USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.169 K(o=-0.17,f=-2.1!) USER MOD Single : A 20 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.32) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot -91:sc= 0.109 USER MOD Single : A 39 MET CE :methyl 144:sc= -0.687 (180deg=-2.14) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 15:sc= -0.396 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.116 17.089 0.922 1.00 0.00 N ATOM 2 CA MET A 1 -20.868 16.969 0.120 1.00 0.00 C ATOM 3 C MET A 1 -19.813 16.150 0.865 1.00 0.00 C ATOM 4 O MET A 1 -19.409 16.505 1.974 1.00 0.00 O ATOM 5 CB MET A 1 -20.339 18.378 -0.174 1.00 0.00 C ATOM 6 CG MET A 1 -19.458 18.461 -1.411 1.00 0.00 C ATOM 7 SD MET A 1 -18.311 19.852 -1.352 1.00 0.00 S ATOM 8 CE MET A 1 -17.815 19.956 -3.069 1.00 0.00 C ATOM 0 H1 MET A 1 -22.815 17.649 0.394 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.501 16.141 1.109 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.905 17.561 1.824 1.00 0.00 H new ATOM 0 HA MET A 1 -21.088 16.450 -0.813 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.185 19.055 -0.297 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.772 18.730 0.688 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.894 17.534 -1.514 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.088 18.551 -2.296 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.104 20.773 -3.193 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.348 19.019 -3.370 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.691 20.140 -3.690 1.00 0.00 H new ATOM 20 N VAL A 2 -19.377 15.051 0.249 1.00 0.00 N ATOM 21 CA VAL A 2 -18.372 14.178 0.852 1.00 0.00 C ATOM 22 C VAL A 2 -16.974 14.795 0.761 1.00 0.00 C ATOM 23 O VAL A 2 -16.661 15.509 -0.195 1.00 0.00 O ATOM 24 CB VAL A 2 -18.372 12.781 0.188 1.00 0.00 C ATOM 25 CG1 VAL A 2 -18.020 12.879 -1.291 1.00 0.00 C ATOM 26 CG2 VAL A 2 -17.421 11.838 0.914 1.00 0.00 C ATOM 0 H VAL A 2 -19.705 14.745 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 2 -18.635 14.065 1.904 1.00 0.00 H new ATOM 0 HB VAL A 2 -19.379 12.371 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -18.027 11.883 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -18.752 13.507 -1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -17.028 13.318 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -17.437 10.861 0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -16.410 12.243 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -17.735 11.733 1.953 1.00 0.00 H new ATOM 36 N SER A 3 -16.142 14.520 1.766 1.00 0.00 N ATOM 37 CA SER A 3 -14.782 15.050 1.810 1.00 0.00 C ATOM 38 C SER A 3 -13.780 14.066 1.199 1.00 0.00 C ATOM 39 O SER A 3 -13.013 13.419 1.917 1.00 0.00 O ATOM 40 CB SER A 3 -14.392 15.372 3.257 1.00 0.00 C ATOM 41 OG SER A 3 -15.173 16.438 3.771 1.00 0.00 O ATOM 0 H SER A 3 -16.389 13.931 2.562 1.00 0.00 H new ATOM 0 HA SER A 3 -14.756 15.965 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.526 14.487 3.879 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.336 15.637 3.302 1.00 0.00 H new ATOM 0 HG SER A 3 -14.906 16.623 4.696 1.00 0.00 H new ATOM 47 N THR A 4 -13.788 13.964 -0.131 1.00 0.00 N ATOM 48 CA THR A 4 -12.877 13.065 -0.844 1.00 0.00 C ATOM 49 C THR A 4 -12.582 13.593 -2.248 1.00 0.00 C ATOM 50 O THR A 4 -13.298 14.457 -2.757 1.00 0.00 O ATOM 51 CB THR A 4 -13.468 11.652 -0.929 1.00 0.00 C ATOM 52 OG1 THR A 4 -14.878 11.697 -1.067 1.00 0.00 O ATOM 53 CG2 THR A 4 -13.151 10.801 0.283 1.00 0.00 C ATOM 0 H THR A 4 -14.415 14.493 -0.737 1.00 0.00 H new ATOM 0 HA THR A 4 -11.942 13.022 -0.285 1.00 0.00 H new ATOM 0 HB THR A 4 -13.005 11.200 -1.806 1.00 0.00 H new ATOM 0 HG1 THR A 4 -15.231 10.784 -1.121 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.597 9.814 0.161 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.070 10.701 0.385 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.557 11.275 1.177 1.00 0.00 H new ATOM 61 N TYR A 5 -11.523 13.071 -2.869 1.00 0.00 N ATOM 62 CA TYR A 5 -11.138 13.495 -4.215 1.00 0.00 C ATOM 63 C TYR A 5 -11.441 12.406 -5.243 1.00 0.00 C ATOM 64 O TYR A 5 -12.381 12.528 -6.032 1.00 0.00 O ATOM 65 CB TYR A 5 -9.646 13.858 -4.260 1.00 0.00 C ATOM 66 CG TYR A 5 -9.354 15.333 -4.056 1.00 0.00 C ATOM 67 CD1 TYR A 5 -9.934 16.041 -3.010 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.492 16.015 -4.910 1.00 0.00 C ATOM 69 CE1 TYR A 5 -9.664 17.384 -2.820 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.218 17.357 -4.726 1.00 0.00 C ATOM 71 CZ TYR A 5 -8.806 18.037 -3.680 1.00 0.00 C ATOM 72 OH TYR A 5 -8.534 19.375 -3.492 1.00 0.00 O ATOM 0 H TYR A 5 -10.919 12.357 -2.463 1.00 0.00 H new ATOM 0 HA TYR A 5 -11.725 14.378 -4.466 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -9.122 13.287 -3.493 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -9.238 13.549 -5.222 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -10.607 15.534 -2.334 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.029 15.486 -5.730 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -10.123 17.919 -2.002 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.547 17.871 -5.398 1.00 0.00 H new ATOM 0 HH TYR A 5 -7.911 19.682 -4.183 1.00 0.00 H new ATOM 82 N ASP A 6 -10.630 11.349 -5.234 1.00 0.00 N ATOM 83 CA ASP A 6 -10.796 10.237 -6.169 1.00 0.00 C ATOM 84 C ASP A 6 -10.497 8.893 -5.499 1.00 0.00 C ATOM 85 O ASP A 6 -9.859 8.840 -4.444 1.00 0.00 O ATOM 86 CB ASP A 6 -9.882 10.431 -7.385 1.00 0.00 C ATOM 87 CG ASP A 6 -8.409 10.357 -7.026 1.00 0.00 C ATOM 88 OD1 ASP A 6 -7.913 11.284 -6.351 1.00 0.00 O ATOM 89 OD2 ASP A 6 -7.753 9.371 -7.422 1.00 0.00 O ATOM 0 H ASP A 6 -9.849 11.239 -4.587 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.836 10.226 -6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.109 9.669 -8.131 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.093 11.398 -7.843 1.00 0.00 H new ATOM 94 N GLU A 7 -10.963 7.813 -6.128 1.00 0.00 N ATOM 95 CA GLU A 7 -10.757 6.463 -5.609 1.00 0.00 C ATOM 96 C GLU A 7 -9.714 5.710 -6.439 1.00 0.00 C ATOM 97 O GLU A 7 -9.974 5.331 -7.583 1.00 0.00 O ATOM 98 CB GLU A 7 -12.083 5.698 -5.612 1.00 0.00 C ATOM 99 CG GLU A 7 -11.996 4.307 -5.004 1.00 0.00 C ATOM 100 CD GLU A 7 -12.843 3.295 -5.750 1.00 0.00 C ATOM 101 OE1 GLU A 7 -12.348 2.725 -6.745 1.00 0.00 O ATOM 102 OE2 GLU A 7 -14.002 3.075 -5.341 1.00 0.00 O ATOM 0 H GLU A 7 -11.488 7.849 -7.002 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.387 6.540 -4.587 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.826 6.277 -5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.439 5.613 -6.639 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.957 3.978 -5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.317 4.348 -3.963 1.00 0.00 H new ATOM 109 N ILE A 8 -8.534 5.495 -5.854 1.00 0.00 N ATOM 110 CA ILE A 8 -7.452 4.787 -6.537 1.00 0.00 C ATOM 111 C ILE A 8 -7.470 3.293 -6.203 1.00 0.00 C ATOM 112 O ILE A 8 -7.896 2.894 -5.117 1.00 0.00 O ATOM 113 CB ILE A 8 -6.069 5.380 -6.176 1.00 0.00 C ATOM 114 CG1 ILE A 8 -6.089 6.906 -6.319 1.00 0.00 C ATOM 115 CG2 ILE A 8 -4.979 4.777 -7.057 1.00 0.00 C ATOM 116 CD1 ILE A 8 -6.362 7.640 -5.021 1.00 0.00 C ATOM 0 H ILE A 8 -8.304 5.802 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.617 4.913 -7.607 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.848 5.131 -5.138 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.130 7.237 -6.717 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.850 7.183 -7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.014 5.207 -6.788 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.949 3.697 -6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -5.194 4.996 -8.103 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -6.360 8.715 -5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.334 7.340 -4.631 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.588 7.394 -4.294 1.00 0.00 H new ATOM 128 N GLU A 9 -7.007 2.472 -7.148 1.00 0.00 N ATOM 129 CA GLU A 9 -6.972 1.022 -6.964 1.00 0.00 C ATOM 130 C GLU A 9 -5.603 0.557 -6.471 1.00 0.00 C ATOM 131 O GLU A 9 -4.573 1.134 -6.831 1.00 0.00 O ATOM 132 CB GLU A 9 -7.320 0.316 -8.278 1.00 0.00 C ATOM 133 CG GLU A 9 -7.634 -1.165 -8.114 1.00 0.00 C ATOM 134 CD GLU A 9 -8.790 -1.623 -8.985 1.00 0.00 C ATOM 135 OE1 GLU A 9 -8.544 -1.988 -10.154 1.00 0.00 O ATOM 136 OE2 GLU A 9 -9.940 -1.618 -8.497 1.00 0.00 O ATOM 0 H GLU A 9 -6.651 2.789 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.711 0.762 -6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.179 0.812 -8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.486 0.427 -8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.747 -1.749 -8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.870 -1.368 -7.069 1.00 0.00 H new ATOM 143 N ILE A 10 -5.601 -0.499 -5.651 1.00 0.00 N ATOM 144 CA ILE A 10 -4.361 -1.058 -5.107 1.00 0.00 C ATOM 145 C ILE A 10 -3.429 -1.541 -6.222 1.00 0.00 C ATOM 146 O ILE A 10 -2.206 -1.460 -6.094 1.00 0.00 O ATOM 147 CB ILE A 10 -4.642 -2.218 -4.119 1.00 0.00 C ATOM 148 CG1 ILE A 10 -3.340 -2.701 -3.472 1.00 0.00 C ATOM 149 CG2 ILE A 10 -5.352 -3.375 -4.815 1.00 0.00 C ATOM 150 CD1 ILE A 10 -3.494 -3.081 -2.015 1.00 0.00 C ATOM 0 H ILE A 10 -6.446 -0.984 -5.350 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.867 -0.253 -4.563 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.301 -1.840 -3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.966 -3.562 -4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.588 -1.916 -3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.536 -4.174 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.302 -3.027 -5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.727 -3.752 -5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.533 -3.413 -1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.838 -2.216 -1.448 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.222 -3.888 -1.924 1.00 0.00 H new ATOM 162 N GLU A 11 -4.016 -2.035 -7.317 1.00 0.00 N ATOM 163 CA GLU A 11 -3.238 -2.520 -8.457 1.00 0.00 C ATOM 164 C GLU A 11 -2.370 -1.403 -9.040 1.00 0.00 C ATOM 165 O GLU A 11 -1.251 -1.649 -9.492 1.00 0.00 O ATOM 166 CB GLU A 11 -4.167 -3.076 -9.543 1.00 0.00 C ATOM 167 CG GLU A 11 -4.562 -4.532 -9.328 1.00 0.00 C ATOM 168 CD GLU A 11 -5.288 -5.131 -10.521 1.00 0.00 C ATOM 169 OE1 GLU A 11 -6.226 -4.485 -11.036 1.00 0.00 O ATOM 170 OE2 GLU A 11 -4.920 -6.250 -10.938 1.00 0.00 O ATOM 0 H GLU A 11 -5.026 -2.109 -7.436 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.586 -3.319 -8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.070 -2.466 -9.583 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.676 -2.982 -10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.667 -5.119 -9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.200 -4.604 -8.447 1.00 0.00 H new ATOM 177 N ASP A 12 -2.890 -0.173 -9.020 1.00 0.00 N ATOM 178 CA ASP A 12 -2.159 0.978 -9.542 1.00 0.00 C ATOM 179 C ASP A 12 -1.434 1.732 -8.421 1.00 0.00 C ATOM 180 O ASP A 12 -1.350 2.963 -8.439 1.00 0.00 O ATOM 181 CB ASP A 12 -3.112 1.921 -10.283 1.00 0.00 C ATOM 182 CG ASP A 12 -2.452 2.585 -11.475 1.00 0.00 C ATOM 183 OD1 ASP A 12 -2.234 1.894 -12.493 1.00 0.00 O ATOM 184 OD2 ASP A 12 -2.149 3.794 -11.391 1.00 0.00 O ATOM 0 H ASP A 12 -3.814 0.048 -8.648 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.408 0.609 -10.241 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.985 1.362 -10.619 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.470 2.687 -9.595 1.00 0.00 H new ATOM 189 N MET A 13 -0.906 0.985 -7.449 1.00 0.00 N ATOM 190 CA MET A 13 -0.185 1.579 -6.326 1.00 0.00 C ATOM 191 C MET A 13 1.220 0.991 -6.213 1.00 0.00 C ATOM 192 O MET A 13 1.427 -0.196 -6.475 1.00 0.00 O ATOM 193 CB MET A 13 -0.959 1.352 -5.024 1.00 0.00 C ATOM 194 CG MET A 13 -0.864 2.509 -4.043 1.00 0.00 C ATOM 195 SD MET A 13 -1.702 2.162 -2.484 1.00 0.00 S ATOM 196 CE MET A 13 -2.178 3.810 -1.968 1.00 0.00 C ATOM 0 H MET A 13 -0.965 -0.033 -7.419 1.00 0.00 H new ATOM 0 HA MET A 13 -0.095 2.651 -6.503 1.00 0.00 H new ATOM 0 HB2 MET A 13 -2.008 1.175 -5.262 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.585 0.448 -4.543 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.185 2.730 -3.847 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.298 3.401 -4.495 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.707 3.755 -1.017 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.287 4.427 -1.852 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.830 4.253 -2.721 1.00 0.00 H new ATOM 206 N THR A 14 2.184 1.830 -5.822 1.00 0.00 N ATOM 207 CA THR A 14 3.574 1.395 -5.678 1.00 0.00 C ATOM 208 C THR A 14 3.712 0.359 -4.564 1.00 0.00 C ATOM 209 O THR A 14 3.131 0.511 -3.487 1.00 0.00 O ATOM 210 CB THR A 14 4.490 2.589 -5.393 1.00 0.00 C ATOM 211 OG1 THR A 14 4.264 3.634 -6.325 1.00 0.00 O ATOM 212 CG2 THR A 14 5.962 2.239 -5.445 1.00 0.00 C ATOM 0 H THR A 14 2.026 2.813 -5.600 1.00 0.00 H new ATOM 0 HA THR A 14 3.875 0.936 -6.620 1.00 0.00 H new ATOM 0 HB THR A 14 4.242 2.905 -4.380 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.858 4.387 -6.123 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.555 3.129 -5.234 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.180 1.473 -4.701 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.212 1.863 -6.437 1.00 0.00 H new ATOM 220 N PHE A 15 4.492 -0.688 -4.832 1.00 0.00 N ATOM 221 CA PHE A 15 4.716 -1.750 -3.856 1.00 0.00 C ATOM 222 C PHE A 15 6.114 -1.652 -3.252 1.00 0.00 C ATOM 223 O PHE A 15 7.108 -1.526 -3.971 1.00 0.00 O ATOM 224 CB PHE A 15 4.516 -3.133 -4.493 1.00 0.00 C ATOM 225 CG PHE A 15 5.206 -3.308 -5.823 1.00 0.00 C ATOM 226 CD1 PHE A 15 6.541 -3.681 -5.888 1.00 0.00 C ATOM 227 CD2 PHE A 15 4.516 -3.099 -7.008 1.00 0.00 C ATOM 228 CE1 PHE A 15 7.173 -3.840 -7.108 1.00 0.00 C ATOM 229 CE2 PHE A 15 5.143 -3.256 -8.229 1.00 0.00 C ATOM 230 CZ PHE A 15 6.473 -3.627 -8.280 1.00 0.00 C ATOM 0 H PHE A 15 4.979 -0.822 -5.718 1.00 0.00 H new ATOM 0 HA PHE A 15 3.983 -1.624 -3.059 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.882 -3.894 -3.804 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.448 -3.309 -4.625 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.093 -3.849 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.476 -2.810 -6.976 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.213 -4.130 -7.144 1.00 0.00 H new ATOM 0 HE2 PHE A 15 4.594 -3.089 -9.144 1.00 0.00 H new ATOM 0 HZ PHE A 15 6.964 -3.750 -9.234 1.00 0.00 H new ATOM 240 N GLU A 16 6.179 -1.713 -1.925 1.00 0.00 N ATOM 241 CA GLU A 16 7.447 -1.636 -1.209 1.00 0.00 C ATOM 242 C GLU A 16 7.690 -2.918 -0.412 1.00 0.00 C ATOM 243 O GLU A 16 7.262 -3.035 0.739 1.00 0.00 O ATOM 244 CB GLU A 16 7.459 -0.423 -0.275 1.00 0.00 C ATOM 245 CG GLU A 16 7.307 0.906 -1.000 1.00 0.00 C ATOM 246 CD GLU A 16 8.353 1.924 -0.588 1.00 0.00 C ATOM 247 OE1 GLU A 16 9.560 1.622 -0.712 1.00 0.00 O ATOM 248 OE2 GLU A 16 7.965 3.027 -0.147 1.00 0.00 O ATOM 0 H GLU A 16 5.363 -1.816 -1.322 1.00 0.00 H new ATOM 0 HA GLU A 16 8.248 -1.523 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.652 -0.526 0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.393 -0.416 0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.374 0.738 -2.075 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.315 1.311 -0.802 1.00 0.00 H new ATOM 255 N PRO A 17 8.382 -3.902 -1.019 1.00 0.00 N ATOM 256 CA PRO A 17 8.680 -5.181 -0.362 1.00 0.00 C ATOM 257 C PRO A 17 9.716 -5.051 0.759 1.00 0.00 C ATOM 258 O PRO A 17 9.872 -5.965 1.571 1.00 0.00 O ATOM 259 CB PRO A 17 9.228 -6.051 -1.495 1.00 0.00 C ATOM 260 CG PRO A 17 9.754 -5.092 -2.508 1.00 0.00 C ATOM 261 CD PRO A 17 8.924 -3.842 -2.392 1.00 0.00 C ATOM 0 HA PRO A 17 7.795 -5.593 0.123 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.015 -6.715 -1.136 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.447 -6.682 -1.919 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.807 -4.876 -2.326 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.683 -5.512 -3.511 1.00 0.00 H new ATOM 0 HD2 PRO A 17 9.527 -2.947 -2.545 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.127 -3.821 -3.136 1.00 0.00 H new ATOM 269 N GLU A 18 10.423 -3.915 0.794 1.00 0.00 N ATOM 270 CA GLU A 18 11.448 -3.664 1.809 1.00 0.00 C ATOM 271 C GLU A 18 10.919 -3.904 3.228 1.00 0.00 C ATOM 272 O GLU A 18 11.657 -4.371 4.098 1.00 0.00 O ATOM 273 CB GLU A 18 11.977 -2.228 1.683 1.00 0.00 C ATOM 274 CG GLU A 18 10.912 -1.155 1.878 1.00 0.00 C ATOM 275 CD GLU A 18 11.498 0.193 2.253 1.00 0.00 C ATOM 276 OE1 GLU A 18 12.061 0.864 1.363 1.00 0.00 O ATOM 277 OE2 GLU A 18 11.393 0.578 3.437 1.00 0.00 O ATOM 0 H GLU A 18 10.302 -3.153 0.127 1.00 0.00 H new ATOM 0 HA GLU A 18 12.261 -4.369 1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.768 -2.078 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.428 -2.103 0.699 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.334 -1.052 0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.219 -1.474 2.657 1.00 0.00 H new ATOM 284 N ASN A 19 9.642 -3.580 3.454 1.00 0.00 N ATOM 285 CA ASN A 19 9.022 -3.757 4.766 1.00 0.00 C ATOM 286 C ASN A 19 7.525 -4.071 4.645 1.00 0.00 C ATOM 287 O ASN A 19 6.752 -3.789 5.562 1.00 0.00 O ATOM 288 CB ASN A 19 9.230 -2.501 5.620 1.00 0.00 C ATOM 289 CG ASN A 19 10.471 -2.587 6.491 1.00 0.00 C ATOM 290 OD1 ASN A 19 10.895 -3.675 6.885 1.00 0.00 O ATOM 291 ND2 ASN A 19 11.062 -1.438 6.802 1.00 0.00 N ATOM 0 H ASN A 19 9.020 -3.194 2.744 1.00 0.00 H new ATOM 0 HA ASN A 19 9.502 -4.607 5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.308 -1.631 4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.356 -2.348 6.253 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.898 -1.436 7.387 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.680 -0.558 6.456 1.00 0.00 H new ATOM 298 N GLN A 20 7.125 -4.666 3.515 1.00 0.00 N ATOM 299 CA GLN A 20 5.727 -5.030 3.275 1.00 0.00 C ATOM 300 C GLN A 20 4.793 -3.819 3.431 1.00 0.00 C ATOM 301 O GLN A 20 4.004 -3.744 4.378 1.00 0.00 O ATOM 302 CB GLN A 20 5.300 -6.155 4.229 1.00 0.00 C ATOM 303 CG GLN A 20 6.204 -7.380 4.190 1.00 0.00 C ATOM 304 CD GLN A 20 6.427 -7.982 5.568 1.00 0.00 C ATOM 305 OE1 GLN A 20 6.807 -7.281 6.506 1.00 0.00 O ATOM 306 NE2 GLN A 20 6.193 -9.285 5.699 1.00 0.00 N ATOM 0 H GLN A 20 7.755 -4.906 2.750 1.00 0.00 H new ATOM 0 HA GLN A 20 5.647 -5.382 2.247 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.278 -5.765 5.247 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.283 -6.459 3.982 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.764 -8.132 3.535 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.166 -7.104 3.757 1.00 0.00 H new ATOM 0 HE21 GLN A 20 5.879 -9.830 4.896 1.00 0.00 H new ATOM 0 HE22 GLN A 20 6.328 -9.739 6.602 1.00 0.00 H new ATOM 315 N MET A 21 4.885 -2.879 2.489 1.00 0.00 N ATOM 316 CA MET A 21 4.047 -1.676 2.510 1.00 0.00 C ATOM 317 C MET A 21 3.810 -1.149 1.091 1.00 0.00 C ATOM 318 O MET A 21 4.474 -1.575 0.145 1.00 0.00 O ATOM 319 CB MET A 21 4.691 -0.584 3.375 1.00 0.00 C ATOM 320 CG MET A 21 6.054 -0.127 2.876 1.00 0.00 C ATOM 321 SD MET A 21 6.965 0.825 4.106 1.00 0.00 S ATOM 322 CE MET A 21 7.778 2.026 3.056 1.00 0.00 C ATOM 0 H MET A 21 5.531 -2.926 1.701 1.00 0.00 H new ATOM 0 HA MET A 21 3.084 -1.946 2.944 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.022 0.276 3.415 1.00 0.00 H new ATOM 0 HB3 MET A 21 4.794 -0.955 4.395 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.642 -0.999 2.590 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.923 0.478 1.979 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.384 2.693 3.668 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.417 1.510 2.340 1.00 0.00 H new ATOM 0 HE3 MET A 21 7.028 2.607 2.520 1.00 0.00 H new ATOM 332 N PHE A 22 2.861 -0.220 0.951 1.00 0.00 N ATOM 333 CA PHE A 22 2.543 0.365 -0.355 1.00 0.00 C ATOM 334 C PHE A 22 2.557 1.892 -0.287 1.00 0.00 C ATOM 335 O PHE A 22 2.225 2.478 0.748 1.00 0.00 O ATOM 336 CB PHE A 22 1.176 -0.123 -0.846 1.00 0.00 C ATOM 337 CG PHE A 22 1.184 -1.535 -1.372 1.00 0.00 C ATOM 338 CD1 PHE A 22 1.443 -2.604 -0.527 1.00 0.00 C ATOM 339 CD2 PHE A 22 0.931 -1.793 -2.711 1.00 0.00 C ATOM 340 CE1 PHE A 22 1.448 -3.900 -1.007 1.00 0.00 C ATOM 341 CE2 PHE A 22 0.936 -3.087 -3.196 1.00 0.00 C ATOM 342 CZ PHE A 22 1.196 -4.142 -2.343 1.00 0.00 C ATOM 0 H PHE A 22 2.301 0.143 1.723 1.00 0.00 H new ATOM 0 HA PHE A 22 3.308 0.042 -1.061 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.461 -0.055 -0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.824 0.545 -1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.643 -2.421 0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.728 -0.972 -3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.649 -4.723 -0.337 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.737 -3.273 -4.241 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.202 -5.154 -2.720 1.00 0.00 H new ATOM 352 N THR A 23 2.950 2.532 -1.393 1.00 0.00 N ATOM 353 CA THR A 23 3.016 3.995 -1.456 1.00 0.00 C ATOM 354 C THR A 23 2.493 4.532 -2.795 1.00 0.00 C ATOM 355 O THR A 23 2.264 3.768 -3.735 1.00 0.00 O ATOM 356 CB THR A 23 4.457 4.467 -1.232 1.00 0.00 C ATOM 357 OG1 THR A 23 5.326 3.918 -2.209 1.00 0.00 O ATOM 358 CG2 THR A 23 5.006 4.096 0.131 1.00 0.00 C ATOM 0 H THR A 23 3.226 2.061 -2.255 1.00 0.00 H new ATOM 0 HA THR A 23 2.376 4.388 -0.666 1.00 0.00 H new ATOM 0 HB THR A 23 4.417 5.554 -1.306 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.240 4.234 -2.048 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.029 4.460 0.223 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.389 4.548 0.907 1.00 0.00 H new ATOM 0 HG23 THR A 23 4.995 3.012 0.245 1.00 0.00 H new ATOM 366 N TYR A 24 2.308 5.856 -2.871 1.00 0.00 N ATOM 367 CA TYR A 24 1.815 6.506 -4.091 1.00 0.00 C ATOM 368 C TYR A 24 2.078 8.015 -4.052 1.00 0.00 C ATOM 369 O TYR A 24 1.863 8.658 -3.025 1.00 0.00 O ATOM 370 CB TYR A 24 0.311 6.247 -4.263 1.00 0.00 C ATOM 371 CG TYR A 24 -0.286 6.863 -5.514 1.00 0.00 C ATOM 372 CD1 TYR A 24 -0.709 8.188 -5.527 1.00 0.00 C ATOM 373 CD2 TYR A 24 -0.427 6.120 -6.681 1.00 0.00 C ATOM 374 CE1 TYR A 24 -1.254 8.753 -6.664 1.00 0.00 C ATOM 375 CE2 TYR A 24 -0.971 6.680 -7.823 1.00 0.00 C ATOM 376 CZ TYR A 24 -1.382 7.996 -7.809 1.00 0.00 C ATOM 377 OH TYR A 24 -1.923 8.557 -8.944 1.00 0.00 O ATOM 0 H TYR A 24 2.493 6.498 -2.101 1.00 0.00 H new ATOM 0 HA TYR A 24 2.352 6.081 -4.939 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.139 5.171 -4.284 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.216 6.637 -3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -0.610 8.786 -4.633 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.107 5.089 -6.696 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -1.578 9.783 -6.656 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.073 6.089 -8.721 1.00 0.00 H new ATOM 0 HH TYR A 24 -1.941 7.890 -9.662 1.00 0.00 H new ATOM 387 N PRO A 25 2.537 8.605 -5.178 1.00 0.00 N ATOM 388 CA PRO A 25 2.812 10.046 -5.258 1.00 0.00 C ATOM 389 C PRO A 25 1.537 10.881 -5.158 1.00 0.00 C ATOM 390 O PRO A 25 0.831 11.076 -6.150 1.00 0.00 O ATOM 391 CB PRO A 25 3.463 10.214 -6.636 1.00 0.00 C ATOM 392 CG PRO A 25 2.963 9.059 -7.432 1.00 0.00 C ATOM 393 CD PRO A 25 2.811 7.923 -6.459 1.00 0.00 C ATOM 0 HA PRO A 25 3.442 10.388 -4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 25 3.182 11.162 -7.094 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.551 10.205 -6.564 1.00 0.00 H new ATOM 0 HG2 PRO A 25 2.011 9.295 -7.908 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.662 8.801 -8.228 1.00 0.00 H new ATOM 0 HD2 PRO A 25 1.996 7.257 -6.742 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.715 7.316 -6.406 1.00 0.00 H new ATOM 401 N CYS A 26 1.247 11.368 -3.952 1.00 0.00 N ATOM 402 CA CYS A 26 0.058 12.183 -3.718 1.00 0.00 C ATOM 403 C CYS A 26 0.085 13.439 -4.588 1.00 0.00 C ATOM 404 O CYS A 26 1.140 14.050 -4.770 1.00 0.00 O ATOM 405 CB CYS A 26 -0.040 12.576 -2.239 1.00 0.00 C ATOM 406 SG CYS A 26 -1.522 13.549 -1.811 1.00 0.00 S ATOM 0 H CYS A 26 1.820 11.212 -3.123 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.817 11.590 -3.986 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.029 11.669 -1.634 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.846 13.150 -1.969 1.00 0.00 H new ATOM 411 N PRO A 27 -1.079 13.840 -5.140 1.00 0.00 N ATOM 412 CA PRO A 27 -1.190 15.031 -5.995 1.00 0.00 C ATOM 413 C PRO A 27 -0.572 16.281 -5.366 1.00 0.00 C ATOM 414 O PRO A 27 -0.127 17.182 -6.080 1.00 0.00 O ATOM 415 CB PRO A 27 -2.702 15.209 -6.154 1.00 0.00 C ATOM 416 CG PRO A 27 -3.258 13.840 -5.990 1.00 0.00 C ATOM 417 CD PRO A 27 -2.380 13.162 -4.975 1.00 0.00 C ATOM 0 HA PRO A 27 -0.653 14.901 -6.934 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.102 15.892 -5.405 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.952 15.625 -7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.293 13.876 -5.650 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.252 13.299 -6.936 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.769 13.281 -3.964 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.302 12.091 -5.163 1.00 0.00 H new ATOM 425 N CYS A 28 -0.548 16.335 -4.030 1.00 0.00 N ATOM 426 CA CYS A 28 0.017 17.483 -3.321 1.00 0.00 C ATOM 427 C CYS A 28 1.545 17.517 -3.446 1.00 0.00 C ATOM 428 O CYS A 28 2.138 18.590 -3.582 1.00 0.00 O ATOM 429 CB CYS A 28 -0.402 17.465 -1.844 1.00 0.00 C ATOM 430 SG CYS A 28 0.734 16.561 -0.742 1.00 0.00 S ATOM 0 H CYS A 28 -0.912 15.601 -3.423 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.377 18.388 -3.784 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.487 18.493 -1.492 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.393 17.019 -1.767 1.00 0.00 H new ATOM 435 N GLY A 29 2.177 16.340 -3.398 1.00 0.00 N ATOM 436 CA GLY A 29 3.626 16.266 -3.507 1.00 0.00 C ATOM 437 C GLY A 29 4.220 15.096 -2.741 1.00 0.00 C ATOM 438 O GLY A 29 5.102 14.401 -3.250 1.00 0.00 O ATOM 0 H GLY A 29 1.710 15.440 -3.286 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.902 16.183 -4.558 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.061 17.194 -3.136 1.00 0.00 H new ATOM 442 N ASP A 30 3.744 14.883 -1.515 1.00 0.00 N ATOM 443 CA ASP A 30 4.238 13.792 -0.673 1.00 0.00 C ATOM 444 C ASP A 30 3.832 12.427 -1.237 1.00 0.00 C ATOM 445 O ASP A 30 3.126 12.344 -2.244 1.00 0.00 O ATOM 446 CB ASP A 30 3.710 13.953 0.757 1.00 0.00 C ATOM 447 CG ASP A 30 4.704 13.485 1.802 1.00 0.00 C ATOM 448 OD1 ASP A 30 5.582 14.285 2.185 1.00 0.00 O ATOM 449 OD2 ASP A 30 4.605 12.317 2.235 1.00 0.00 O ATOM 0 H ASP A 30 3.016 15.451 -1.082 1.00 0.00 H new ATOM 0 HA ASP A 30 5.327 13.839 -0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.468 15.001 0.935 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.783 13.389 0.864 1.00 0.00 H new ATOM 454 N ARG A 31 4.284 11.356 -0.585 1.00 0.00 N ATOM 455 CA ARG A 31 3.968 10.001 -1.024 1.00 0.00 C ATOM 456 C ARG A 31 3.186 9.248 0.047 1.00 0.00 C ATOM 457 O ARG A 31 3.600 9.194 1.208 1.00 0.00 O ATOM 458 CB ARG A 31 5.249 9.236 -1.365 1.00 0.00 C ATOM 459 CG ARG A 31 5.621 9.285 -2.840 1.00 0.00 C ATOM 460 CD ARG A 31 6.585 8.166 -3.212 1.00 0.00 C ATOM 461 NE ARG A 31 7.944 8.661 -3.437 1.00 0.00 N ATOM 462 CZ ARG A 31 8.837 8.870 -2.465 1.00 0.00 C ATOM 463 NH1 ARG A 31 8.530 8.604 -1.198 1.00 0.00 N ATOM 464 NH2 ARG A 31 10.046 9.335 -2.762 1.00 0.00 N ATOM 0 H ARG A 31 4.870 11.403 0.249 1.00 0.00 H new ATOM 0 HA ARG A 31 3.349 10.075 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.072 9.645 -0.779 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.130 8.195 -1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.719 9.205 -3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.075 10.249 -3.070 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.598 