00 0.00 C ATOM 390 C ARG A 30 10.069 7.839 -1.403 1.00 0.00 C ATOM 391 O ARG A 30 10.370 6.965 -0.591 1.00 0.00 O ATOM 392 CB ARG A 30 11.549 7.501 -3.391 1.00 0.00 C ATOM 393 CG ARG A 30 10.460 7.238 -4.418 1.00 0.00 C ATOM 394 CD ARG A 30 11.042 6.747 -5.734 1.00 0.00 C ATOM 395 NE ARG A 30 10.140 6.991 -6.857 1.00 0.00 N ATOM 396 CZ ARG A 30 10.198 6.325 -8.005 1.00 0.00 C ATOM 397 NH1 ARG A 30 11.111 5.380 -8.181 1.00 0.00 N ATOM 398 NH2 ARG A 30 9.342 6.604 -8.979 1.00 0.00 N ATOM 0 H ARG A 30 13.163 8.425 -1.774 1.00 0.00 H new ATOM 0 HA ARG A 30 10.708 9.372 -2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.429 7.894 -3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 30 11.841 6.556 -2.933 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.762 6.497 -4.028 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.891 8.152 -4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.993 7.246 -5.918 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.251 5.680 -5.662 1.00 0.00 H new ATOM 0 HE ARG A 30 9.426 7.712 -6.754 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.771 5.163 -7.434 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.154 4.870 -9.063 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.638 7.331 -8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.387 6.092 -9.860 1.00 0.00 H new ATOM 412 N MET A 31 8.827 8.282 -1.563 1.00 0.00 N ATOM 413 CA MET A 31 7.720 7.752 -0.775 1.00 0.00 C ATOM 414 C MET A 31 6.503 7.489 -1.656 1.00 0.00 C ATOM 415 O MET A 31 6.529 7.744 -2.861 1.00 0.00 O ATOM 416 CB MET A 31 7.351 8.725 0.347 1.00 0.00 C ATOM 417 CG MET A 31 8.534 9.132 1.211 1.00 0.00 C ATOM 418 SD MET A 31 8.360 10.794 1.887 1.00 0.00 S ATOM 419 CE MET A 31 8.652 10.484 3.627 1.00 0.00 C ATOM 0 H MET A 31 8.561 9.006 -2.230 1.00 0.00 H new ATOM 0 HA MET A 31 8.040 6.807 -0.335 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.906 9.619 -0.090 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.590 8.267 0.979 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.643 8.421 2.030 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.447 9.079 0.618 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.578 11.420 4.181 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.908 9.781 4.001 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.648 10.062 3.759 1.00 0.00 H new ATOM 429 N LEU A 32 5.438 6.978 -1.048 1.00 0.00 N ATOM 430 CA LEU A 32 4.210 6.680 -1.778 1.00 0.00 C ATOM 431 C LEU A 32 3.023 6.574 -0.826 1.00 0.00 C ATOM 432 O LEU A 32 3.116 5.954 0.232 1.00 0.00 O ATOM 433 CB LEU A 32 4.364 5.378 -2.566 1.00 0.00 C ATOM 434 CG LEU A 32 4.159 4.086 -1.773 1.00 0.00 C ATOM 435 CD1 LEU A 32 3.992 2.903 -2.715 1.00 0.00 C ATOM 436 CD2 LEU A 32 5.324 3.853 -0.822 1.00 0.00 C ATOM 0 H LEU A 32 5.400 6.761 -0.052 1.00 0.00 H new ATOM 0 HA LEU A 32 4.023 7.498 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.653 5.390 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.362 5.358 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 32 3.249 4.185 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.847 1.992 -2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.125 3.067 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.884 2.801 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.161 2.930 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.249 3.775 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.397 4.688 -0.125 1.00 0.00 H new ATOM 448 N ALA A 33 1.906 7.183 -1.212 1.00 0.00 N ATOM 449 CA ALA A 33 0.699 7.154 -0.395 1.00 0.00 C ATOM 450 C ALA A 33 -0.021 5.816 -0.527 1.00 0.00 C ATOM 451 O ALA A 33 -0.124 5.259 -1.620 1.00 0.00 O ATOM 452 CB ALA A 33 -0.229 8.295 -0.784 1.00 0.00 C ATOM 0 H ALA A 33 1.812 7.702 -2.085 1.00 0.00 H new ATOM 0 HA ALA A 33 0.992 7.278 0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.126 8.261 -0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.281 9.246 -0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.507 8.196 -1.833 1.00 0.00 H new ATOM 458 N CYS A 34 -0.516 5.303 0.595 1.00 0.00 N ATOM 459 CA CYS A 34 -1.225 4.029 0.606 1.00 0.00 C ATOM 460 C CYS A 34 -2.650 4.195 0.087 1.00 0.00 C ATOM 461 O CYS A 34 -3.492 4.812 0.741 1.00 0.00 O ATOM 462 CB CYS A 34 -1.250 3.448 2.021 1.00 0.00 C ATOM 463 SG CYS A 34 -2.610 2.273 2.318 1.00 0.00 S ATOM 0 H CYS A 34 -0.439 5.750 1.508 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.695 3.341 -0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.302 2.946 2.213 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.328 4.266 