USER MOD reduce.3.24.130724 H: found=0, std=0, add=334, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 332 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+ -158:sc= -0.0692 (180deg=-0.705) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 8 SER OG : rot -17:sc= 1.47 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.286 X(o=0.29,f=0) USER MOD Single : A 20 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.6!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 84:sc= 0.324 USER MOD Single : A 31 ASN : amide:sc= -0.323 K(o=-0.32,f=-2) USER MOD Single : A 32 SER OG : rot 80:sc= 1.01 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.029 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -26.823 9.410 7.170 1.00 0.00 N ATOM 2 CA VAL A 1 -25.472 9.271 6.665 1.00 0.00 C ATOM 3 C VAL A 1 -25.000 7.836 6.845 1.00 0.00 C ATOM 4 O VAL A 1 -24.088 7.573 7.626 1.00 0.00 O ATOM 5 CB VAL A 1 -24.552 10.240 7.404 1.00 0.00 C ATOM 6 CG1 VAL A 1 -23.110 10.010 6.960 1.00 0.00 C ATOM 7 CG2 VAL A 1 -24.961 11.674 7.083 1.00 0.00 C ATOM 0 H1 VAL A 1 -27.274 10.238 6.731 1.00 0.00 H new ATOM 0 H2 VAL A 1 -27.369 8.555 6.940 1.00 0.00 H new ATOM 0 H3 VAL A 1 -26.797 9.537 8.202 1.00 0.00 H new ATOM 0 HA VAL A 1 -25.450 9.509 5.602 1.00 0.00 H new ATOM 0 HB VAL A 1 -24.633 10.071 8.478 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -22.452 10.701 7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -22.818 8.985 7.189 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -23.029 10.179 5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -24.305 12.366 7.610 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -24.880 11.844 6.009 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -25.991 11.838 7.400 1.00 0.00 H new ATOM 17 N ASN A 2 -25.618 6.910 6.123 1.00 0.00 N ATOM 18 CA ASN A 2 -25.270 5.502 6.212 1.00 0.00 C ATOM 19 C ASN A 2 -25.739 4.786 4.956 1.00 0.00 C ATOM 20 O ASN A 2 -26.699 5.210 4.316 1.00 0.00 O ATOM 21 CB ASN A 2 -25.923 4.869 7.445 1.00 0.00 C ATOM 22 CG ASN A 2 -27.439 4.982 7.425 1.00 0.00 C ATOM 23 OD1 ASN A 2 -28.127 4.149 6.836 1.00 0.00 O ATOM 24 ND2 ASN A 2 -27.966 6.010 8.082 1.00 0.00 N ATOM 0 H ASN A 2 -26.369 7.114 5.464 1.00 0.00 H new ATOM 0 HA ASN A 2 -24.188 5.408 6.304 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -25.641 3.818 7.502 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -25.538 5.351 8.344 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -28.978 6.132 8.111 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -27.358 6.677 8.557 1.00 0.00 H new ATOM 31 N TYR A 3 -25.040 3.718 4.592 1.00 0.00 N ATOM 32 CA TYR A 3 -25.372 2.951 3.389 1.00 0.00 C ATOM 33 C TYR A 3 -24.808 1.534 3.481 1.00 0.00 C ATOM 34 O TYR A 3 -24.281 1.131 4.517 1.00 0.00 O ATOM 35 CB TYR A 3 -24.795 3.638 2.138 1.00 0.00 C ATOM 36 CG TYR A 3 -25.444 4.958 1.770 1.00 0.00 C ATOM 37 CD1 TYR A 3 -26.823 5.072 1.651 1.00 0.00 C ATOM 38 CD2 TYR A 3 -24.673 6.085 1.527 1.00 0.00 C ATOM 39 CE1 TYR A 3 -27.408 6.273 1.306 1.00 0.00 C ATOM 40 CE2 TYR A 3 -25.253 7.288 1.181 1.00 0.00 C ATOM 41 CZ TYR A 3 -26.619 7.377 1.072 1.00 0.00 C ATOM 42 OH TYR A 3 -27.203 8.575 0.726 1.00 0.00 O ATOM 0 H TYR A 3 -24.238 3.360 5.111 1.00 0.00 H new ATOM 0 HA TYR A 3 -26.458 2.903 3.312 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -23.729 3.806 2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -24.890 2.957 1.293 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -27.446 4.208 1.831 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -23.598 6.020 1.610 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -28.482 6.347 1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -24.636 8.155 0.997 1.00 0.00 H new ATOM 0 HH TYR A 3 -26.507 9.253 0.597 1.00 0.00 H new ATOM 52 N GLY A 4 -24.961 0.772 2.402 1.00 0.00 N ATOM 53 CA GLY A 4 -24.481 -0.600 2.381 1.00 0.00 C ATOM 54 C GLY A 4 -24.183 -1.088 0.975 1.00 0.00 C ATOM 55 O GLY A 4 -24.409 -2.255 0.654 1.00 0.00 O ATOM 0 H GLY A 4 -25.410 1.080 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.579 -0.676 2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.227 -1.250 2.838 1.00 0.00 H new ATOM 59 N ASN A 5 -23.665 -0.193 0.139 1.00 0.00 N ATOM 60 CA ASN A 5 -23.324 -0.536 -1.239 1.00 0.00 C ATOM 61 C ASN A 5 -22.379 0.503 -1.837 1.00 0.00 C ATOM 62 O ASN A 5 -21.211 0.216 -2.093 1.00 0.00 O ATOM 63 CB ASN A 5 -24.585 -0.660 -2.095 1.00 0.00 C ATOM 64 CG ASN A 5 -24.347 -1.477 -3.351 1.00 0.00 C ATOM 65 OD1 ASN A 5 -23.557 -1.095 -4.214 1.00 0.00 O ATOM 66 ND2 ASN A 5 -25.034 -2.609 -3.459 1.00 0.00 N ATOM 0 H ASN A 5 -23.472 0.776 0.391 1.00 0.00 H new ATOM 0 HA ASN A 5 -22.816 -1.501 -1.230 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -25.377 -1.123 -1.507 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -24.934 0.335 -2.371 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -24.917 -3.200 -4.282 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -25.678 -2.887 -2.719 1.00 0.00 H new ATOM 73 N GLY A 6 -22.887 1.717 -2.044 1.00 0.00 N ATOM 74 CA GLY A 6 -22.072 2.786 -2.603 1.00 0.00 C ATOM 75 C GLY A 6 -22.753 3.499 -3.757 1.00 0.00 C ATOM 76 O GLY A 6 -22.414 3.276 -4.920 1.00 0.00 O ATOM 0 H GLY A 6 -23.850 1.980 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -21.841 3.509 -1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -21.123 2.373 -2.945 1.00 0.00 H new ATOM 80 N VAL A 7 -23.719 4.357 -3.439 1.00 0.00 N ATOM 81 CA VAL A 7 -24.438 5.101 -4.463 1.00 0.00 C ATOM 82 C VAL A 7 -23.738 6.416 -4.778 1.00 0.00 C ATOM 83 O VAL A 7 -24.320 7.493 -4.643 1.00 0.00 O ATOM 84 CB VAL A 7 -25.893 5.385 -4.047 1.00 0.00 C ATOM 85 CG1 VAL A 7 -25.930 6.275 -2.819 1.00 0.00 C ATOM 86 CG2 VAL A 7 -26.664 6.019 -5.194 1.00 0.00 C ATOM 0 H VAL A 7 -24.019 4.552 -2.484 1.00 0.00 H new ATOM 0 HA VAL A 7 -24.448 4.476 -5.356 1.00 0.00 H new ATOM 0 HB VAL A 7 -26.371 4.438 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -26.966 6.466 -2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -25.417 5.780 -1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -25.434 7.220 -3.040 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -27.690 6.212 -4.880 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -26.188 6.958 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -26.667 5.342 -6.048 1.00 0.00 H new ATOM 96 N SER A 8 -22.483 6.319 -5.198 1.00 0.00 N ATOM 97 CA SER A 8 -21.693 7.498 -5.535 1.00 0.00 C ATOM 98 C SER A 8 -21.521 8.417 -4.331 1.00 0.00 C ATOM 99 O SER A 8 -22.497 8.823 -3.698 1.00 0.00 O ATOM 100 CB SER A 8 -22.353 8.279 -6.674 1.00 0.00 C ATOM 101 OG SER A 8 -23.353 9.157 -6.181 1.00 0.00 O ATOM 0 H SER A 8 -21.989 5.434 -5.314 1.00 0.00 H new ATOM 0 HA SER A 8 -20.710 7.149 -5.851 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.597 8.850 -7.213 1.00 0.00 H new ATOM 0 HB3 SER A 8 -22.795 7.583 -7.387 1.00 0.00 H new ATOM 0 HG SER A 8 -23.603 8.890 -5.272 1.00 0.00 H new ATOM 107 N CYS A 9 -20.277 8.752 -4.029 1.00 0.00 N ATOM 108 CA CYS A 9 -19.979 9.635 -2.918 1.00 0.00 C ATOM 109 C CYS A 9 -18.740 10.473 -3.225 1.00 0.00 C ATOM 110 O CYS A 9 -18.857 11.576 -3.759 1.00 0.00 O ATOM 111 CB CYS A 9 -19.803 8.855 -1.604 1.00 0.00 C ATOM 112 SG CYS A 9 -19.219 7.141 -1.798 1.00 0.00 S ATOM 0 H CYS A 9 -19.457 8.424 -4.540 1.00 0.00 H new ATOM 0 HA CYS A 9 -20.829 10.304 -2.785 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -19.098 9.394 -0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -20.757 8.840 -1.077 1.00 0.00 H new ATOM 117 N SER A 10 -17.554 9.947 -2.896 1.00 0.00 N ATOM 118 CA SER A 10 -16.296 10.659 -3.139 1.00 0.00 C ATOM 119 C SER A 10 -16.469 12.155 -2.893 1.00 0.00 C ATOM 120 O SER A 10 -16.419 12.964 -3.816 1.00 0.00 O ATOM 121 CB SER A 10 -15.789 10.397 -4.562 1.00 0.00 C ATOM 122 OG SER A 10 -14.527 11.004 -4.776 1.00 0.00 O ATOM 0 H SER A 10 -17.440 9.031 -2.461 1.00 0.00 H new ATOM 0 HA SER A 10 -15.550 10.282 -2.439 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.712 9.323 -4.732 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.508 10.783 -5.284 1.00 0.00 H new ATOM 0 HG SER A 10 -14.226 10.820 -5.690 1.00 0.00 H new ATOM 128 N LYS A 11 -16.695 12.498 -1.630 1.00 0.00 N ATOM 129 CA LYS A 11 -16.895 13.883 -1.219 1.00 0.00 C ATOM 130 C LYS A 11 -16.693 14.049 0.296 1.00 0.00 C ATOM 131 O LYS A 11 -16.397 15.148 0.771 1.00 0.00 O ATOM 132 CB LYS A 11 -18.280 14.380 -1.665 1.00 0.00 C ATOM 133 CG LYS A 11 -19.466 13.724 -0.970 1.00 0.00 C ATOM 134 CD LYS A 11 -20.689 13.733 -1.881 1.00 0.00 C ATOM 135 CE LYS A 11 -21.875 13.007 -1.265 1.00 0.00 C ATOM 136 NZ LYS A 11 -22.861 13.958 -0.680 1.00 0.00 N ATOM 0 H LYS A 11 -16.745 11.826 -0.864 1.00 0.00 H new ATOM 0 HA LYS A 11 -16.143 14.500 -1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -18.332 15.456 -1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -18.376 14.220 -2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -19.215 12.699 -0.698 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -19.691 14.253 -0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -20.970 14.764 -2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -20.434 13.265 -2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -22.364 12.398 -2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -21.522 12.326 -0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -23.655 13.426 -0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -22.401 14.522 0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -23.216 14.591 -1.425 1.00 0.00 H new ATOM 150 N THR A 12 -16.811 12.946 1.042 1.00 0.00 N ATOM 151 CA THR A 12 -16.609 12.968 2.496 1.00 0.00 C ATOM 152 C THR A 12 -16.095 11.626 3.009 1.00 0.00 C ATOM 153 O THR A 12 -15.527 11.546 4.097 1.00 0.00 O ATOM 154 CB THR A 12 -17.912 13.297 3.215 1.00 0.00 C ATOM 155 OG1 THR A 12 -17.735 13.219 4.622 1.00 0.00 O ATOM 156 CG2 THR A 12 -19.040 12.365 2.843 1.00 0.00 C ATOM 0 H THR A 12 -17.045 12.028 0.665 1.00 0.00 H new ATOM 0 HA THR A 12 -15.865 13.738 2.703 1.00 0.00 H new ATOM 0 HB THR A 12 -18.177 14.308 2.905 1.00 0.00 H new ATOM 0 HG1 THR A 12 -18.579 13.434 5.070 1.00 0.00 H new ATOM 0 HG21 THR A 