USER MOD reduce.3.24.130724 H: found=0, std=0, add=289, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 248 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.12 K(o=-0.12,f=-0.94) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0921 X(o=-0.092,f=0) USER MOD Single : A 12 ASN :FLIP amide:sc= -2.65! F(o=-4.4,f=-2.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.016) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.136 K(o=-0.14,f=-2.2!) USER MOD Single : A 25 SER OG : rot -90:sc= 1.02 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -158:sc=-0.00376 (180deg=-0.304) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -20.568 8.190 15.008 1.00 0.00 N ATOM 2 CA ALA A 1 -19.853 7.435 16.024 1.00 0.00 C ATOM 3 C ALA A 1 -20.630 6.157 16.345 1.00 0.00 C ATOM 4 O ALA A 1 -21.760 6.217 16.828 1.00 0.00 O ATOM 5 CB ALA A 1 -19.643 8.314 17.259 1.00 0.00 C ATOM 0 H1 ALA A 1 -20.042 9.060 14.787 1.00 0.00 H new ATOM 0 H2 ALA A 1 -20.660 7.613 14.147 1.00 0.00 H new ATOM 0 H3 ALA A 1 -21.514 8.438 15.361 1.00 0.00 H new ATOM 0 HA ALA A 1 -18.868 7.140 15.661 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.107 7.748 18.021 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.062 9.194 16.984 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -20.610 8.626 17.652 1.00 0.00 H new ATOM 11 N ARG A 2 -19.993 5.029 16.064 1.00 0.00 N ATOM 12 CA ARG A 2 -20.609 3.738 16.317 1.00 0.00 C ATOM 13 C ARG A 2 -19.777 2.939 17.321 1.00 0.00 C ATOM 14 O ARG A 2 -18.600 3.230 17.527 1.00 0.00 O ATOM 15 CB ARG A 2 -20.747 2.932 15.024 1.00 0.00 C ATOM 16 CG ARG A 2 -22.012 3.332 14.260 1.00 0.00 C ATOM 17 CD ARG A 2 -22.010 2.742 12.848 1.00 0.00 C ATOM 18 NE ARG A 2 -23.127 3.308 12.061 1.00 0.00 N ATOM 19 CZ ARG A 2 -23.177 3.314 10.723 1.00 0.00 C ATOM 20 NH1 ARG A 2 -22.172 2.783 10.013 1.00 0.00 N ATOM 21 NH2 ARG A 2 -24.232 3.849 10.093 1.00 0.00 N ATOM 0 H ARG A 2 -19.056 4.983 15.663 1.00 0.00 H new ATOM 0 HA ARG A 2 -21.602 3.920 16.727 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -19.872 3.094 14.395 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -20.780 1.868 15.257 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -22.893 2.986 14.801 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -22.079 4.418 14.204 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -21.062 2.958 12.356 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -22.103 1.657 12.898 1.00 0.00 H new ATOM 0 HE ARG A 2 -23.909 3.720 12.570 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -21.369 2.374 10.492 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -22.210 2.787 8.994 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -24.998 4.252 10.633 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -24.269 3.853 9.074 1.00 0.00 H new ATOM 32 N SER A 3 -20.422 1.949 17.920 1.00 0.00 N ATOM 33 CA SER A 3 -19.755 1.106 18.898 1.00 0.00 C ATOM 34 C SER A 3 -20.000 -0.368 18.572 1.00 0.00 C ATOM 35 O SER A 3 -19.608 -1.250 19.335 1.00 0.00 O ATOM 36 CB SER A 3 -20.236 1.423 20.317 1.00 0.00 C ATOM 37 OG SER A 3 -21.609 1.091 20.502 1.00 0.00 O ATOM 0 H SER A 3 -21.399 1.712 17.747 1.00 0.00 H new ATOM 0 HA SER A 3 -18.685 1.309 18.852 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.630 0.873 21.037 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.089 2.484 20.521 1.00 0.00 H new ATOM 0 HG SER A 3 -21.877 1.306 21.420 1.00 0.00 H new ATOM 42 N TYR A 4 -20.646 -0.591 17.437 1.00 0.00 N ATOM 43 CA TYR A 4 -20.947 -1.943 17.001 1.00 0.00 C ATOM 44 C TYR A 4 -19.804 -2.900 17.348 1.00 0.00 C ATOM 45 O TYR A 4 -19.982 -3.823 18.142 1.00 0.00 O ATOM 46 CB TYR A 4 -21.092 -1.873 15.478 1.00 0.00 C ATOM 47 CG TYR A 4 -22.532 -1.682 14.999 1.00 0.00 C ATOM 48 CD1 TYR A 4 -23.382 -2.766 14.916 1.00 0.00 C ATOM 49 CD2 TYR A 4 -22.981 -0.425 14.649 1.00 0.00 C ATOM 50 CE1 TYR A 4 -24.737 -2.587 14.464 1.00 0.00 C ATOM 51 CE2 TYR A 4 -24.337 -0.244 14.198 1.00 0.00 C ATOM 52 CZ TYR A 4 -25.148 -1.334 14.127 1.00 0.00 C ATOM 53 OH TYR A 4 -26.428 -1.164 13.701 1.00 0.00 O ATOM 0 H TYR A 4 -20.969 0.142 16.806 1.00 0.00 H new ATOM 0 HA TYR A 4 -21.848 -2.312 17.491 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -20.483 -1.051 15.103 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -20.694 -2.789 15.043 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -23.030 -3.750 15.190 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -22.316 