2.737 1.00 0.00 H new ATOM 468 N ASP A 35 -2.914 3.641 -1.091 1.00 0.00 N ATOM 469 CA ASP A 35 -4.237 3.726 -1.697 1.00 0.00 C ATOM 470 C ASP A 35 -5.322 3.367 -0.687 1.00 0.00 C ATOM 471 O ASP A 35 -6.392 3.974 -0.667 1.00 0.00 O ATOM 472 CB ASP A 35 -4.326 2.800 -2.911 1.00 0.00 C ATOM 473 CG ASP A 35 -3.537 3.321 -4.096 1.00 0.00 C ATOM 474 OD1 ASP A 35 -2.519 4.010 -3.875 1.00 0.00 O ATOM 475 OD2 ASP A 35 -3.938 3.040 -5.245 1.00 0.00 O ATOM 0 H ASP A 35 -2.229 3.128 -1.645 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.395 4.754 -2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.956 1.812 -2.638 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.371 2.681 -3.198 1.00 0.00 H new ATOM 480 N GLY A 36 -5.039 2.374 0.150 1.00 0.00 N ATOM 481 CA GLY A 36 -6.000 1.950 1.151 1.00 0.00 C ATOM 482 C GLY A 36 -6.528 3.107 1.976 1.00 0.00 C ATOM 483 O GLY A 36 -7.659 3.552 1.782 1.00 0.00 O ATOM 0 H GLY A 36 -4.161 1.855 0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.834 1.448 0.660 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.533 1.220 1.812 1.00 0.00 H new ATOM 487 N CYS A 37 -5.707 3.595 2.900 1.00 0.00 N ATOM 488 CA CYS A 37 -6.097 4.706 3.759 1.00 0.00 C ATOM 489 C CYS A 37 -5.641 6.037 3.168 1.00 0.00 C ATOM 490 O CYS A 37 -6.411 6.995 3.101 1.00 0.00 O ATOM 491 CB CYS A 37 -5.504 4.528 5.159 1.00 0.00 C ATOM 492 SG CYS A 37 -3.692 4.343 5.181 1.00 0.00 S ATOM 0 H CYS A 37 -4.767 3.238 3.073 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.185 4.713 3.830 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.778 5.388 5.770 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.954 3.651 5.624 1.00 0.00 H new ATOM 497 N GLY A 38 -4.383 6.089 2.739 1.00 0.00 N ATOM 498 CA GLY A 38 -3.847 7.306 2.159 1.00 0.00 C ATOM 499 C GLY A 38 -2.669 7.851 2.942 1.00 0.00 C ATOM 500 O GLY A 38 -2.500 9.065 3.059 1.00 0.00 O ATOM 0 H GLY A 38 -3.726 5.310 2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.538 7.110 1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.632 8.061 2.117 1.00 0.00 H new ATOM 504 N VAL A 39 -1.852 6.952 3.482 1.00 0.00 N ATOM 505 CA VAL A 39 -0.684 7.350 4.259 1.00 0.00 C ATOM 506 C VAL A 39 0.607 7.018 3.519 1.00 0.00 C ATOM 507 O VAL A 39 0.732 5.953 2.915 1.00 0.00 O ATOM 508 CB VAL A 39 -0.665 6.660 5.636 1.00 0.00 C ATOM 509 CG1 VAL A 39 0.657 6.917 6.344 1.00 0.00 C ATOM 510 CG2 VAL A 39 -1.835 7.135 6.485 1.00 0.00 C ATOM 0 H VAL A 39 -1.977 5.943 3.396 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.751 8.429 4.402 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.766 5.585 5.486 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.652 6.422 7.315 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.475 6.524 5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.792 7.989 6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.807 6.638 7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.766 8.213 6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.771 6.895 5.981 1.00 0.00 H new ATOM 520 N TRP A 40 1.565 7.936 3.572 1.00 0.00 N ATOM 521 CA TRP A 40 2.848 7.741 2.907 1.00 0.00 C ATOM 522 C TRP A 40 3.706 6.734 3.664 1.00 0.00 C ATOM 523 O TRP A 40 3.460 6.451 4.837 1.00 0.00 O ATOM 524 CB TRP A 40 3.591 9.072 2.784 1.00 0.00 C ATOM 525 CG TRP A 40 2.887 10.066 1.911 1.00 0.00 C ATOM 526 CD1 TRP A 40 1.893 10.926 2.282 1.00 0.00 C ATOM 527 CD2 TRP A 40 3.124 10.302 0.518 1.00 0.00 C ATOM 528 NE1 TRP A 40 1.497 11.681 1.205 1.00 0.00 N ATOM 529 CE2 TRP A 40 2.238 11.319 0.111 1.00 0.00 C ATOM 530 CE3 TRP A 40 4.000 9.756 -0.423 1.00 0.00 C ATOM 531 CZ2 TRP A 40 2.203 11.796 -1.196 1.00 0.00 C ATOM 532 CZ3 TRP A 40 3.964 10.230 -1.721 1.00 0.00 C ATOM 533 CH2 TRP A 40 3.071 11.243 -2.097 1.00 0.00 C ATOM 0 H TRP A 40 1.478 8.823 4.069 1.00 0.00 H new ATOM 0 HA TRP A 40 2.655 7.348 1.909 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.722 9.500 3.778 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.588 8.888 2.383 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.479 11.001 3.277 1.00 0.00 H new ATOM 0 HE1 TRP A 40 0.769 12.395 1.218 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.693 8.977 -0.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 1.515 12.575 -1.