7.421 -2.417 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.228 7.665 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 31 8.227 8.859 -4.397 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.608 8.238 -0.963 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.217 8.766 -0.462 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.292 9.532 -3.732 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.728 9.495 -2.020 1.00 0.00 H new ATOM 478 N PHE A 32 2.059 8.660 -0.353 1.00 0.00 N ATOM 479 CA PHE A 32 1.214 7.899 0.565 1.00 0.00 C ATOM 480 C PHE A 32 1.965 6.692 1.121 1.00 0.00 C ATOM 481 O PHE A 32 2.959 6.252 0.542 1.00 0.00 O ATOM 482 CB PHE A 32 -0.061 7.437 -0.144 1.00 0.00 C ATOM 483 CG PHE A 32 -1.204 8.401 -0.004 1.00 0.00 C ATOM 484 CD1 PHE A 32 -1.370 9.435 -0.912 1.00 0.00 C ATOM 485 CD2 PHE A 32 -2.109 8.276 1.038 1.00 0.00 C ATOM 486 CE1 PHE A 32 -2.419 10.325 -0.783 1.00 0.00 C ATOM 487 CE2 PHE A 32 -3.159 9.164 1.172 1.00 0.00 C ATOM 488 CZ PHE A 32 -3.314 10.190 0.260 1.00 0.00 C ATOM 0 H PHE A 32 1.710 8.697 -1.311 1.00 0.00 H new ATOM 0 HA PHE A 32 0.944 8.552 1.395 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.154 7.291 -1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.361 6.469 0.257 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.672 9.546 -1.729 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.992 7.475 1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.539 11.126 -1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.858 9.056 1.989 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.134 10.885 0.363 1.00 0.00 H new ATOM 498 N GLN A 33 1.486 6.161 2.245 1.00 0.00 N ATOM 499 CA GLN A 33 2.120 5.004 2.872 1.00 0.00 C ATOM 500 C GLN A 33 1.129 4.223 3.730 1.00 0.00 C ATOM 501 O GLN A 33 0.426 4.797 4.565 1.00 0.00 O ATOM 502 CB GLN A 33 3.311 5.447 3.727 1.00 0.00 C ATOM 503 CG GLN A 33 2.956 6.486 4.781 1.00 0.00 C ATOM 504 CD GLN A 33 4.155 7.301 5.221 1.00 0.00 C ATOM 505 OE1 GLN A 33 4.407 8.386 4.697 1.00 0.00 O ATOM 506 NE2 GLN A 33 4.904 6.783 6.188 1.00 0.00 N ATOM 0 H GLN A 33 0.665 6.512 2.738 1.00 0.00 H new ATOM 0 HA GLN A 33 2.472 4.348 2.076 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.738 4.573 4.220 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.084 5.854 3.075 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.192 7.155 4.384 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.523 5.986 5.647 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.659 5.880 6.595 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.724 7.288 6.524 1.00 0.00 H new ATOM 515 N ILE A 34 1.083 2.908 3.521 1.00 0.00 N ATOM 516 CA ILE A 34 0.186 2.038 4.275 1.00 0.00 C ATOM 517 C ILE A 34 0.693 0.596 4.270 1.00 0.00 C ATOM 518 O ILE A 34 0.914 0.007 3.208 1.00 0.00 O ATOM 519 CB ILE A 34 -1.256 2.089 3.718 1.00 0.00 C ATOM 520 CG1 ILE A 34 -2.205 1.265 4.596 1.00 0.00 C ATOM 521 CG2 ILE A 34 -1.297 1.602 2.275 1.00 0.00 C ATOM 522 CD1 ILE A 34 -3.583 1.877 4.735 1.00 0.00 C ATOM 0 H ILE A 34 1.659 2.422 2.833 1.00 0.00 H new ATOM 0 HA ILE A 34 0.170 2.405 5.301 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.590 3.126 3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.301 0.265 4.174 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.765 1.152 5.587 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.321 1.647 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.660 2.237 1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.939 0.574 2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.201 1.241 5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.498 2.866 5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.043 1.965 3.751 1.00 0.00 H new ATOM 534 N TYR A 35 0.879 0.034 5.463 1.00 0.00 N ATOM 535 CA TYR A 35 1.360 -1.338 5.598 1.00 0.00 C ATOM 536 C TYR A 35 0.221 -2.333 5.392 1.00 0.00 C ATOM 537 O TYR A 35 -0.951 -1.995 5.577 1.00 0.00 O ATOM 538 CB TYR A 35 1.994 -1.545 6.978 1.00 0.00 C ATOM 539 CG TYR A 35 3.354 -0.895 7.131 1.00 0.00 C ATOM 540 CD1 TYR A 35 3.482 0.487 7.217 1.00 0.00 C ATOM 541 CD2 TYR A 35 4.509 -1.665 7.192 1.00 0.00 C ATOM 542 CE1 TYR A 35 4.721 1.081 7.359 1.00 0.00 C ATOM 543 CE2 TYR A 35 5.751 -1.078 7.335 1.00 0.00 C ATOM 544 CZ TYR A 35 5.853 0.295 7.418 1.00 0.00 C ATOM 545 OH TYR A 35 7.089 0.883 7.562 1.00 0.00 O ATOM 0 H TYR A 35 0.704 0.508 6.349 1.00 0.00 H new ATOM 0 HA TYR A 35 2.115 -1.512 4.831 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.323 -1.146 7.739 1.00 0.00 H new ATOM 0 HB3 TYR A 35 2.090 -2.614 7.167 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.598 1.106 7.172 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.434 -2.740 7.127 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.803 2.156 7.424 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.639 -1.692 7.382 1.00 0.00 H new ATOM 0 HH TYR A 35 7.470 1.064 6.678 1.00 0.00 H new ATOM 555 N LEU A 36 0.572 -3.561 5.010 1.00 0.00 N ATOM 556 CA LEU A 36 -0.425 -4.608 4.782 1.00 0.00 C ATOM 557 C LEU A 36 -1.247 -4.860 6.045 1.00 0.00 C ATOM 558 O LEU A 36 -2.462 -5.040 5.974 1.00 0.00 O ATOM 559 CB LEU A 36 0.251 -5.907 4.327 1.00 0.00 C ATOM 560 CG LEU A 36 1.112 -5.784 3.068 1.00 0.00 C ATOM 561 CD1 LEU A 36 1.849 -7.087 2.790 1.00 0.00 C ATOM 562 CD2 LEU A 36 0.254 -5.382 1.875 1.00 0.00 C ATOM 0 H LEU A 36 1.536 -3.855 4.852 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.096 -4.267 3.994 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.875 -6.278 5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.520 -6.657 4.149 1.00 0.00 H new ATOM 0 HG LEU A 36 1.856 -5.005 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.455 -6.977 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.494 -7.328 3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.126 -7.890 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.881 -5.299 0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.513 -6.138 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.221 -4.421 2.075 1.00 0.00 H new ATOM 574 N ASP A 37 -0.577 -4.865 7.199 1.00 0.00 N ATOM 575 CA ASP A 37 -1.251 -5.088 8.479 1.00 0.00 C ATOM 576 C ASP A 37 -2.280 -3.992 8.767 1.00 0.00 C ATOM 577 O ASP A 37 -3.330 -4.262 9.351 1.00 0.00 O ATOM 578 CB ASP A 37 -0.233 -5.152 9.622 1.00 0.00 C ATOM 579 CG ASP A 37 -0.592 -6.205 10.652 1.00 0.00 C ATOM 580 OD1 ASP A 37 -0.383 -7.405 10.374 1.00 0.00 O ATOM 581 OD2 ASP A 37 -1.085 -5.830 11.736 1.00 0.00 O ATOM 0 H ASP A 37 0.430 -4.717 7.273 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.774 -6.042 8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.755 -5.367 9.215 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.173 -4.178 10.107 1.00 0.00 H new ATOM 586 N ASP A 38 -1.974 -2.756 8.355 1.00 0.00 N ATOM 587 CA ASP A 38 -2.877 -1.626 8.574 1.00 0.00 C ATOM 588 C ASP A 38 -4.180 -1.818 7.805 1.00 0.00 C ATOM 589 O ASP A 38 -5.260 -1.871 8.395 1.00 0.00 O ATOM 590 CB ASP A 38 -2.214 -0.311 8.144 1.00 0.00 C ATOM 591 CG ASP A 38 -1.224 0.214 9.166 1.00 0.00 C ATOM 592 OD1 ASP A 38 -1.643 0.518 10.302 1.00 0.00 O ATOM 593 OD2 ASP A 38 -0.027 0.327 8.826 1.00 0.00 O ATOM 0 H ASP A 38 -1.110 -2.516 7.870 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.100 -1.579 9.640 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.702 -0.462 7.194 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.985 0.440 7.974 1.00 0.00 H new ATOM 598 N MET A 39 -4.066 -1.926 6.482 1.00 0.00 N ATOM 599 CA MET A 39 -5.234 -2.116 5.624 1.00 0.00 C ATOM 600 C MET A 39 -5.977 -3.406 5.983 1.00 0.00 C ATOM 601 O MET A 39 -7.208 -3.448 5.950 1.00 0.00 O ATOM 602 CB MET A 39 -4.821 -2.123 4.146 1.00 0.00 C ATOM 603 CG MET A 39 -3.911 -3.279 3.752 1.00 0.00 C ATOM 604 SD MET A 39 -3.497 -3.267 1.996 1.00 0.00 S ATOM 605 CE MET A 39 -1.978 -2.319 2.009 1.00 0.00 C ATOM 0 H MET A 39 -3.178 -1.885 5.982 1.00 0.00 H new ATOM 0 HA MET A 39 -5.914 -1.280 5.789 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.720 -2.158 3.530 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.315 -1.185 3.918 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.993 -3.231 4.338 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.399 -4.222 4.000 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.295 -2.715 1.257 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.198 -1.275 1.784 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.514 -2.388 2.993 1.00 0.00 H new ATOM 615 N PHE A 40 -5.220 -4.450 6.334 1.00 0.00 N ATOM 616 CA PHE A 40 -5.803 -5.738 6.709 1.00 0.00 C ATOM 617 C PHE A 40 -6.725 -5.590 7.921 1.00 0.00 C ATOM 618 O PHE A 40 -7.834 -6.128 7.933 1.00 0.00 O ATOM 619 CB PHE A 40 -4.694 -6.752 7.011 1.00 0.00 C ATOM 620 CG PHE A 40 -5.189 -8.151 7.266 1.00 0.00 C ATOM 621 CD1 PHE A 40 -6.062 -8.770 6.383 1.00 0.00 C ATOM 622 CD2 PHE A 40 -4.773 -8.848 8.389 1.00 0.00 C ATOM 623 CE1 PHE A 40 -6.511 -10.057 6.619 1.00 0.00 C ATOM 624 CE2 PHE A 40 -5.218 -10.133 8.629 1.00 0.00 C ATOM 625 CZ PHE A 40 -6.088 -10.739 7.743 1.00 0.00 C ATOM 0 H PHE A 40 -4.201 -4.426 6.366 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.398 -6.099 5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.998 -6.772 6.173 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -4.134 -6.412 7.882 