0.423 14.713 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -25.412 -3.427 14.394 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -24.702 0.735 13.923 1.00 0.00 H new ATOM 0 HH TYR A 4 -26.582 -0.218 13.496 1.00 0.00 H new ATOM 62 N GLY A 5 -18.657 -2.646 16.737 1.00 0.00 N ATOM 63 CA GLY A 5 -17.485 -3.472 16.972 1.00 0.00 C ATOM 64 C GLY A 5 -16.212 -2.623 17.006 1.00 0.00 C ATOM 65 O GLY A 5 -16.237 -1.447 16.644 1.00 0.00 O ATOM 0 H GLY A 5 -18.514 -1.880 16.079 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -17.595 -4.006 17.916 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -17.403 -4.225 16.188 1.00 0.00 H new ATOM 69 N ASN A 6 -15.131 -3.251 17.443 1.00 0.00 N ATOM 70 CA ASN A 6 -13.852 -2.568 17.527 1.00 0.00 C ATOM 71 C ASN A 6 -13.429 -2.111 16.130 1.00 0.00 C ATOM 72 O ASN A 6 -12.650 -2.788 15.461 1.00 0.00 O ATOM 73 CB ASN A 6 -12.765 -3.498 18.070 1.00 0.00 C ATOM 74 CG ASN A 6 -11.428 -2.766 18.195 1.00 0.00 C ATOM 75 OD1 ASN A 6 -11.052 -2.281 19.249 1.00 0.00 O ATOM 76 ND2 ASN A 6 -10.732 -2.714 17.062 1.00 0.00 N ATOM 0 H ASN A 6 -15.115 -4.226 17.743 1.00 0.00 H new ATOM 0 HA ASN A 6 -13.968 -1.718 18.199 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -13.065 -3.883 19.044 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -12.653 -4.357 17.408 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -9.825 -2.247 17.041 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -11.105 -3.141 16.214 1.00 0.00 H new ATOM 82 N GLY A 7 -13.960 -0.964 15.732 1.00 0.00 N ATOM 83 CA GLY A 7 -13.647 -0.409 14.426 1.00 0.00 C ATOM 84 C GLY A 7 -14.830 -0.561 13.467 1.00 0.00 C ATOM 85 O GLY A 7 -15.005 -1.614 12.854 1.00 0.00 O ATOM 0 H GLY A 7 -14.604 -0.404 16.290 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.390 0.645 14.527 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.773 -0.912 14.013 1.00 0.00 H new ATOM 89 N VAL A 8 -15.611 0.504 13.367 1.00 0.00 N ATOM 90 CA VAL A 8 -16.771 0.501 12.494 1.00 0.00 C ATOM 91 C VAL A 8 -16.915 1.877 11.840 1.00 0.00 C ATOM 92 O VAL A 8 -16.506 2.070 10.695 1.00 0.00 O ATOM 93 CB VAL A 8 -18.016 0.079 13.278 1.00 0.00 C ATOM 94 CG1 VAL A 8 -17.926 0.536 14.735 1.00 0.00 C ATOM 95 CG2 VAL A 8 -19.289 0.609 12.614 1.00 0.00 C ATOM 0 H VAL A 8 -15.463 1.375 13.877 1.00 0.00 H new ATOM 0 HA VAL A 8 -16.644 -0.228 11.694 1.00 0.00 H new ATOM 0 HB VAL A 8 -18.064 -1.010 13.270 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -18.823 0.224 15.270 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -17.049 0.088 15.203 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -17.842 1.622 14.771 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -20.158 0.295 13.191 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -19.253 1.698 12.576 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -19.363 0.213 11.601 1.00 0.00 H new ATOM 105 N TYR A 9 -17.499 2.797 12.593 1.00 0.00 N ATOM 106 CA TYR A 9 -17.702 4.149 12.101 1.00 0.00 C ATOM 107 C TYR A 9 -16.518 4.604 11.244 1.00 0.00 C ATOM 108 O TYR A 9 -16.703 5.270 10.227 1.00 0.00 O ATOM 109 CB TYR A 9 -17.790 5.041 13.341 1.00 0.00 C ATOM 110 CG TYR A 9 -16.801 4.668 14.447 1.00 0.00 C ATOM 111 CD1 TYR A 9 -17.158 3.746 15.410 1.00 0.00 C ATOM 112 CD2 TYR A 9 -15.552 5.255 14.483 1.00 0.00 C ATOM 113 CE1 TYR A 9 -16.227 3.396 16.451 1.00 0.00 C ATOM 114 CE2 TYR A 9 -14.621 4.904 15.524 1.00 0.00 C ATOM 115 CZ TYR A 9 -15.004 3.992 16.457 1.00 0.00 C ATOM 116 OH TYR A 9 -14.125 3.661 17.440 1.00 0.00 O ATOM 0 H TYR A 9 -17.838 2.633 13.541 1.00 0.00 H new ATOM 0 HA TYR A 9 -18.599 4.202 11.484 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -17.615 6.075 13.045 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -18.803 4.991 13.741 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -18.135 3.287 15.383 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.273 5.978 13.730 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -16.494 2.676 17.211 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -13.640 5.355 15.563 1.00 0.00 H new ATOM 0 HH TYR A 9 -13.293 4.163 17.317 1.00 0.00 H new ATOM 125 N CYS A 10 -15.328 4.226 11.687 1.00 0.00 N ATOM 126 CA CYS A 10 -14.115 4.587 10.974 1.00 0.00 C ATOM 127 C CYS A 10 -14.213 4.035 9.550 1.00 0.00 C ATOM 128 O CYS A 10 -15.270 3.563 9.134 1.00 0.00 O ATOM 129 CB CYS A 10 -12.863 4.083 11.695 1.00 0.00 C ATOM 130 SG CYS