12 -19.941 12.649 3.387 1.00 0.00 H new ATOM 0 HG22 THR A 12 -19.227 12.430 1.771 1.00 0.00 H new ATOM 0 HG23 THR A 12 -18.767 11.342 3.102 1.00 0.00 H new ATOM 164 N LYS A 13 -16.315 10.569 2.231 1.00 0.00 N ATOM 165 CA LYS A 13 -15.898 9.233 2.617 1.00 0.00 C ATOM 166 C LYS A 13 -15.778 8.344 1.383 1.00 0.00 C ATOM 167 O LYS A 13 -15.746 8.836 0.254 1.00 0.00 O ATOM 168 CB LYS A 13 -16.896 8.625 3.608 1.00 0.00 C ATOM 169 CG LYS A 13 -16.245 7.954 4.806 1.00 0.00 C ATOM 170 CD LYS A 13 -15.578 8.964 5.728 1.00 0.00 C ATOM 171 CE LYS A 13 -15.676 8.527 7.183 1.00 0.00 C ATOM 172 NZ LYS A 13 -14.536 9.029 8.003 1.00 0.00 N ATOM 0 H LYS A 13 -16.783 10.618 1.326 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.924 9.300 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -17.564 9.410 3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -17.512 7.894 3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.997 7.396 5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.504 7.233 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.530 9.079 5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.049 9.939 5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.613 8.890 7.607 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.704 7.438 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -14.646 8.706 8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.643 8.663 7.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.523 10.069 7.980 1.00 0.00 H new ATOM 186 N CYS A 14 -15.682 7.035 1.590 1.00 0.00 N ATOM 187 CA CYS A 14 -15.540 6.100 0.478 1.00 0.00 C ATOM 188 C CYS A 14 -14.137 6.168 -0.096 1.00 0.00 C ATOM 189 O CYS A 14 -13.595 7.256 -0.293 1.00 0.00 O ATOM 190 CB CYS A 14 -16.527 6.435 -0.637 1.00 0.00 C ATOM 191 SG CYS A 14 -18.219 6.785 -0.071 1.00 0.00 S ATOM 0 H CYS A 14 -15.700 6.599 2.512 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.740 5.100 0.862 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -16.155 7.301 -1.185 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -16.558 5.602 -1.339 1.00 0.00 H new ATOM 196 N SER A 15 -13.555 5.014 -0.391 1.00 0.00 N ATOM 197 CA SER A 15 -12.218 4.989 -0.963 1.00 0.00 C ATOM 198 C SER A 15 -11.809 3.595 -1.405 1.00 0.00 C ATOM 199 O SER A 15 -12.535 2.618 -1.203 1.00 0.00 O ATOM 200 CB SER A 15 -11.204 5.535 0.043 1.00 0.00 C ATOM 201 OG SER A 15 -11.402 4.971 1.326 1.00 0.00 O ATOM 0 H SER A 15 -13.979 4.098 -0.247 1.00 0.00 H new ATOM 0 HA SER A 15 -12.233 5.623 -1.849 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.193 5.317 -0.301 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.294 6.620 0.102 1.00 0.00 H new ATOM 0 HG SER A 15 -10.740 5.336 1.949 1.00 0.00 H new ATOM 207 N VAL A 16 -10.638 3.525 -2.019 1.00 0.00 N ATOM 208 CA VAL A 16 -10.089 2.273 -2.497 1.00 0.00 C ATOM 209 C VAL A 16 -9.536 1.444 -1.333 1.00 0.00 C ATOM 210 O VAL A 16 -8.342 1.482 -1.035 1.00 0.00 O ATOM 211 CB VAL A 16 -8.995 2.546 -3.556 1.00 0.00 C ATOM 212 CG1 VAL A 16 -7.884 3.403 -2.976 1.00 0.00 C ATOM 213 CG2 VAL A 16 -8.424 1.263 -4.114 1.00 0.00 C ATOM 0 H VAL A 16 -10.045 4.335 -2.198 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.886 1.695 -2.965 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.468 3.088 -4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.126 3.582 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.296 4.356 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.431 2.888 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.659 1.497 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.981 0.680 -3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.219 0.685 -4.584 1.00 0.00 H new ATOM 223 N ASN A 17 -10.441 0.741 -0.646 1.00 0.00 N ATOM 224 CA ASN A 17 -10.086 -0.074 0.516 1.00 0.00 C ATOM 225 C ASN A 17 -9.011 -1.108 0.192 1.00 0.00 C ATOM 226 O ASN A 17 -8.303 -1.564 1.086 1.00 0.00 O ATOM 227 CB ASN A 17 -11.325 -0.785 1.070 1.00 0.00 C ATOM 228 CG ASN A 17 -11.338 -0.841 2.588 1.00 0.00 C ATOM 229 OD1 ASN A 17 -12.200 -0.244 3.236 1.00 0.00 O ATOM 230 ND2 ASN A 17 -10.384 -1.566 3.165 1.00 0.00 N ATOM 0 H ASN A 17 -11.434 0.721 -0.879 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.682 0.606 1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.221 -0.270 0.722 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.365 -1.799 0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.347 -1.644 4.181 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.690 -2.044 2.591 1.00 0.00 H new ATOM 237 N TRP A 18 -8.907 -1.500 -1.075 1.00 0.00 N ATOM 238 CA TRP A 18 -7.921 -2.513 -1.481 1.00 0.00 C ATOM 239 C TRP A 18 -6.615 -1.857 -1.941 1.00 0.00 C ATOM 240 O TRP A 18 -5.788 -2.493 -2.595 1.00 0.00 O ATOM 241 CB TRP A 18 -8.498 -3.421 -2.584 1.00 0.00 C ATOM 242 CG TRP A 18 -8.730 -2.732 -3.897 1.00 0.00 C ATOM 243 CD1 TRP A 18 -7.782 -2.365 -4.796 1.00 0.00 C ATOM 244 CD2 TRP A 18 -9.989 -2.336 -4.453 1.00 0.00 C ATOM 245 NE1 TRP A 18 -8.367 -1.747 -5.865 1.00 0.00 N ATOM 246 CE2 TRP A 18 -9.721 -1.720 -5.678 1.00 0.00 C ATOM 247 CE3 TRP A 18 -11.314 -2.434 -4.027 1.00 0.00 C ATOM 248 CZ2 TRP A 18 -10.722 -1.206 -6.491 1.00 0.00 C ATOM 249 CZ3 TRP A 18 -12.311 -1.927 -4.837 1.00 0.00 C ATOM 250 CH2 TRP A 18 -12.008 -1.317 -6.056 1.00 0.00 C ATOM 0 H TRP A 18 -9.484 -1.140 -1.835 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.695 -3.132 -0.613 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -7.817 -4.257 -2.742 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.442 -3.840 -2.236 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.722 -2.536 -4.683 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -7.873 -1.367 -6.672 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -11.555 -2.898 -3.