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 Set 1.1: A 11 ASN : amide:sc= -1.89 X(o=-8.2,f=-8.4!) USER MOD Set 1.2: A 12 ASN :FLIP amide:sc= -6.3! C(o=-12!,f=-8.2!) USER MOD Set 1.3: A 14 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0.485 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.871 X(o=-0.87,f=-0.53) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -2.72! C(o=-2.7!,f=-5!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.155 K(o=-0.16,f=-0.97) USER MOD Single : A 25 SER OG : rot 180:sc= 0 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 90:sc= 0.893 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -24.637 7.182 4.245 1.00 0.00 N ATOM 2 CA ALA A 1 -25.198 6.087 5.019 1.00 0.00 C ATOM 3 C ALA A 1 -24.094 5.443 5.859 1.00 0.00 C ATOM 4 O ALA A 1 -24.191 5.394 7.084 1.00 0.00 O ATOM 5 CB ALA A 1 -25.872 5.088 4.076 1.00 0.00 C ATOM 0 H1 ALA A 1 -25.386 7.622 3.673 1.00 0.00 H new ATOM 0 H2 ALA A 1 -24.232 7.891 4.889 1.00 0.00 H new ATOM 0 H3 ALA A 1 -23.891 6.818 3.618 1.00 0.00 H new ATOM 0 HA ALA A 1 -25.962 6.454 5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -26.293 4.267 4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -26.668 5.588 3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -25.136 4.696 3.374 1.00 0.00 H new ATOM 11 N ARG A 2 -23.071 4.965 5.167 1.00 0.00 N ATOM 12 CA ARG A 2 -21.950 4.326 5.835 1.00 0.00 C ATOM 13 C ARG A 2 -22.432 3.121 6.647 1.00 0.00 C ATOM 14 O ARG A 2 -23.187 3.277 7.606 1.00 0.00 O ATOM 15 CB ARG A 2 -21.232 5.304 6.765 1.00 0.00 C ATOM 16 CG ARG A 2 -19.738 4.985 6.850 1.00 0.00 C ATOM 17 CD ARG A 2 -18.901 6.265 6.812 1.00 0.00 C ATOM 18 NE ARG A 2 -18.660 6.753 8.189 1.00 0.00 N ATOM 19 CZ ARG A 2 -17.658 7.575 8.530 1.00 0.00 C ATOM 20 NH1 ARG A 2 -16.798 8.007 7.598 1.00 0.00 N ATOM 21 NH2 ARG A 2 -17.517 7.966 9.804 1.00 0.00 N ATOM 0 H ARG A 2 -22.995 5.007 4.151 1.00 0.00 H new ATOM 0 HA ARG A 2 -21.252 3.995 5.066 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -21.370 6.323 6.403 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -21.675 5.257 7.760 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -19.531 4.438 7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -19.454 4.335 6.022 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -17.951 6.073 6.314 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -19.417 7.030 6.231 1.00 0.00 H new ATOM 0 HE ARG A 2 -19.296 6.444 8.924 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -16.906 7.710 6.628 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -16.036 8.633 7.858 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -18.172 7.638 10.514 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.755 8.592 10.064 1.00 0.00 H new ATOM 32 N SER A 3 -21.976 1.948 6.233 1.00 0.00 N ATOM 33 CA SER A 3 -22.352 0.718 6.911 1.00 0.00 C ATOM 34 C SER A 3 -21.176 -0.260 6.909 1.00 0.00 C ATOM 35 O SER A 3 -20.386 -0.288 7.852 1.00 0.00 O ATOM 36 CB SER A 3 -23.576 0.078 6.251 1.00 0.00 C ATOM 37 OG SER A 3 -23.435 -0.009 4.835 1.00 0.00 O ATOM 0 H SER A 3 -21.350 1.823 5.437 1.00 0.00 H new ATOM 0 HA SER A 3 -22.613 0.960 7.941 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.729 -0.920 6.662 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.464 0.662 6.492 1.00 0.00 H new ATOM 0 HG SER A 3 -24.235 -0.424 4.451 1.00 0.00 H new ATOM 42 N TYR A 4 -21.095 -1.038 5.840 1.00 0.00 N ATOM 43 CA TYR A 4 -20.028 -2.015 5.704 