A 10 -11.992 5.346 12.693 1.00 0.00 S ATOM 0 H CYS A 10 -15.178 3.673 12.531 1.00 0.00 H new ATOM 0 HA CYS A 10 -14.021 5.672 10.938 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -13.144 3.256 12.347 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -12.170 3.684 10.954 1.00 0.00 H new ATOM 134 N ASN A 11 -13.096 4.113 8.841 1.00 0.00 N ATOM 135 CA ASN A 11 -13.043 3.627 7.472 1.00 0.00 C ATOM 136 C ASN A 11 -12.757 2.124 7.480 1.00 0.00 C ATOM 137 O ASN A 11 -13.680 1.313 7.420 1.00 0.00 O ATOM 138 CB ASN A 11 -11.926 4.317 6.686 1.00 0.00 C ATOM 139 CG ASN A 11 -12.497 5.360 5.724 1.00 0.00 C ATOM 140 OD1 ASN A 11 -12.274 6.552 5.855 1.00 0.00 O ATOM 141 ND2 ASN A 11 -13.244 4.846 4.750 1.00 0.00 N ATOM 0 H ASN A 11 -12.221 4.505 9.189 1.00 0.00 H new ATOM 0 HA ASN A 11 -14.002 3.842 7.000 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.232 4.796 7.377 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.357 3.574 6.127 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.670 5.460 4.056 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -13.391 3.838 4.698 1.00 0.00 H new ATOM 147 N ASN A 12 -11.475 1.798 7.553 1.00 0.00 N ATOM 148 CA ASN A 12 -11.056 0.407 7.569 1.00 0.00 C ATOM 149 C ASN A 12 -9.546 0.331 7.338 1.00 0.00 C ATOM 150 O ASN A 12 -8.853 -0.449 7.990 1.00 0.00 O ATOM 151 CB ASN A 12 -11.745 -0.388 6.457 1.00 0.00 C ATOM 152 CG ASN A 12 -11.832 0.432 5.169 1.00 0.00 C ATOM 153 OD1 ASN A 12 -10.742 0.368 4.412 1.00 0.00 O flip ATOM 154 ND2 ASN A 12 -12.826 1.081 4.882 1.00 0.00 N flip ATOM 0 H ASN A 12 -10.712 2.474 7.602 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.327 -0.016 8.536 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -11.194 -1.309 6.269 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -12.746 -0.675 6.778 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.630 1.087 5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.852 1.617 4.015 1.00 0.00 H new ATOM 160 N LYS A 13 -9.080 1.151 6.408 1.00 0.00 N ATOM 161 CA LYS A 13 -7.663 1.187 6.083 1.00 0.00 C ATOM 162 C LYS A 13 -7.004 2.354 6.819 1.00 0.00 C ATOM 163 O LYS A 13 -5.879 2.233 7.300 1.00 0.00 O ATOM 164 CB LYS A 13 -7.463 1.225 4.566 1.00 0.00 C ATOM 165 CG LYS A 13 -8.203 2.410 3.944 1.00 0.00 C ATOM 166 CD LYS A 13 -7.552 2.834 2.627 1.00 0.00 C ATOM 167 CE LYS A 13 -8.608 3.096 1.551 1.00 0.00 C ATOM 168 NZ LYS A 13 -8.145 4.144 0.615 1.00 0.00 N ATOM 0 H LYS A 13 -9.658 1.796 5.869 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.171 0.276 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.400 1.296 4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.823 0.295 4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.245 2.141 3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.203 3.249 4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.958 3.734 2.785 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.868 2.056 2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.814 2.176 1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.543 3.405 2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.873 4.309 -0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.971 5.025 1.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.265 3.835 0.156 1.00 0.00 H new ATOM 178 N LYS A 14 -7.733 3.458 6.884 1.00 0.00 N ATOM 179 CA LYS A 14 -7.234 4.647 7.554 1.00 0.00 C ATOM 180 C LYS A 14 -8.114 4.950 8.768 1.00 0.00 C ATOM 181 O LYS A 14 -8.759 4.055 9.311 1.00 0.00 O ATOM 182 CB LYS A 14 -7.123 5.811 6.568 1.00 0.00 C ATOM 183 CG LYS A 14 -6.457 5.365 5.265 1.00 0.00 C ATOM 184 CD LYS A 14 -7.156 5.984 4.052 1.00 0.00 C ATOM 185 CE LYS A 14 -8.625 5.565 3.994 1.00 0.00 C ATOM 186 NZ LYS A 14 -9.489 6.741 3.744 1.00 0.00 N ATOM 0 H LYS A 14 -8.666 3.554 6.483 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.224 4.479 7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.116 6.208 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.546 6.619 7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.406 5.656 5.271 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.487 4.278 5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.086 7.071 4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.649 5.674 3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.768 4.827 3.205 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.911 5.089 4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.484 