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -10.489 -0.735 -7.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -13.341 -2.004 -4.523 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.809 -0.926 -6.666 1.00 0.00 H new ATOM 261 N GLY A 19 -6.421 -0.592 -1.562 1.00 0.00 N ATOM 262 CA GLY A 19 -5.213 0.128 -1.927 1.00 0.00 C ATOM 263 C GLY A 19 -3.992 -0.334 -1.150 1.00 0.00 C ATOM 264 O GLY A 19 -2.882 -0.352 -1.681 1.00 0.00 O ATOM 0 H GLY A 19 -7.085 -0.053 -1.006 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.028 0.000 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.365 1.194 -1.755 1.00 0.00 H new ATOM 268 N GLN A 20 -4.196 -0.708 0.111 1.00 0.00 N ATOM 269 CA GLN A 20 -3.097 -1.164 0.958 1.00 0.00 C ATOM 270 C GLN A 20 -2.606 -2.543 0.531 1.00 0.00 C ATOM 271 O GLN A 20 -1.424 -2.858 0.665 1.00 0.00 O ATOM 272 CB GLN A 20 -3.531 -1.200 2.425 1.00 0.00 C ATOM 273 CG GLN A 20 -3.554 0.171 3.083 1.00 0.00 C ATOM 274 CD GLN A 20 -4.748 0.361 3.996 1.00 0.00 C ATOM 275 OE1 GLN A 20 -5.813 -0.214 3.773 1.00 0.00 O ATOM 276 NE2 GLN A 20 -4.578 1.179 5.028 1.00 0.00 N ATOM 0 H GLN A 20 -5.108 -0.704 0.567 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.276 -0.456 0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.525 -1.643 2.491 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.855 -1.850 2.980 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.638 0.310 3.656 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.566 0.940 2.311 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.677 1.635 5.175 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.348 1.352 5.674 1.00 0.00 H new ATOM 285 N ALA A 21 -3.515 -3.362 0.016 1.00 0.00 N ATOM 286 CA ALA A 21 -3.163 -4.702 -0.432 1.00 0.00 C ATOM 287 C ALA A 21 -2.100 -4.640 -1.514 1.00 0.00 C ATOM 288 O ALA A 21 -0.948 -5.002 -1.285 1.00 0.00 O ATOM 289 CB ALA A 21 -4.403 -5.434 -0.930 1.00 0.00 C ATOM 0 H ALA A 21 -4.499 -3.122 -0.101 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.753 -5.256 0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.126 -6.435 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.131 -5.508 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.841 -4.884 -1.763 1.00 0.00 H new ATOM 295 N PHE A 22 -2.479 -4.160 -2.690 1.00 0.00 N ATOM 296 CA PHE A 22 -1.541 -4.075 -3.802 1.00 0.00 C ATOM 297 C PHE A 22 -0.317 -3.254 -3.467 1.00 0.00 C ATOM 298 O PHE A 22 0.748 -3.523 -4.000 1.00 0.00 O ATOM 299 CB PHE A 22 -2.173 -3.444 -5.043 1.00 0.00 C ATOM 300 CG PHE A 22 -1.287 -3.538 -6.248 1.00 0.00 C ATOM 301 CD1 PHE A 22 -0.741 -4.746 -6.633 1.00 0.00 C ATOM 302 CD2 PHE A 22 -0.960 -2.406 -6.959 1.00 0.00 C ATOM 303 CE1 PHE A 22 0.115 -4.818 -7.703 1.00 0.00 C ATOM 304 CE2 PHE A 22 -0.114 -2.469 -8.034 1.00 0.00 C ATOM 305 CZ PHE A 22 0.430 -3.676 -8.410 1.00 0.00 C ATOM 0 H PHE A 22 -3.420 -3.826 -2.899 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.256 -5.108 -4.001 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -3.122 -3.937 -5.254 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -2.396 -2.396 -4.841 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.990 -5.644 -6.086 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -1.377 -1.454 -6.665 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.542 -5.767 -7.991 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.126 -1.572 -8.586 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.101 -3.729 -9.255 1.00 0.00 H new ATOM 315 N GLN A 23 -0.475 -2.222 -2.635 1.00 0.00 N ATOM 316 CA GLN A 23 0.649 -1.350 -2.289 1.00 0.00 C ATOM 317 C GLN A 23 1.586 -2.032 -1.305 1.00 0.00 C ATOM 318 O GLN A 23 2.802 -1.859 -1.388 1.00 0.00 O ATOM 319 CB GLN A 23 0.160 -0.020 -1.698 1.00 0.00 C ATOM 320 CG GLN A 23 1.292 0.888 -1.224 1.00 0.00 C ATOM 321 CD GLN A 23 0.805 2.028 -0.351 1.00 0.00 C ATOM 322 OE1 GLN A 23 -0.042 2.823 -0.760 1.00 0.00 O ATOM 323 NE2 GLN A 23 1.341 2.116 0.863 1.00 0.00 N ATOM 0 H GLN A 23 -1.360 -1.972 -2.193 1.00 0.00 H new ATOM 0 HA GLN A 23 1.193 -1.144 -3.211 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -0.428 0.508 -2.449 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.505 -0.227 -0.859 1.00 0.00 H new ATOM 0 HG2 GLN A 23 2.018 0.295 -0.668 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.811 1.297 -2.091 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.040 1.436 1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.053 