1.00 0.00 C ATOM 44 C TYR A 4 -19.786 -2.750 7.024 1.00 0.00 C ATOM 45 O TYR A 4 -20.630 -2.720 7.919 1.00 0.00 O ATOM 46 CB TYR A 4 -18.773 -1.220 5.337 1.00 0.00 C ATOM 47 CG TYR A 4 -18.990 -0.193 4.224 1.00 0.00 C ATOM 48 CD1 TYR A 4 -18.835 -0.565 2.903 1.00 0.00 C ATOM 49 CD2 TYR A 4 -19.339 1.103 4.540 1.00 0.00 C ATOM 50 CE1 TYR A 4 -19.038 0.401 1.855 1.00 0.00 C ATOM 51 CE2 TYR A 4 -19.543 2.070 3.492 1.00 0.00 C ATOM 52 CZ TYR A 4 -19.382 1.671 2.202 1.00 0.00 C ATOM 53 OH TYR A 4 -19.574 2.584 1.212 1.00 0.00 O ATOM 0 H TYR A 4 -21.751 -1.012 5.059 1.00 0.00 H new ATOM 0 HA TYR A 4 -20.284 -2.762 4.952 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -18.409 -0.705 6.226 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -17.992 -1.915 5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -18.562 -1.580 2.656 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -19.459 1.393 5.573 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -18.920 0.124 0.818 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -19.817 3.088 3.725 1.00 0.00 H new ATOM 0 HH TYR A 4 -19.816 3.448 1.606 1.00 0.00 H new ATOM 62 N GLY A 5 -18.629 -3.390 7.104 1.00 0.00 N ATOM 63 CA GLY A 5 -18.265 -4.130 8.299 1.00 0.00 C ATOM 64 C GLY A 5 -16.756 -4.064 8.547 1.00 0.00 C ATOM 65 O GLY A 5 -16.047 -3.305 7.887 1.00 0.00 O ATOM 0 H GLY A 5 -17.931 -3.411 6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -18.797 -3.723 9.159 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -18.575 -5.170 8.196 1.00 0.00 H new ATOM 69 N ASN A 6 -16.309 -4.869 9.499 1.00 0.00 N ATOM 70 CA ASN A 6 -14.897 -4.911 9.842 1.00 0.00 C ATOM 71 C ASN A 6 -14.483 -3.567 10.442 1.00 0.00 C ATOM 72 O ASN A 6 -13.434 -3.025 10.095 1.00 0.00 O ATOM 73 CB ASN A 6 -14.036 -5.162 8.603 1.00 0.00 C ATOM 74 CG ASN A 6 -12.587 -5.454 8.992 1.00 0.00 C ATOM 75 OD1 ASN A 6 -12.273 -6.457 9.612 1.00 0.00 O ATOM 76 ND2 ASN A 6 -11.722 -4.524 8.595 1.00 0.00 N ATOM 0 H ASN A 6 -16.899 -5.498 10.044 1.00 0.00 H new ATOM 0 HA ASN A 6 -14.747 -5.722 10.555 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -14.441 -6.002 8.039 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -14.072 -4.291 7.948 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -10.730 -4.627 8.806 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -12.051 -3.708 8.079 1.00 0.00 H new ATOM 82 N GLY A 7 -15.326 -3.067 11.334 1.00 0.00 N ATOM 83 CA GLY A 7 -15.059 -1.796 11.987 1.00 0.00 C ATOM 84 C GLY A 7 -14.775 -0.701 10.957 1.00 0.00 C ATOM 85 O GLY A 7 -13.681 -0.140 10.928 1.00 0.00 O ATOM 0 H GLY A 7 -16.194 -3.519 11.620 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.914 -1.511 12.600 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.206 -1.900 12.658 1.00 0.00 H new ATOM 89 N VAL A 8 -15.779 -0.430 10.136 1.00 0.00 N ATOM 90 CA VAL A 8 -15.650 0.588 9.107 1.00 0.00 C ATOM 91 C VAL A 8 -15.809 1.971 9.742 1.00 0.00 C ATOM 92 O VAL A 8 -15.162 2.930 9.321 1.00 0.00 O ATOM 93 CB VAL A 8 -16.655 0.327 7.984 1.00 0.00 C ATOM 94 CG1 VAL A 8 -17.954 1.101 8.219 1.00 0.00 C ATOM 95 CG2 VAL A 8 -16.053 0.667 6.619 1.00 0.00 C ATOM 0 H VAL A 8 -16.685 -0.898 10.162 1.00 0.00 H new ATOM 0 HA VAL A 8 -14.659 0.550 8.654 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.894 -0.737 7.989 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -18.651 0.897 7.406 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -18.398 0.788 9.164 