USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 433 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ 141:sc= -0.349 (180deg=-0.477) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 7 SER OG : rot 180:sc= -0.153 USER MOD Single : A 8 SER OG : rot 120:sc= -0.773 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0134 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc=-0.00356 X(o=-0.0036,f=-0.0036) USER MOD Single : A 38 GLN : amide:sc= -0.0145 K(o=-0.014,f=-0.77) USER MOD Single : A 39 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.29) USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 GLN :FLIP amide:sc= -0.244 F(o=-0.84,f=-0.24) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc=-0.00193 X(o=-0.0019,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.31 K(o=-0.31,f=-2.8!) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= -0.0336 (180deg=-0.218) USER MOD Single : A 62 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.0061) USER MOD Single : A 63 HIS : no HD1:sc= -0.377 X(o=-0.38,f=-0.18) USER MOD Single : A 64 HIS : no HE2:sc= 0.179 K(o=0.18,f=-1.7) USER MOD Single : A 65 HIS : no HD1:sc= -0.461 X(o=-0.46,f=-0.85) USER MOD Single : A 66 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.04) USER MOD Single : A 67 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 19.364 0.289 -9.799 1.00 0.00 N ATOM 2 CA VAL A 1 18.319 0.129 -8.756 1.00 0.00 C ATOM 3 C VAL A 1 18.335 1.301 -7.779 1.00 0.00 C ATOM 4 O VAL A 1 19.392 1.862 -7.489 1.00 0.00 O ATOM 5 CB VAL A 1 18.511 -1.182 -7.969 1.00 0.00 C ATOM 6 CG1 VAL A 1 18.204 -2.385 -8.848 1.00 0.00 C ATOM 7 CG2 VAL A 1 19.924 -1.267 -7.410 1.00 0.00 C ATOM 0 H1 VAL A 1 19.795 -0.635 -10.003 1.00 0.00 H new ATOM 0 H2 VAL A 1 18.934 0.669 -10.666 1.00 0.00 H new ATOM 0 H3 VAL A 1 20.096 0.945 -9.459 1.00 0.00 H new ATOM 0 HA VAL A 1 17.358 0.100 -9.270 1.00 0.00 H new ATOM 0 HB VAL A 1 17.813 -1.187 -7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 1 18.346 -3.301 -8.274 1.00 0.00 H new ATOM 0 HG12 VAL A 1 17.172 -2.329 -9.194 1.00 0.00 H new ATOM 0 HG13 VAL A 1 18.875 -2.388 -9.707 1.00 0.00 H new ATOM 0 HG21 VAL A 1 20.041 -2.199 -6.857 1.00 0.00 H new ATOM 0 HG22 VAL A 1 20.642 -1.238 -8.230 1.00 0.00 H new ATOM 0 HG23 VAL A 1 20.102 -0.424 -6.742 1.00 0.00 H new ATOM 17 N PRO A 2 17.159 1.691 -7.252 1.00 0.00 N ATOM 18 CA PRO A 2 17.050 2.803 -6.302 1.00 0.00 C ATOM 19 C PRO A 2 17.644 2.458 -4.940 1.00 0.00 C ATOM 20 O PRO A 2 18.598 1.685 -4.851 1.00 0.00 O ATOM 21 CB PRO A 2 15.540 3.028 -6.192 1.00 0.00 C ATOM 22 CG PRO A 2 14.935 1.710 -6.524 1.00 0.00 C ATOM 23 CD PRO A 2 15.846 1.079 -7.541 1.00 0.00 C ATOM 0 HA PRO A 2 17.600 3.683 -6.635 1.00 0.00 H new ATOM 0 HB2 PRO A 2 15.260 3.351 -5.189 1.00 0.00 H new ATOM 0 HB3 PRO A 2 15.204 3.803 -6.881 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.850 1.085 -5.635 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.929 1.833 -6.925 1.00 0.00 H new ATOM 0 HD2 PRO A 2 15.876 -0.005 -7.435 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.519 1.291 -8.559 1.00 0.00 H new ATOM 31 N CYS A 3 17.073 3.037 -3.884 1.00 0.00 N ATOM 32 CA CYS A 3 17.540 2.798 -2.519 1.00 0.00 C ATOM 33 C CYS A 3 18.936 3.377 -2.304 1.00 0.00 C ATOM 34 O CYS A 3 19.086 4.466 -1.749 1.00 0.00 O ATOM 35 CB CYS A 3 17.536 1.299 -2.202 1.00 0.00 C ATOM 36 SG CYS A 3 17.454 0.916 -0.423 1.00 0.00 S ATOM 0 H CYS A 3 16.282 3.678 -3.949 1.00 0.00 H new ATOM 0 HA CYS A 3 16.853 3.303 -1.840 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.686 0.835 -2.702 1.00 0.00 H new ATOM 0 HB3 CYS A 3 18.436 0.848 -2.619 1.00 0.00 H new ATOM 41 N ASP A 4 19.956 2.643 -2.742 1.00 0.00 N ATOM 42 CA ASP A 4 21.339 3.086 -2.591 1.00 0.00 C ATOM 43 C ASP A 4 22.190 2.632 -3.766 1.00 0.00 C ATOM 44 O ASP A 4 23.417 2.741 -3.729 1.00 0.00 O ATOM 45 CB ASP A 4 21.942 2.524 -1.308 1.00 0.00 C ATOM 46 CG ASP A 4 22.625 3.588 -0.471 1.00 0.00 C ATOM 47 OD1 ASP A 4 21.916 4.456 0.081 1.00 0.00 O ATOM 48 OD2 ASP A 4 23.870 3.555 -0.369 1.00 0.00 O ATOM 0 H ASP A 4 19.851 1.740 -3.204 1.00 0.00 H new ATOM 0 HA ASP A 4 21.330 4.175 -2.552 1.00 0.00 H new ATOM 0 HB2 ASP A 4 21.157 2.051 -0.718 1.00 0.00 H new ATOM 0 HB3 ASP A 4 22.663 1.746 -1.560 1.00 0.00 H new ATOM 53 N ASN A 5 21.540 2.100 -4.794 1.00 0.00 N ATOM 54 CA ASN A 5 22.251 1.605 -5.964 1.00 0.00 C ATOM 55 C ASN A 5 23.164 0.449 -5.566 1.00 0.00 C ATOM 56 O ASN A 5 23.171 0.026 -4.411 1.00 0.00 O ATOM 57 CB ASN A 5 23.067 2.726 -6.615 1.00 0.00 C ATOM 58 CG ASN A 5 22.233 3.585 -7.546 1.00 0.00 C ATOM 59 OD1 ASN A 5 21.786 3.127 -8.597 1.00 0.00 O ATOM 60 ND2 ASN A 5 22.023 4.840 -7.164 1.00 0.00 N ATOM 0 H ASN A 5 20.526 2.001 -4.841 1.00 0.00 H new ATOM 0 HA ASN A 5 21.521 1.248 -6.690 1.00 0.00 H new ATOM 0 HB2 ASN A 5 23.501 3.354 -5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 5 23.896 2.291 -7.173 1.00 0.00 H new ATOM 0 HD21 ASN A 5 21.472 5.466 -7.751 1.00 0.00 H new ATOM 0 HD22 ASN A 5 22.413 5.177 -6.284 1.00 0.00 H new ATOM 67 N VAL A 6 23.926 -0.056 -6.528 1.00 0.00 N ATOM 68 CA VAL A 6 24.846 -1.167 -6.289 1.00 0.00 C ATOM 69 C VAL A 6 24.092 -2.418 -5.836 1.00 0.00 C ATOM 70 O VAL A 6 23.816 -3.309 -6.641 1.00 0.00 O ATOM 71 CB VAL A 6 25.924 -0.796 -5.247 1.00 0.00 C ATOM 72 CG1 VAL A 6 26.798 -1.998 -4.918 1.00 0.00 C ATOM 73 CG2 VAL A 6 26.771 0.362 -5.751 1.00 0.00 C ATOM 0 H VAL A 6 23.926 0.287 -7.488 1.00 0.00 H new ATOM 0 HA VAL A 6 25.343 -1.380 -7.235 1.00 0.00 H new ATOM 0 HB VAL A 6 25.422 -0.485 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.549 -1.711 -4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.179 -2.798 -4.512 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.293 -2.347 -5.824 1.00 0.00 H new ATOM 0 HG21 VAL A 6 27.526 0.612 -5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 6 27.261 0.076 -6.682 1.00 0.00 H new ATOM 0 HG23 VAL A 6 26.134 1.229 -5.927 1.00 0.00 H new ATOM 83 N SER A 7 23.756 -2.481 -4.550 1.00 0.00 N ATOM 84 CA SER A 7 23.030 -3.621 -4.001 1.00 0.00 C ATOM 85 C SER A 7 21.720 -3.167 -3.365 1.00 0.00 C ATOM 86 O SER A 7 21.703 -2.686 -2.231 1.00 0.00 O ATOM 87 CB SER A 7 23.887 -4.351 -2.964 1.00 0.00 C ATOM 88 OG SER A 7 25.121 -4.767 -3.523 1.00 0.00 O ATOM 0 H SER A 7 23.976 -1.754 -3.869 1.00 0.00 H new ATOM 0 HA SER A 7 22.804 -4.306 -4.818 1.00 0.00 H new ATOM 0 HB2 SER A 7 24.072 -3.694 -2.114 1.00 0.00 H new ATOM 0 HB3 SER A 7 23.345 -5.218 -2.585 1.00 0.00 H new ATOM 0 HG SER A 7 25.650 -5.229 -2.840 1.00 0.00 H new ATOM 94 N SER A 8 20.627 -3.319 -4.103 1.00 0.00 N ATOM 95 CA SER A 8 19.313 -2.921 -3.613 1.00 0.00 C ATOM 96 C SER A 8 18.215 -3.773 -4.238 1.00 0.00 C ATOM 97 O SER A 8 18.492 -4.720 -4.975 1.00 0.00 O ATOM 98 CB SER A 8 19.062 -1.441 -3.914 1.00 0.00 C ATOM 99 OG SER A 8 20.039 -0.622 -3.296 1.00 0.00 O ATOM 0 H SER A 8 20.625 -3.715 -5.043 1.00 0.00 H new ATOM 0 HA SER A 8 19.294 -3.075 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 8 19.076 -1.278 -4.992 