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.635 9.813 -2.458 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.068 11.594 -3.118 1.00 0.00 H new ATOM 544 N HIS A 41 4.716 6.195 2.987 1.00 0.00 N ATOM 545 CA HIS A 41 5.611 5.219 3.598 1.00 0.00 C ATOM 546 C HIS A 41 6.902 5.089 2.795 1.00 0.00 C ATOM 547 O HIS A 41 6.910 5.277 1.578 1.00 0.00 O ATOM 548 CB HIS A 41 4.923 3.858 3.702 1.00 0.00 C ATOM 549 CG HIS A 41 4.146 3.675 4.969 1.00 0.00 C ATOM 550 ND1 HIS A 41 4.675 3.084 6.098 1.00 0.00 N ATOM 551 CD2 HIS A 41 2.872 4.009 5.283 1.00 0.00 C ATOM 552 CE1 HIS A 41 3.760 3.062 7.050 1.00 0.00 C ATOM 553 NE2 HIS A 41 2.657 3.618 6.582 1.00 0.00 N ATOM 0 H HIS A 41 4.934 6.418 2.016 1.00 0.00 H new ATOM 0 HA HIS A 41 5.860 5.569 4.600 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.251 3.734 2.852 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.676 3.073 3.631 1.00 0.00 H new ATOM 0 HD2 HIS A 41 2.158 4.493 4.633 1.00 0.00 H new ATOM 0 HE1 HIS A 41 3.891 2.658 8.043 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.787 3.738 7.101 1.00 0.00 H new ATOM 562 N HIS A 42 7.992 4.768 3.485 1.00 0.00 N ATOM 563 CA HIS A 42 9.289 4.613 2.836 1.00 0.00 C ATOM 564 C HIS A 42 9.282 3.420 1.885 1.00 0.00 C ATOM 565 O HIS A 42 9.151 2.273 2.312 1.00 0.00 O ATOM 566 CB HIS A 42 10.390 4.439 3.883 1.00 0.00 C ATOM 567 CG HIS A 42 10.948 5.735 4.386 1.00 0.00 C ATOM 568 ND1 HIS A 42 11.239 5.963 5.715 1.00 0.00 N ATOM 569 CD2 HIS A 42 11.270 6.874 3.731 1.00 0.00 C ATOM 570 CE1 HIS A 42 11.714 7.188 5.855 1.00 0.00 C ATOM 571 NE2 HIS A 42 11.744 7.761 4.665 1.00 0.00 N ATOM 0 H HIS A 42 8.003 4.610 4.493 1.00 0.00 H new ATOM 0 HA HIS A 42 9.488 5.515 2.257 1.00 0.00 H new ATOM 0 HB2 HIS A 42 9.993 3.873 4.725 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.198 3.847 3.454 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.172 7.052 2.670 1.00 0.00 H new ATOM 0 HE1 HIS A 42 12.025 7.643 6.784 1.00 0.00 H new ATOM 0 HE2 HIS A 42 12.067 8.709 4.472 1.00 0.00 H new ATOM 579 N THR A 43 9.424 3.699 0.592 1.00 0.00 N ATOM 580 CA THR A 43 9.432 2.650 -0.419 1.00 0.00 C ATOM 581 C THR A 43 10.473 1.583 -0.097 1.00 0.00 C ATOM 582 O THR A 43 10.301 0.413 -0.437 1.00 0.00 O ATOM 583 CB THR A 43 9.717 3.222 -1.820 1.00 0.00 C ATOM 584 OG1 THR A 43 10.986 3.885 -1.830 1.00 0.00 O ATOM 585 CG2 THR A 43 8.627 4.198 -2.238 1.00 0.00 C ATOM 0 H THR A 43 9.535 4.643 0.221 1.00 0.00 H new ATOM 0 HA THR A 43 8.440 2.199 -0.414 1.00 0.00 H new ATOM 0 HB THR A 43 9.734 2.394 -2.529 1.00 0.00 H new ATOM 0 HG1 THR A 43 11.160 4.244 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.850 4.589 -3.231 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.666 3.684 -2.258 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.583 5.021 -1.525 1.00 0.00 H new ATOM 593 N ARG A 44 11.551 1.995 0.561 1.00 0.00 N ATOM 594 CA ARG A 44 12.620 1.075 0.928 1.00 0.00 C ATOM 595 C ARG A 44 12.242 0.270 2.169 1.00 0.00 C ATOM 596 O ARG A 44 12.602 -0.901 2.296 1.00 0.00 O ATOM 597 CB ARG A 44 13.919 1.842 1.182 1.00 0.00 C ATOM 598 CG ARG A 44 13.739 3.071 2.058 1.00 0.00 C ATOM 599 CD ARG A 44 15.058 3.520 2.666 1.00 0.00 C ATOM 600 NE ARG A 44 15.824 4.364 1.752 1.00 0.00 N ATOM 601 CZ ARG A 44 16.651 3.885 0.829 1.00 0.00 C ATOM 602 NH1 ARG A 44 16.818 2.577 0.698 1.00 0.00 N ATOM 603 NH2 ARG A 44 17.312 4.717 0.034 1.00 0.00 N ATOM 0 H ARG A 44 11.707 2.960 0.851 1.00 0.00 H new ATOM 0 HA ARG A 44 12.771 0.384 0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.640 1.173 1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.344 2.147 0.226 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.315 3.882 1.466 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.027 2.851 2.853 1.00 0.00 H new ATOM 0 HD2 ARG A 44 14.864 4.068 3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 44 15.650 2.645 2.933 1.00 0.00 H new ATOM 0 HE ARG A 44 15.718 5.376 1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 44 16.311 1.935 1.307 1.00 0.00 H new ATOM 0 HH12 ARG A 44 17.454 2.213 -0.012 1.00 0.00 H new ATOM 0 HH21 ARG A 44 17.185 5.724 0.132 1.00 0.00 H new ATOM 0 HH22 ARG A 44 17.947 4.349 -0.675 1.00 0.00 H new ATOM 617 N CYS A 45 11.515 0.906 3.081 1.00 0.00 N ATOM 618 CA CYS A 45 11.088 0.251 4.312 1.00 0.00 C ATOM 619 C CYS A 45 10.059 -0.838 4.020 1.00 0.00 C ATOM 620 O CYS A 45 10.203 -1.977 4.465 1.00 0.00 O ATOM 621 CB CYS A 45 10.500 1.277 5.283 1.00 0.00 C ATOM 622 SG CYS A 45 11.742 2.357 6.064 1.00 0.00 S ATOM 0 H CYS A 45 11.209 1.875 2.991 1.00 0.00 H new ATOM 0 HA CYS A 45 11.962 -0.213 4.770 1.00 0.00 H new ATOM 0 HB2 CYS A 45 9.780 1.897 4.748 1.00 0.00 H new ATOM 0 HB3 CYS A 45 9.950 0.750 6.063 1.00 0.00 H new ATOM 627 N ILE A 46 9.023 -0.479 3.270 1.00 0.00 N ATOM 628 CA ILE A 46 7.971 -1.425 2.919 1.00 0.00 C ATOM 629 C ILE A 46 8.544 -2.644 2.204 1.00 0.00 C ATOM 630 O ILE A 46 7.998 -3.742 2.292 1.00 0.00 O ATOM 