2.863 1.495 1.00 0.00 H new ATOM 332 N GLU A 24 1.016 -2.793 -0.379 1.00 0.00 N ATOM 333 CA GLU A 24 1.806 -3.504 0.619 1.00 0.00 C ATOM 334 C GLU A 24 2.564 -4.643 -0.046 1.00 0.00 C ATOM 335 O GLU A 24 3.655 -5.021 0.375 1.00 0.00 O ATOM 336 CB GLU A 24 0.897 -4.051 1.720 1.00 0.00 C ATOM 337 CG GLU A 24 1.656 -4.628 2.904 1.00 0.00 C ATOM 338 CD GLU A 24 1.472 -6.126 3.039 1.00 0.00 C ATOM 339 OE1 GLU A 24 1.742 -6.848 2.057 1.00 0.00 O ATOM 340 OE2 GLU A 24 1.058 -6.578 4.127 1.00 0.00 O ATOM 0 H GLU A 24 0.009 -2.934 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 24 2.519 -2.812 1.068 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.245 -3.252 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.255 -4.824 1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.717 -4.404 2.795 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.320 -4.140 3.819 1.00 0.00 H new ATOM 347 N ARG A 25 1.958 -5.180 -1.095 1.00 0.00 N ATOM 348 CA ARG A 25 2.525 -6.277 -1.856 1.00 0.00 C ATOM 349 C ARG A 25 3.588 -5.777 -2.837 1.00 0.00 C ATOM 350 O ARG A 25 4.745 -6.205 -2.806 1.00 0.00 O ATOM 351 CB ARG A 25 1.395 -6.969 -2.625 1.00 0.00 C ATOM 352 CG ARG A 25 1.469 -8.483 -2.582 1.00 0.00 C ATOM 353 CD ARG A 25 2.405 -9.025 -3.650 1.00 0.00 C ATOM 354 NE ARG A 25 1.911 -8.754 -4.998 1.00 0.00 N ATOM 355 CZ ARG A 25 1.017 -9.511 -5.629 1.00 0.00 C ATOM 356 NH1 ARG A 25 0.510 -10.587 -5.040 1.00 0.00 N ATOM 357 NH2 ARG A 25 0.625 -9.190 -6.854 1.00 0.00 N ATOM 0 H ARG A 25 1.053 -4.863 -1.442 1.00 0.00 H new ATOM 0 HA ARG A 25 3.005 -6.976 -1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.438 -6.649 -2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.421 -6.642 -3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.813 -8.804 -1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.472 -8.901 -2.724 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.392 -8.578 -3.529 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.524 -10.100 -3.517 1.00 0.00 H new ATOM 0 HE ARG A 25 2.274 -7.934 -5.485 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.805 -10.839 -4.097 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.175 -11.162 -5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.009 -8.363 -7.312 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.060 -9.770 -7.339 1.00 0.00 H new ATOM 371 N TYR A 26 3.165 -4.876 -3.716 1.00 0.00 N ATOM 372 CA TYR A 26 4.028 -4.317 -4.759 1.00 0.00 C ATOM 373 C TYR A 26 5.134 -3.416 -4.210 1.00 0.00 C ATOM 374 O TYR A 26 6.317 -3.670 -4.446 1.00 0.00 O ATOM 375 CB TYR A 26 3.141 -3.587 -5.770 1.00 0.00 C ATOM 376 CG TYR A 26 3.144 -2.061 -5.732 1.00 0.00 C ATOM 377 CD1 TYR A 26 4.193 -1.323 -6.236 1.00 0.00 C ATOM 378 CD2 TYR A 26 2.058 -1.371 -5.228 1.00 0.00 C ATOM 379 CE1 TYR A 26 4.151 0.055 -6.237 1.00 0.00 C ATOM 380 CE2 TYR A 26 2.002 -0.006 -5.215 1.00 0.00 C ATOM 381 CZ TYR A 26 3.053 0.711 -5.728 1.00 0.00 C ATOM 382 OH TYR A 26 3.014 2.086 -5.731 1.00 0.00 O ATOM 0 H TYR A 26 2.213 -4.510 -3.729 1.00 0.00 H new ATOM 0 HA TYR A 26 4.559 -5.133 -5.249 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.442 -3.900 -6.770 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.115 -3.926 -5.625 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.059 -1.830 -6.635 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.224 -1.930 -4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.980 0.620 -6.637 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.141 0.502 -4.806 1.00 0.00 H new ATOM 0 HH TYR A 26 2.170 2.390 -5.338 1.00 0.00 H new ATOM 392 N THR A 27 4.756 -2.363 -3.498 1.00 0.00 N ATOM 393 CA THR A 27 5.740 -1.448 -2.936 1.00 0.00 C ATOM 394 C THR A 27 6.758 -2.198 -2.090 1.00 0.00 C ATOM 395 O THR A 27 7.948 -1.882 -2.109 1.00 0.00 O ATOM 396 CB THR A 27 5.049 -0.371 -2.100 1.00 0.00 C ATOM 397 OG1 THR A 27 3.799 -0.026 -2.665 1.00 0.00 O ATOM 398 CG2 THR A 27 5.866 0.895 -1.955 1.00 0.00 C ATOM 0 H THR A 27 3.785 -2.123 -3.297 1.00 0.00 H new ATOM 0 HA THR A 27 6.267 -0.969 -3.761 1.00 0.00 H new ATOM 0 HB THR A 27 4.923 -0.808 -1.110 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.117 -0.662 -2.363 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.316 1.616 -1.350 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.814 0.663 -1.470 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.058 1.319 -2.941 1.00 0.00 H new ATOM 406 N ALA A 28 6.295 -3.209 -1.369 1.00 0.00 N ATOM 407 CA ALA A 28 7.178 -4.010 -0.533 1.00 0.00 C ATOM 408 C ALA A 28 8.324 -4.602 -1.350 1.00 0.00 C ATOM 409 O ALA A 28 9.489 -4.510 -0.962 1.00 0.00 O ATOM 410 CB ALA A 28 6.394 -5.110 0.164 1.00 0.00 C ATOM 0 H ALA A 28 5.316 -3.494 -1.346 1.00 0.00 H new ATOM 0 HA ALA A 28 7.611 -3.357 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.068 -5.700 0.785 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.620 -4.665 0.790 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.930 -5.755 -0.582 1.00 0.00 H new ATOM 416 N GLY A 29 7.987 -5.214 -2.482 1.00 0.00 N ATOM 417 CA GLY A 29 9.005 -5.816 -3.330 1.00 0.00 C ATOM 418 C GLY A 29 9.851 -4.790 -4.066 1.00 0.00 C ATOM 419 O GLY A 29 11.080 -4.824 -3.997 1.00 0.00 O ATOM 0 H GLY A 29 7.032 -5.304 -2.827 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.655 -6.443 -2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.524 -6.470 -4.057 1.00 0.00 H new ATOM 423 N ILE A 30 9.191 -3.885 -4.784 1.00 0.00 N ATOM 424 CA ILE A 30 9.885 -2.854 -5.556 1.00 0.00 C ATOM 425 C ILE A 30 10.721 -1.939 -4.663 1.00 0.00 C ATOM 426 O ILE A 30 11.742 -1.396 -5.086 1.00 0.00 O ATOM 427 CB ILE A 30 8.883 -1.996 -6.358 1.00 0.00 C ATOM 428 CG1 ILE A 30 9.623 -1.118 -7.369 1.00 0.00 C ATOM 429 CG2 ILE A 30 8.040 -1.143 -5.422 1.00 0.00 C ATOM 430 CD1 ILE A 30 8.919 -1.011 -8.705 1.00 0.00 C ATOM 0 H ILE A 30 8.174 -3.844 -4.848 1.00 0.00 H new ATOM 0 HA ILE A 30 10.552 -3.375 -6.242 1.00 0.00 H new ATOM 0 HB ILE A 30 8.216 -2.663 -6.904 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.745 -0.119 -6.950 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.623 -1.522 -7.526 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.340 -0.545 -6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.486 -1.789 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.690 -0.483 -4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.500 -0.374 -9.372 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.821 -2.003 -9.145 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.929 -0.579 -8.561 1.00 0.00 H new ATOM 442 N ASN A 31 10.292 -1.760 -3.421 1.00 0.00 N ATOM 443 CA ASN A 31 11.026 -0.908 -2.497 1.00 0.00 C ATOM 444 C ASN A 31 12.350 -1.561 -2.119 1.00 0.00 C ATOM 445 O ASN A 31 13.406 -0.938 -2.198 1.00 0.00 O ATOM 446 CB ASN A 31 10.203 -0.626 -1.235 1.00 0.00 C ATOM 447 CG ASN A 31 10.911 0.330 -0.294 1.00 0.00 C ATOM 448 OD1 ASN A 31 11.973 0.019 0.247 1.00 0.00 O ATOM 449 ND2 ASN A 31 10.325 1.505 -0.095 1.00 0.00 N ATOM 0 H ASN A 31 9.451 -2.187 -3.034 1.00 0.00 H new ATOM 0 HA ASN A 31 11.223 0.041 -2.996 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.238 -0.207 -1.518 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.003 -1.563 -0.716 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.755 2.191 0.526 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.445 1.722 -0.563 1.00 0.00 H new ATOM 456 N SER A 32 12.290 -2.833 -1.738 1.00 0.00 N ATOM 457 CA SER A 32 13.488 -3.576 -1.365 1.00 0.00 C ATOM 458 C SER A 32 14.541 -3.515 -2.466 1.00 0.00 C ATOM 459 O SER A 32 15.733 -3.379 -2.190 1.00 0.00 O ATOM 460 CB SER A 32 13.135 -5.032 -1.054 1.00 0.00 C ATOM 461 OG SER A 32 12.087 -5.111 -0.103 1.00 0.00 O ATOM 0 H SER A 32 11.425 -3.370 -1.680 1.00 0.00 H new ATOM 0 HA SER A 32 13.905 -3.112 -0.471 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.837 -5.541 -1.971 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.015 -5.550 -0.673 1.00 0.00 H new ATOM 0 HG SER A 32 11.227 -4.970 -0.551 1.00 0.00 H new ATOM 467 N PHE A 33 14.092 -3.587 -3.713 1.00 0.00 N ATOM 468 CA PHE A 33 14.996 -3.531 -4.856 1.00 0.00 C ATOM 469 C PHE A 33 15.787 -2.223 -4.849 1.00 0.00 C ATOM 470 O PHE A 33 16.966 -2.191 -5.190 1.00 0.00 O ATOM 471 CB PHE A 33 14.189 -3.664 -6.167 1.00 0.00 C ATOM 472 CG PHE A 33 14.512 -2.627 -7.219 1.00 0.00 C ATOM 473 CD1 PHE A 33 15.762 -2.574 -7.800 1.00 0.00 C ATOM 474 CD2 PHE A 33 13.563 -1.704 -7.614 1.00 0.00 C ATOM 475 CE1 PHE A 33 16.059 -1.624 -8.753 1.00 0.00 C ATOM 476 CE2 PHE A 33 13.853 -0.755 -8.566 1.00 0.00 C ATOM 477 CZ PHE A 33 15.103 -0.714 -9.136 1.00 0.00 C ATOM 0 H PHE A 33 13.107 -3.684 -3.959 1.00 0.00 H new ATOM 0 HA PHE A 33 15.703 -4.358 -4.788 1.00 0.00 H new ATOM 0 HB2 PHE A 33 14.366 -4.654 -6.587 1.00 0.00 H new ATOM 0 HB3 PHE A 33 13.127 -3.603 -5.931 1.00 0.00 H new ATOM 0 HD1 PHE A 33 16.518 -3.286 -7.504 1.00 0.00 H new ATOM 0 HD2 PHE A 33 12.579 -1.728 -7.169 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.042 -1.595 -9.199 1.00 0.00 H new ATOM 0 HE2 PHE A 33 13.099 -0.042 -8.866 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.333 0.031 -9.883 1.00 0.00 H new ATOM 487 N VAL A 34 15.114 -1.153 -4.452 1.00 0.00 N ATOM 488 CA VAL A 34 15.723 0.171 -4.394 1.00 0.00 C ATOM 489 C VAL A 34 16.794 0.255 -3.321 1.00 0.00 C ATOM 490 O VAL A 34 17.954 0.530 -3.610 1.00 0.00 O ATOM 491 CB VAL A 34 14.662 1.249 -4.117 1.00 0.00 C ATOM 492 CG1 VAL A 34 15.212 2.627 -4.430 1.00 0.00 C ATOM 493 CG2 VAL A 34 13.391 0.968 -4.909 1.00 0.00 C ATOM 0 H VAL A 34 14.136 -1.175 -4.162 1.00 0.00 H new ATOM 0 HA VAL A 34 16.185 0.345 -5.366 1.00 0.00 H new ATOM 0 HB VAL A 34 14.407 1.222 -3.058 1.00 0.00 H new ATOM 0 HG11 VAL A 34 14.448 3.378 -4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 34 16.085 2.821 -3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 34 15.499 2.674 -5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 34 12.653 1.742 -4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.620 0.964 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 34 12.990 -0.004 -4.621 1.00 0.00 H new ATOM 503 N SER A 35 16.401 0.014 -2.087 1.00 0.00 N ATOM 504 CA SER A 