1.00 0.00 H new ATOM 0 HB3 SER A 8 18.070 -1.158 -3.562 1.00 0.00 H new ATOM 0 HG SER A 8 20.521 -0.113 -3.981 1.00 0.00 H new ATOM 105 N CYS A 9 16.967 -3.427 -3.940 1.00 0.00 N ATOM 106 CA CYS A 9 15.822 -4.157 -4.469 1.00 0.00 C ATOM 107 C CYS A 9 15.454 -3.645 -5.860 1.00 0.00 C ATOM 108 O CYS A 9 15.834 -2.537 -6.241 1.00 0.00 O ATOM 109 CB CYS A 9 14.629 -4.011 -3.524 1.00 0.00 C ATOM 110 SG CYS A 9 14.398 -5.423 -2.396 1.00 0.00 S ATOM 0 H CYS A 9 16.723 -2.644 -3.334 1.00 0.00 H new ATOM 0 HA CYS A 9 16.088 -5.211 -4.549 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.756 -3.104 -2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 9 13.723 -3.881 -4.116 1.00 0.00 H new ATOM 115 N PRO A 10 14.714 -4.448 -6.648 1.00 0.00 N ATOM 116 CA PRO A 10 14.307 -4.077 -8.000 1.00 0.00 C ATOM 117 C PRO A 10 13.046 -3.219 -8.006 1.00 0.00 C ATOM 118 O PRO A 10 12.474 -2.934 -6.954 1.00 0.00 O ATOM 119 CB PRO A 10 14.035 -5.429 -8.683 1.00 0.00 C ATOM 120 CG PRO A 10 14.243 -6.483 -7.635 1.00 0.00 C ATOM 121 CD PRO A 10 14.224 -5.784 -6.305 1.00 0.00 C ATOM 0 HA PRO A 10 15.067 -3.479 -8.502 1.00 0.00 H new ATOM 0 HB2 PRO A 10 13.019 -5.468 -9.077 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.709 -5.581 -9.526 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.459 -7.238 -7.686 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.192 -6.998 -7.788 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.222 -5.752 -5.877 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.867 -6.278 -5.577 1.00 0.00 H new ATOM 129 N SER A 11 12.623 -2.806 -9.197 1.00 0.00 N ATOM 130 CA SER A 11 11.432 -1.975 -9.340 1.00 0.00 C ATOM 131 C SER A 11 10.163 -2.785 -9.090 1.00 0.00 C ATOM 132 O SER A 11 9.520 -3.259 -10.027 1.00 0.00 O ATOM 133 CB SER A 11 11.388 -1.348 -10.735 1.00 0.00 C ATOM 134 OG SER A 11 10.114 -0.789 -11.003 1.00 0.00 O ATOM 0 H SER A 11 13.087 -3.033 -10.077 1.00 0.00 H new ATOM 0 HA SER A 11 11.483 -1.182 -8.594 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.152 -0.574 -10.814 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.622 -2.104 -11.484 1.00 0.00 H new ATOM 0 HG SER A 11 10.112 -0.393 -11.900 1.00 0.00 H new ATOM 140 N SER A 12 9.810 -2.935 -7.816 1.00 0.00 N ATOM 141 CA SER A 12 8.618 -3.684 -7.427 1.00 0.00 C ATOM 142 C SER A 12 8.398 -3.603 -5.921 1.00 0.00 C ATOM 143 O SER A 12 7.364 -3.121 -5.457 1.00 0.00 O ATOM 144 CB SER A 12 8.743 -5.148 -7.855 1.00 0.00 C ATOM 145 OG SER A 12 7.675 -5.923 -7.339 1.00 0.00 O ATOM 0 H SER A 12 10.335 -2.546 -7.033 1.00 0.00 H new ATOM 0 HA SER A 12 7.760 -3.239 -7.931 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.751 -5.213 -8.943 1.00 0.00 H new ATOM 0 HB3 SER A 12 9.693 -5.553 -7.505 1.00 0.00 H new ATOM 0 HG SER A 12 7.777 -6.854 -7.628 1.00 0.00 H new ATOM 151 N ASP A 13 9.380 -4.081 -5.162 1.00 0.00 N ATOM 152 CA ASP A 13 9.301 -4.068 -3.706 1.00 0.00 C ATOM 153 C ASP A 13 9.866 -2.768 -3.142 1.00 0.00 C ATOM 154 O ASP A 13 10.247 -1.868 -3.890 1.00 0.00 O ATOM 155 CB ASP A 13 10.059 -5.263 -3.123 1.00 0.00 C ATOM 156 CG ASP A 13 11.314 -5.598 -3.907 1.00 0.00 C ATOM 157 OD1 ASP A 13 11.890 -4.679 -4.527 1.00 0.00 O ATOM 158 OD2 ASP A 13 11.719 -6.779 -3.900 1.00 0.00 O ATOM 0 H ASP A 13 10.241 -4.483 -5.533 1.00 0.00 H new ATOM 0 HA ASP A 13 8.251 -4.139 -3.423 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.328 -5.048 -2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.402 -6.133 -3.108 1.00 0.00 H new ATOM 163 N THR A 14 9.913 -2.675 -1.816 1.00 0.00 N ATOM 164 CA THR A 14 10.428 -1.485 -1.149 1.00 0.00 C ATOM 165 C THR A 14 11.558 -1.835 -0.186 1.00 0.00 C ATOM 166 O THR A 14 11.490 -2.836 0.532 1.00 0.00 O ATOM 167 CB THR A 14 9.319 -0.746 -0.376 1.00 0.00 C ATOM 168 OG1 THR A 14 9.898 0.079 0.642 1.00 0.00 O ATOM 169 CG2 THR A 14 8.346 -1.732 0.256 1.00 0.00 C ATOM 0 H THR A 14 9.600 -3.411 -1.182 1.00 0.00 H new ATOM 0 HA THR A 14 10.812 -0.830 -1.931 1.00 0.00 H new ATOM 0 HB THR A 14 8.770 -0.122 -1.082 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.187 0.546 1.128 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.573 -1.185 0.796 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.884 -2.338 -0.524 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.883 -2.380 0.949 1.00 0.00 H new ATOM 177 N CYS A 15 12.597 -1.004 -0.175 1.00 0.00 N ATOM 178 CA CYS A 15 13.743 -1.221 0.699 1.00 0.00 C ATOM 179 C CYS A 15 13.626 -0.380 1.967 1.00 0.00 C ATOM 180 O CYS A 15 12.968 0.660 1.974 1.00 0.00 O ATOM 181 CB CYS A 15 15.041 -0.880 -0.035 1.00 0.00 C ATOM 182 SG CYS A 15 15.464 0.891 -0.022 1.00 0.00 S ATOM 0 H CYS A 15 12.667 -0.173 -0.763 1.00 0.00 H new ATOM 0 HA CYS A 15 13.759 -2.273 0.982 1.00 0.00 H new ATOM 0 HB2 CYS A 15 15.859 -1.441 0.418 1.00 0.00 H new ATOM 0 HB3 CYS A 15 14.959 -1.215 -1.069 1.00 0.00 H new ATOM 187 N CYS A 16 14.266 -0.842 3.035 1.00 0.00 N ATOM 188 CA CYS A 16 14.234 -0.134 4.310 1.00 0.00 C ATOM 189 C CYS A 16 15.598 -0.172 4.991 1.00 0.00 C ATOM 190 O CYS A 16 16.355 -1.132 4.836 1.00 0.00 O ATOM 191 CB CYS A 16 13.176 -0.746 5.230 1.00 0.00 C ATOM 192 SG CYS A 16 12.517 0.402 6.462 1.00 0.00 S ATOM 0 H CYS A 16 14.813 -1.703 3.044 1.00 0.00 H new ATOM 0 HA CYS A 16 13.977 0.906 4.111 1.00 0.00 H new ATOM 0 HB2 CYS A 16 12.353 -1.121 4.621 1.00 0.00 H new ATOM 0 HB3 CYS A 16 13.609 -1.604 5.744 1.00 0.00 H new ATOM 0 HG CYS A 16 11.628 -0.206 7.190 1.00 0.00 H new ATOM 198 N GLN A 17 15.904 0.876 5.747 1.00 0.00 N ATOM 199 CA GLN A 17 17.175 0.960 6.456 1.00 0.00 C ATOM 200 C GLN A 17 17.142 0.109 7.722 1.00 0.00 C ATOM 201 O GLN A 17 16.087 -0.383 8.123 1.00 0.00 O ATOM 202 CB GLN A 17 17.492 2.413 6.812 1.00 0.00 C ATOM 203 CG GLN A 17 18.934 2.806 6.533 1.00 0.00 C ATOM 204 CD GLN A 17 19.417 3.926 7.432 1.00 0.00 C ATOM 205 OE1 GLN A 17 20.455 3.810 8.083 1.00 0.00 O ATOM 206 NE2 GLN A 17 18.665 5.020 7.472 1.00 0.00 N ATOM 0 H GLN A 17 15.290 1.679 5.885 1.00 0.00 H new ATOM 0 HA GLN A 17 17.957 0.578 5.799 1.00 0.00 H new ATOM 0 HB2 GLN A 17 16.829 3.070 6.248 1.00 0.00 H new ATOM 0 HB3 GLN A 17 17.278 2.575 7.868 1.00 0.00 H new ATOM 0 HG2 GLN A 17 19.576 1.935 6.666 1.00 0.00 H new ATOM 0 HG3 GLN A 17 19.028 3.115 5.492 1.00 0.00 H new ATOM 0 HE21 GLN A 17 17.812 5.073 6.915 1.00 0.00 H new ATOM 0 HE22 GLN A 17 18.941 5.807 8.059 1.00 0.00 H new ATOM 215 N LEU A 18 18.304 -0.065 8.345 1.00 0.00 N ATOM 216 CA LEU A 18 18.405 -0.860 9.565 1.00 0.00 C ATOM 217 C LEU A 18 18.710 0.023 10.769 1.00 0.00 C ATOM 218 O LEU A 18 18.759 -0.456 11.903 1.00 0.00 O ATOM 219 CB LEU A 18 19.489 -1.930 9.412 1.00 0.00 C ATOM 220 CG LEU A 18 18.993 -3.307 8.964 1.00 0.00 C ATOM 221 CD1 LEU A 18 18.113 -3.934 10.035 1.00 0.00 C ATOM 222 CD2 LEU A 18 18.239 -3.204 7.645 1.00 0.00 C ATOM 0 H LEU A 18 19.187 0.333 8.026 1.00 0.00 H new ATOM 0 HA LEU A 18 17.444 -1.347 9.732 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.226 -1.576 8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 18 20.004 -2.041 10.366 1.00 0.00 H new ATOM 0 HG LEU A 18 19.860 -3.949 8.813 1.00 0.00 H new ATOM 0 HD11 LEU A 18 17.770 -4.912 9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 18 18.685 -4.048 10.956 1.00 0.00 H new ATOM 0 HD13 LEU A 18 17.252 -3.292 10.220 1.00 0.00 H new ATOM 0 HD21 LEU A 18 17.895 -4.194 7.344 1.00 0.00 H new ATOM 0 HD22 LEU A 18 17.381 -2.543 7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.901 -2.801 6.878 1.00 0.00 H new ATOM 234 N THR A 19 18.914 1.313 10.517 1.00 0.00 N ATOM 235 CA THR A 19 19.216 2.266 11.581 1.00 0.00 C ATOM 236 C THR A 19 20.432 1.823 12.388 1.00 0.00 C ATOM 237 O THR A 19 20.499 2.036 13.599 1.00 0.00 O ATOM 238 CB THR A 19 18.017 2.443 12.533 1.00 0.00 C ATOM 239 OG1 THR A 19 16.789 2.259 11.817 1.00 0.00 O ATOM 240 CG2 THR A 19 18.032 3.822 13.173 1.00 0.00 C ATOM 0 H THR A 19 18.876 1.723 9.584 1.00 0.00 H new ATOM 0 HA THR A 19 19.432 3.220 11.100 1.00 0.00 H new ATOM 0 HB THR A 19 18.095 1.693 13.320 1.00 0.00 H new ATOM 0 HG1 THR A 19 16.033 2.372 12.430 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.176 3.923 13.840 1.00 0.00 H new ATOM 0 HG22 THR A 19 18.953 3.949 13.742 1.00 0.00 H new ATOM 0 HG23 THR A 19 17.978 4.584 12.396 1.00 0.00 H new ATOM 248 N SER A 20 21.392 1.203 11.709 1.00 0.00 N ATOM 249 CA SER A 20 22.607 0.727 12.361 1.00 0.00 C ATOM 250 C SER A 20 23.787 0.751 11.395 1.00 0.00 C ATOM 251 O SER A 20 24.937 0.896 11.809 1.00 0.00 O ATOM 252 CB SER A 20 22.401 -0.691 12.898 1.00 0.00 C ATOM 253 OG SER A 20 22.581 -1.654 11.875 1.00 0.00 O ATOM 0 H SER A 20 21.352 1.018 10.707 1.00 0.00 H new ATOM 0 HA SER A 20 22.828 1.395 13.194 1.00 0.00 H new ATOM 0 HB2 SER A 20 23.104 -0.882 13.709 1.00 0.00 H new ATOM 0 HB3 SER A 20 21.399 -0.783 13.316 1.00 0.00 H new ATOM 0 HG SER A 20 22.446 -2.552 12.244 1.00 0.00 H new ATOM 259 N GLY A 21 23.493 0.608 10.106 1.00 0.00 N ATOM 260 CA GLY A 21 24.540 0.614 9.102 1.00 0.00 C ATOM 261 C GLY A 21 24.299 -0.404 8.004 1.00 0.00 C ATOM 262 O GLY A 21 25.012 -0.427 7.001 1.00 0.00 O ATOM 0 H GLY A 21 22.549 0.488 9.740 1.00 0.00 H new ATOM 0 HA2 GLY A 21 24.611 1.609 8.662 1.00 0.00 H new ATOM 0 HA3 GLY A 21 25.498 0.408 9.580 1.00 0.00 H new ATOM 266 N GLU A 22 23.290 -1.249 8.195 1.00 0.00 N ATOM 267 CA GLU A 22 22.955 -2.275 7.213 1.00 0.00 C ATOM 268 C GLU A 22 21.703 -1.891 6.433 1.00 0.00 C ATOM 269 O GLU A 22 21.087 -0.858 6.697 1.00 0.00 O ATOM 270 CB GLU A 22 22.747 -3.623 7.904 1.00 0.00 C ATOM 271 CG GLU A 22 24.029 -4.421 8.080 1.00 0.00 C ATOM 272 CD GLU A 22 23.996 -5.748 7.348 1.00 0.00 C ATOM 273 OE1 GLU A 22 23.111 -6.574 7.656 1.00 0.00 O ATOM 274 OE2 GLU A 22 24.855 -5.962 6.466 1.00 0.00 O ATOM 0 H GLU A 22 22.691 -1.243 9.020 1.00 0.00 H new ATOM 0 HA GLU A 22 23.786 -2.359 6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 22 22.297 -3.455 8.882 1.00 0.00 H new ATOM 0 HB3 GLU A 22 22.038 -4.214 7.324 1.00 0.00 H new ATOM 0 HG2 GLU A 22 24.872 -3.832 7.718 1.00 0.00 H new ATOM 0 HG3 GLU A 22 24.198 -4.600 9.142 1.00 0.00 H new ATOM 281 N TRP A 23 21.329 -2.729 5.470 1.00 0.00 N ATOM 282 CA TRP A 23 20.148 -2.476 4.652 1.00 0.00 C ATOM 283 C TRP A 23 19.315 -3.744 4.494 1.00 0.00 C ATOM 284 O TRP A 23 19.857 -4.837 4.330 1.00 0.00 O ATOM 285 CB TRP A 23 20.560 -1.946 3.278 1.00 0.00 C ATOM 286 CG TRP A 23 20.902 -0.487 3.284 1.00 0.00 C ATOM 287 CD1 TRP A 23 22.143 0.063 3.434 1.00 0.00 C ATOM 288 CD2 TRP A 23 19.991 0.608 3.140 1.00 0.00 C ATOM 289 NE1 TRP A 23 22.058 1.434 3.390 1.00 0.00 N ATOM 290 CE2 TRP A 23 20.748 1.793 3.209 1.00 0.00 C ATOM 291 CE3 TRP A 23 18.608 0.702 2.957 1.00 0.00 C ATOM 292 CZ2 TRP A 23 20.169 3.055 3.103 1.00 0.00 C ATOM 293 CZ3 TRP A 23 18.034 1.956 2.850 1.00 0.00 C ATOM 294 CH2 TRP A 23 18.813 3.117 2.924 1.00 0.00 C ATOM 0 H TRP A 23 21.827 -3.588 5.238 1.00 0.00 H new ATOM 0 HA TRP A 23 19.540 -1.725 5.156 1.00 0.00 H new ATOM 0 HB2 TRP A 23 21.420 -2.512 2.921 1.00 0.00 H new ATOM 0 HB3 TRP A 23 19.749 -2.119 2.571 1.00 0.00 H new ATOM 0 HD1 TRP A 23 23.057 -0.497 3.568 1.00 0.00 H new ATOM 0 HE1 TRP A 23 22.843 2.080 3.478 1.00 0.00 H new ATOM 0 HE3 TRP A 23 17.999 -0.188 2.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 20.768 3.952 3.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 16.967 2.041 2.707 1.00 0.00 H new ATOM 0 HH2 TRP A 23 18.334 4.081 2.838 1.00 0.00 H new ATOM 305 N GLY A 24 17.995 -3.591 4.551 1.00 0.00 N ATOM 306 CA GLY A 24 17.110 -4.734 4.417 1.00 0.00 C ATOM 307 C GLY A 24 15.831 -4.397 3.677 1.00 0.00 C ATOM 308 O GLY A 24 15.208 -3.369 3.937 1.00 0.00 O ATOM 0 H GLY A 24 17.523 -2.697 4.687 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.631 -5.533 3.889 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.863 -5.115 5.408 1.00 0.00 H new ATOM 312 N CYS A 25 15.438 -5.268 2.753 1.00 0.00 N ATOM 313 CA CYS A 25 14.225 -5.058 1.971 1.00 0.00 C ATOM 314 C CYS A 25 12.999 -5.572 2.720 1.00 0.00 C ATOM 315 O CYS A 25 13.040 -6.631 3.345 1.00 0.00 O ATOM 316 CB CYS A 25 14.339 -5.759 0.617 1.00 0.00 C ATOM 317 SG CYS A 25 15.213 -4.786 -0.650 1.00 0.00 S ATOM 0 H CYS A 25 15.942 -6.126 2.528 1.00 0.00 H new ATOM 0 HA CYS A 25 14.108 -3.986 1.810 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.858 -6.708 0.753 1.00 0.00 H new ATOM 0 HB3 CYS A 25 13.338 -5.992 0.255 1.00 0.00 H new ATOM 322 N CYS A 26 11.908 -4.813 2.652 1.00 0.00 N ATOM 323 CA CYS A 26 10.670 -5.194 3.323 1.00 0.00 C ATOM 324 C CYS A 26 9.455 -4.736 2.520 1.00 0.00 C ATOM 325 O CYS A 26 8.905 -3.661 2.769 1.00 0.00 O ATOM 326 CB CYS A 26 10.623 -4.599 4.732 1.00 0.00 C ATOM 327 SG CYS A 26 10.540 -5.833 6.050 1.00 0.00 S ATOM 0 H CYS A 26 11.857 -3.932 2.140 1.00 0.00 H new ATOM 0 HA CYS A 26 10.645 -6.281 3.398 1.00 0.00 H new ATOM 0 HB2 CYS A 26 11.507 -3.980 4.883 1.00 0.00 H new ATOM 0 HB3 CYS A 26 9.757 -3.942 4.809 1.00 0.00 H new ATOM 0 HG CYS A 26 10.506 -5.234 7.203 1.00 0.00 H new ATOM 333 N PRO A 27 9.019 -5.546 1.539 1.00 0.00 N ATOM 334 CA PRO A 27 7.866 -5.218 0.697 1.00 0.00 C ATOM 335 C PRO A 27 6.536 -5.455 1.401 1.00 0.00 C ATOM 336 O PRO A 27 6.366 -6.446 2.112 1.00 0.00 O ATOM 337 CB PRO A 27 8.017 -6.176 -0.483 1.00 0.00 C ATOM 338 CG PRO A 27 8.712 -7.365 0.086 1.00 0.00 C ATOM 339 CD PRO A 27 9.619 -6.845 1.170 1.00 0.00 C ATOM 0 HA PRO A 27 7.853 -4.164 0.420 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.047 -6.446 -0.901 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.597 -5.725 -1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.994 -8.079 0.489 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.283 -7.886 -0.682 1.00 0.00 H new ATOM 0 HD2 PRO A 27 9.656 -7.525 2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 27 10.642 -6.726 0.813 1.00 0.00 H new ATOM 347 N ILE A 28 5.593 -4.543 1.190 1.00 0.00 N ATOM 348 CA ILE A 28 4.271 -4.653 1.795 1.00 0.00 C ATOM 349 C ILE A 28 3.175 -4.503 0.740 1.00 0.00 C ATOM 350 O ILE A 28 2.449 -3.508 0.726 1.00 0.00 O ATOM 351 CB ILE A 28 4.059 -3.600 2.900 1.00 0.00 C ATOM 