6.440 3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.365 7.432 4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.226 7.178 2.838 1.00 0.00 H new ATOM 196 N CYS A 15 -8.112 6.217 9.158 1.00 0.00 N ATOM 197 CA CYS A 15 -8.903 6.650 10.298 1.00 0.00 C ATOM 198 C CYS A 15 -8.101 6.371 11.572 1.00 0.00 C ATOM 199 O CYS A 15 -8.650 6.398 12.673 1.00 0.00 O ATOM 200 CB CYS A 15 -10.274 5.972 10.327 1.00 0.00 C ATOM 201 SG CYS A 15 -11.548 6.858 11.295 1.00 0.00 S ATOM 0 H CYS A 15 -7.576 6.957 8.705 1.00 0.00 H new ATOM 0 HA CYS A 15 -9.102 7.719 10.221 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -10.629 5.859 9.303 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.159 4.969 10.737 1.00 0.00 H new ATOM 205 N TRP A 16 -6.817 6.108 11.380 1.00 0.00 N ATOM 206 CA TRP A 16 -5.935 5.825 12.499 1.00 0.00 C ATOM 207 C TRP A 16 -4.502 6.139 12.064 1.00 0.00 C ATOM 208 O TRP A 16 -3.587 5.359 12.323 1.00 0.00 O ATOM 209 CB TRP A 16 -6.111 4.384 12.984 1.00 0.00 C ATOM 210 CG TRP A 16 -7.571 3.943 13.109 1.00 0.00 C ATOM 211 CD1 TRP A 16 -8.453 4.273 14.063 1.00 0.00 C ATOM 212 CD2 TRP A 16 -8.286 3.074 12.207 1.00 0.00 C ATOM 213 NE1 TRP A 16 -9.681 3.681 13.842 1.00 0.00 N ATOM 214 CE2 TRP A 16 -9.575 2.929 12.677 1.00 0.00 C ATOM 215 CE3 TRP A 16 -7.859 2.431 11.032 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -10.542 2.146 12.036 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -8.837 1.652 10.403 1.00 0.00 C ATOM 218 CH2 TRP A 16 -10.139 1.495 10.863 1.00 0.00 C ATOM 0 H TRP A 16 -6.366 6.085 10.465 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.184 6.453 13.355 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.598 3.714 12.294 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.625 4.276 13.954 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -8.231 4.920 14.899 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -10.512 3.777 14.425 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -6.856 2.530 10.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -11.545 2.049 12.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -8.560 1.136 9.495 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -10.836 0.875 10.319 1.00 0.00 H new ATOM 228 N VAL A 17 -4.353 7.281 11.411 1.00 0.00 N ATOM 229 CA VAL A 17 -3.048 7.708 10.938 1.00 0.00 C ATOM 230 C VAL A 17 -2.296 6.501 10.372 1.00 0.00 C ATOM 231 O VAL A 17 -1.136 6.273 10.713 1.00 0.00 O ATOM 232 CB VAL A 17 -2.287 8.413 12.063 1.00 0.00 C ATOM 233 CG1 VAL A 17 -2.013 7.455 13.223 1.00 0.00 C ATOM 234 CG2 VAL A 17 -0.987 9.031 11.543 1.00 0.00 C ATOM 0 H VAL A 17 -5.115 7.925 11.198 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.153 8.434 10.132 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.915 9.221 12.437 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.471 7.981 14.009 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.958 7.084 13.620 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.414 6.616 12.868 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.466 9.526 12.363 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.352 8.248 11.129 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.216 9.760 10.766 1.00 0.00 H new ATOM 244 N ASN A 18 -2.987 5.759 9.519 1.00 0.00 N ATOM 245 CA ASN A 18 -2.398 4.582 8.904 1.00 0.00 C ATOM 246 C ASN A 18 -1.819 3.678 9.994 1.00 0.00 C ATOM 247 O ASN A 18 -0.650 3.808 10.356 1.00 0.00 O ATOM 248 CB ASN A 18 -1.263 4.966 7.954 1.00 0.00 C ATOM 249 CG ASN A 18 -1.584 4.547 6.518 1.00 0.00 C ATOM 250 OD1 ASN A 18 -2.582 4.942 5.937 1.00 0.00 O ATOM 251 ND2 ASN A 18 -0.686 3.726 5.981 1.00 0.00 N ATOM 0 H ASN A 18 -3.949 5.950 9.239 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.179 4.069 8.343 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.099 6.043 7.994 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -0.337 4.490 8.277 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.810 3.388 5.027 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.127 3.435 6.523 1.00 0.00 H new ATOM 257 N ARG A 19 -2.661 2.783 10.487 1.00 0.00 N ATOM 258 CA ARG A 19 -2.247 1.858 11.528 1.00 0.00 C ATOM 259 C ARG A 19 -1.924 0.490 10.925 1.00 0.00 C ATOM 260 O ARG A 19 -1.249 -0.325 11.552 1.00 0.00 O ATOM 261 CB ARG A 19 -3.339 1.696 12.588 1.00 0.00 C ATOM 262 CG ARG A 19 -4.587 1.042 11.992 1.00 0.00 C ATOM 263 CD ARG A 19 -5.444 0.399 13.084 1.00 0.00 