631 CB ILE A 46 6.904 -0.772 2.020 1.00 0.00 C ATOM 632 CG1 ILE A 46 7.544 -0.237 0.737 1.00 0.00 C ATOM 633 CG2 ILE A 46 6.193 0.346 2.769 1.00 0.00 C ATOM 634 CD1 ILE A 46 6.537 0.152 -0.323 1.00 0.00 C ATOM 0 H ILE A 46 8.889 0.460 2.894 1.00 0.00 H new ATOM 0 HA ILE A 46 7.505 -1.740 3.853 1.00 0.00 H new ATOM 0 HB ILE A 46 6.167 -1.528 1.748 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.157 0.631 0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.213 -0.996 0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.442 0.798 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.709 -0.061 3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.918 1.103 3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.061 0.522 -1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 46 5.940 -0.719 -0.595 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.883 0.933 0.065 1.00 0.00 H new ATOM 646 N GLY A 47 9.652 -2.442 1.497 1.00 0.00 N ATOM 647 CA GLY A 47 10.283 -3.533 0.778 1.00 0.00 C ATOM 648 C GLY A 47 10.410 -3.254 -0.706 1.00 0.00 C ATOM 649 O GLY A 47 10.224 -4.149 -1.531 1.00 0.00 O ATOM 0 H GLY A 47 10.124 -1.542 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.273 -3.715 1.196 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.703 -4.444 0.925 1.00 0.00 H new ATOM 653 N ILE A 48 10.725 -2.009 -1.048 1.00 0.00 N ATOM 654 CA ILE A 48 10.875 -1.615 -2.443 1.00 0.00 C ATOM 655 C ILE A 48 12.039 -0.645 -2.618 1.00 0.00 C ATOM 656 O ILE A 48 11.989 0.491 -2.149 1.00 0.00 O ATOM 657 CB ILE A 48 9.590 -0.960 -2.984 1.00 0.00 C ATOM 658 CG1 ILE A 48 8.411 -1.929 -2.870 1.00 0.00 C ATOM 659 CG2 ILE A 48 9.786 -0.524 -4.428 1.00 0.00 C ATOM 660 CD1 ILE A 48 7.262 -1.594 -3.795 1.00 0.00 C ATOM 0 H ILE A 48 10.881 -1.256 -0.378 1.00 0.00 H new ATOM 0 HA ILE A 48 11.075 -2.525 -3.008 1.00 0.00 H new ATOM 0 HB ILE A 48 9.370 -0.077 -2.385 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.759 -2.939 -3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.050 -1.930 -1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.870 -0.063 -4.796 1.00 0.00 H new ATOM 0 HG22 ILE A 48 10.602 0.196 -4.483 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.027 -1.393 -5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.462 -2.322 -3.660 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.888 -0.597 -3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.607 -1.621 -4.829 1.00 0.00 H new ATOM 672 N ASN A 49 13.085 -1.102 -3.298 1.00 0.00 N ATOM 673 CA ASN A 49 14.262 -0.274 -3.536 1.00 0.00 C ATOM 674 C ASN A 49 13.940 0.864 -4.501 1.00 0.00 C ATOM 675 O ASN A 49 12.867 0.897 -5.102 1.00 0.00 O ATOM 676 CB ASN A 49 15.404 -1.124 -4.096 1.00 0.00 C ATOM 677 CG ASN A 49 15.989 -2.062 -3.058 1.00 0.00 C ATOM 678 OD1 ASN A 49 17.116 -1.875 -2.600 1.00 0.00 O ATOM 679 ND2 ASN A 49 15.222 -3.079 -2.682 1.00 0.00 N ATOM 0 H ASN A 49 13.142 -2.040 -3.694 1.00 0.00 H new ATOM 0 HA ASN A 49 14.571 0.157 -2.584 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.039 -1.705 -4.943 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.189 -0.469 -4.474 1.00 0.00 H new ATOM 0 HD21 ASN A 49 15.561 -3.744 -1.987 1.00 0.00 H new ATOM 0 HD22 ASN A 49 14.294 -3.195 -3.088 1.00 0.00 H new ATOM 686 N ASN A 50 14.878 1.795 -4.643 1.00 0.00 N ATOM 687 CA ASN A 50 14.695 2.934 -5.535 1.00 0.00 C ATOM 688 C ASN A 50 15.201 2.615 -6.938 1.00 0.00 C ATOM 689 O ASN A 50 15.869 3.433 -7.569 1.00 0.00 O ATOM 690 CB ASN A 50 15.425 4.161 -4.984 1.00 0.00 C ATOM 691 CG ASN A 50 16.882 3.876 -4.674 1.00 0.00 C ATOM 692 OD1 ASN A 50 17.315 2.724 -4.679 1.00 0.00 O ATOM 693 ND2 ASN A 50 17.645 4.928 -4.401 1.00 0.00 N ATOM 0 H ASN A 50 15.772 1.783 -4.152 1.00 0.00 H new ATOM 0 HA ASN A 50 13.628 3.149 -5.594 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.363 4.973 -5.708 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.924 4.502 -4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 50 18.633 4.799 -4.184 1.00 0.00 H new ATOM 0 HD22 ASN A 50 17.243 5.865 -4.408 1.00 0.00 H new ATOM 700 N ALA A 51 14.877 1.419 -7.419 1.00 0.00 N ATOM 701 CA ALA A 51 15.297 0.992 -8.748 1.00 0.00 C ATOM 702 C ALA A 51 14.115 0.460 -9.552 1.00 0.00 C ATOM 703 O ALA A 51 13.949 0.795 -10.726 1.00 0.00 O ATOM 704 CB ALA A 51 16.385 -0.067 -8.644 1.00 0.00 C ATOM 0 H ALA A 51 14.325 0.729 -6.909 1.00 0.00 H new ATOM 0 HA ALA A 51 15.699 1.860 -9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.689 -0.376 -9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 51 17.244 0.345 -8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 