35 17.331 0.059 -0.963 1.00 0.00 C ATOM 505 C SER A 35 18.633 -0.672 -1.285 1.00 0.00 C ATOM 506 O SER A 35 19.722 -0.103 -1.186 1.00 0.00 O ATOM 507 CB SER A 35 16.698 -0.576 0.264 1.00 0.00 C ATOM 508 OG SER A 35 15.595 0.184 0.727 1.00 0.00 O ATOM 0 H SER A 35 15.441 -0.216 -1.830 1.00 0.00 H new ATOM 0 HA SER A 35 17.559 1.107 -0.767 1.00 0.00 H new ATOM 0 HB2 SER A 35 16.370 -1.588 0.024 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.442 -0.661 1.056 1.00 0.00 H new ATOM 0 HG SER A 35 15.207 -0.249 1.516 1.00 0.00 H new ATOM 514 N GLY A 36 18.507 -1.937 -1.670 1.00 0.00 N ATOM 515 CA GLY A 36 19.677 -2.733 -1.999 1.00 0.00 C ATOM 516 C GLY A 36 20.420 -2.194 -3.203 1.00 0.00 C ATOM 517 O GLY A 36 21.643 -2.046 -3.173 1.00 0.00 O ATOM 0 H GLY A 36 17.617 -2.426 -1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 36 20.349 -2.758 -1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 36 19.371 -3.761 -2.194 1.00 0.00 H new ATOM 521 N VAL A 37 19.681 -1.892 -4.265 1.00 0.00 N ATOM 522 CA VAL A 37 20.279 -1.367 -5.487 1.00 0.00 C ATOM 523 C VAL A 37 20.876 0.016 -5.237 1.00 0.00 C ATOM 524 O VAL A 37 21.806 0.435 -5.924 1.00 0.00 O ATOM 525 CB VAL A 37 19.242 -1.302 -6.639 1.00 0.00 C ATOM 526 CG1 VAL A 37 18.293 -0.130 -6.471 1.00 0.00 C ATOM 527 CG2 VAL A 37 19.925 -1.226 -7.990 1.00 0.00 C ATOM 0 H VAL A 37 18.668 -2.002 -4.304 1.00 0.00 H new ATOM 0 HA VAL A 37 21.076 -2.048 -5.787 1.00 0.00 H new ATOM 0 HB VAL A 37 18.660 -2.222 -6.594 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.581 -0.117 -7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.754 -0.230 -5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 37 18.861 0.800 -6.467 1.00 0.00 H new ATOM 0 HG21 VAL A 37 19.172 -1.182 -8.777 1.00 0.00 H new ATOM 0 HG22 VAL A 37 20.548 -0.332 -8.033 1.00 0.00 H new ATOM 0 HG23 VAL A 37 20.547 -2.109 -8.133 1.00 0.00 H new ATOM 537 N ALA A 38 20.347 0.712 -4.227 1.00 0.00 N ATOM 538 CA ALA A 38 20.829 2.043 -3.878 1.00 0.00 C ATOM 539 C ALA A 38 22.123 1.977 -3.072 1.00 0.00 C ATOM 540 O ALA A 38 22.906 2.927 -3.061 1.00 0.00 O ATOM 541 CB ALA A 38 19.762 2.792 -3.099 1.00 0.00 C ATOM 0 H ALA A 38 19.585 0.373 -3.639 1.00 0.00 H new ATOM 0 HA ALA A 38 21.043 2.577 -4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 38 20.129 3.785 -2.842 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.863 2.884 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 38 19.526 2.245 -2.186 1.00 0.00 H new ATOM 547 N SER A 39 22.346 0.850 -2.401 1.00 0.00 N ATOM 548 CA SER A 39 23.547 0.666 -1.592 1.00 0.00 C ATOM 549 C SER A 39 24.813 0.867 -2.421 1.00 0.00 C ATOM 550 O SER A 39 25.851 1.265 -1.894 1.00 0.00 O ATOM 551 CB SER A 39 23.553 -0.725 -0.958 1.00 0.00 C ATOM 552 OG SER A 39 24.272 -0.726 0.263 1.00 0.00 O ATOM 0 H SER A 39 21.711 0.051 -2.402 1.00 0.00 H new ATOM 0 HA SER A 39 23.535 1.419 -0.804 1.00 0.00 H new ATOM 0 HB2 SER A 39 22.528 -1.052 -0.780 1.00 0.00 H new ATOM 0 HB3 SER A 39 24.001 -1.441 -1.648 1.00 0.00 H new ATOM 0 HG SER A 39 24.260 -1.627 0.649 1.00 0.00 H new ATOM 558 N GLY A 40 24.721 0.588 -3.718 1.00 0.00 N ATOM 559 CA GLY A 40 25.870 0.742 -4.596 1.00 0.00 C ATOM 560 C GLY A 40 26.372 -0.585 -5.131 1.00 0.00 C ATOM 561 O GLY A 40 27.579 -0.806 -5.231 1.00 0.00 O ATOM 0 H GLY A 40 23.872 0.258 -4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.601 1.389 -5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 40 26.674 1.239 -4.054 1.00 0.00 H new ATOM 565 N ALA A 41 25.442 -1.471 -5.469 1.00 0.00 N ATOM 566 CA ALA A 41 25.791 -2.784 -5.995 1.00 0.00 C ATOM 567 C ALA A 41 26.570 -2.664 -7.301 1.00 0.00 C ATOM 568 O ALA A 41 27.532 -3.394 -7.530 1.00 0.00 O ATOM 569 CB ALA A 41 24.536 -3.616 -6.207 1.00 0.00 C ATOM 0 H ALA A 41 24.439 -1.303 -5.388 1.00 0.00 H new ATOM 0 HA ALA A 41 26.429 -3.282 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 41 24.810 -4.595 -6.600 1.00 0.00 H new ATOM 0 HB2 ALA A 41 24.016 -3.739 -5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 41 23.880 -3.111 -6.916 1.00 0.00 H new ATOM 575 N GLY A 42 26.139 -1.741 -8.156 1.00 0.00 N ATOM 576 CA GLY A 42 26.801 -1.538 -9.435 1.00 0.00 C ATOM 577 C GLY A 42 25.908 -1.881 -10.612 1.00 0.00 C ATOM 578 O GLY A 42 25.906 -3.018 -11.087 1.00 0.00 O ATOM 0 H GLY A 42 25.341 -1.128 -7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 42 27.119 -0.498 -9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 42 27.702 -2.151 -9.476 1.00 0.00 H new ATOM 582 N SER A 43 25.152 -0.896 -11.086 1.00 0.00 N ATOM 583 CA SER A 43 24.252 -1.093 -12.217 1.00 0.00 C ATOM 584 C SER A 43 23.673 0.238 -12.685 1.00 0.00 C ATOM 585 O SER A 43 23.732 0.570 -13.869 1.00 0.00 O ATOM 586 CB SER A 43 23.124 -2.055 -11.841 1.00 0.00 C ATOM 587 OG SER A 43 22.440 -1.614 -10.682 1.00 0.00 O ATOM 0 H SER A 43 25.145 0.049 -10.703 1.00 0.00 H new ATOM 0 HA SER A 43 24.825 -1.527 -13.036 1.00 0.00 H new ATOM 0 HB2 SER A 43 22.422 -2.139 -12.671 1.00 0.00 H new ATOM 0 HB3 SER A 43 23.534 -3.050 -11.668 1.00 0.00 H new ATOM 0 HG SER A 43 21.723 -2.246 -10.465 1.00 0.00 H new