C ATOM 264 NE ARG A 19 -5.802 1.408 14.106 1.00 0.00 N ATOM 265 CZ ARG A 19 -6.575 1.156 15.171 1.00 0.00 C ATOM 266 NH1 ARG A 19 -7.076 -0.072 15.361 1.00 0.00 N ATOM 267 NH2 ARG A 19 -6.848 2.133 16.047 1.00 0.00 N ATOM 0 H ARG A 19 -3.630 2.678 10.185 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.356 2.270 12.001 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.964 1.089 13.412 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.597 2.671 13.002 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.173 1.789 11.457 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.293 0.286 11.263 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.348 -0.024 12.646 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.900 -0.423 13.548 1.00 0.00 H new ATOM 0 HE ARG A 19 -5.438 2.354 13.993 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.869 -0.816 14.695 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.664 -0.263 16.172 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -6.467 3.068 15.903 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.436 1.941 16.858 1.00 0.00 H new ATOM 278 N GLY A 20 -2.420 0.280 9.715 1.00 0.00 N ATOM 279 CA GLY A 20 -2.192 -0.975 9.019 1.00 0.00 C ATOM 280 C GLY A 20 -0.725 -1.117 8.609 1.00 0.00 C ATOM 281 O GLY A 20 0.000 -1.944 9.158 1.00 0.00 O ATOM 0 H GLY A 20 -2.979 0.958 9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.476 -1.808 9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.827 -1.025 8.134 1.00 0.00 H new ATOM 285 N GLU A 21 -0.331 -0.295 7.647 1.00 0.00 N ATOM 286 CA GLU A 21 1.036 -0.318 7.156 1.00 0.00 C ATOM 287 C GLU A 21 2.021 -0.254 8.326 1.00 0.00 C ATOM 288 O GLU A 21 3.142 -0.749 8.226 1.00 0.00 O ATOM 289 CB GLU A 21 1.283 0.823 6.168 1.00 0.00 C ATOM 290 CG GLU A 21 2.651 0.681 5.496 1.00 0.00 C ATOM 291 CD GLU A 21 2.851 1.755 4.425 1.00 0.00 C ATOM 292 OE1 GLU A 21 2.086 1.807 3.449 1.00 0.00 O ATOM 293 OE2 GLU A 21 3.840 2.555 4.633 1.00 0.00 O ATOM 0 H GLU A 21 -0.935 0.391 7.195 1.00 0.00 H new ATOM 0 HA GLU A 21 1.195 -1.256 6.624 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.500 0.828 5.410 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.228 1.779 6.689 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.438 0.759 6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.738 -0.308 5.045 1.00 0.00 H new ATOM 299 N ALA A 22 1.565 0.361 9.408 1.00 0.00 N ATOM 300 CA ALA A 22 2.392 0.496 10.595 1.00 0.00 C ATOM 301 C ALA A 22 2.620 -0.885 11.213 1.00 0.00 C ATOM 302 O ALA A 22 3.757 -1.268 11.483 1.00 0.00 O ATOM 303 CB ALA A 22 1.729 1.469 11.571 1.00 0.00 C ATOM 0 H ALA A 22 0.634 0.771 9.487 1.00 0.00 H new ATOM 0 HA ALA A 22 3.368 0.907 10.338 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.349 1.570 12.462 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.617 2.443 11.094 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.748 1.088 11.854 1.00 0.00 H new ATOM 309 N THR A 23 1.520 -1.594 11.418 1.00 0.00 N ATOM 310 CA THR A 23 1.586 -2.924 12.000 1.00 0.00 C ATOM 311 C THR A 23 2.103 -3.932 10.971 1.00 0.00 C ATOM 312 O THR A 23 2.870 -4.833 11.310 1.00 0.00 O ATOM 313 CB THR A 23 0.198 -3.272 12.544 1.00 0.00 C ATOM 314 OG1 THR A 23 0.399 -4.492 13.252 1.00 0.00 O ATOM 315 CG2 THR A 23 -0.790 -3.642 11.436 1.00 0.00 C ATOM 0 H THR A 23 0.579 -1.273 11.192 1.00 0.00 H new ATOM 0 HA THR A 23 2.295 -2.958 12.828 1.00 0.00 H new ATOM 0 HB THR A 23 -0.192 -2.426 13.110 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.451 -4.789 13.639 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.758 -3.880 11.876 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.900 -2.802 10.751 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.417 -4.509 10.890 1.00 0.00 H new ATOM 323 N GLN A 24 1.665 -3.744 9.735 1.00 0.00 N ATOM 324 CA GLN A 24 2.076 -4.625 8.654 1.00 0.00 C ATOM 325 C GLN A 24 3.603 -4.691 8.573 1.00 0.00 C ATOM 326 O GLN A 24 4.187 -5.766 8.697 1.00 0.00 O ATOM 327 CB GLN A 24 1.476 -4.173 7.321 1.00 0.00 C ATOM 328 CG GLN A 24 -0.039 -4.382 7.303 1.00 0.00 C ATOM 329 CD GLN A 24 -0.536 -4.677 5.885 1.00 0.00 C ATOM 330 OE1 GLN A 24 0.222 -4.710 4.930 1.00 0.00 O ATOM 331 NE2 GLN A 24 -1.846 -4.890 5.804 1.00 0.00 N ATOM 0 H GLN A 24 1.030 -2.995 9.458 1.00 0.00 H new ATOM 0 HA GLN A 24 1.699 -5.626 8.865 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.703 -3.120 7.154 