51 16.002 -0.929 -8.098 1.00 0.00 H new ATOM 710 N ASP A 52 13.296 -0.369 -8.914 1.00 0.00 N ATOM 711 CA ASP A 52 12.129 -0.947 -9.570 1.00 0.00 C ATOM 712 C ASP A 52 10.956 0.028 -9.549 1.00 0.00 C ATOM 713 O ASP A 52 11.004 1.058 -8.877 1.00 0.00 O ATOM 714 CB ASP A 52 11.732 -2.258 -8.890 1.00 0.00 C ATOM 715 CG ASP A 52 10.714 -3.042 -9.695 1.00 0.00 C ATOM 716 OD1 ASP A 52 10.643 -2.835 -10.924 1.00 0.00 O ATOM 717 OD2 ASP A 52 9.988 -3.863 -9.095 1.00 0.00 O ATOM 0 H ASP A 52 13.419 -0.656 -7.943 1.00 0.00 H new ATOM 0 HA ASP A 52 12.390 -1.151 -10.608 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.621 -2.870 -8.740 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.323 -2.043 -7.903 1.00 0.00 H new ATOM 722 N ALA A 53 9.903 -0.305 -10.289 1.00 0.00 N ATOM 723 CA ALA A 53 8.717 0.541 -10.354 1.00 0.00 C ATOM 724 C ALA A 53 7.835 0.343 -9.126 1.00 0.00 C ATOM 725 O ALA A 53 8.062 -0.564 -8.325 1.00 0.00 O ATOM 726 CB ALA A 53 7.931 0.250 -11.624 1.00 0.00 C ATOM 0 H ALA A 53 9.847 -1.154 -10.852 1.00 0.00 H new ATOM 0 HA ALA A 53 9.042 1.581 -10.372 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.048 0.888 -11.660 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.558 0.448 -12.493 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.623 -0.796 -11.630 1.00 0.00 H new ATOM 732 N LEU A 54 6.828 1.198 -8.984 1.00 0.00 N ATOM 733 CA LEU A 54 5.910 1.118 -7.853 1.00 0.00 C ATOM 734 C LEU A 54 4.689 0.273 -8.201 1.00 0.00 C ATOM 735 O LEU A 54 4.218 0.258 -9.338 1.00 0.00 O ATOM 736 CB LEU A 54 5.471 2.520 -7.427 1.00 0.00 C ATOM 737 CG LEU A 54 6.592 3.535 -7.201 1.00 0.00 C ATOM 738 CD1 LEU A 54 6.032 4.948 -7.162 1.00 0.00 C ATOM 739 CD2 LEU A 54 7.344 3.221 -5.916 1.00 0.00 C ATOM 0 H LEU A 54 6.627 1.955 -9.638 1.00 0.00 H new ATOM 0 HA LEU A 54 6.434 0.641 -7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.798 2.915 -8.188 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.895 2.434 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 54 7.292 3.467 -8.034 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.844 5.657 -7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.539 5.170 -8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.311 5.031 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.138 3.953 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.655 3.261 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.778 2.223 -5.983 1.00 0.00 H new ATOM 751 N PRO A 55 4.161 -0.446 -7.199 1.00 0.00 N ATOM 752 CA PRO A 55 2.985 -1.304 -7.374 1.00 0.00 C ATOM 753 C PRO A 55 1.709 -0.500 -7.601 1.00 0.00 C ATOM 754 O PRO A 55 1.425 0.450 -6.871 1.00 0.00 O ATOM 755 CB PRO A 55 2.906 -2.071 -6.053 1.00 0.00 C ATOM 756 CG PRO A 55 3.585 -1.190 -5.062 1.00 0.00 C ATOM 757 CD PRO A 55 4.671 -0.476 -5.818 1.00 0.00 C ATOM 0 HA PRO A 55 3.076 -1.946 -8.250 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.872 -2.263 -5.768 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.402 -3.039 -6.127 1.00 0.00 H new ATOM 0 HG2 PRO A 55 2.882 -0.480 -4.625 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.000 -1.774 -4.241 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.838 0.529 -5.429 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.622 -1.005 -5.752 1.00 0.00 H new ATOM 765 N SER A 56 0.944 -0.886 -8.616 1.00 0.00 N ATOM 766 CA SER A 56 -0.301 -0.199 -8.940 1.00 0.00 C ATOM 767 C SER A 56 -1.024 0.241 -7.671 1.00 0.00 C ATOM 768 O SER A 56 -1.529 1.361 -7.587 1.00 0.00 O ATOM 769 CB SER A 56 -1.209 -1.109 -9.769 1.00 0.00 C ATOM 770 OG SER A 56 -0.527 -1.614 -10.904 1.00 0.00 O ATOM 0 H SER A 56 1.164 -1.671 -9.229 1.00 0.00 H new ATOM 0 HA SER A 56 -0.057 0.688 -9.524 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.559 -1.937 -9.153 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.091 -0.554 -10.088 1.00 0.00 H new ATOM 0 HG SER A 56 -1.129 -2.194 -11.416 1.00 0.00 H new ATOM 776 N LYS A 57 -1.071 -0.648 -6.685 1.00 0.00 N ATOM 777 CA LYS A 57 -1.731 -0.353 -5.419 1.00 0.00 C ATOM 778 C LYS A 57 -0.860 -0.775 -4.240 1.00 0.00 C ATOM 779 O LYS A 57 -0.152 -1.781 -4.307 1.00 0.00 O ATOM 780 CB LYS A 57 -3.084 -1.065 -5.348 1.00 0.00 C ATOM 781 CG LYS A 57 -4.230 -0.253 -5.925 1.00 0.00 C ATOM 782 CD LYS A 57 -4.273 -0.348 -7.441 1.00 0.00 C ATOM 783 CE LYS A 57 -5.624 0.085 -7.989 1.00 0.00 C ATOM 784 NZ LYS A 57 -6.609 -1.031 -7.981 1.00 0.00 N ATOM 0 H LYS A 57 -0.659 -1.580 -6.738 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.890 0.724 -5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.015 -2.012 -5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.306 -1.302 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.174 -0.608 -5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.124 0.790 -5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.489 0.277 -7.868 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.066 -1.373 -7.748 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.009 0.913 -7.394 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.502 0.454 -9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.517 -0.696 -8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.254 -1.812 -8.