ATOM 593 N ILE A 44 23.116 0.998 -11.747 1.00 0.00 N ATOM 594 CA ILE A 44 22.535 2.302 -12.058 1.00 0.00 C ATOM 595 C ILE A 44 22.633 3.240 -10.857 1.00 0.00 C ATOM 596 O ILE A 44 23.522 4.089 -10.796 1.00 0.00 O ATOM 597 CB ILE A 44 21.056 2.198 -12.506 1.00 0.00 C ATOM 598 CG1 ILE A 44 20.379 0.963 -11.905 1.00 0.00 C ATOM 599 CG2 ILE A 44 20.967 2.163 -14.024 1.00 0.00 C ATOM 600 CD1 ILE A 44 18.890 1.141 -11.688 1.00 0.00 C ATOM 0 H ILE A 44 23.054 0.734 -10.764 1.00 0.00 H new ATOM 0 HA ILE A 44 23.112 2.706 -12.889 1.00 0.00 H new ATOM 0 HB ILE A 44 20.530 3.080 -12.140 1.00 0.00 H new ATOM 0 HG12 ILE A 44 20.544 0.110 -12.564 1.00 0.00 H new ATOM 0 HG13 ILE A 44 20.852 0.726 -10.952 1.00 0.00 H new ATOM 0 HG21 ILE A 44 19.922 2.090 -14.326 1.00 0.00 H new ATOM 0 HG22 ILE A 44 21.400 3.075 -14.435 1.00 0.00 H new ATOM 0 HG23 ILE A 44 21.515 1.299 -14.401 1.00 0.00 H new ATOM 0 HD11 ILE A 44 18.473 0.229 -11.260 1.00 0.00 H new ATOM 0 HD12 ILE A 44 18.719 1.973 -11.005 1.00 0.00 H new ATOM 0 HD13 ILE A 44 18.406 1.349 -12.642 1.00 0.00 H new ATOM 612 N GLY A 45 21.721 3.082 -9.902 1.00 0.00 N ATOM 613 CA GLY A 45 21.734 3.923 -8.717 1.00 0.00 C ATOM 614 C GLY A 45 21.601 5.396 -9.048 1.00 0.00 C ATOM 615 O GLY A 45 22.079 6.252 -8.304 1.00 0.00 O ATOM 0 H GLY A 45 20.974 2.388 -9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.919 3.627 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 45 22.662 3.759 -8.170 1.00 0.00 H new ATOM 619 N ARG A 46 20.948 5.691 -10.167 1.00 0.00 N ATOM 620 CA ARG A 46 20.747 7.071 -10.594 1.00 0.00 C ATOM 621 C ARG A 46 19.275 7.330 -10.902 1.00 0.00 C ATOM 622 O ARG A 46 18.946 8.126 -11.780 1.00 0.00 O ATOM 623 CB ARG A 46 21.600 7.383 -11.825 1.00 0.00 C ATOM 624 CG ARG A 46 23.022 7.805 -11.489 1.00 0.00 C ATOM 625 CD ARG A 46 23.752 8.334 -12.713 1.00 0.00 C ATOM 626 NE ARG A 46 25.170 8.564 -12.447 1.00 0.00 N ATOM 627 CZ ARG A 46 25.974 9.253 -13.255 1.00 0.00 C ATOM 628 NH1 ARG A 46 25.504 9.777 -14.380 1.00 0.00 N ATOM 629 NH2 ARG A 46 27.251 9.416 -12.937 1.00 0.00 N ATOM 0 H ARG A 46 20.549 4.993 -10.795 1.00 0.00 H new ATOM 0 HA ARG A 46 21.055 7.725 -9.778 1.00 0.00 H new ATOM 0 HB2 ARG A 46 21.633 6.502 -12.466 1.00 0.00 H new ATOM 0 HB3 ARG A 46 21.120 8.177 -12.398 1.00 0.00 H new ATOM 0 HG2 ARG A 46 23.001 8.574 -10.716 1.00 0.00 H new ATOM 0 HG3 ARG A 46 23.567 6.955 -11.078 1.00 0.00 H new ATOM 0 HD2 ARG A 46 23.647 7.623 -13.533 1.00 0.00 H new ATOM 0 HD3 ARG A 46 23.288 9.265 -13.037 1.00 0.00 H new ATOM 0 HE ARG A 46 25.568 8.174 -11.592 1.00 0.00 H new ATOM 0 HH11 ARG A 46 24.523 9.653 -14.629 1.00 0.00 H new ATOM 0 HH12 ARG A 46 26.124 10.304 -14.995 1.00 0.00 H new ATOM 0 HH21 ARG A 46 27.617 9.014 -12.074 1.00 0.00 H new ATOM 0 HH22 ARG A 46 27.867 9.944 -13.555 1.00 0.00 H new ATOM 643 N ARG A 47 18.396 6.648 -10.171 1.00 0.00 N ATOM 644 CA ARG A 47 16.955 6.798 -10.358 1.00 0.00 C ATOM 645 C ARG A 47 16.359 7.689 -9.269 1.00 0.00 C ATOM 646 O ARG A 47 16.784 7.633 -8.114 1.00 0.00 O ATOM 647 CB ARG A 47 16.273 5.428 -10.334 1.00 0.00 C ATOM 648 CG ARG A 47 16.216 4.747 -11.692 1.00 0.00 C ATOM 649 CD ARG A 47 15.048 5.254 -12.523 1.00 0.00 C ATOM 650 NE ARG A 47 15.479 6.197 -13.552 1.00 0.00 N ATOM 651 CZ ARG A 47 16.222 5.859 -14.604 1.00 0.00 C ATOM 652 NH1 ARG A 47 16.617 4.603 -14.770 1.00 0.00 N ATOM 653 NH2 ARG A 47 16.571 6.780 -15.492 1.00 0.00 N ATOM 0 H ARG A 47 18.658 5.984 -9.442 1.00 0.00 H new ATOM 0 HA ARG A 47 16.784 7.267 -11.327 1.00 0.00 H new ATOM 0 HB2 ARG A 47 16.803 4.781 -9.635 1.00 0.00 H new ATOM 0 HB3 ARG A 47 15.258 5.544 -9.953 1.00 0.00 H new ATOM 0 HG2 ARG A 47 17.149 4.924 -12.228 1.00 0.00 H new ATOM 0 HG3 ARG A 47 16.126 3.669 -11.556 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.544 4.410 -12.993 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.321 5.737 -11.870 1.00 0.00 H new ATOM 0 HE ARG A 47 15.194 7.172 -13.459 1.00 0.00 H new ATOM 0 HH11 ARG A 47 16.352 3.891 -14.090 1.00 0.00 H new ATOM 0 HH12 ARG A 47 17.186 4.350 -15.578 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.270 7.747 -15.369 1.00 0.00 H new ATOM 0 HH22 ARG A 47 17.140 6.522 -16.298 1.00 0.00 H new ATOM 667 N PRO A 48 15.386 8.549 -9.622 1.00 0.00 N ATOM 668 CA PRO A 48 14.754 9.455 -8.662 1.00 0.00 C ATOM 669 C PRO A 48 13.759 8.735 -7.759 1.00 0.00 C ATOM 670 O PRO A 48 13.439 7.562 -8.047 1.00 0.00 O ATOM 671 CB PRO A 48 14.034 10.462 -9.555 1.00 0.00 C ATOM 672 CG PRO A 48 13.705 9.693 -10.786 1.00 0.00 C ATOM 673 CD PRO A 48 14.842 8.725 -10.985 1.00 0.00 C ATOM 674 OXT PRO A 48 13.309 9.347 -6.768 1.00 0.00 O ATOM 0 HA PRO A 48 15.478 9.906 -7.984 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.135 10.848 -9.075 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.668 11.320 -9.779 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.758 9.165 -10.675 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.602 10.356 -11.645 1.00 0.00 H new ATOM 0 HD2 PRO A 48 14.496 7.780 -11.405 1.00 0.00 H new ATOM 0 HD3 PRO A 48 15.592 9.122 -11.669 1.00 0.00 H new TER 682 PRO A 48