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.395 -8.241 5.502 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.092 -8.381 9.085 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.192 -10.528 5.925 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.886 -10.664 9.509 1.00 0.00 H new ATOM 0 HZ PHE A 40 -6.437 -11.744 7.929 1.00 0.00 H new ATOM 635 N GLU A 41 -6.260 -4.856 8.934 1.00 0.00 N ATOM 636 CA GLU A 41 -7.046 -4.634 10.149 1.00 0.00 C ATOM 637 C GLU A 41 -8.390 -3.977 9.821 1.00 0.00 C ATOM 638 O GLU A 41 -9.424 -4.359 10.373 1.00 0.00 O ATOM 639 CB GLU A 41 -6.267 -3.769 11.145 1.00 0.00 C ATOM 640 CG GLU A 41 -6.551 -4.121 12.599 1.00 0.00 C ATOM 641 CD GLU A 41 -6.505 -2.920 13.527 1.00 0.00 C ATOM 642 OE1 GLU A 41 -5.593 -2.078 13.373 1.00 0.00 O ATOM 643 OE2 GLU A 41 -7.379 -2.826 14.415 1.00 0.00 O ATOM 0 H GLU A 41 -5.345 -4.406 8.937 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.240 -5.606 10.604 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.200 -3.879 10.954 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.515 -2.721 10.977 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.534 -4.587 12.668 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.824 -4.860 12.936 1.00 0.00 H new ATOM 650 N GLY A 42 -8.368 -2.994 8.917 1.00 0.00 N ATOM 651 CA GLY A 42 -9.593 -2.311 8.530 1.00 0.00 C ATOM 652 C GLY A 42 -9.366 -0.864 8.125 1.00 0.00 C ATOM 653 O GLY A 42 -9.840 0.054 8.795 1.00 0.00 O ATOM 0 H GLY A 42 -7.526 -2.661 8.448 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.054 -2.846 7.700 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.298 -2.343 9.361 1.00 0.00 H new ATOM 657 N GLU A 43 -8.645 -0.663 7.021 1.00 0.00 N ATOM 658 CA GLU A 43 -8.358 0.681 6.518 1.00 0.00 C ATOM 659 C GLU A 43 -8.913 0.871 5.108 1.00 0.00 C ATOM 660 O GLU A 43 -9.114 -0.097 4.378 1.00 0.00 O ATOM 661 CB GLU A 43 -6.849 0.937 6.516 1.00 0.00 C ATOM 662 CG GLU A 43 -6.478 2.369 6.866 1.00 0.00 C ATOM 663 CD GLU A 43 -6.096 2.531 8.324 1.00 0.00 C ATOM 664 OE1 GLU A 43 -6.975 2.342 9.193 1.00 0.00 O ATOM 665 OE2 GLU A 43 -4.920 2.847 8.597 1.00 0.00 O ATOM 0 H GLU A 43 -8.249 -1.415 6.457 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.845 1.396 7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.373 0.262 7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.449 0.696 5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.646 2.689 6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.319 3.024 6.639 1.00 0.00 H new ATOM 672 N LYS A 44 -9.152 2.126 4.732 1.00 0.00 N ATOM 673 CA LYS A 44 -9.675 2.448 3.403 1.00 0.00 C ATOM 674 C LYS A 44 -9.463 3.927 3.069 1.00 0.00 C ATOM 675 O LYS A 44 -8.999 4.262 1.976 1.00 0.00 O ATOM 676 CB LYS A 44 -11.164 2.091 3.300 1.00 0.00 C ATOM 677 CG LYS A 44 -12.002 2.566 4.478 1.00 0.00 C ATOM 678 CD LYS A 44 -13.349 1.862 4.517 1.00 0.00 C ATOM 679 CE LYS A 44 -13.803 1.596 5.943 1.00 0.00 C ATOM 680 NZ LYS A 44 -14.528 0.300 6.064 1.00 0.00 N ATOM 0 H LYS A 44 -8.992 2.938 5.328 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.122 1.850 2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.567 2.523 2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.261 1.009 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.465 2.380 5.408 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.154 3.643 4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.094 2.472 4.006 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.283 0.919 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.937 1.590 6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.452 2.407 6.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.820 0.157 7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -15.369 0.314 5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.901 -0.477 5.772 1.00 0.00 H new ATOM 694 N VAL A 45 -9.798 4.806 4.018 1.00 0.00 N ATOM 695 CA VAL A 45 -9.638 6.244 3.826 1.00 0.00 C ATOM 696 C VAL A 45 -8.327 6.728 4.446 1.00 0.00 C ATOM 697 O VAL A 45 -8.285 7.116 5.617 1.00 0.00 O ATOM 698 CB VAL A 45 -10.819 7.035 4.434 1.00 0.00 C ATOM 699 CG1 VAL A 45 -10.727 8.510 4.061 1.00 0.00 C ATOM 700 CG2 VAL A 45 -12.152 6.447 3.987 1.00 0.00 C ATOM 0 H VAL A 45 -10.181 4.543 4.926 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.619 6.425 2.751 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.760 6.953 5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.567 9.049 4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.793 8.924 4.441 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.755 8.613 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.968 7.020 4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.223 6.491 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.220 5.409 4.313 1.00 0.00 H new ATOM 710 N ALA A 46 -7.257 6.697 3.652 1.00 0.00 N ATOM 711 CA ALA A 46 -5.939 7.122 4.117 1.00 0.00 C ATOM 712 C ALA A 46 -5.808 8.642 4.093 1.00 0.00 C ATOM 713 O ALA A 46 -6.304 9.304 3.177 1.00 0.00 O ATOM 714 CB ALA A 46 -4.848 6.480 3.269 1.00 0.00 C ATOM 0 H ALA A 46 -7.278 6.381 2.682 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.823 6.793 5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.871 6.805 3.626 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.919 5.395 3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.972 6.780 2.228 1.00 0.00 H new ATOM 720 N VAL A 47 -5.138 9.187 5.109 1.00 0.00 N ATOM 721 CA VAL A 47 -4.939 10.630 5.214 1.00 0.00 C ATOM 722 C VAL A 47 -3.481 11.011 4.978 1.00 0.00 C ATOM 723 O VAL A 47 -2.575 10.473 5.617 1.00 0.00 O ATOM 724 CB VAL A 47 -5.389 11.172 6.591 1.00 0.00 C ATOM 725 CG1 VAL A 47 -6.906 11.188 6.686 1.00 0.00 C ATOM 726 CG2 VAL A 47 -4.784 10.358 7.732 1.00 0.00 C ATOM 0 H VAL A 47 -4.724 8.649 5.871 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.557 11.083 4.439 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.025 12.195 6.685 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.205 11.572 7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.313 11.828 5.903 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.289 10.175 6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.119 10.764 8.686 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.103 9.319 7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.697 10.409 7.678 1.00 0.00 H new ATOM 736 N CYS A 48 -3.265 11.946 4.056 1.00 0.00 N ATOM 737 CA CYS A 48 -1.917 12.409 3.732 1.00 0.00 C ATOM 738 C CYS A 48 -1.352 13.269 4.863 1.00 0.00 C ATOM 739 O CYS A 48 -2.049 14.132 5.401 1.00 0.00 O ATOM 740 CB CYS A 48 -1.930 13.211 2.427 1.00 0.00 C ATOM 741 SG CYS A 48 -0.302 13.854 1.917 1.00 0.00 S ATOM 0 H CYS A 48 -4.006 12.398 3.520 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.279 11.534 3.608 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.322 12.578 1.631 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.619 14.049 2.537 1.00 0.00 H new ATOM 746 N PRO A 49 -0.077 13.045 5.242 1.00 0.00 N ATOM 747 CA PRO A 49 0.576 13.803 6.311 1.00 0.00 C ATOM 748 C PRO A 49 1.168 15.138 5.833 1.00 0.00 C ATOM 749 O PRO A 49 2.028 15.714 6.505 1.00 0.00 O ATOM 750 CB PRO A 49 1.682 12.852 6.762 1.00 0.00 C ATOM 751 CG PRO A 49 2.058 12.095 5.532 1.00 0.00 C ATOM 752 CD PRO A 49 0.827 12.033 4.660 1.00 0.00 C ATOM 0 HA PRO A 49 -0.123 14.089 7.097 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.534 13.399 7.166 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.332 12.182 7.547 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.877 12.590 5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.402 11.092 5.786 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.063 12.260 3.620 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.377 11.040 4.675 1.00 0.00 H new ATOM 760 N SER A 50 0.702 15.630 4.680 1.00 0.00 N ATOM 761 CA SER A 50 1.183 16.896 4.132 1.00 0.00 C ATOM 762 C SER A 50 0.013 17.822 3.809 1.00 0.00 C ATOM 763 O SER A 50 -0.064 18.938 4.326 1.00 0.00 O ATOM 764 CB SER A 50 2.027 16.660 2.875 1.00 0.00 C ATOM 765 OG SER A 50 2.944 17.723 2.673 1.00 0.00 O ATOM 0 H SER A 50 -0.007 15.168 4.111 1.00 0.00 H new ATOM 0 HA SER A 50 1.809 17.372 4.887 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.570 15.719 2.968 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.375 16.567 2.007 1.00 0.00 H new ATOM 0 HG SER A 50 3.473 17.550 1.866 1.00 0.00 H new ATOM 771 N CYS A 51 -0.898 17.353 2.953 1.00 0.00 N ATOM 772 CA CYS A 51 -2.066 18.146 2.567 1.00 0.00 C ATOM 773 C CYS A 51 -3.313 17.745 3.364 1.00 0.00 C ATOM 774 O CYS A 51 -4.274 18.514 3.446 1.00 0.00 O ATOM 775 CB CYS A 51 -2.336 18.008 1.064 1.00 0.00 C ATOM 776 SG CYS A 51 -2.958 16.372 0.556 1.00 0.00 S ATOM 0 H CYS A 51 -0.849 16.433 2.516 1.00 0.00 H new ATOM 0 HA CYS A 51 -1.843 19.188 2.796 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.060 18.767 0.766 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.414 18.217 0.521 1.00 0.00 H new ATOM 781 N SER A 52 -3.297 16.541 3.947 1.00 0.00 N ATOM 782 CA SER A 52 -4.428 16.045 4.732 1.00 0.00 C ATOM 783 C SER A 52 -5.644 15.782 3.836 1.00 0.00 C ATOM 784 O SER A 52 -6.786 16.054 4.216 1.00 0.00 O ATOM 785 CB SER A 52 -4.782 17.041 5.843 1.00 0.00 C ATOM 786 OG SER A 52 -5.268 16.371 6.993 1.00 0.00 O ATOM 0 H SER A 52 -2.511 15.893 3.889 1.00 0.00 