352 CG1 ILE A 28 4.692 -2.265 2.502 1.00 0.00 C ATOM 353 CG2 ILE A 28 4.636 -4.092 4.218 1.00 0.00 C ATOM 354 CD1 ILE A 28 3.808 -1.069 2.787 1.00 0.00 C ATOM 0 H ILE A 28 5.720 -3.718 0.604 1.00 0.00 H new ATOM 0 HA ILE A 28 4.211 -5.644 2.244 1.00 0.00 H new ATOM 0 HB ILE A 28 2.988 -3.445 3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.635 -2.145 3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.929 -2.287 1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.478 -3.337 4.988 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.139 -5.017 4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.704 -4.274 4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.320 -0.157 2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.875 -1.166 2.232 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.592 -1.022 3.854 1.00 0.00 H new ATOM 366 N PRO A 29 3.048 -5.492 -0.167 1.00 0.00 N ATOM 367 CA PRO A 29 2.045 -5.474 -1.235 1.00 0.00 C ATOM 368 C PRO A 29 0.630 -5.655 -0.697 1.00 0.00 C ATOM 369 O PRO A 29 0.012 -6.704 -0.880 1.00 0.00 O ATOM 370 CB PRO A 29 2.432 -6.663 -2.132 1.00 0.00 C ATOM 371 CG PRO A 29 3.786 -7.091 -1.671 1.00 0.00 C ATOM 372 CD PRO A 29 3.876 -6.701 -0.226 1.00 0.00 C ATOM 0 HA PRO A 29 2.037 -4.520 -1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 29 1.711 -7.475 -2.038 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.450 -6.372 -3.182 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.917 -8.166 -1.793 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.568 -6.606 -2.255 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.496 -7.485 0.429 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.904 -6.503 0.077 1.00 0.00 H new ATOM 380 N GLU A 30 0.128 -4.621 -0.031 1.00 0.00 N ATOM 381 CA GLU A 30 -1.214 -4.648 0.542 1.00 0.00 C ATOM 382 C GLU A 30 -2.248 -5.061 -0.502 1.00 0.00 C ATOM 383 O GLU A 30 -2.071 -4.817 -1.696 1.00 0.00 O ATOM 384 CB GLU A 30 -1.573 -3.274 1.113 1.00 0.00 C ATOM 385 CG GLU A 30 -0.559 -2.749 2.117 1.00 0.00 C ATOM 386 CD GLU A 30 -0.603 -3.496 3.434 1.00 0.00 C ATOM 387 OE1 GLU A 30 -0.020 -4.598 3.511 1.00 0.00 O ATOM 388 OE2 GLU A 30 -1.221 -2.980 4.389 1.00 0.00 O ATOM 0 H GLU A 30 0.633 -3.749 0.126 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.223 -5.385 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.663 -2.561 0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.550 -3.333 1.593 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.442 -2.828 1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.746 -1.690 2.297 1.00 0.00 H new ATOM 395 N ALA A 31 -3.325 -5.689 -0.043 1.00 0.00 N ATOM 396 CA ALA A 31 -4.388 -6.139 -0.934 1.00 0.00 C ATOM 397 C ALA A 31 -5.066 -4.960 -1.624 1.00 0.00 C ATOM 398 O ALA A 31 -5.299 -3.919 -1.009 1.00 0.00 O ATOM 399 CB ALA A 31 -5.410 -6.958 -0.161 1.00 0.00 C ATOM 0 H ALA A 31 -3.485 -5.898 0.942 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.940 -6.767 -1.705 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.198 -7.288 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.922 -7.828 0.279 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.843 -6.346 0.630 1.00 0.00 H new ATOM 405 N VAL A 32 -5.379 -5.132 -2.904 1.00 0.00 N ATOM 406 CA VAL A 32 -6.032 -4.086 -3.681 1.00 0.00 C ATOM 407 C VAL A 32 -7.545 -4.279 -3.695 1.00 0.00 C ATOM 408 O VAL A 32 -8.037 -5.375 -3.965 1.00 0.00 O ATOM 409 CB VAL A 32 -5.511 -4.059 -5.133 1.00 0.00 C ATOM 410 CG1 VAL A 32 -6.244 -3.009 -5.953 1.00 0.00 C ATOM 411 CG2 VAL A 32 -4.010 -3.809 -5.155 1.00 0.00 C ATOM 0 H VAL A 32 -5.190 -5.988 -3.426 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.795 -3.136 -3.202 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.705 -5.033 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.859 -3.009 -6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.310 -3.237 -5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.090 -2.026 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.659 -3.793 -6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.794 -2.850 -4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.501 -4.604 -4.611 1.00 0.00 H new ATOM 421 N CYS A 33 -8.278 -3.209 -3.399 1.00 0.00 N ATOM 422 CA CYS A 33 -9.735 -3.265 -3.375 1.00 0.00 C ATOM 423 C CYS A 33 -10.341 -1.904 -3.710 1.00 0.00 C ATOM 424 O CYS A 33 -9.650 -0.885 -3.698 1.00 0.00 O ATOM 425 CB CYS A 33 -10.227 -3.731 -2.004 1.00 0.00 C ATOM 426 SG CYS A 33 -10.168 -2.452 -0.726 1.00 0.00 S ATOM 0 H CYS A 33 -7.887 -2.295 -3.173 1.00 0.00 H new ATOM 0 HA CYS A 33 -10.056 -3.981 -4.132 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -11.253 -4.087 -2.100 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.623 -4.580 -1.682 1.00 0.00 H new ATOM 0 HG CYS A 33 -10.606 -2.940 0.397 1.00 0.00 H new ATOM 432 N CYS A 34 -11.637 -1.898 -4.008 1.00 0.00 N ATOM 433 CA CYS A 34 -12.340 -0.666 -4.345 1.00 0.00 C ATOM 434 C CYS A 34 -13.389 -0.333 -3.287 1.00 0.00 C ATOM 435 O CYS A 34 -14.030 -1.227 -2.735 1.00 0.00 O ATOM 436 CB CYS A 34 -13.006 -0.795 -5.717 1.00 0.00 C ATOM 437 SG CYS A 34 -13.838 -2.393 -5.990 1.00 0.00 S ATOM 0 H CYS A 34 -12.221 -2.734 -4.023 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.611 0.144 -4.377 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -13.735 0.007 -5.832 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -12.251 -0.653 -6.491 1.00 0.00 H new ATOM 442 N SER A 35 -13.556 0.956 -3.010 1.00 0.00 N ATOM 443 CA SER A 35 -14.526 1.405 -2.018 1.00 0.00 C ATOM 444 C SER A 35 -14.901 2.867 -2.242 1.00 0.00 C ATOM 445 O SER A 35 -15.949 3.325 -1.787 1.00 0.00 O ATOM 446 CB SER A 35 -13.963 1.222 -0.608 1.00 0.00 C ATOM 447 OG SER A 35 -12.547 1.196 -0.625 1.00 0.00 O ATOM 0 H SER A 35 -13.032 1.708 -3.458 1.00 0.00 H new ATOM 0 HA SER A 35 -15.426 0.799 -2.126 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.307 2.034 0.033 1.00 0.00 H new ATOM 0 HB3 SER A 35 -14.342 0.294 -0.179 1.00 0.00 H new ATOM 0 HG SER A 35 -12.211 1.080 0.288 1.00 0.00 H new ATOM 453 N ASP A 36 -14.039 3.592 -2.947 1.00 0.00 N ATOM 454 CA ASP A 36 -14.281 5.002 -3.232 1.00 0.00 C ATOM 455 C ASP A 36 -14.373 5.245 -4.735 1.00 0.00 C ATOM 456 O ASP A 36 -14.892 6.270 -5.178 1.00 0.00 O ATOM 457 CB ASP A 36 -13.169 5.865 -2.633 1.00 0.00 C ATOM 458 CG ASP A 36 -13.326 6.058 -1.137 1.00 0.00 C ATOM 459 OD1 ASP A 36 -13.938 5.186 -0.486 1.00 0.00 O ATOM 460 OD2 ASP A 36 -12.835 7.082 -0.617 1.00 0.00 O ATOM 0 H ASP A 36 -13.167 3.227 -3.331 1.00 0.00 H new ATOM 0 HA ASP A 36 -15.232 5.280 -2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.204 5.401 -2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.165 6.839 -3.123 1.00 0.00 H new ATOM 465 N HIS A 37 -13.867 4.294 -5.515 1.00 0.00 N ATOM 466 CA HIS A 37 -13.892 4.403 -6.969 1.00 0.00 C ATOM 467 C HIS A 37 -14.325 3.087 -7.605 1.00 0.00 C ATOM 468 O HIS A 37 -13.513 2.181 -7.795 1.00 0.00 O ATOM 469 CB HIS A 37 -12.514 4.808 -7.495 1.00 0.00 C ATOM 470 CG HIS A 37 -12.063 6.153 -7.016 1.00 0.00 C ATOM 471 ND1 HIS A 37 -12.491 7.336 -7.581 1.00 0.00 N ATOM 472 CD2 HIS A 37 -11.215 6.500 -6.019 1.00 0.00 C ATOM 473 CE1 HIS A 37 -11.925 8.352 -6.954 1.00 0.00 C ATOM 474 NE2 HIS A 37 -11.148 7.871 -6.002 1.00 0.00 N ATOM 0 H HIS A 37 -13.435 3.439 -5.164 1.00 0.00 H new ATOM 0 HA HIS A 37 -14.616 5.172 -7.238 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.783 4.059 -7.190 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -12.535 4.808 -8.585 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -10.690 5.824 -5.360 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -12.073 9.397 -7.182 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -10.588 8.428 -5.357 1.00 0.00 H new ATOM 483 N GLN A 38 -15.610 2.989 -7.934 1.00 0.00 N ATOM 484 CA GLN A 38 -16.153 1.785 -8.551 1.00 0.00 C ATOM 485 C GLN A 38 -15.767 1.711 -10.025 1.00 0.00 C ATOM 486 O GLN A 38 -15.383 2.715 -10.627 1.00 0.00 O ATOM 487 CB GLN A 38 -17.676 1.752 -8.408 1.00 0.00 C ATOM 488 CG GLN A 38 -18.350 3.067 -8.763 1.00 0.00 C ATOM 489 CD GLN A 38 -19.788 2.886 -9.209 1.00 0.00 C ATOM 490 OE1 GLN A 38 -20.393 1.837 -8.988 1.00 0.00 O ATOM 491 NE2 GLN A 38 -20.344 3.913 -9.841 1.00 0.00 N ATOM 0 H GLN A 38 -16.294 3.730 -7.783 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.730 0.921 -8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -18.075 0.965 -9.047 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -17.930 1.489 -7.381 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -18.323 3.730 -7.898 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -17.786 3.557 -9.557 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -19.806 4.764 -10.003 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -21.309 3.851 -10.164 1.00 0.00 H new ATOM 500 N HIS A 39 -15.872 0.514 -10.598 1.00 0.00 N ATOM 501 CA HIS A 39 -15.536 0.300 -12.002 1.00 0.00 C ATOM 502 C HIS A 39 -14.093 0.709 -12.287 1.00 0.00 C ATOM 503 O HIS A 39 -13.735 1.007 -13.427 1.00 0.00 O ATOM 504 CB HIS A 39 -16.490 1.082 -12.908 1.00 0.00 C ATOM 505 CG HIS A 39 -17.806 0.402 -13.118 1.00 0.00 C ATOM 506 ND1 HIS A 39 -17.937 -0.965 -13.248 1.00 0.00 N ATOM 507 CD2 HIS A 39 -19.059 0.908 -13.218 1.00 0.00 C ATOM 508 CE1 HIS A 39 -19.211 -1.269 -13.422 1.00 0.00 C ATOM 509 NE2 HIS A 39 -19.911 -0.151 -13.407 1.00 0.00 N ATOM 0 H HIS A 39 -16.188 -0.324 -10.109 1.00 0.00 H new ATOM 0 HA HIS A 39 -15.641 -0.764 -12.213 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -16.664 2.067 -12.475 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -16.013 1.239 -13.875 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -19.336 1.950 -13.160 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -19.611 -2.263 -13.554 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -20.923 -0.084 -13.518 1.00 0.00 H new ATOM 518 N CYS A 40 -13.271 0.718 -11.243 1.00 0.00 N ATOM 519 CA CYS A 40 -11.866 1.087 -11.376 1.00 0.00 C ATOM 520 C CYS A 40 -11.009 0.315 -10.380 1.00 0.00 C ATOM 521 O CYS A 40 -11.410 0.104 -9.234 1.00 0.00 O ATOM 522 CB CYS A 40 -11.687 2.592 -11.161 1.00 0.00 C ATOM 523 SG CYS A 40 -10.882 3.441 -12.541 1.00 0.00 S ATOM 0 H CYS A 40 -13.554 0.474 -10.294 1.00 0.00 H new ATOM 0 HA CYS A 40 -11.542 0.832 -12.385 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -12.664 3.043 -10.991 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -11.100 2.752 -10.257 1.00 0.00 H new ATOM 0 HG CYS A 40 -10.777 4.708 -12.269 1.00 0.00 H new ATOM 529 N CYS A 41 -9.829 -0.110 -10.823 1.00 0.00 N ATOM 530 CA CYS A 41 -8.919 -0.862 -9.969 1.00 0.00 C ATOM 531 C CYS A 41 -7.519 -0.924 -10.575 1.00 0.00 C ATOM 532 O CYS A 41 -7.363 -1.171 -11.770 1.00 0.00 O ATOM 533 CB CYS A 41 -9.451 -2.280 -9.751 1.00 0.00 C ATOM 534 SG CYS A 41 -9.360 -2.852 -8.024 1.00 0.00 S ATOM 0 H CYS A 41 -9.482 0.054 -11.768 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.856 -0.347 -9.010 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -10.489 -2.322 -10.082 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.887 -2.969 -10.381 1.00 0.00 H new ATOM 539 N PRO A 42 -6.475 -0.702 -9.753 1.00 0.00 N ATOM 540 CA PRO A 42 -5.087 -0.738 -10.212 1.00 0.00 C ATOM 541 C PRO A 42 -4.540 -2.160 -10.277 1.00 0.00 C ATOM 542 O PRO A 42 -5.289 -3.128 -10.151 1.00 0.00 O ATOM 543 CB PRO A 42 -4.361 0.064 -9.139 1.00 0.00 C ATOM 544 CG PRO A 42 -5.127 -0.216 -7.891 1.00 0.00 C ATOM 545 CD PRO A 42 -6.564 -0.402 -8.309 1.00 0.00 C ATOM 0 HA PRO A 42 -4.969 -0.343 -11.221 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -3.320 -0.247 -9.046 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.356 1.129 -9.373 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -4.748 -1.109 -7.394 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.031 0.607 -7.183 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.038 -1.215 -7.760 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.154 0.495 -8.122 1.00 0.00 H new ATOM 553 N GLN A 43 -3.228 -2.276 -10.469 1.00 0.00 N ATOM 554 CA GLN A 43 -2.572 -3.578 -10.546 1.00 0.00 C ATOM 555 C GLN A 43 -3.221 -4.457 -11.614 1.00 0.00 C ATOM 556 O GLN A 43 -2.882 -4.367 -12.794 1.00 0.00 O ATOM 557 CB GLN A 43 -2.618 -4.276 -9.184 1.00 0.00 C ATOM 558 CG GLN A 43 -1.590 -3.752 -8.195 1.00 0.00 C ATOM 559 CD GLN A 43 -0.164 -3.964 -8.666 1.00 0.00 C ATOM 560 OE1 GLN A 43 0.103 -5.133 -9.237 1.00 0.00 O flip ATOM 561 NE2 GLN A 43 0.688 -3.089 -8.515 1.00 0.00 N flip ATOM 0 H GLN A 43 -2.597 -1.481 -10.574 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.531 -3.418 -10.826 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.614 -4.156 -8.757 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.459 -5.345 -9.328 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.760 -2.688 -8.030 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.729 -4.249 -7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.438 -2.205 -8.071 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.644 -3.247 -8.834 1.00 0.00 H new ATOM 570 N GLY A 44 -4.157 -5.307 -11.195 1.00 0.00 N ATOM 571 CA GLY A 44 -4.836 -6.187 -12.129 1.00 0.00 C ATOM 572 C GLY A 44 -6.008 -6.909 -11.494 1.00 0.00 C ATOM 573 O GLY A 44 -6.293 -8.059 -11.831 1.00 0.00 O ATOM 0 H GLY A 44 -4.456 -5.401 -10.224 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.189 -5.606 -12.981 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.127 -6.920 -12.515 1.00 0.00 H new ATOM 577 N TYR A 45 -6.685 -6.233 -10.571 1.00 0.00 N ATOM 578 CA TYR A 45 -7.831 -6.814 -9.882 1.00 0.00 C ATOM 579 C TYR A 45 -9.139 -6.349 -10.514 1.00 0.00 C ATOM 580 O TYR A 45 -9.140 -5.499 -11.405 1.00 0.00 O ATOM 581 CB TYR A 45 -7.798 -6.442 -8.399 1.00 0.00 C ATOM 582 CG TYR A 45 -6.565 -6.940 -7.681 1.00 0.00 C ATOM 583 CD1 TYR A 45 -5.360 -6.253 -7.770 1.00 0.00 C ATOM 584 CD2 TYR A 45 -6.605 -8.098 -6.915 1.00 0.00 C ATOM 585 CE1 TYR A 45 -4.230 -6.707 -7.117 1.00 0.00 C ATOM 586 CE2 TYR A 45 -5.478 -8.558 -6.258 1.00 0.00 C ATOM 587 