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -17.740 2.169 8.254 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.788 0.472 5.838 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.771 1.720 6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.170 0.051 6.447 1.00 0.00 H new ATOM 105 N TYR A 9 -16.674 2.032 10.743 1.00 0.00 N ATOM 106 CA TYR A 9 -16.926 3.282 11.440 1.00 0.00 C ATOM 107 C TYR A 9 -16.541 3.173 12.916 1.00 0.00 C ATOM 108 O TYR A 9 -17.359 3.434 13.796 1.00 0.00 O ATOM 109 CB TYR A 9 -18.432 3.526 11.335 1.00 0.00 C ATOM 110 CG TYR A 9 -19.277 2.254 11.424 1.00 0.00 C ATOM 111 CD1 TYR A 9 -19.050 1.343 12.436 1.00 0.00 C ATOM 112 CD2 TYR A 9 -20.267 2.016 10.492 1.00 0.00 C ATOM 113 CE1 TYR A 9 -19.845 0.145 12.518 1.00 0.00 C ATOM 114 CE2 TYR A 9 -21.062 0.819 10.576 1.00 0.00 C ATOM 115 CZ TYR A 9 -20.812 -0.057 11.584 1.00 0.00 C ATOM 116 OH TYR A 9 -21.563 -1.189 11.663 1.00 0.00 O ATOM 0 H TYR A 9 -17.210 1.236 11.089 1.00 0.00 H new ATOM 0 HA TYR A 9 -16.340 4.091 11.003 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -18.735 4.208 12.130 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -18.644 4.025 10.389 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -18.276 1.529 13.166 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -20.445 2.728 9.700 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -19.677 -0.577 13.304 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -21.840 0.622 9.854 1.00 0.00 H new ATOM 0 HH TYR A 9 -22.215 -1.200 10.932 1.00 0.00 H new ATOM 125 N CYS A 10 -15.293 2.789 13.143 1.00 0.00 N ATOM 126 CA CYS A 10 -14.789 2.643 14.498 1.00 0.00 C ATOM 127 C CYS A 10 -15.591 1.541 15.194 1.00 0.00 C ATOM 128 O CYS A 10 -16.556 1.024 14.633 1.00 0.00 O ATOM 129 CB CYS A 10 -14.847 3.963 15.268 1.00 0.00 C ATOM 130 SG CYS A 10 -14.317 5.432 14.314 1.00 0.00 S ATOM 0 H CYS A 10 -14.616 2.575 12.411 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.737 2.361 14.468 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -15.869 4.121 15.614 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.220 3.878 16.155 1.00 0.00 H new ATOM 134 N ASN A 11 -15.162 1.215 16.403 1.00 0.00 N ATOM 135 CA ASN A 11 -15.829 0.184 17.182 1.00 0.00 C ATOM 136 C ASN A 11 -16.987 0.809 17.961 1.00 0.00 C ATOM 137 O ASN A 11 -18.151 0.509 17.699 1.00 0.00 O ATOM 138 CB ASN A 11 -14.869 -0.453 18.188 1.00 0.00 C ATOM 139 CG ASN A 11 -15.474 -1.720 18.796 1.00 0.00 C ATOM 140 OD1 ASN A 11 -16.321 -2.376 18.213 1.00 0.00 O ATOM 141 ND2 ASN A 11 -14.993 -2.027 19.997 1.00 0.00 N ATOM 0 H ASN A 11 -14.360 1.646 16.864 1.00 0.00 H new ATOM 0 HA ASN A 11 -16.188 -0.581 16.493 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -13.928 -0.696 17.695 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -14.639 0.261 18.979 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -15.333 -2.855 20.486 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -14.284 -1.434 20.429 1.00 0.00 H new ATOM 147 N ASN A 12 -16.628 1.666 18.905 1.00 0.00 N ATOM 148 CA ASN A 12 -17.624 2.336 19.725 1.00 0.00 C ATOM 149 C ASN A 12 -16.998 3.574 20.369 1.00 0.00 C ATOM 150 O ASN A 12 -17.379 4.701 20.056 1.00 0.00 O ATOM 151 CB ASN A 12 -18.120 1.420 20.846 1.00 0.00 C ATOM 152 CG ASN A 12 -18.175 -0.036 20.380 1.00 0.00 C ATOM 153 OD1 ASN A 12 -17.134 -0.767 20.769 1.00 0.00 O flip ATOM 154 ND2 ASN A 12 -19.101 -0.467 19.714 1.00 0.00 N flip ATOM 0 H ASN A 12 -15.662 1.912 19.121 1.00 