H new ATOM 0 HA SER A 52 -4.137 15.100 5.191 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.901 17.627 6.105 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.535 17.742 5.481 1.00 0.00 H new ATOM 0 HG SER A 52 -5.485 17.028 7.687 1.00 0.00 H new ATOM 792 N LEU A 53 -5.384 15.245 2.644 1.00 0.00 N ATOM 793 CA LEU A 53 -6.439 14.936 1.685 1.00 0.00 C ATOM 794 C LEU A 53 -6.935 13.501 1.873 1.00 0.00 C ATOM 795 O LEU A 53 -6.135 12.570 1.991 1.00 0.00 O ATOM 796 CB LEU A 53 -5.916 15.144 0.260 1.00 0.00 C ATOM 797 CG LEU A 53 -6.939 14.945 -0.858 1.00 0.00 C ATOM 798 CD1 LEU A 53 -6.672 15.916 -1.998 1.00 0.00 C ATOM 799 CD2 LEU A 53 -6.904 13.510 -1.359 1.00 0.00 C ATOM 0 H LEU A 53 -4.445 15.015 2.320 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.281 15.607 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.514 16.154 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.086 14.458 0.094 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.934 15.146 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.408 15.762 -2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.744 16.939 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.672 15.743 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.638 13.384 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.910 13.283 -1.743 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.139 12.832 -0.538 1.00 0.00 H new ATOM 811 N MET A 54 -8.259 13.331 1.907 1.00 0.00 N ATOM 812 CA MET A 54 -8.858 12.008 2.089 1.00 0.00 C ATOM 813 C MET A 54 -9.049 11.299 0.749 1.00 0.00 C ATOM 814 O MET A 54 -9.601 11.872 -0.194 1.00 0.00 O ATOM 815 CB MET A 54 -10.207 12.119 2.809 1.00 0.00 C ATOM 816 CG MET A 54 -10.100 12.533 4.270 1.00 0.00 C ATOM 817 SD MET A 54 -11.691 13.019 4.967 1.00 0.00 S ATOM 818 CE MET A 54 -11.522 12.425 6.648 1.00 0.00 C ATOM 0 H MET A 54 -8.934 14.090 1.811 1.00 0.00 H new ATOM 0 HA MET A 54 -8.174 11.419 2.700 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.829 12.842 2.282 1.00 0.00 H new ATOM 0 HB3 MET A 54 -10.718 11.158 2.751 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.690 11.706 4.850 1.00 0.00 H new ATOM 0 HG3 MET A 54 -9.399 13.363 4.359 1.00 0.00 H new ATOM 0 HE1 MET A 54 -12.430 12.652 7.207 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.362 11.347 6.639 1.00 0.00 H new ATOM 0 HE3 MET A 54 -10.671 12.914 7.123 1.00 0.00 H new ATOM 828 N ILE A 55 -8.595 10.045 0.676 1.00 0.00 N ATOM 829 CA ILE A 55 -8.720 9.249 -0.546 1.00 0.00 C ATOM 830 C ILE A 55 -9.241 7.844 -0.247 1.00 0.00 C ATOM 831 O ILE A 55 -8.901 7.250 0.779 1.00 0.00 O ATOM 832 CB ILE A 55 -7.375 9.117 -1.296 1.00 0.00 C ATOM 833 CG1 ILE A 55 -6.275 8.608 -0.356 1.00 0.00 C ATOM 834 CG2 ILE A 55 -6.974 10.444 -1.925 1.00 0.00 C ATOM 835 CD1 ILE A 55 -5.284 7.682 -1.030 1.00 0.00 C ATOM 0 H ILE A 55 -8.138 9.560 1.448 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.431 9.782 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.504 8.387 -2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.739 9.462 0.058 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -6.737 8.085 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -6.024 10.327 -2.447 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.741 10.758 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.869 11.199 -1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.535 7.361 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.808 6.810 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.794 8.208 -1.850 1.00 0.00 H new ATOM 847 N ASP A 56 -10.052 7.314 -1.162 1.00 0.00 N ATOM 848 CA ASP A 56 -10.609 5.971 -1.014 1.00 0.00 C ATOM 849 C ASP A 56 -9.841 4.982 -1.887 1.00 0.00 C ATOM 850 O ASP A 56 -9.968 4.997 -3.110 1.00 0.00 O ATOM 851 CB ASP A 56 -12.093 5.954 -1.399 1.00 0.00 C ATOM 852 CG ASP A 56 -12.872 7.101 -0.787 1.00 0.00 C ATOM 853 OD1 ASP A 56 -13.258 6.994 0.397 1.00 0.00 O ATOM 854 OD2 ASP A 56 -13.096 8.108 -1.492 1.00 0.00 O ATOM 0 H ASP A 56 -10.338 7.795 -2.015 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.514 5.677 0.031 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.183 5.998 -2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.535 5.010 -1.081 1.00 0.00 H new ATOM 859 N VAL A 57 -9.039 4.127 -1.258 1.00 0.00 N ATOM 860 CA VAL A 57 -8.254 3.140 -1.995 1.00 0.00 C ATOM 861 C VAL A 57 -8.816 1.731 -1.794 1.00 0.00 C ATOM 862 O VAL A 57 -8.839 1.211 -0.676 1.00 0.00 O ATOM 863 CB VAL A 57 -6.761 3.181 -1.588 1.00 0.00 C ATOM 864 CG1 VAL A 57 -6.581 2.846 -0.113 1.00 0.00 C ATOM 865 CG2 VAL A 57 -5.938 2.245 -2.465 1.00 0.00 C ATOM 0 H VAL A 57 -8.916 4.097 -0.246 1.00 0.00 H new ATOM 0 HA VAL A 57 -8.324 3.397 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.399 4.198 -1.742 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.522 2.883 0.142 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.126 3.569 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.966 1.845 0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.892 2.289 -2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.306 1.225 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.027 2.551 -3.507 1.00 0.00 H new ATOM 875 N VAL A 58 -9.273 1.118 -2.887 1.00 0.00 N ATOM 876 CA VAL A 58 -9.836 -0.226 -2.831 1.00 0.00 C ATOM 877 C VAL A 58 -8.725 -1.275 -2.794 1.00 0.00 C ATOM 878 O VAL A 58 -7.737 -1.181 -3.530 1.00 0.00 O ATOM 879 CB VAL A 58 -10.788 -0.495 -4.022 1.00 0.00 C ATOM 880 CG1 VAL A 58 -10.031 -0.476 -5.344 1.00 0.00 C ATOM 881 CG2 VAL A 58 -11.534 -1.810 -3.833 1.00 0.00 C ATOM 0 H VAL A 58 -9.263 1.533 -3.819 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.420 -0.298 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.525 0.307 -4.052 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.724 -0.668 -6.163 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -9.566 0.500 -5.483 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.260 -1.247 -5.333 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -12.197 -1.978 -4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.817 -2.628 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.122 -1.766 -2.917 1.00 0.00 H new ATOM 891 N PHE A 59 -8.888 -2.260 -1.914 1.00 0.00 N ATOM 892 CA PHE A 59 -7.903 -3.322 -1.750 1.00 0.00 C ATOM 893 C PHE A 59 -8.584 -4.662 -1.478 1.00 0.00 C ATOM 894 O PHE A 59 -9.790 -4.716 -1.219 1.00 0.00 O ATOM 895 CB PHE A 59 -6.958 -2.975 -0.594 1.00 0.00 C ATOM 896 CG PHE A 59 -7.628 -2.967 0.756 1.00 0.00 C ATOM 897 CD1 PHE A 59 -8.573 -2.000 1.076 1.00 0.00 C ATOM 898 CD2 PHE A 59 -7.309 -3.923 1.706 1.00 0.00 C ATOM 899 CE1 PHE A 59 -9.182 -1.991 2.316 1.00 0.00 C ATOM 900 CE2 PHE A 59 -7.915 -3.918 2.946 1.00 0.00 C ATOM 901 CZ PHE A 59 -8.852 -2.951 3.253 1.00 0.00 C ATOM 0 H PHE A 59 -9.699 -2.343 -1.301 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.333 -3.410 -2.675 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.138 -3.693 -0.579 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.519 -1.994 -0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.834 -1.247 0.347 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.577 -4.682 1.474 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -9.915 -1.234 2.553 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.656 -4.670 3.676 1.00 0.00 H new ATOM 0 HZ PHE A 59 -9.326 -2.945 4.224 1.00 0.00 H new ATOM 911 N ASP A 60 -7.803 -5.741 -1.528 1.00 0.00 N ATOM 912 CA ASP A 60 -8.328 -7.081 -1.279 1.00 0.00 C ATOM 913 C ASP A 60 -7.366 -7.900 -0.414 1.00 0.00 C ATOM 914 O ASP A 60 -6.234 -7.481 -0.158 1.00 0.00 O ATOM 915 CB ASP A 60 -8.586 -7.807 -2.604 1.00 0.00 C ATOM 916 CG ASP A 60 -9.857 -7.340 -3.288 1.00 0.00 C ATOM 917 OD1 ASP A 60 -9.803 -6.319 -4.008 1.00 0.00 O ATOM 918 OD2 ASP A 60 -10.905 -7.996 -3.107 1.00 0.00 O ATOM 0 H ASP A 60 -6.805 -5.712 -1.739 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.269 -6.976 -0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.739 -7.648 -3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.650 -8.879 -2.420 1.00 0.00 H new ATOM 923 N LYS A 61 -7.825 -9.075 0.031 1.00 0.00 N ATOM 924 CA LYS A 61 -7.010 -9.964 0.864 1.00 0.00 C ATOM 925 C LYS A 61 -6.329 -11.049 0.021 1.00 0.00 C ATOM 926 O LYS A 61 -5.949 -12.103 0.539 1.00 0.00 O ATOM 927 CB LYS A 61 -7.877 -10.606 1.953 1.00 0.00 C ATOM 928 CG LYS A 61 -8.435 -9.608 2.958 1.00 0.00 C ATOM 929 CD LYS A 61 -9.812 -10.029 3.453 1.00 0.00 C ATOM 930 CE LYS A 61 -10.010 -9.706 4.929 1.00 0.00 C ATOM 931 NZ LYS A 61 -10.574 -8.341 5.138 1.00 0.00 N ATOM 0 H LYS A 61 -8.758 -9.432 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.230 -9.365 1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.705 -11.135 1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.285 -11.351 2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.753 -9.522 3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.498 -8.622 2.497 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.579 -9.524 2.865 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.943 -11.100 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.677 -10.444 5.374 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.055 -9.785 5.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.691 -8.166 6.