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.933 -4.731 6.504 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.304 -5.207 7.964 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.537 -3.492 7.689 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.423 -4.847 6.644 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.274 -5.096 4.902 1.00 0.00 H new ATOM 338 N SER A 25 4.204 -3.529 8.368 1.00 0.00 N ATOM 339 CA SER A 25 5.651 -3.441 8.270 1.00 0.00 C ATOM 340 C SER A 25 6.274 -3.504 9.665 1.00 0.00 C ATOM 341 O SER A 25 5.743 -2.926 10.613 1.00 0.00 O ATOM 342 CB SER A 25 6.078 -2.159 7.554 1.00 0.00 C ATOM 343 OG SER A 25 5.532 -0.997 8.171 1.00 0.00 O ATOM 0 H SER A 25 3.715 -2.640 8.267 1.00 0.00 H new ATOM 0 HA SER A 25 6.006 -4.287 7.682 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.166 -2.091 7.551 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.758 -2.201 6.513 1.00 0.00 H new ATOM 0 HG SER A 25 4.667 -0.785 7.762 1.00 0.00 H new ATOM 348 N ILE A 26 7.392 -4.209 9.748 1.00 0.00 N ATOM 349 CA ILE A 26 8.094 -4.355 11.012 1.00 0.00 C ATOM 350 C ILE A 26 8.679 -3.002 11.424 1.00 0.00 C ATOM 351 O ILE A 26 8.502 -2.566 12.560 1.00 0.00 O ATOM 352 CB ILE A 26 9.135 -5.473 10.922 1.00 0.00 C ATOM 353 CG1 ILE A 26 8.463 -6.829 10.700 1.00 0.00 C ATOM 354 CG2 ILE A 26 10.042 -5.477 12.155 1.00 0.00 C ATOM 355 CD1 ILE A 26 9.284 -7.697 9.743 1.00 0.00 C ATOM 0 H ILE A 26 7.830 -4.686 8.960 1.00 0.00 H new ATOM 0 HA ILE A 26 7.403 -4.658 11.799 1.00 0.00 H new ATOM 0 HB ILE A 26 9.769 -5.282 10.056 1.00 0.00 H new ATOM 0 HG12 ILE A 26 8.348 -7.343 11.655 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.462 -6.681 10.295 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.773 -6.281 12.066 1.00 0.00 H new ATOM 0 HG22 ILE A 26 10.561 -4.521 12.228 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.439 -5.632 13.050 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.785 -8.656 9.602 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.377 -7.191 8.782 1.00 0.00 H new ATOM 0 HD13 ILE A 26 10.276 -7.863 10.163 1.00 0.00 H new ATOM 366 N ILE A 27 9.362 -2.376 10.478 1.00 0.00 N ATOM 367 CA ILE A 27 9.975 -1.082 10.728 1.00 0.00 C ATOM 368 C ILE A 27 8.931 -0.136 11.324 1.00 0.00 C ATOM 369 O ILE A 27 9.252 0.690 12.177 1.00 0.00 O ATOM 370 CB ILE A 27 10.634 -0.547 9.455 1.00 0.00 C ATOM 371 CG1 ILE A 27 11.756 0.438 9.793 1.00 0.00 C ATOM 372 CG2 ILE A 27 9.595 0.068 8.516 1.00 0.00 C ATOM 373 CD1 ILE A 27 12.981 0.199 8.906 1.00 0.00 C ATOM 0 H ILE A 27 9.505 -2.741 9.536 1.00 0.00 H new ATOM 0 HA ILE A 27 10.777 -1.175 11.460 1.00 0.00 H new ATOM 0 HB ILE A 27 11.088 -1.385 8.926 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.400 1.460 9.660 1.00 0.00 H new ATOM 0 HG13 ILE A 27 12.035 0.331 10.841 1.00 0.00 H new ATOM 0 HG21 ILE A 27 10.090 0.440 7.619 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.862 -0.690 8.238 1.00 0.00 H new ATOM 0 HG23 ILE A 27 9.091 0.892 9.021 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.763 0.912 9.166 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.349 -0.816 9.059 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.704 0.330 7.860 1.00 0.00 H new ATOM 384 N GLY A 28 7.702 -0.288 10.851 1.00 0.00 N ATOM 385 CA GLY A 28 6.609 0.543 11.326 1.00 0.00 C ATOM 386 C GLY A 28 6.728 0.797 12.831 1.00 0.00 C ATOM 387 O GLY A 28 6.400 1.883 13.308 1.00 0.00 O ATOM 0 H GLY A 28 7.440 -0.974 10.144 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.611 1.493 10.792 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.657 0.057 11.109 1.00 0.00 H new ATOM 391 N GLY A 29 7.200 -0.220 13.535 1.00 0.00 N ATOM 392 CA GLY A 29 7.367 -0.120 14.975 1.00 0.00 C ATOM 393 C GLY A 29 8.564 0.764 15.328 1.00 0.00 C ATOM 394 O GLY A 29 8.461 1.644 16.182 1.00 0.00 O ATOM 0 H GLY A 29 7.472 -1.118 13.135 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.462 0.292 15.422 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.508 -1.115 15.398 1.00 0.00 H new ATOM 398 N MET A 30 9.674 0.500 14.653 1.00 0.00 N ATOM 399 CA MET A 30 10.890 1.261 14.884 1.00 0.00 C ATOM 400 C MET A 30 10.697 2.731 14.506 1.00 0.00 C ATOM 401 O MET A 30 11.015 3.624 15.289 1.00 0.00 O ATOM 402 CB MET A 30 12.030 0.665 14.057 1.00 0.00 C ATOM 403 CG MET A 30 12.748 -0.443 14.830 1.00 0.00 C ATOM 404 SD MET A 30 14.018 0.261 15.868 1.00 0.00 S ATOM 405 CE MET A 30 14.858 -1.227 16.382 1.00 