0.00 H new ATOM 0 HA ASN A 12 -18.462 2.608 19.084 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.459 1.505 21.709 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -19.110 1.740 21.170 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -19.869 0.150 19.450 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -19.107 -1.444 19.421 1.00 0.00 H new ATOM 160 N LYS A 13 -16.047 3.324 21.258 1.00 0.00 N ATOM 161 CA LYS A 13 -15.365 4.405 21.949 1.00 0.00 C ATOM 162 C LYS A 13 -14.033 4.690 21.251 1.00 0.00 C ATOM 163 O LYS A 13 -13.604 5.840 21.171 1.00 0.00 O ATOM 164 CB LYS A 13 -15.223 4.083 23.437 1.00 0.00 C ATOM 165 CG LYS A 13 -14.223 2.946 23.660 1.00 0.00 C ATOM 166 CD LYS A 13 -14.706 2.000 24.762 1.00 0.00 C ATOM 167 CE LYS A 13 -13.849 2.145 26.021 1.00 0.00 C ATOM 168 NZ LYS A 13 -14.372 1.284 27.106 1.00 0.00 N ATOM 0 H LYS A 13 -15.733 2.388 21.515 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.954 5.321 21.899 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -14.894 4.972 23.975 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.194 3.804 23.846 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.086 2.390 22.733 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.251 3.359 23.930 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.748 2.214 25.000 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.666 0.970 24.406 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.817 1.874 25.799 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.842 3.186 26.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.779 1.394 27.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.349 1.561 27.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.356 0.290 26.799 1.00 0.00 H new ATOM 178 N LYS A 14 -13.417 3.624 20.763 1.00 0.00 N ATOM 179 CA LYS A 14 -12.143 3.745 20.075 1.00 0.00 C ATOM 180 C LYS A 14 -12.394 3.935 18.577 1.00 0.00 C ATOM 181 O LYS A 14 -13.479 4.349 18.173 1.00 0.00 O ATOM 182 CB LYS A 14 -11.242 2.553 20.400 1.00 0.00 C ATOM 183 CG LYS A 14 -11.144 2.338 21.912 1.00 0.00 C ATOM 184 CD LYS A 14 -11.735 0.985 22.313 1.00 0.00 C ATOM 185 CE LYS A 14 -10.968 -0.165 21.657 1.00 0.00 C ATOM 186 NZ LYS A 14 -11.884 -1.283 21.338 1.00 0.00 N ATOM 0 H LYS A 14 -13.776 2.672 20.830 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.604 4.626 20.424 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.636 1.654 19.926 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.247 2.721 19.987 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.101 2.390 22.223 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.672 3.138 22.432 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.702 0.877 23.397 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.784 0.941 22.020 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.483 0.186 20.747 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.180 -0.512 22.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.353 -2.177 21.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.637 -1.330 22.