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.926 -7.633 4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.498 -8.271 4.666 1.00 0.00 H new ATOM 945 N GLU A 62 -6.162 -10.777 -1.276 1.00 0.00 N ATOM 946 CA GLU A 62 -5.513 -11.716 -2.186 1.00 0.00 C ATOM 947 C GLU A 62 -4.027 -11.390 -2.309 1.00 0.00 C ATOM 948 O GLU A 62 -3.176 -12.276 -2.201 1.00 0.00 O ATOM 949 CB GLU A 62 -6.179 -11.674 -3.564 1.00 0.00 C ATOM 950 CG GLU A 62 -7.443 -12.515 -3.652 1.00 0.00 C ATOM 951 CD GLU A 62 -7.577 -13.228 -4.982 1.00 0.00 C ATOM 952 OE1 GLU A 62 -6.965 -14.304 -5.143 1.00 0.00 O ATOM 953 OE2 GLU A 62 -8.294 -12.710 -5.864 1.00 0.00 O ATOM 0 H GLU A 62 -6.469 -9.910 -1.718 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.620 -12.722 -1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.422 -10.640 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.468 -12.021 -4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.442 -13.251 -2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.312 -11.875 -3.498 1.00 0.00 H new ATOM 960 N ASP A 63 -3.722 -10.109 -2.528 1.00 0.00 N ATOM 961 CA ASP A 63 -2.336 -9.663 -2.655 1.00 0.00 C ATOM 962 C ASP A 63 -1.596 -9.772 -1.323 1.00 0.00 C ATOM 963 O ASP A 63 -0.411 -10.090 -1.295 1.00 0.00 O ATOM 964 CB ASP A 63 -2.270 -8.221 -3.167 1.00 0.00 C ATOM 965 CG ASP A 63 -1.012 -7.958 -3.975 1.00 0.00 C ATOM 966 OD1 ASP A 63 0.078 -7.881 -3.369 1.00 0.00 O ATOM 967 OD2 ASP A 63 -1.118 -7.831 -5.212 1.00 0.00 O ATOM 0 H ASP A 63 -4.415 -9.366 -2.621 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.849 -10.317 -3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.145 -8.015 -3.783 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.307 -7.535 -2.321 1.00 0.00 H new ATOM 972 N LEU A 64 -2.301 -9.505 -0.222 1.00 0.00 N ATOM 973 CA LEU A 64 -1.700 -9.574 1.109 1.00 0.00 C ATOM 974 C LEU A 64 -1.060 -10.943 1.362 1.00 0.00 C ATOM 975 O LEU A 64 0.114 -11.022 1.712 1.00 0.00 O ATOM 976 CB LEU A 64 -2.745 -9.270 2.187 1.00 0.00 C ATOM 977 CG LEU A 64 -2.777 -7.815 2.666 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.829 -7.019 1.906 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.037 -7.752 4.165 1.00 0.00 C ATOM 0 H LEU A 64 -3.286 -9.240 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.914 -8.820 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.730 -9.531 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.558 -9.915 3.045 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.803 -7.369 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.834 -5.989 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.597 -7.033 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.810 -7.464 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.056 -6.711 4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.996 -8.219 4.388 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.245 -8.281 4.694 1.00 0.00 H new ATOM 991 N ALA A 65 -1.832 -12.016 1.175 1.00 0.00 N ATOM 992 CA ALA A 65 -1.324 -13.377 1.378 1.00 0.00 C ATOM 993 C ALA A 65 -0.139 -13.661 0.455 1.00 0.00 C ATOM 994 O ALA A 65 0.875 -14.219 0.882 1.00 0.00 O ATOM 995 CB ALA A 65 -2.430 -14.398 1.141 1.00 0.00 C ATOM 0 H ALA A 65 -2.809 -11.970 0.884 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.983 -13.460 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.037 -15.403 1.296 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.248 -14.217 1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.798 -14.306 0.119 1.00 0.00 H new ATOM 1001 N GLU A 66 -0.280 -13.267 -0.809 1.00 0.00 N ATOM 1002 CA GLU A 66 0.767 -13.467 -1.808 1.00 0.00 C ATOM 1003 C GLU A 66 2.024 -12.664 -1.458 1.00 0.00 C ATOM 1004 O GLU A 66 3.142 -13.178 -1.536 1.00 0.00 O ATOM 1005 CB GLU A 66 0.247 -13.066 -3.193 1.00 0.00 C ATOM 1006 CG GLU A 66 0.727 -13.972 -4.317 1.00 0.00 C ATOM 1007 CD GLU A 66 -0.347 -14.240 -5.356 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -1.105 -13.302 -5.690 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -0.429 -15.389 -5.841 1.00 0.00 O ATOM 0 H GLU A 66 -1.115 -12.804 -1.167 1.00 0.00 H new ATOM 0 HA GLU A 66 1.037 -14.523 -1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.843 -13.070 -3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.559 -12.043 -3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.590 -13.515 -4.802 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.063 -14.919 -3.896 1.00 0.00 H new ATOM 1016 N TYR A 67 1.829 -11.401 -1.074 1.00 0.00 N ATOM 1017 CA TYR A 67 2.939 -10.520 -0.716 1.00 0.00 C ATOM 1018 C TYR A 67 3.562 -10.904 0.629 1.00 0.00 C ATOM 1019 O TYR A 67 4.780 -10.863 0.780 1.00 0.00 O ATOM 1020 CB TYR A 67 2.474 -9.062 -0.678 1.00 0.00 C ATOM 1021 CG TYR A 67 3.508 -8.088 -1.196 1.00 0.00 C ATOM 1022 CD1 TYR A 67 4.024 -8.215 -2.480 1.00 0.00 C ATOM 1023 CD2 TYR A 67 3.973 -7.048 -0.402 1.00 0.00 C ATOM 1024 CE1 TYR A 67 4.972 -7.333 -2.958 1.00 0.00 C ATOM 1025 CE2 TYR A 67 4.921 -6.161 -0.874 1.00 0.00 C ATOM 1026 CZ TYR A 67 5.418 -6.308 -2.151 1.00 0.00 C ATOM 1027 OH TYR A 67 6.364 -5.425 -2.621 1.00 0.00 O ATOM 0 H TYR A 67 0.909 -10.966 -1.003 1.00 0.00 H new ATOM 0 HA TYR A 67 3.704 -10.635 -1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.564 -8.963 -1.270 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.218 -8.797 0.348 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.677 -9.017 -3.115 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.588 -6.931 0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.362 -7.445 -3.959 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.271 -5.356 -0.245 1.00 0.00 H new ATOM 0 HH TYR A 67 6.436 -5.510 -3.595 1.00 0.00 H new ATOM 1037 N TYR A 68 2.729 -11.275 1.601 1.00 0.00 N ATOM 1038 CA TYR A 68 3.224 -11.664 2.927 1.00 0.00 C ATOM 1039 C TYR A 68 4.112 -12.902 2.834 1.00 0.00 C ATOM 1040 O TYR A 68 5.110 -13.013 3.549 1.00 0.00 O ATOM 1041 CB TYR A 68 2.057 -11.925 3.890 1.00 0.00 C ATOM 1042 CG TYR A 68 2.427 -11.818 5.356 1.00 0.00 C ATOM 1043 CD1 TYR A 68 2.556 -10.578 5.972 1.00 0.00 C ATOM 1044 CD2 TYR A 68 2.637 -12.957 6.129 1.00 0.00 C ATOM 1045 CE1 TYR A 68 2.884 -10.475 7.310 1.00 0.00 C ATOM 1046 CE2 TYR A 68 2.963 -12.860 7.471 1.00 0.00 C ATOM 1047 CZ TYR A 68 3.085 -11.617 8.055 1.00 0.00 C ATOM 1048 OH TYR A 68 3.406 -11.516 9.390 1.00 0.00 O ATOM 0 H TYR A 68 1.715 -11.315 1.500 1.00 0.00 H new ATOM 0 HA TYR A 68 3.819 -10.838 3.316 1.00 0.00 H new ATOM 0 HB2 TYR A 68 1.258 -11.216 3.676 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.659 -12.921 3.699 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.397 -9.680 5.394 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.544 -13.932 5.674 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.983 -9.503 7.771 1.00 0.00 H new ATOM 0 HE2 TYR A 68 3.121 -13.753 8.057 1.00 0.00 H new ATOM 0 HH TYR A 68 3.513 -12.413 9.770 1.00 0.00 H new ATOM 1058 N GLU A 69 3.745 -13.825 1.943 1.00 0.00 N ATOM 1059 CA GLU A 69 4.514 -15.053 1.745 1.00 0.00 C ATOM 1060 C GLU A 69 5.762 -14.788 0.899 1.00 0.00 C ATOM 1061 O GLU A 69 6.795 -15.432 1.088 1.00 0.00 O ATOM 1062 CB GLU A 69 3.644 -16.126 1.080 1.00 0.00 C ATOM 1063 CG GLU A 69 2.731 -16.860 2.055 1.00 0.00 C ATOM 1064 CD GLU A 69 1.771 -17.811 1.366 1.00 0.00 C ATOM 1065 OE1 GLU A 69 0.904 -17.332 0.603 1.00 0.00 O ATOM 1066 OE2 GLU A 69 1.885 -19.035 1.593 1.00 0.00 O ATOM 0 H GLU A 69 2.920 -13.745 1.348 1.00 0.00 H new ATOM 0 HA GLU A 69 4.834 -15.413 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.035 -15.660 0.305 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.290 -16.850 0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.341 -17.419 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.161 -16.130 2.630 1.00 0.00 H new ATOM 1073 N GLU A 70 5.659 -13.840 -0.036 1.00 0.00 N ATOM 1074 CA GLU A 70 6.779 -13.499 -0.909 1.00 0.00 C ATOM 1075 C GLU A 70 7.278 -12.074 -0.651 1.00 0.00 C ATOM 1076 O GLU A 70 7.605 -11.343 -1.590 1.00 0.00 O ATOM 1077 CB GLU A 70 6.368 -13.657 -2.376 1.00 0.00 C ATOM 1078 CG GLU A 70 7.470 -14.222 -3.260 1.00 0.00 C ATOM 1079 CD GLU A 70 6.935 -14.862 -4.527 1.00 0.00 C ATOM 1080 OE1 GLU A 70 6.605 -16.066 -4.489 1.00 0.00 O ATOM 1081 OE2 GLU A 70 6.849 -14.161 -5.557 1.00 0.00 O ATOM 0 H GLU A 70 4.812 -13.297 -0.206 1.00 0.00 H new ATOM 0 HA GLU A 70 7.598 -14.184 -0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 70 5.498 -14.311 -2.432 1.00 0.00 H new ATOM 0 HB3 GLU A 70 6.063 -12.686 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.162 -13.423 -3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.039 -14.962 -2.696 1.00 0.00 H new ATOM 1088 N ALA A 71 7.338 -11.675 0.623 1.00 0.00 N ATOM 1089 CA ALA A 71 7.798 -10.336 0.979 1.00 0.00 C ATOM 1090 C ALA A 71 9.322 -10.236 0.942 1.00 0.00 C ATOM 1091 O ALA A 71 10.029 -11.222 1.167 1.00 0.00 O ATOM 1092 CB ALA A 71 7.280 -9.938 2.353 1.00 0.00 C ATOM 0 H ALA A 71 7.075 -12.258 1.418 1.00 0.00 H new ATOM 0 HA ALA A 71 7.398 -9.646 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.634 -8.937 2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.190 -9.946 2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.644 -10.645 3.098 1.00 0.00 H new ATOM 1098 N GLY A 72 9.816 -9.028 0.663 1.00 0.00 N ATOM 1099 CA GLY A 72 11.250 -8.793 0.603 1.00 0.00 C ATOM 1100 C GLY A 72 11.817 -8.267 1.913 1.00 0.00 C ATOM 1101 O GLY A 72 12.771 -7.487 1.910 1.00 0.00 O ATOM 0 H GLY A 72 9.243 -8.205 0.477 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.755 -9.723 0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 72 11.464 -8.079 -0.193 1.00 0.00 H new ATOM 1105 N ILE A 73 11.230 -8.696 3.033 1.00 0.00 N ATOM 1106 CA ILE A 73 11.679 -8.270 4.356 1.00 0.00 C ATOM 1107 C ILE A 73 12.864 -9.113 4.835 1.00 0.00 C ATOM 1108 O ILE A 73 13.774 -8.604 5.494 1.00 0.00 O ATOM 1109 CB ILE A 73 10.528 -8.337 5.392 1.00 0.00 C ATOM 1110 CG1 ILE A 73 10.981 -7.752 6.733 1.00 0.00 C ATOM 1111 CG2 ILE A 73 10.023 -9.767 5.569 1.00 0.00 C ATOM 1112 CD1 ILE A 73 9.875 -7.055 7.494 1.00 0.00 C ATOM 0 H ILE A 73 10.440 -9.341 3.047 1.00 0.00 H new ATOM 0 HA ILE A 73 12.002 -7.233 4.268 1.00 0.00 H new ATOM 0 HB ILE A 73 9.699 -7.738 5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 73 11.387 -8.553 7.351 1.00 0.00 H new ATOM 0 HG13 ILE A 73 11.791 -7.044 6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 73 9.216 -9.780 6.302 1.00 0.00 H new ATOM 0 HG22 ILE A 73 9.653 -10.143 4.615 1.00 0.00 H new ATOM 0 HG23 ILE A 73 10.839 -10.401 5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 73 10.269 -6.666 8.433 1.00 0.00 H new ATOM 0 HD12 ILE A 73 9.484 -6.232 6.896 1.00 0.00 H new ATOM 0 HD13 ILE A 73 9.074 -7.764 7.703 1.00 0.00 H new ATOM 1124 N HIS A 74 12.848 -10.402 4.488 1.00 0.00 N ATOM 1125 CA HIS A 74 13.919 -11.320 4.866 1.00 0.00 C ATOM 1126 C HIS A 74 15.046 -11.289 3.831 1.00 0.00 C ATOM 1127 O HIS A 74 14.798 -11.095 2.639 1.00 0.00 O ATOM 1128 CB HIS A 74 13.382 -12.750 5.021 1.00 0.00 C ATOM 1129 CG HIS A 74 12.676 -13.277 3.806 1.00 0.00 C ATOM 1130 ND1 HIS A 74 13.318 -13.972 2.801 1.00 0.00 N ATOM 1131 CD2 HIS A 74 11.375 -13.203 3.434 1.00 0.00 C ATOM 1132 CE1 HIS A 74 12.443 -14.300 1.866 1.00 0.00 C ATOM 1133 NE2 HIS A 74 11.256 -13.845 2.226 1.00 0.00 N ATOM 0 H HIS A 74 12.101 -10.833 3.944 1.00 0.00 H new ATOM 0 HA HIS A 74 14.318 -10.995 5.827 1.00 0.00 H new ATOM 0 HB2 HIS A 74 14.212 -13.414 5.261 1.00 0.00 H new ATOM 0 HB3 HIS A 74 12.696 -12.779 5.867 1.00 0.00 H new ATOM 0 HD2 HIS A 74 10.578 -12.727 3.986 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.661 -14.847 0.961 1.00 0.00 H new ATOM 0 HE2 HIS A 74 10.393 -13.953 1.694 1.00 0.00 H new ATOM 1142 N PRO A 75 16.306 -11.472 4.277 1.00 0.00 N ATOM 1143 CA PRO A 75 17.474 -11.459 3.386 1.00 0.00 C ATOM 1144 C PRO A 75 17.535 -12.696 2.490 1.00 0.00 C ATOM 1145 O PRO A 75 17.665 -13.820 2.980 1.00 0.00 O ATOM 1146 CB PRO A 75 18.659 -11.433 4.354 1.00 0.00 C ATOM 1147 CG PRO A 75 18.145 -12.068 5.599 1.00 0.00 C ATOM 1148 CD PRO A 75 16.689 -11.701 5.683 1.00 0.00 C ATOM 0 HA PRO A 75 17.454 -10.614 2.697 1.00 0.00 H new ATOM 0 HB2 PRO A 75 19.511 -11.982 3.952 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.996 -10.413 4.540 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.273 -13.150 5.566 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.689 -11.709 6.473 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.100 -12.500 6.134 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.535 -10.809 6.291 1.00 0.00 H new ATOM 1156 N PRO A 76 17.434 -12.503 1.157 1.00 0.00 N ATOM 1157 CA PRO A 76 17.470 -13.607 0.185 1.00 0.00 C ATOM 1158 C PRO A 76 18.775 -14.404 0.242 1.00 0.00 C ATOM 1159 O PRO A 76 19.727 -14.018 0.926 1.00 0.00 O ATOM 1160 CB PRO A 76 17.335 -12.904 -1.172 1.00 0.00 C ATOM 1161 CG PRO A 76 16.735 -11.577 -0.860 1.00 0.00 C ATOM 1162 CD PRO A 76 17.267 -11.198 0.490 1.00 0.00 C ATOM 0 HA PRO A 76 16.685 -14.336 0.383 1.00 0.00 H new ATOM 0 HB2 PRO A 76 18.304 -12.794 -1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 76 16.701 -13.474 -1.851 1.00 0.00 H new ATOM 0 HG2 PRO A 76 17.010 -10.837 -1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 76 15.646 -11.632 -0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 76 18.211 -10.659 0.415 1.00 0.00 H new ATOM 0 HD3 PRO A 76 16.574 -10.554 1.031 1.00 0.00 H new ATOM 1170 N GLU A 77 18.807 -15.521 -0.486 1.00 0.00 N ATOM 1171 CA GLU A 77 19.986 -16.384 -0.526 1.00 0.00 C ATOM 1172 C GLU A 77 20.887 -16.042 -1.712 1.00 0.00 C ATOM 1173 O GLU A 77 20.404 -15.613 -2.761 1.00 0.00 O ATOM 1174 CB GLU A 77 19.570 -17.856 -0.606 1.00 0.00 C ATOM 1175 CG GLU A 77 18.542 -18.265 0.443 1.00 0.00 C ATOM 1176 CD GLU A 77 17.425 -19.124 -0.126 1.00 0.00 C ATOM 1177 OE1 GLU A 77 17.731 -20.128 -0.805 1.00 0.00 O ATOM 1178 OE2 GLU A 77 16.245 -18.793 0.112 1.00 0.00 O ATOM 0 H GLU A 77 18.028 -15.849 -1.057 1.00 0.00 H new ATOM 0 HA GLU A 77 20.547 -16.216 0.393 1.00 0.00 H new ATOM 0 HB2 GLU A 77 19.162 -18.055 -1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 77 20.456 -18.481 -0.495 1.00 0.00 H new ATOM 0 HG2 GLU A 77 19.043 -18.812 1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 77 18.112 -17.369 0.891 1.00 0.00 H new ATOM 1185 N PRO A 78 22.217 -16.229 -1.554 1.00 0.00 N ATOM 1186 CA PRO A 78 23.199 -15.943 -2.612 1.00 0.00 C ATOM 1187 C PRO A 78 22.915 -16.711 -3.906 1.00 0.00 C ATOM 1188 O PRO A 78 23.432 -17.811 -4.115 1.00 0.00 O ATOM 1189 CB PRO A 78 24.535 -16.389 -1.998 1.00 0.00 C ATOM 1190 CG PRO A 78 24.310 -16.366 -0.527 1.00 0.00 C ATOM 1191 CD PRO A 78 22.865 -16.727 -0.325 1.00 0.00 C ATOM 0 HA PRO A 78 23.181 -14.893 -2.903 1.00 0.00 H new ATOM 0 HB2 PRO A 78 24.813 -17.386 -2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 78 25.344 -15.717 -2.284 1.00 0.00 H new ATOM 0 HG2 PRO A 78 24.964 -17.076 -0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 78 24.528 -15.381 -0.114 1.00 0.00 H new ATOM 0 HD2 PRO A 78 22.731 -17.802 -0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 78 22.453 -16.255 0.567 1.00 0.00 H new ATOM 1199 N ILE A 79 22.086 -16.112 -4.768 1.00 0.00 N ATOM 1200 CA ILE A 79 21.706 -16.706 -6.053 1.00 0.00 C ATOM 1201 C ILE A 79 20.860 -17.966 -5.866 1.00 0.00 C ATOM 1202 O ILE A 79 21.185 -18.834 -5.054 1.00 0.00 O ATOM 1203 CB ILE A 79 22.934 -17.050 -6.930 1.00 0.00 C ATOM 1204 CG1 ILE A 79 23.894 -15.858 -7.008 1.00 0.00 C ATOM 1205 CG2 ILE A 79 22.481 -17.460 -8.326 1.00 0.00 C ATOM 1206 CD1 ILE A 79 25.040 -15.933 -6.021 1.00 0.00 C ATOM 0 H ILE A 79 21.660 -15.202 -4.594 1.00 0.00 H new ATOM 0 HA ILE A 79 21.115 -15.947 -6.565 1.00 0.00 H new ATOM 0 HB ILE A 79 23.464 -17.885 -6.473 1.00 0.00 H new ATOM 0 HG12 ILE A 79 24.300 -15.795 -8.018 1.00 0.00 H new ATOM 0 HG13 ILE A 79 23.334 -14.940 -6.832 1.00 0.00 H new ATOM 0 HG21 ILE A 79 23.352 -17.700 -8.935 1.00 0.00 H new ATOM 0 HG22 ILE A 79 21.835 -18.335 -8.256 1.00 0.00 H new ATOM 0 HG23 ILE A 79 21.932 -16.639 -8.786 1.00 0.00 H new ATOM 0 HD11 ILE A 79 25.677 -15.056 -6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 79 24.644 -15.964 -5.006 1.00 0.00 H new ATOM 0 HD13 ILE A 79 25.625 -16.833 -6.210 1.00 0.00 H new ATOM 1218 N ALA A 80 19.772 -18.058 -6.628 1.00 0.00 N ATOM 1219 CA ALA A 80 18.876 -19.210 -6.553 1.00 0.00 C ATOM 1220 C ALA A 80 18.567 -19.771 -7.943 1.00 0.00 C ATOM 1221 O ALA A 80 18.950 -20.898 -8.263 1.00 0.00 O ATOM 1222 CB ALA A 80 17.592 -18.828 -5.827 1.00 0.00 C ATOM 0 H ALA A 80 19.490 -17.349 -7.304 1.00 0.00 H new ATOM 0 HA ALA A 80 19.380 -19.995 -5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 80 16.931 -19.693 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 80 17.831 -18.494 -4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 80 17.094 -18.023 -6.367 1.00 0.00 H new ATOM 1228 N ALA A 81 17.869 -18.983 -8.762 1.00 0.00 N ATOM 1229 CA ALA A 81 17.502 -19.402 -10.116 1.00 0.00 C ATOM 1230 C ALA A 81 18.413 -18.768 -11.169 1.00 0.00 C ATOM 1231 O ALA A 81 18.670 -19.364 -12.218 1.00 0.00 O ATOM 1232 CB ALA A 81 16.049 -19.051 -10.395 1.00 0.00 C ATOM 0 H ALA A 81 17.546 -18.049 -8.511 1.00 0.00 H new ATOM 0 HA ALA A 81 17.629 -20.483 -10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 81 15.786 -19.367 -11.405 1.00 0.00 H new ATOM 0 HB2 ALA A 81 15.407 -19.561 -9.676 1.00 0.00 H new ATOM 0 HB3 ALA A 81 15.911 -17.974 -10.304 1.00 0.00 H new ATOM 1238 N ALA A 82 18.892 -17.554 -10.888 1.00 0.00 N ATOM 1239 CA ALA A 82 19.769 -16.839 -11.811 1.00 0.00 C ATOM 1240 C ALA A 82 21.053 -17.623 -12.075 1.00 0.00 C ATOM 1241 O ALA A 82 21.860 -17.833 -11.168 1.00 0.00 O ATOM 1242 CB ALA A 82 20.094 -15.455 -11.265 1.00 0.00 C ATOM 0 H ALA A 82 18.686 -17.047 -10.027 1.00 0.00 H new ATOM 0 HA ALA A 82 19.243 -16.730 -12.759 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.749 -14.933 -11.963 1.00 0.00 H new ATOM 0 HB2 ALA A 82 19.172 -14.888 -11.139 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.595 -15.552 -10.302 1.00 0.00 H new ATOM 1248 N ALA A 83 21.232 -18.051 -13.324 1.00 0.00 N ATOM 1249 CA ALA A 83 22.416 -18.810 -13.718 1.00 0.00 C ATOM 1250 C ALA A 83 22.736 -18.595 -15.196 1.00 0.00 C ATOM 1251 O ALA A 83 23.423 -19.403 -15.823 1.00 0.00 O ATOM 1252 CB ALA A 83 22.221 -20.293 -13.420 1.00 0.00 C ATOM 0 H ALA A 83 20.570 -17.884 -14.082 1.00 0.00 H new ATOM 0 HA ALA A 83 23.262 -18.448 -13.135 1.00 0.00 H new ATOM 0 HB1 ALA A 83 23.112 -20.845 -13.719 1.00 0.00 H new ATOM 0 HB2 ALA A 83 22.051 -20.430 -12.352 1.00 0.00 H new ATOM 0 HB3 ALA A 83 21.360 -20.666 -13.975 1.00 0.00 H new TER 1258 ALA A 83 HETATM 1259 ZN ZN A 84 -1.015 15.064 -0.022 1.00 0.00 ZN