0.00 C ATOM 0 H MET A 30 9.756 -0.231 13.946 1.00 0.00 H new ATOM 0 HA MET A 30 11.134 1.208 15.945 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.636 0.265 13.123 1.00 0.00 H new ATOM 0 HB3 MET A 30 12.741 1.448 13.793 1.00 0.00 H new ATOM 0 HG2 MET A 30 12.033 -0.994 15.440 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.190 -1.156 14.134 1.00 0.00 H new ATOM 0 HE1 MET A 30 15.686 -0.968 17.041 1.00 0.00 H new ATOM 0 HE2 MET A 30 14.160 -1.874 16.913 1.00 0.00 H new ATOM 0 HE3 MET A 30 15.242 -1.749 15.506 1.00 0.00 H new ATOM 413 N ILE A 31 10.178 2.936 13.303 1.00 0.00 N ATOM 414 CA ILE A 31 9.941 4.282 12.811 1.00 0.00 C ATOM 415 C ILE A 31 9.076 5.043 13.818 1.00 0.00 C ATOM 416 O ILE A 31 9.448 6.125 14.269 1.00 0.00 O ATOM 417 CB ILE A 31 9.349 4.240 11.401 1.00 0.00 C ATOM 418 CG1 ILE A 31 9.118 5.652 10.861 1.00 0.00 C ATOM 419 CG2 ILE A 31 8.073 3.397 11.366 1.00 0.00 C ATOM 420 CD1 ILE A 31 8.479 5.611 9.471 1.00 0.00 C ATOM 0 H ILE A 31 9.916 2.193 12.656 1.00 0.00 H new ATOM 0 HA ILE A 31 10.881 4.826 12.721 1.00 0.00 H new ATOM 0 HB ILE A 31 10.071 3.758 10.742 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.474 6.206 11.545 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.067 6.186 10.813 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.673 3.384 10.352 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.301 2.378 11.679 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.334 3.827 12.042 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.326 6.628 9.111 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.136 5.078 8.784 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.519 5.097 9.527 1.00 0.00 H new ATOM 431 N SER A 32 7.936 4.448 14.140 1.00 0.00 N ATOM 432 CA SER A 32 7.016 5.056 15.086 1.00 0.00 C ATOM 433 C SER A 32 7.786 5.603 16.289 1.00 0.00 C ATOM 434 O SER A 32 7.436 6.652 16.830 1.00 0.00 O ATOM 435 CB SER A 32 5.956 4.054 15.545 1.00 0.00 C ATOM 436 OG SER A 32 4.798 4.700 16.067 1.00 0.00 O ATOM 0 H SER A 32 7.629 3.552 13.762 1.00 0.00 H new ATOM 0 HA SER A 32 6.506 5.879 14.585 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.670 3.420 14.706 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.381 3.401 16.307 1.00 0.00 H new ATOM 0 HG SER A 32 4.145 4.025 16.347 1.00 0.00 H new ATOM 441 N GLY A 33 8.819 4.868 16.673 1.00 0.00 N ATOM 442 CA GLY A 33 9.642 5.267 17.802 1.00 0.00 C ATOM 443 C GLY A 33 10.527 6.462 17.441 1.00 0.00 C ATOM 444 O GLY A 33 10.748 7.348 18.266 1.00 0.00 O ATOM 0 H GLY A 33 9.105 3.999 16.223 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.005 5.524 18.648 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.266 4.430 18.116 1.00 0.00 H new ATOM 448 N TRP A 34 11.011 6.447 16.208 1.00 0.00 N ATOM 449 CA TRP A 34 11.868 7.519 15.727 1.00 0.00 C ATOM 450 C TRP A 34 11.094 8.833 15.849 1.00 0.00 C ATOM 451 O TRP A 34 11.586 9.795 16.436 1.00 0.00 O ATOM 452 CB TRP A 34 12.350 7.238 14.303 1.00 0.00 C ATOM 453 CG TRP A 34 13.503 8.136 13.849 1.00 0.00 C ATOM 454 CD1 TRP A 34 14.644 8.405 14.498 1.00 0.00 C ATOM 455 CD2 TRP A 34 13.581 8.875 12.611 1.00 0.00 C ATOM 456 NE1 TRP A 34 15.448 9.261 13.772 1.00 0.00 N ATOM 457 CE2 TRP A 34 14.781 9.555 12.589 1.00 0.00 C ATOM 458 CE3 TRP A 34 12.667 8.966 11.547 1.00 0.00 C ATOM 459 CZ2 TRP A 34 15.178 10.375 11.525 1.00 0.00 C ATOM 460 CZ3 TRP A 34 13.077 9.789 10.491 1.00 0.00 C ATOM 461 CH2 TRP A 34 14.283 10.480 10.453 1.00 0.00 C ATOM 0 H TRP A 34 10.827 5.710 15.527 1.00 0.00 H new ATOM 0 HA TRP A 34 12.773 7.591 16.331 1.00 0.00 H new ATOM 0 HB2 TRP A 34 12.665 6.197 14.236 1.00 0.00 H new ATOM 0 HB3 TRP A 34 11.513 7.363 13.616 1.00 0.00 H new ATOM 0 HD1 TRP A 34 14.902 8.003 15.467 1.00 0.00 H new ATOM 0 HE1 TRP A 34 16.363 9.613 14.052 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.723 8.442 11.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 16.123 10.898 11.