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.745 -1.367 -7.006 1.00 0.00 H new ATOM 798 N PHE A 58 -0.917 -0.002 -3.161 1.00 0.00 N ATOM 799 CA PHE A 58 -0.133 -0.296 -1.967 1.00 0.00 C ATOM 800 C PHE A 58 -0.990 -0.172 -0.710 1.00 0.00 C ATOM 801 O PHE A 58 -1.481 0.910 -0.384 1.00 0.00 O ATOM 802 CB PHE A 58 1.068 0.648 -1.875 1.00 0.00 C ATOM 803 CG PHE A 58 1.614 0.787 -0.483 1.00 0.00 C ATOM 804 CD1 PHE A 58 2.056 -0.324 0.217 1.00 0.00 C ATOM 805 CD2 PHE A 58 1.687 2.030 0.126 1.00 0.00 C ATOM 806 CE1 PHE A 58 2.559 -0.199 1.498 1.00 0.00 C ATOM 807 CE2 PHE A 58 2.190 2.161 1.407 1.00 0.00 C ATOM 808 CZ PHE A 58 2.627 1.046 2.093 1.00 0.00 C ATOM 0 H PHE A 58 -1.498 0.833 -3.089 1.00 0.00 H new ATOM 0 HA PHE A 58 0.226 -1.323 -2.041 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.858 0.284 -2.532 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.776 1.632 -2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.007 -1.299 -0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.347 2.906 -0.406 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.899 -1.073 2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.241 3.135 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 58 3.021 1.147 3.093 1.00 0.00 H new ATOM 818 N LEU A 59 -1.165 -1.286 -0.009 1.00 0.00 N ATOM 819 CA LEU A 59 -1.962 -1.304 1.212 1.00 0.00 C ATOM 820 C LEU A 59 -1.089 -1.595 2.429 1.00 0.00 C ATOM 821 O LEU A 59 -0.550 -2.693 2.571 1.00 0.00 O ATOM 822 CB LEU A 59 -3.072 -2.352 1.105 1.00 0.00 C ATOM 823 CG LEU A 59 -4.169 -2.064 0.079 1.00 0.00 C ATOM 824 CD1 LEU A 59 -4.927 -3.338 -0.262 1.00 0.00 C ATOM 825 CD2 LEU A 59 -5.122 -0.998 0.602 1.00 0.00 C ATOM 0 H LEU A 59 -0.766 -2.189 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.411 -0.319 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.616 -3.311 0.861 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.538 -2.461 2.085 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.700 -1.689 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.704 -3.115 -0.993 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.237 -4.072 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.384 -3.742 0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.896 -0.806 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.584 -1.345 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.569 -0.079 0.796 1.00 0.00 H new ATOM 837 N CYS A 60 -0.955 -0.605 3.304 1.00 0.00 N ATOM 838 CA CYS A 60 -0.149 -0.754 4.510 1.00 0.00 C ATOM 839 C CYS A 60 -0.695 -1.871 5.395 1.00 0.00 C ATOM 840 O CYS A 60 -1.908 -2.047 5.513 1.00 0.00 O ATOM 841 CB CYS A 60 -0.116 0.561 5.292 1.00 0.00 C ATOM 842 SG CYS A 60 -1.718 1.035 6.019 1.00 0.00 S ATOM 0 H CYS A 60 -1.394 0.310 3.201 1.00 0.00 H new ATOM 0 HA CYS A 60 0.865 -1.016 4.209 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.622 0.479 6.089 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.219 1.358 4.628 1.00 0.00 H new ATOM 847 N PHE A 61 0.209 -2.622 6.015 1.00 0.00 N ATOM 848 CA PHE A 61 -0.181 -3.723 6.889 1.00 0.00 C ATOM 849 C PHE A 61 -1.477 -3.398 7.626 1.00 0.00 C ATOM 850 O PHE A 61 -2.401 -4.211 7.666 1.00 0.00 O ATOM 851 CB PHE A 61 0.931 -4.021 7.896 1.00 0.00 C ATOM 852 CG PHE A 61 2.258 -4.313 7.254 1.00 0.00 C ATOM 853 CD1 PHE A 61 2.441 -5.463 6.502 1.00 0.00 C ATOM 854 CD2 PHE A 61 3.322 -3.438 7.403 1.00 0.00 C ATOM 855 CE1 PHE A 61 3.661 -5.734 5.912 1.00 0.00 C ATOM 856 CE2 PHE A 61 4.544 -3.704 6.815 1.00 0.00 C ATOM 857 CZ PHE A 61 4.713 -4.853 6.067 1.00 0.00 C ATOM 0 H PHE A 61 1.217 -2.489 5.929 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.347 -4.605 6.270 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.041 -3.169 8.567 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.637 -4.873 8.508 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.621 -6.155 6.376 1.00 0.00 H new ATOM 0 HD2 PHE A 61 3.195 -2.538 7.986 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.792 -6.634 5.330 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.366 -3.014 6.940 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.666 -5.062 5.604 1.00 0.00 H new ATOM 867 N ARG A 62 -1.536 -2.206 8.210 1.00 0.00 N ATOM 868 CA ARG A 62 -2.717 -1.774 8.948 1.00 0.00 C ATOM 869 C ARG A 62 -3.982 -1.990 8.123 1.00 0.00 C ATOM 870 O ARG A 62 -4.889 -2.714 8.536 1.00 0.00 O ATOM 871 CB ARG A 62 -2.592 -0.299 9.334 1.00 0.00 C ATOM 872 CG ARG A 62 -1.929 -0.077 10.684 1.00 0.00 C ATOM 873 CD ARG A 62 -2.838 -0.497 11.827 1.00 0.00 C ATOM 874 NE ARG A 62 -2.293 -0.118 13.128 1.00 0.00 N ATOM 875 CZ ARG A 62 -3.023 -0.037 14.235 1.00 0.00 C ATOM 876 NH1 ARG A 62 -4.320 -0.309 14.200 1.00 0.00 N ATOM 877 NH2 ARG A 62 -2.454 0.315 15.382 1.00 0.00 N ATOM 0 H ARG A 62 -0.780 -1.522 8.187 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.788 -2.375 9.855 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.018 0.221 8.567 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.585 0.150 9.348 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.999 -0.643 10.731 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.668 0.976 10.793 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.818 -0.039 11.697 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.984 -1.577 11.796 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.298 0.096 13.190 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.760 -0.581 13.321 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.878 -0.246 15.052 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.456 0.523 15.413 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.015 0.377 16.232 1.00 0.00 H new ATOM 891 N CYS A 63 -4.037 -1.356 6.957 1.00 0.00 N ATOM 892 CA CYS A 63 -5.191 -1.477 6.074 1.00 0.00 C ATOM 893 C CYS A 63 -5.654 -2.928 5.980 1.00 0.00 C ATOM 894 O CYS A 63 -6.752 -3.269 6.420 1.00 0.00 O ATOM 895 CB CYS A 63 -4.850 -0.947 4.679 1.00 0.00 C ATOM 896 SG CYS A 63 -5.176 0.832 4.460 1.00 0.00 S ATOM 0 H CYS A 63 -3.295 -0.753 6.601 1.00 0.00 H new ATOM 0 HA CYS A 63 -6.002 -0.882 6.493 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -3.797 -1.140 4.476 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -5.425 -1.505 3.940 1.00 0.00 H new ATOM 901 N ILE A 64 -4.810 -3.776 5.403 1.00 0.00 N ATOM 902 CA ILE A 64 -5.132 -5.190 5.253 1.00 0.00 C ATOM 903 C ILE A 64 -5.933 -5.701 6.445 1.00 0.00 C ATOM 904 O ILE A 64 -6.805 -6.557 6.298 1.00 0.00 O ATOM 905 CB ILE A 64 -3.860 -6.044 5.099 1.00 0.00 C ATOM 906 CG1 ILE A 64 -2.984 -5.495 3.971 1.00 0.00 C ATOM 907 CG2 ILE A 64 -4.226 -7.497 4.834 1.00 0.00 C ATOM 908 CD1 ILE A 64 -1.990 -4.451 4.431 1.00 0.00 C ATOM 0 H ILE A 64 -3.898 -3.509 5.032 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.733 -5.282 4.348 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.294 -5.996 6.029 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.443 -6.320 3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.624 -5.062 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.316 -8.088 4.727 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.813 -7.882 5.668 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.811 -7.563 3.917 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.403 -4.107 3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.524 -3.608 4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.325 -4.886 5.177 1.00 0.00 H new ATOM 920 N GLU A 65 -5.632 -5.169 7.625 1.00 0.00 N ATOM 921 CA GLU A 65 -6.326 -5.571 8.843 1.00 0.00 C ATOM 922 C GLU A 65 -7.580 -4.728 9.059 1.00 0.00 C ATOM 923 O GLU A 65 -8.614 -5.234 9.498 1.00 0.00 O ATOM 924 CB GLU A 65 -5.397 -5.442 10.052 1.00 0.00 C ATOM 925 CG GLU A 65 -4.600 -6.702 10.345 1.00 0.00 C ATOM 926 CD GLU A 65 -3.847 -6.624 11.658 1.00 0.00 C ATOM 927 OE1 GLU A 65 -4.491 -6.375 12.698 1.00 0.00 O ATOM 928 OE2 GLU A 65 -2.612 -6.813 11.646 1.00 0.00 O ATOM 0 H GLU A 65 -4.913 -4.459 7.764 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.625 -6.613 8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.706 -4.616 9.882 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.990 -5.185 10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.275 -7.557 10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.892 -6.876 9.535 1.00 0.00 H new ATOM 935 N LEU A 66 -7.480 -3.441 8.748 1.00 0.00 N ATOM 936 CA LEU A 66 -8.605 -2.526 8.908 1.00 0.00 C ATOM 937 C LEU A 66 -9.786 -2.958 8.044 1.00 0.00 C ATOM 938 O LEU A 66 -10.932 -2.948 8.492 1.00 0.00 O ATOM 939 CB LEU A 66 -8.186 -1.101 8.542 1.00 0.00 C ATOM 940 CG LEU A 