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.307 -1.128 20.401 1.00 0.00 H new ATOM 196 N CYS A 15 -11.372 3.624 17.794 1.00 0.00 N ATOM 197 CA CYS A 15 -11.467 3.755 16.350 1.00 0.00 C ATOM 198 C CYS A 15 -10.197 3.171 15.729 1.00 0.00 C ATOM 199 O CYS A 15 -9.679 3.704 14.749 1.00 0.00 O ATOM 200 CB CYS A 15 -11.692 5.208 15.928 1.00 0.00 C ATOM 201 SG CYS A 15 -12.320 5.424 14.223 1.00 0.00 S ATOM 0 H CYS A 15 -10.473 3.281 18.133 1.00 0.00 H new ATOM 0 HA CYS A 15 -12.334 3.202 15.989 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -12.397 5.668 16.621 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -10.751 5.750 16.025 1.00 0.00 H new ATOM 205 N TRP A 16 -9.732 2.083 16.325 1.00 0.00 N ATOM 206 CA TRP A 16 -8.532 1.421 15.844 1.00 0.00 C ATOM 207 C TRP A 16 -7.328 2.280 16.234 1.00 0.00 C ATOM 208 O TRP A 16 -6.599 1.946 17.167 1.00 0.00 O ATOM 209 CB TRP A 16 -8.618 1.159 14.339 1.00 0.00 C ATOM 210 CG TRP A 16 -10.044 1.161 13.786 1.00 0.00 C ATOM 211 CD1 TRP A 16 -10.532 1.874 12.762 1.00 0.00 C ATOM 212 CD2 TRP A 16 -11.156 0.379 14.273 1.00 0.00 C ATOM 213 NE1 TRP A 16 -11.870 1.611 12.554 1.00 0.00 N ATOM 214 CE2 TRP A 16 -12.262 0.674 13.503 1.00 0.00 C ATOM 215 CE3 TRP A 16 -11.224 -0.545 15.331 1.00 0.00 C ATOM 216 CZ2 TRP A 16 -13.516 0.087 13.707 1.00 0.00 C ATOM 217 CZ3 TRP A 16 -12.485 -1.122 15.522 1.00 0.00 C ATOM 218 CH2 TRP A 16 -13.608 -0.837 14.754 1.00 0.00 C ATOM 0 H TRP A 16 -10.165 1.643 17.137 1.00 0.00 H new ATOM 0 HA TRP A 16 -8.422 0.440 16.305 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -8.035 1.917 13.815 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -8.157 0.196 14.122 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -9.951 2.568 12.173 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -12.463 2.027 11.836 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -10.371 -0.790 15.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -14.367 0.334 13.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -12.593 -1.839 16.322 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -14.547 -1.327 14.964 1.00 0.00 H new ATOM 228 N VAL A 17 -7.156 3.370 15.501 1.00 0.00 N ATOM 229 CA VAL A 17 -6.053 4.279 15.758 1.00 0.00 C ATOM 230 C VAL A 17 -4.730 3.549 15.519 1.00 0.00 C ATOM 231 O VAL A 17 -4.505 2.469 16.064 1.00 0.00 O ATOM 232 CB VAL A 17 -6.171 4.857 17.170 1.00 0.00 C ATOM 233 CG1 VAL A 17 -4.820 5.381 17.663 1.00 0.00 C ATOM 234 CG2 VAL A 17 -7.237 5.953 17.226 1.00 0.00 C ATOM 0 H VAL A 17 -7.763 3.644 14.728 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.086 5.125 15.071 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.482 4.052 17.836 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.932 5.786 18.669 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.097 4.565 17.679 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.467 6.165 16.993 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.301 6.347 18.240 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.969 6.757 16.541 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.202 5.537 16.937 1.00 0.00 H new ATOM 244 N ASN A 18 -3.888 4.169 14.704 1.00 0.00 N ATOM 245 CA ASN A 18 -2.593 3.591 14.386 1.00 0.00 C ATOM 246 C ASN A 18 -2.749 2.085 14.175 1.00 0.00 C ATOM 247 O ASN A 18 -2.588 1.302 15.111 1.00 0.00 O ATOM 248 CB ASN A 18 -1.599 3.809 15.529 1.00 0.00 C ATOM 249 CG ASN A 18 -0.434 4.693 15.080 1.00 0.00 C ATOM 250 OD1 ASN A 18 -0.434 5.265 14.002 1.00 0.00 O ATOM 251 ND2 ASN A 18 0.556 4.775 15.965 1.00 0.00 N ATOM 0 H ASN A 18 -4.077 5.065 14.255 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.219 4.076 13.484 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.107 4.273 16.375 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.219 2.847 15.874 1.00 0.00 H new ATOM 0 HD21 ASN A 18 1.378 5.342 15.759 