CZ TYR A 45 -4.294 -7.859 -6.363 1.00 0.00 C ATOM 588 OH TYR A 45 -3.170 -8.315 -5.712 1.00 0.00 O ATOM 0 H TYR A 45 -6.459 -5.281 -10.283 1.00 0.00 H new ATOM 0 HA TYR A 45 -7.774 -7.898 -9.977 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.852 -5.358 -8.303 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.683 -6.849 -7.910 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.306 -5.349 -8.359 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.531 -8.648 -6.831 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.301 -6.162 -7.197 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.525 -9.460 -5.666 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.385 -9.137 -5.224 1.00 0.00 H new ATOM 598 N THR A 46 -10.253 -6.915 -10.053 1.00 0.00 N ATOM 599 CA THR A 46 -11.565 -6.560 -10.583 1.00 0.00 C ATOM 600 C THR A 46 -12.614 -6.474 -9.479 1.00 0.00 C ATOM 601 O THR A 46 -12.617 -7.278 -8.548 1.00 0.00 O ATOM 602 CB THR A 46 -12.040 -7.582 -11.628 1.00 0.00 C ATOM 603 OG1 THR A 46 -10.973 -8.480 -11.958 1.00 0.00 O ATOM 604 CG2 THR A 46 -12.528 -6.883 -12.888 1.00 0.00 C ATOM 0 H THR A 46 -10.272 -7.619 -9.315 1.00 0.00 H new ATOM 0 HA THR A 46 -11.453 -5.582 -11.051 1.00 0.00 H new ATOM 0 HB THR A 46 -12.869 -8.145 -11.200 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.285 -9.129 -12.623 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.859 -7.627 -13.612 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.360 -6.224 -12.639 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.716 -6.296 -13.316 1.00 0.00 H new ATOM 612 N CYS A 47 -13.512 -5.498 -9.601 1.00 0.00 N ATOM 613 CA CYS A 47 -14.579 -5.311 -8.624 1.00 0.00 C ATOM 614 C CYS A 47 -15.839 -6.055 -9.057 1.00 0.00 C ATOM 615 O CYS A 47 -16.353 -5.834 -10.155 1.00 0.00 O ATOM 616 CB CYS A 47 -14.889 -3.822 -8.450 1.00 0.00 C ATOM 617 SG CYS A 47 -13.458 -2.816 -7.939 1.00 0.00 S ATOM 0 H CYS A 47 -13.521 -4.825 -10.368 1.00 0.00 H new ATOM 0 HA CYS A 47 -14.242 -5.716 -7.670 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -15.277 -3.431 -9.391 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -15.680 -3.711 -7.708 1.00 0.00 H new ATOM 622 N VAL A 48 -16.329 -6.939 -8.194 1.00 0.00 N ATOM 623 CA VAL A 48 -17.528 -7.716 -8.496 1.00 0.00 C ATOM 624 C VAL A 48 -18.743 -7.180 -7.748 1.00 0.00 C ATOM 625 O VAL A 48 -18.915 -7.440 -6.557 1.00 0.00 O ATOM 626 CB VAL A 48 -17.344 -9.208 -8.151 1.00 0.00 C ATOM 627 CG1 VAL A 48 -16.834 -9.976 -9.359 1.00 0.00 C ATOM 628 CG2 VAL A 48 -16.403 -9.378 -6.965 1.00 0.00 C ATOM 0 H VAL A 48 -15.916 -7.136 -7.282 1.00 0.00 H new ATOM 0 HA VAL A 48 -17.695 -7.619 -9.569 1.00 0.00 H new ATOM 0 HB VAL A 48 -18.315 -9.616 -7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.710 -11.027 -9.096 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.551 -9.888 -10.175 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.874 -9.565 -9.673 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.289 -10.438 -6.740 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -15.430 -8.952 -7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -16.816 -8.866 -6.096 1.00 0.00 H new ATOM 638 N ALA A 49 -19.586 -6.435 -8.460 1.00 0.00 N ATOM 639 CA ALA A 49 -20.794 -5.860 -7.878 1.00 0.00 C ATOM 640 C ALA A 49 -20.480 -5.069 -6.609 1.00 0.00 C ATOM 641 O ALA A 49 -20.092 -3.902 -6.677 1.00 0.00 O ATOM 642 CB ALA A 49 -21.814 -6.952 -7.592 1.00 0.00 C ATOM 0 H ALA A 49 -19.452 -6.215 -9.447 1.00 0.00 H new ATOM 0 HA ALA A 49 -21.219 -5.165 -8.603 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.710 -6.508 -7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.074 -7.460 -8.521 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.390 -7.672 -6.892 1.00 0.00 H new ATOM 648 N GLU A 50 -20.652 -5.708 -5.455 1.00 0.00 N ATOM 649 CA GLU A 50 -20.388 -5.060 -4.176 1.00 0.00 C ATOM 650 C GLU A 50 -19.465 -5.914 -3.315 1.00 0.00 C ATOM 651 O GLU A 50 -19.829 -7.013 -2.895 1.00 0.00 O ATOM 652 CB GLU A 50 -21.701 -4.796 -3.434 1.00 0.00 C ATOM 653 CG GLU A 50 -22.656 -5.978 -3.447 1.00 0.00 C ATOM 654 CD GLU A 50 -23.832 -5.771 -4.383 1.00 0.00 C ATOM 655 OE1 GLU A 50 -23.721 -4.928 -5.298 1.00 0.00 O ATOM 656 OE2 GLU A 50 -24.863 -6.452 -4.201 1.00 0.00 O ATOM 0 H GLU A 50 -20.973 -6.673 -5.380 1.00 0.00 H new ATOM 0 HA GLU A 50 -19.893 -4.109 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -21.478 -4.532 -2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -22.196 -3.935 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -22.113 -6.875 -3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -23.027 -6.151 -2.437 1.00 0.00 H new ATOM 663 N GLY A 51 -18.266 -5.402 -3.055 1.00 0.00 N ATOM 664 CA GLY A 51 -17.305 -6.127 -2.246 1.00 0.00 C ATOM 665 C GLY A 51 -15.899 -5.577 -2.386 1.00 0.00 C ATOM 666 O GLY A 51 -15.649 -4.411 -2.079 1.00 0.00 O ATOM 0 H GLY A 51 -17.943 -4.495 -3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.607 -6.082 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.311 -7.178 -2.534 1.00 0.00 H new ATOM 670 N GLN A 52 -14.981 -6.416 -2.853 1.00 0.00 N ATOM 671 CA GLN A 52 -13.593 -6.005 -3.034 1.00 0.00 C ATOM 672 C GLN A 52 -13.088 -6.386 -4.422 1.00 0.00 C ATOM 673 O GLN A 52 -13.815 -6.983 -5.217 1.00 0.00 O ATOM 674 CB GLN A 52 -12.704 -6.639 -1.962 1.00 0.00 C ATOM 675 CG GLN A 52 -12.604 -8.154 -2.067 1.00 0.00 C ATOM 676 CD GLN A 52 -11.539 -8.731 -1.154 1.00 0.00 C ATOM 677 OE1 GLN A 52 -11.567 -8.525 0.060 1.00 0.00 O ATOM 678 NE2 GLN A 52 -10.591 -9.457 -1.736 1.00 0.00 N ATOM 0 H GLN A 52 -15.172 -7.384 -3.113 1.00 0.00 H new ATOM 0 HA GLN A 52 -13.548 -4.920 -2.936 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -11.704 -6.212 -2.033 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -13.093 -6.377 -0.978 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -13.569 -8.597 -1.819 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -12.382 -8.430 -3.098 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.607 -9.602 -2.746 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.847 -9.870 -1.173 1.00 0.00 H new ATOM 687 N CYS A 53 -11.838 -6.038 -4.704 1.00 0.00 N ATOM 688 CA CYS A 53 -11.229 -6.341 -5.993 1.00 0.00 C ATOM 689 C CYS A 53 -10.524 -7.692 -5.952 1.00 0.00 C ATOM 690 O CYS A 53 -9.472 -7.837 -5.327 1.00 0.00 O ATOM 691 CB CYS A 53 -10.236 -5.242 -6.375 1.00 0.00 C ATOM 692 SG CYS A 53 -10.548 -4.495 -8.006 1.00 0.00 S ATOM 0 H CYS A 53 -11.225 -5.544 -4.055 1.00 0.00 H new ATOM 0 HA CYS A 53 -12.017 -6.387 -6.745 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.267 -4.460 -5.617 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -9.228 -5.657 -6.364 1.00 0.00 H new ATOM 697 N GLN A 54 -11.111 -8.680 -6.620 1.00 0.00 N ATOM 698 CA GLN A 54 -10.543 -10.022 -6.660 1.00 0.00 C ATOM 699 C GLN A 54 -9.743 -10.237 -7.941 1.00 0.00 C ATOM 700 O GLN A 54 -9.942 -9.536 -8.934 1.00 0.00 O ATOM 701 CB GLN A 54 -11.653 -11.069 -6.553 1.00 0.00 C ATOM 702 CG GLN A 54 -11.961 -11.487 -5.124 1.00 0.00 C ATOM 703 CD GLN A 54 -12.266 -12.967 -5.000 1.00 0.00 C ATOM 704 OE1 GLN A 54 -12.031 -13.742 -5.928 1.00 0.00 O ATOM 705 NE2 GLN A 54 -12.793 -13.368 -3.850 1.00 0.00 N ATOM 0 H GLN A 54 -11.981 -8.576 -7.142 1.00 0.00 H new ATOM 0 HA GLN A 54 -9.868 -10.131 -5.811 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.560 -10.673 -7.010 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -11.366 -11.950 -7.126 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.112 -11.241 -4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.812 -10.913 -4.757 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.971 -12.692 -3.107 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.020 -14.352 -3.709 1.00 0.00 H new ATOM 714 N LYS A 55 -8.836 -11.208 -7.908 1.00 0.00 N ATOM 715 CA LYS A 55 -8.002 -11.516 -9.064 1.00 0.00 C ATOM 716 C LYS A 55 -8.418 -12.839 -9.699 1.00 0.00 C ATOM 717 O LYS A 55 -8.383 -13.886 -9.052 1.00 0.00 O ATOM 718 CB LYS A 55 -6.530 -11.576 -8.653 1.00 0.00 C ATOM 719 CG LYS A 55 -5.666 -10.518 -9.320 1.00 0.00 C ATOM 720 CD LYS A 55 -4.650 -11.140 -10.264 1.00 0.00 C ATOM 721 CE LYS A 55 -3.853 -10.077 -11.003 1.00 0.00 C ATOM 722 NZ LYS A 55 -3.137 -9.169 -10.065 1.00 0.00 N ATOM 0 H LYS A 55 -8.660 -11.795 -7.093 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.136 -10.723 -9.800 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.459 -11.462 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.134 -12.562 -8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.300 -9.825 -9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.147 -9.937 -8.557 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.971 -11.779 -9.700 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.163 -11.778 -10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.132 -10.558 -11.664 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.524 -9.493 -11.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.452 -8.593 -10.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.823 -8.545 -9.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.636 -9.734 -9.350 1.00 0.00 H new ATOM 736 N LEU A 56 -8.809 -12.783 -10.968 1.00 0.00 N ATOM 737 CA LEU A 56 -9.230 -13.977 -11.692 1.00 0.00 C ATOM 738 C LEU A 56 -8.875 -13.870 -13.171 1.00 0.00 C ATOM 739 O LEU A 56 -8.443 -12.817 -13.641 1.00 0.00 O ATOM 740 CB LEU A 56 -10.737 -14.196 -11.534 1.00 0.00 C ATOM 741 CG LEU A 56 -11.552 -12.933 -11.251 1.00 0.00 C ATOM 742 CD1 LEU A 56 -12.225 -12.436 -12.522 1.00 0.00 C ATOM 743 CD2 LEU A 56 -12.585 -13.201 -10.168 1.00 0.00 C ATOM 0 H LEU A 56 -8.843 -11.924 -11.516 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.700 -14.830 -11.268 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.118 -14.659 -12.444 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.902 -14.905 -10.723 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.875 -12.156 -10.897 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -12.800 -11.537 -12.301 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.466 -12.207 -13.270 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.892 -13.208 -12.907 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.157 -12.293 -9.978 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.259 -13.992 -10.496 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -12.081 -13.510 -9.253 1.00 0.00 H new ATOM 755 N ALA A 57 -9.062 -14.967 -13.898 1.00 0.00 N ATOM 756 CA ALA A 57 -8.764 -14.999 -15.325 1.00 0.00 C ATOM 757 C ALA A 57 -10.042 -15.130 -16.145 1.00 0.00 C ATOM 758 O ALA A 57 -10.011 -15.077 -17.375 1.00 0.00 O ATOM 759 CB ALA A 57 -7.812 -16.143 -15.640 1.00 0.00 C ATOM 0 H ALA A 57 -9.419 -15.846 -13.522 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.283 -14.059 -15.594 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -7.598 -16.155 -16.709 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.883 -16.007 -15.086 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.271 -17.088 -15.351 1.00 0.00 H new ATOM 765 N ALA A 58 -11.166 -15.299 -15.453 1.00 0.00 N ATOM 766 CA ALA A 58 -12.461 -15.437 -16.109 1.00 0.00 C ATOM 767 C ALA A 58 -12.446 -16.573 -17.127 1.00 0.00 C ATOM 768 O ALA A 58 -12.524 -16.342 -18.334 1.00 0.00 O ATOM 769 CB ALA A 58 -12.856 -14.127 -16.775 1.00 0.00 C ATOM 0 H ALA A 58 -11.205 -15.344 -14.435 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.202 -15.682 -15.348 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.825 -14.244 -17.261 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.920 -13.341 -16.022 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.107 -13.857 -17.519 1.00 0.00 H new ATOM 775 N ALA A 59 -12.344 -17.803 -16.630 1.00 0.00 N ATOM 776 CA ALA A 59 -12.316 -18.978 -17.492 1.00 0.00 C ATOM 777 C ALA A 59 -13.728 -19.443 -17.836 1.00 0.00 C ATOM 778 O ALA A 59 -14.237 -19.162 -18.922 1.00 0.00 O ATOM 779 CB ALA A 59 -11.536 -20.101 -16.828 1.00 0.00 C ATOM 0 H ALA A 59 -12.279 -18.010 -15.633 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.817 -18.703 -18.421 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.523 -20.972 -17.483 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.514 -19.773 -16.641 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -12.011 -20.365 -15.883 1.00 0.00 H new ATOM 785 N LEU A 60 -14.354 -20.156 -16.906 1.00 0.00 N ATOM 786 CA LEU A 60 -15.708 -20.663 -17.109 1.00 0.00 C ATOM 787 C LEU A 60 -16.422 -20.840 -15.775 1.00 0.00 C ATOM 788 O LEU A 60 -17.519 -21.395 -15.708 1.00 0.00 O ATOM 789 CB LEU A 60 -15.664 -21.996 -17.861 1.00 0.00 C ATOM 790 CG LEU A 60 -16.665 -22.140 -19.011 1.00 0.00 C ATOM 791 CD1 LEU A 60 -18.075 -22.328 -18.478 1.00 0.00 C ATOM 792 CD2 LEU A 60 -16.599 -20.935 -19.941 1.00 0.00 C ATOM 0 H LEU A 60 -13.946 -20.397 -16.003 1.00 0.00 H new ATOM 0 HA LEU A 60 -16.262 -19.937 -17.704 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.659 -22.135 -18.258 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -15.839 -22.801 -17.148 1.00 0.00 H new ATOM 0 HG LEU A 60 -16.395 -23.027 -19.584 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -18.769 -22.428 -19.312 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -18.115 -23.227 -17.863 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -18.354 -21.464 -17.875 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -17.319 -21.060 -20.750 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.836 -20.030 -19.381 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.595 -20.852 -20.358 1.00 0.00 H new ATOM 804 N GLU A 61 -15.786 -20.362 -14.715 1.00 0.00 N ATOM 805 CA GLU A 61 -16.348 -20.462 -13.374 1.00 0.00 C ATOM 806 C GLU A 61 -17.416 -19.399 -13.145 1.00 0.00 C ATOM 807 O GLU A 61 -17.113 -18.279 -12.731 1.00 0.00 O ATOM 808 CB GLU A 61 -15.244 -20.326 -12.323 1.00 0.00 C ATOM 809 CG GLU A 61 -14.922 -21.627 -11.608 1.00 0.00 C ATOM 810 CD GLU A 61 -13.729 -22.343 -12.209 1.00 0.00 C ATOM 811 OE1 GLU A 61 -13.712 -22.532 -13.444 1.00 0.00 O ATOM 812 OE2 GLU A 61 -12.813 -22.716 -11.447 1.00 0.00 O ATOM 0 H GLU A 61 -14.878 -19.900 -14.757 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.814 -21.443 -13.279 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -14.340 -19.952 -12.804 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -15.545 -19.581 -11.586 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.725 -21.420 -10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -15.792 -22.283 -11.646 1.00 0.00 H new ATOM 819 N HIS A 62 -18.669 -19.760 -13.412 1.00 0.00 N ATOM 820 CA HIS A 62 -19.791 -18.844 -13.232 1.00 0.00 C ATOM 821 C HIS A 62 -19.602 -17.570 -14.052 1.00 0.00 C ATOM 822 O HIS A 62 -19.038 -16.587 -13.570 1.00 0.00 O ATOM 823 CB HIS A 62 -19.950 -18.493 -11.751 1.00 0.00 C ATOM 824 CG HIS A 62 -21.357 -18.168 -11.355 1.00 0.00 C ATOM 825 ND1 HIS A 62 -21.674 -17.154 -10.475 1.00 0.00 N ATOM 826 CD2 HIS A 62 -22.535 -18.729 -11.720 1.00 0.00 C ATOM 827 CE1 HIS A 62 -22.984 -17.107 -10.314 1.00 0.00 C ATOM 828 NE2 HIS A 62 -23.529 -18.051 -11.059 1.00 0.00 N ATOM 0 H HIS A 62 -18.933 -20.684 -13.755 1.00 0.00 H new ATOM 0 HA HIS A 62 -20.694 -19.343 -13.584 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -19.597 -19.330 -11.149 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -19.311 -17.641 -11.518 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -22.667 -19.555 -12.403 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -23.518 -16.414 -9.681 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -24.528 -18.245 -11.132 1.00 0.00 H new ATOM 837 N HIS A 63 -20.083 -17.594 -15.292 1.00 0.00 N ATOM 838 CA HIS A 63 -19.970 -16.438 -16.176 1.00 0.00 C ATOM 839 C HIS A 63 -20.882 -15.310 -15.704 1.00 0.00 C ATOM 840 O HIS A 63 -21.809 -15.534 -14.924 1.00 0.00 O ATOM 841 CB HIS A 63 -20.318 -16.828 -17.615 1.00 0.00 C ATOM 842 CG HIS A 63 -21.641 -17.517 -17.753 1.00 0.00 C ATOM 843 ND1 HIS A 63 -21.766 -18.840 -18.119 1.00 0.00 N ATOM 844 CD2 HIS A 63 -22.902 -17.057 -17.573 1.00 0.00 C ATOM 845 CE1 HIS A 63 -23.046 -19.164 -18.159 1.00 0.00 C ATOM 846 NE2 HIS A 63 -23.757 -18.101 -17.831 1.00 0.00 N ATOM 0 H HIS A 63 -20.553 -18.399 -15.706 1.00 0.00 H new ATOM 0 HA HIS A 63 -18.938 -16.087 -16.148 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.320 -15.931 -18.234 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -19.537 -17.481 -18.003 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -23.183 -16.056 -17.281 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -23.444 -20.135 -18.417 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -24.775 -18.061 -17.778 1.00 0.00 H new ATOM 855 N HIS A 64 -20.615 -14.097 -16.176 1.00 0.00 N ATOM 856 CA HIS A 64 -21.414 -12.939 -15.794 1.00 0.00 C ATOM 857 C HIS A 64 -21.694 -12.043 -16.995 1.00 0.00 C ATOM 858 O HIS A 64 -21.118 -12.224 -18.068 1.00 0.00 O ATOM 859 CB HIS A 64 -20.702 -12.138 -14.703 1.00 0.00 C ATOM 860 CG HIS A 64 -21.639 -11.460 -13.753 1.00 0.00 C ATOM 861 ND1 HIS A 64 -22.095 -10.170 -13.935 1.00 0.00 N ATOM 862 CD2 HIS A 64 -22.211 -11.898 -12.607 1.00 0.00 C ATOM 863 CE1 HIS A 64 -22.904 -9.846 -12.943 1.00 0.00 C ATOM 864 NE2 HIS A 64 -22.990 -10.878 -12.123 1.00 0.00 N ATOM 0 H HIS A 64 -19.853 -13.891 -16.822 1.00 0.00 H new ATOM 0 HA HIS A 64 -22.366 -13.303 -15.408 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -20.048 -12.805 -14.142 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -20.066 -11.387 -15.171 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -21.846 -9.561 -14.715 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -22.079 -12.871 -12.157 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -23.409 -8.899 -12.823 1.00 0.00 H new ATOM 873 N HIS A 65 -22.586 -11.076 -16.804 1.00 0.00 N ATOM 874 CA HIS A 65 -22.950 -10.145 -17.865 1.00 0.00 C ATOM 875 C HIS A 65 -22.182 -8.835 -17.724 1.00 0.00 C ATOM 876 O HIS A 65 -21.504 -8.608 -16.721 1.00 0.00 O ATOM 877 CB HIS A 65 -24.454 -9.873 -17.832 1.00 0.00 C ATOM 878 CG HIS A 65 -25.120 -10.008 -19.167 1.00 0.00 C ATOM 879 ND1 HIS A 65 -24.535 -10.646 -20.241 1.00 0.00 N ATOM 880 CD2 HIS A 65 -26.332 -9.586 -19.599 1.00 0.00 C ATOM 881 CE1 HIS A 65 -25.357 -10.608 -21.274 1.00 0.00 C ATOM 882 NE2 HIS A 65 -26.455 -9.971 -20.910 1.00 0.00 N ATOM 0 H HIS A 65 -23.071 -10.917 -15.921 1.00 0.00 H new ATOM 0 HA HIS A 65 -22.688 -10.597 -18.821 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -24.924 -10.562 -17.130 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -24.624 -8.866 -17.451 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -27.066 -9.046 -19.019 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -25.164 -11.027 -22.251 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -27.263 -9.794 -21.507 1.00 0.00 H new ATOM 891 N HIS A 66 -22.294 -7.976 -18.732 1.00 0.00 N ATOM 892 CA HIS A 66 -21.610 -6.687 -18.717 1.00 0.00 C ATOM 893 C HIS A 66 -22.349 -5.690 -17.831 1.00 0.00 C ATOM 894 O HIS A 66 -21.905 -4.556 -17.650 1.00 0.00 O ATOM 895 CB HIS A 66 -21.488 -6.133 -20.139 1.00 0.00 C ATOM 896 CG HIS A 66 -20.090 -6.168 -20.680 1.00 0.00 C ATOM 897 ND1 HIS A 66 -19.630 -5.281 -21.631 1.00 0.00 N ATOM 898 CD2 HIS A 66 -19.049 -6.989 -20.402 1.00 0.00 C ATOM 899 CE1 HIS A 66 -18.368 -5.555 -21.913 1.00 0.00 C ATOM 900 NE2 HIS A 66 -17.993 -6.587 -21.180 1.00 0.00 N ATOM 0 H HIS A 66 -22.851 -8.148 -19.569 1.00 0.00 H new ATOM 0 HA HIS A 66 -20.611 -6.838 -18.308 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -22.139 -6.706 -20.800 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -21.847 -5.104 -20.151 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -19.050 -7.808 -19.698 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -17.749 -5.025 -22.622 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -17.068 -7.016 -21.190 1.00 0.00 H new ATOM 909 N HIS A 67 -23.479 -6.121 -17.277 1.00 0.00 N ATOM 910 CA HIS A 67 -24.281 -5.268 -16.407 1.00 0.00 C ATOM 911 C HIS A 67 -24.378 -5.860 -15.005 1.00 0.00 C ATOM 912 O HIS A 67 -24.276 -7.098 -14.877 1.00 0.00 O ATOM 913 CB HIS A 67 -25.682 -5.078 -16.992 1.00 0.00 C ATOM 914 CG HIS A 67 -25.749 -4.048 -18.077 1.00 0.00 C ATOM 915 ND1 HIS A 67 -26.736 -4.034 -19.041 1.00 0.00 N ATOM 916 CD2 HIS A 67 -24.947 -2.989 -18.349 1.00 0.00 C ATOM 917 CE1 HIS A 67 -26.538 -3.014 -19.857 1.00 0.00 C ATOM 918 NE2 HIS A 67 -25.460 -2.365 -19.459 1.00 0.00 N ATOM 919 OXT HIS A 67 -24.557 -5.080 -14.046 1.00 0.00 O ATOM 0 H HIS A 67 -23.860 -7.057 -17.416 1.00 0.00 H new ATOM 0 HA HIS A 67 -23.790 -4.297 -16.339 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -26.033 -6.031 -17.387 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -26.365 -4.794 -16.191 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -24.068 -2.692 -17.796 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -27.154 -2.755 -20.706 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -25.071 -1.534 -19.904 1.00 0.00 H new TER 928 HIS A 67