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 12.410 9.894 9.648 1.00 0.00 H new ATOM 0 HH2 TRP A 34 14.529 11.095 9.600 1.00 0.00 H new ATOM 471 N ALA A 35 9.896 8.832 15.283 1.00 0.00 N ATOM 472 CA ALA A 35 9.049 10.012 15.322 1.00 0.00 C ATOM 473 C ALA A 35 8.661 10.309 16.770 1.00 0.00 C ATOM 474 O ALA A 35 8.575 11.470 17.169 1.00 0.00 O ATOM 475 CB ALA A 35 7.830 9.795 14.423 1.00 0.00 C ATOM 0 H ALA A 35 9.492 8.033 14.795 1.00 0.00 H new ATOM 0 HA ALA A 35 9.584 10.882 14.941 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.194 10.680 14.452 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.160 9.618 13.399 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.266 8.932 14.777 1.00 0.00 H new ATOM 481 N SER A 36 8.435 9.241 17.520 1.00 0.00 N ATOM 482 CA SER A 36 8.057 9.373 18.917 1.00 0.00 C ATOM 483 C SER A 36 9.157 10.105 19.690 1.00 0.00 C ATOM 484 O SER A 36 8.869 10.889 20.593 1.00 0.00 O ATOM 485 CB SER A 36 7.786 8.005 19.546 1.00 0.00 C ATOM 486 OG SER A 36 7.144 8.118 20.814 1.00 0.00 O ATOM 0 H SER A 36 8.506 8.280 17.187 1.00 0.00 H new ATOM 0 HA SER A 36 7.137 9.955 18.969 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.162 7.415 18.875 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.727 7.467 19.663 1.00 0.00 H new ATOM 0 HG SER A 36 6.987 7.223 21.182 1.00 0.00 H new ATOM 491 N GLY A 37 10.393 9.821 19.308 1.00 0.00 N ATOM 492 CA GLY A 37 11.537 10.442 19.953 1.00 0.00 C ATOM 493 C GLY A 37 11.658 11.915 19.556 1.00 0.00 C ATOM 494 O GLY A 37 11.796 12.785 20.415 1.00 0.00 O ATOM 0 H GLY A 37 10.627 9.169 18.560 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.437 10.360 21.035 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.448 9.911 19.676 1.00 0.00 H new ATOM 498 N LEU A 38 11.602 12.149 18.253 1.00 0.00 N ATOM 499 CA LEU A 38 11.704 13.501 17.731 1.00 0.00 C ATOM 500 C LEU A 38 10.617 14.371 18.364 1.00 0.00 C ATOM 501 O LEU A 38 10.903 15.449 18.884 1.00 0.00 O ATOM 502 CB LEU A 38 11.669 13.490 16.201 1.00 0.00 C ATOM 503 CG LEU A 38 12.688 12.579 15.513 1.00 0.00 C ATOM 504 CD1 LEU A 38 12.154 12.072 14.172 1.00 0.00 C ATOM 505 CD2 LEU A 38 14.038 13.282 15.364 1.00 0.00 C ATOM 0 H LEU A 38 11.487 11.425 17.544 1.00 0.00 H new ATOM 0 HA LEU A 38 12.664 13.941 18.001 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.670 13.191 15.882 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.825 14.509 15.846 1.00 0.00 H new ATOM 0 HG LEU A 38 12.848 11.706 16.146 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.898 11.427 13.704 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.236 11.508 14.336 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.947 12.920 13.519 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.744 12.613 14.872 1.00 0.00 H new ATOM 0 HD22 LEU A 38 13.914 14.184 14.764 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.419 13.551 16.349 1.00 0.00 H new ATOM 516 N ALA A 39 9.391 13.872 18.301 1.00 0.00 N ATOM 517 CA ALA A 39 8.260 14.590 18.862 1.00 0.00 C ATOM 518 C ALA A 39 8.410 14.661 20.383 1.00 0.00 C ATOM 519 O ALA A 39 7.866 15.560 21.022 1.00 0.00 O ATOM 520 CB ALA A 39 6.959 13.907 18.435 1.00 0.00 C ATOM 0 H ALA A 39 9.157 12.978 17.869 1.00 0.00 H new ATOM 0 HA ALA A 39 8.230 15.613 18.486 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.110 14.446 18.856 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.887 13.909 17.347 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.952 12.879 18.797 1.00 0.00 H new ATOM 526 N GLY A 40 9.149 13.700 20.918 1.00 0.00 N ATOM 527 CA GLY A 40 9.376 13.642 22.352 1.00 0.00 C ATOM 528 C GLY A 40 10.345 14.740 22.797 1.00 0.00 C ATOM 529 O GLY A 40 11.460 14.451 23.230 1.00 0.00 O ATOM 0 H GLY A 40 9.598 12.956 20.384 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.428 13.753 22.879 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.778 12.665 22.621 1.00 0.00 H new ATOM 533 N MET A 41 9.884 15.976 22.677 1.00 0.00 N ATOM 534 CA MET A 41 10.695 17.118 23.063 1.00 0.00 C ATOM 535 C MET A 41 10.760 17.256 24.585 1.00 0.00 C ATOM 536 O MET A 41 11.593 16.626 25.234 1.00 0.00 O ATOM 537 CB MET A 41 10.102 18.393 22.458 1.00 0.00 C ATOM 538 CG MET A 41 11.162 19.490 22.345 1.00 0.00 C ATOM 539 SD MET A 41 11.247 20.417 23.868 1.00 0.00 S ATOM 540 CE MET A 41 12.878 19.951 24.424 1.00 0.00 C ATOM 0 H MET A 41 8.959 16.212 22.318 1.00 0.00 H new ATOM 0 HA MET A 41 11.707 16.964 22.689 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.692 18.175 21.472 1.00 0.00 H new ATOM 0 HB3 MET A 41 9.276 18.743 23.076 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.133 19.047 22.125 1.00 0.00 H new ATOM 0 HG3 MET A 41 10.920 20.157 21.517 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.953 20.103 25.501 1.00 0.00 H new ATOM 0 HE2 MET A 41 13.055 18.901 24.193 1.00 0.00 H new ATOM 0 HE3 MET A 41 13.624 20.564 23.918 1.00 0.00 H new TER 548 MET A 41