66 -9.315 -0.076 8.433 1.00 0.00 C ATOM 941 CD1 LEU A 66 -9.782 0.352 9.816 1.00 0.00 C ATOM 942 CD2 LEU A 66 -8.863 1.131 7.624 1.00 0.00 C ATOM 0 H LEU A 66 -6.632 -3.007 8.384 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.914 -2.550 9.953 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.474 -0.750 9.289 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.658 -1.133 7.589 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.154 -0.541 7.916 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.586 1.082 9.719 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -10.146 -0.518 10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.949 0.799 10.359 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -9.679 1.850 7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.008 1.597 8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.578 0.811 6.622 1.00 0.00 H new ATOM 954 N SER A 67 -9.497 -3.340 6.804 1.00 0.00 N ATOM 955 CA SER A 67 -10.534 -3.775 5.876 1.00 0.00 C ATOM 956 C SER A 67 -11.509 -4.729 6.560 1.00 0.00 C ATOM 957 O SER A 67 -11.101 -5.674 7.233 1.00 0.00 O ATOM 958 CB SER A 67 -9.906 -4.455 4.658 1.00 0.00 C ATOM 959 OG SER A 67 -10.878 -4.708 3.658 1.00 0.00 O ATOM 0 H SER A 67 -8.553 -3.357 6.419 1.00 0.00 H new ATOM 0 HA SER A 67 -11.085 -2.894 5.547 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.117 -3.823 4.251 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.439 -5.392 4.961 1.00 0.00 H new ATOM 0 HG SER A 67 -10.451 -5.141 2.889 1.00 0.00 H new ATOM 965 N GLY A 68 -12.801 -4.474 6.381 1.00 0.00 N ATOM 966 CA GLY A 68 -13.815 -5.317 6.986 1.00 0.00 C ATOM 967 C GLY A 68 -15.047 -5.459 6.115 1.00 0.00 C ATOM 968 O GLY A 68 -14.966 -5.484 4.887 1.00 0.00 O ATOM 0 H GLY A 68 -13.164 -3.698 5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.395 -6.304 7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -14.102 -4.899 7.951 1.00 0.00 H new ATOM 972 N PRO A 69 -16.222 -5.555 6.756 1.00 0.00 N ATOM 973 CA PRO A 69 -17.499 -5.698 6.050 1.00 0.00 C ATOM 974 C PRO A 69 -17.897 -4.426 5.309 1.00 0.00 C ATOM 975 O PRO A 69 -18.598 -3.573 5.852 1.00 0.00 O ATOM 976 CB PRO A 69 -18.494 -5.994 7.175 1.00 0.00 C ATOM 977 CG PRO A 69 -17.881 -5.393 8.392 1.00 0.00 C ATOM 978 CD PRO A 69 -16.394 -5.532 8.218 1.00 0.00 C ATOM 0 HA PRO A 69 -17.457 -6.472 5.284 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -19.470 -5.556 6.966 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -18.646 -7.066 7.297 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -18.166 -4.346 8.496 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -18.218 -5.906 9.293 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -15.857 -4.700 8.673 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -16.019 -6.445 8.681 1.00 0.00 H new ATOM 986 N SER A 70 -17.445 -4.307 4.064 1.00 0.00 N ATOM 987 CA SER A 70 -17.751 -3.137 3.249 1.00 0.00 C ATOM 988 C SER A 70 -17.627 -3.462 1.764 1.00 0.00 C ATOM 989 O SER A 70 -17.201 -4.555 1.390 1.00 0.00 O ATOM 990 CB SER A 70 -16.818 -1.979 3.609 1.00 0.00 C ATOM 991 OG SER A 70 -16.835 -1.726 5.004 1.00 0.00 O ATOM 0 H SER A 70 -16.866 -5.006 3.598 1.00 0.00 H new ATOM 0 HA SER A 70 -18.780 -2.842 3.454 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.802 -2.214 3.291 1.00 0.00 H new ATOM 0 HB3 SER A 70 -17.122 -1.082 3.070 1.00 0.00 H new ATOM 0 HG SER A 70 -17.653 -2.098 5.394 1.00 0.00 H new ATOM 997 N SER A 71 -18.002 -2.505 0.921 1.00 0.00 N ATOM 998 CA SER A 71 -17.936 -2.690 -0.524 1.00 0.00 C ATOM 999 C SER A 71 -17.405 -1.434 -1.208 1.00 0.00 C ATOM 1000 O SER A 71 -17.330 -0.367 -0.601 1.00 0.00 O ATOM 1001 CB SER A 71 -19.318 -3.041 -1.078 1.00 0.00 C ATOM 1002 OG SER A 71 -19.810 -4.238 -0.501 1.00 0.00 O ATOM 0 H SER A 71 -18.355 -1.594 1.214 1.00 0.00 H new ATOM 0 HA SER A 71 -17.251 -3.512 -0.730 1.00 0.00 H new ATOM 0 HB2 SER A 71 -20.012 -2.225 -0.877 1.00 0.00 H new ATOM 0 HB3 SER A 71 -19.262 -3.152 -2.161 1.00 0.00 H new ATOM 0 HG SER A 71 -20.695 -4.439 -0.870 1.00 0.00 H new ATOM 1008 N GLY A 72 -17.038 -1.570 -2.479 1.00 0.00 N ATOM 1009 CA GLY A 72 -16.518 -0.440 -3.226 1.00 0.00 C ATOM 1010 C GLY A 72 -15.090 -0.656 -3.686 1.00 0.00 C ATOM 1011 O GLY A 72 -14.352 0.318 -3.828 1.00 0.00 O ATOM 0 H GLY A 72 -17.092 -2.443 -3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -17.152 -0.259 -4.094 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.565 0.455 -2.605 1.00 0.00 H new TER 1015 GLY A 72 HETATM 1016 ZN ZN A 201 10.865 4.176 7.230 1.00 0.00 ZN HETATM 1017 ZN ZN A 401 -3.184 2.112 4.567 1.00 0.00 ZN