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.493 4.271 16.849 1.00 0.00 H new ATOM 257 N ARG A 19 -3.061 1.721 12.938 1.00 0.00 N ATOM 258 CA ARG A 19 -3.240 0.322 12.593 1.00 0.00 C ATOM 259 C ARG A 19 -2.067 -0.170 11.742 1.00 0.00 C ATOM 260 O ARG A 19 -1.550 -1.264 11.962 1.00 0.00 O ATOM 261 CB ARG A 19 -4.544 0.107 11.823 1.00 0.00 C ATOM 262 CG ARG A 19 -5.287 -1.129 12.335 1.00 0.00 C ATOM 263 CD ARG A 19 -6.767 -1.078 11.950 1.00 0.00 C ATOM 264 NE ARG A 19 -6.908 -1.132 10.478 1.00 0.00 N ATOM 265 CZ ARG A 19 -7.978 -0.682 9.808 1.00 0.00 C ATOM 266 NH1 ARG A 19 -9.007 -0.142 10.476 1.00 0.00 N ATOM 267 NH2 ARG A 19 -8.020 -0.773 8.472 1.00 0.00 N ATOM 0 H ARG A 19 -3.194 2.372 12.164 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.282 -0.245 13.523 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.180 0.986 11.926 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.328 -0.008 10.761 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.831 -2.029 11.922 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.192 -1.192 13.419 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.299 -1.913 12.406 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.220 -0.164 12.334 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.143 -1.537 9.939 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.975 -0.074 11.493 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.822 0.201 9.967 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.237 -1.185 7.964 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.835 -0.430 7.963 1.00 0.00 H new ATOM 278 N GLY A 20 -1.681 0.664 10.786 1.00 0.00 N ATOM 279 CA GLY A 20 -0.580 0.329 9.901 1.00 0.00 C ATOM 280 C GLY A 20 0.703 0.073 10.694 1.00 0.00 C ATOM 281 O GLY A 20 1.202 -1.052 10.729 1.00 0.00 O ATOM 0 H GLY A 20 -2.112 1.571 10.606 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.834 -0.556 9.318 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.418 1.142 9.193 1.00 0.00 H new ATOM 285 N GLU A 21 1.201 1.133 11.313 1.00 0.00 N ATOM 286 CA GLU A 21 2.415 1.037 12.104 1.00 0.00 C ATOM 287 C GLU A 21 2.320 -0.135 13.084 1.00 0.00 C ATOM 288 O GLU A 21 3.321 -0.784 13.380 1.00 0.00 O ATOM 289 CB GLU A 21 2.695 2.348 12.842 1.00 0.00 C ATOM 290 CG GLU A 21 1.661 2.588 13.944 1.00 0.00 C ATOM 291 CD GLU A 21 2.094 1.927 15.255 1.00 0.00 C ATOM 292 OE1 GLU A 21 3.291 1.911 15.575 1.00 0.00 O ATOM 293 OE2 GLU A 21 1.134 1.420 15.952 1.00 0.00 O ATOM 0 H GLU A 21 0.785 2.064 11.282 1.00 0.00 H new ATOM 0 HA GLU A 21 3.251 0.853 11.429 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.694 2.319 13.276 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.678 3.178 12.136 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.530 3.659 14.098 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.695 2.191 13.634 1.00 0.00 H new ATOM 299 N ALA A 22 1.106 -0.367 13.560 1.00 0.00 N ATOM 300 CA ALA A 22 0.866 -1.449 14.501 1.00 0.00 C ATOM 301 C ALA A 22 1.216 -2.782 13.838 1.00 0.00 C ATOM 302 O ALA A 22 1.973 -3.576 14.395 1.00 0.00 O ATOM 303 CB ALA A 22 -0.588 -1.398 14.977 1.00 0.00 C ATOM 0 H ALA A 22 0.278 0.175 13.312 1.00 0.00 H new ATOM 0 HA ALA A 22 1.501 -1.342 15.380 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.769 -2.209 15.683 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.777 -0.443 15.466 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.255 -1.506 14.122 1.00 0.00 H new ATOM 309 N THR A 23 0.649 -2.988 12.658 1.00 0.00 N ATOM 310 CA THR A 23 0.892 -4.211 11.914 1.00 0.00 C ATOM 311 C THR A 23 2.307 -4.209 11.332 1.00 0.00 C ATOM 312 O THR A 23 2.971 -5.244 11.301 1.00 0.00 O ATOM 313 CB THR A 23 -0.202 -4.343 10.853 1.00 0.00 C ATOM 314 OG1 THR A 23 0.163 -5.512 10.122 1.00 0.00 O ATOM 315 CG2 THR A 23 -0.147 -3.222 9.813 1.00 0.00 C ATOM 0 H THR A 23 0.022 -2.327 12.199 1.00 0.00 H new ATOM 0 HA THR A 23 0.843 -5.086 12.563 1.00 0.00 H new ATOM 0 HB THR A 23 -1.179 -4.342 11.337 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.495 -5.673 9.413 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.945 -3.363 9.083 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.274 -2.259 10.308 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.817 -3.244 9.305 1.00 0.00 H new ATOM 323 N GLN A 24 2.727 -3.035 10.885 1.00 0.00 N ATOM 324 CA GLN A 24 4.051 -2.885 10.306 1.00 0.00 C ATOM 325 C GLN A 24 5.109 -3.477 11.239 1.00 0.00 C ATOM 326 O GLN A 24 5.786 -4.441 10.885 1.00 0.00 O ATOM 327 CB GLN A 24 4.351 -1.417 9.998 1.00 0.00 C ATOM 328 CG GLN A 24 3.454 -0.898 8.874 1.00 0.00 C ATOM 329 CD GLN A 24 4.266 -0.116 7.840 1.00 0.00 C ATOM 330 OE1 GLN A 24 5.323 0.424 8.121 1.00 0.00 O ATOM 331 NE2 GLN A 24 3.714 -0.084 6.630 1.00 0.00 N ATOM 0 H GLN A 24 2.174 -2.179 10.912 1.00 0.00 H new ATOM 0 HA GLN A 24 4.079 -3.433 9.364 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.201 -0.816 10.895 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.397 -1.308 9.713 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.952 -1.735 8.389 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.677 -0.258 9.291 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.826 -0.557 6.462 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.178 0.414 5.871 1.00 0.00 H new ATOM 338 N SER A 25 5.219 -2.875 12.414 1.00 0.00 N ATOM 339 CA SER A 25 6.183 -3.331 13.402 1.00 0.00 C ATOM 340 C SER A 25 5.754 -2.880 14.799 1.00 0.00 C ATOM 341 O SER A 25 5.175 -1.807 14.959 1.00 0.00 O ATOM 342 CB SER A 25 7.586 -2.809 13.083 1.00 0.00 C ATOM 343 OG SER A 25 8.549 -3.858 13.045 1.00 0.00 O ATOM 0 H SER A 25 4.657 -2.075 12.705 1.00 0.00 H new ATOM 0 HA SER A 25 6.214 -4.420 13.373 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.572 -2.295 12.122 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.879 -2.075 13.833 1.00 0.00 H new ATOM 0 HG SER A 25 9.431 -3.485 12.837 1.00 0.00 H new ATOM 348 N ILE A 26 6.055 -3.723 15.776 1.00 0.00 N ATOM 349 CA ILE A 26 5.708 -3.424 17.155 1.00 0.00 C ATOM 350 C ILE A 26 6.506 -2.207 17.625 1.00 0.00 C ATOM 351 O ILE A 26 5.997 -1.380 18.381 1.00 0.00 O ATOM 352 CB ILE A 26 5.897 -4.661 18.035 1.00 0.00 C ATOM 353 CG1 ILE A 26 7.250 -5.323 17.766 1.00 0.00 C ATOM 354 CG2 ILE A 26 4.735 -5.641 17.862 1.00 0.00 C ATOM 355 CD1 ILE A 26 8.024 -5.538 19.069 1.00 0.00 C ATOM 0 H ILE A 26 6.535 -4.613 15.640 1.00 0.00 H new ATOM 0 HA ILE A 26 4.653 -3.163 17.234 1.00 0.00 H new ATOM 0 HB ILE A 26 5.896 -4.342 19.077 1.00 0.00 H new ATOM 0 HG12 ILE A 26 7.098 -6.280 17.267 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.835 -4.700 17.090 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.895 -6.511 18.499 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.802 -5.152 18.143 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.679 -5.959 16.821 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.982 -6.010 18.850 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.196 -4.577 19.553 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.447 -6.181 19.733 1.00 0.00 H new ATOM 366 N ILE A 27 7.744 -2.134 17.160 1.00 0.00 N ATOM 367 CA ILE A 27 8.618 -1.032 17.523 1.00 0.00 C ATOM 368 C ILE A 27 8.071 0.265 16.924 1.00 0.00 C ATOM 369 O ILE A 27 8.178 1.329 17.534 1.00 0.00 O ATOM 370 CB ILE A 27 10.062 -1.336 17.118 1.00 0.00 C ATOM 371 CG1 ILE A 27 11.048 -0.804 18.159 1.00 0.00 C ATOM 372 CG2 ILE A 27 10.361 -0.799 15.717 1.00 0.00 C ATOM 373 CD1 ILE A 27 12.217 -1.771 18.352 1.00 0.00 C ATOM 0 H ILE A 27 8.163 -2.821 16.534 1.00 0.00 H new ATOM 0 HA ILE A 27 8.637 -0.901 18.605 1.00 0.00 H new ATOM 0 HB ILE A 27 10.187 -2.418 17.082 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.425 0.169 17.844 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.534 -0.655 19.109 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.393 -1.028 15.452 1.00 0.00 H new ATOM 0 HG22 ILE A 27 9.690 -1.267 14.997 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.213 0.281 15.702 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.903 -1.368 19.097 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.839 -2.736 18.690 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.743 -1.899 17.406 1.00 0.00 H new ATOM 384 N GLY A 28 7.496 0.135 15.738 1.00 0.00 N ATOM 385 CA GLY A 28 6.933 1.284 15.050 1.00 0.00 C ATOM 386 C GLY A 28 7.932 1.872 14.052 1.00 0.00 C ATOM 387 O GLY A 28 8.945 2.445 14.448 1.00 0.00 O ATOM 0 H GLY A 28 7.408 -0.748 15.236 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.023 0.989 14.527 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.650 2.045 15.778 1.00 0.00 H new ATOM 391 N GLY A 29 7.613 1.707 12.777 1.00 0.00 N ATOM 392 CA GLY A 29 8.471 2.214 11.719 1.00 0.00 C ATOM 393 C GLY A 29 8.364 3.736 11.608 1.00 0.00 C ATOM 394 O GLY A 29 9.376 4.428 11.508 1.00 0.00 O ATOM 0 H GLY A 29 6.772 1.229 12.452 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.505 1.932 11.918 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.193 1.756 10.770 1.00 0.00 H new ATOM 398 N MET A 30 7.128 4.214 11.631 1.00 0.00 N ATOM 399 CA MET A 30 6.876 5.641 11.534 1.00 0.00 C ATOM 400 C MET A 30 7.514 6.392 12.705 1.00 0.00 C ATOM 401 O MET A 30 8.250 7.356 12.501 1.00 0.00 O ATOM 402 CB MET A 30 5.367 5.894 11.526 1.00 0.00 C ATOM 403 CG MET A 30 4.808 5.831 10.104 1.00 0.00 C ATOM 404 SD MET A 30 5.200 7.334 9.225 1.00 0.00 S ATOM 405 CE MET A 30 5.384 6.687 7.572 1.00 0.00 C ATOM 0 H MET A 30 6.291 3.638 11.715 1.00 0.00 H new ATOM 0 HA MET A 30 7.319 6.007 10.608 1.00 0.00 H new ATOM 0 HB2 MET A 30 4.867 5.153 12.150 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.156 6.871 11.960 1.00 0.00 H new ATOM 0 HG2 MET A 30 5.226 4.973 9.578 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.728 5.690 10.135 1.00 0.00 H new ATOM 0 HE1 MET A 30 5.632 7.499 6.889 1.00 0.00 H new ATOM 0 HE2 MET A 30 6.182 5.945 7.558 1.00 0.00 H new ATOM 0 HE3 MET A 30 4.450 6.221 7.258 1.00 0.00 H new ATOM 413 N ILE A 31 7.209 5.920 13.904 1.00 0.00 N ATOM 414 CA ILE A 31 7.743 6.535 15.108 1.00 0.00 C ATOM 415 C ILE A 31 9.269 6.588 15.013 1.00 0.00 C ATOM 416 O ILE A 31 9.866 7.653 15.156 1.00 0.00 O ATOM 417 CB ILE A 31 7.228 5.810 16.353 1.00 0.00 C ATOM 418 CG1 ILE A 31 7.763 6.464 17.628 1.00 0.00 C ATOM 419 CG2 ILE A 31 7.557 4.317 16.294 1.00 0.00 C ATOM 420 CD1 ILE A 31 7.292 5.708 18.873 1.00 0.00 C ATOM 0 H ILE A 31 6.599 5.119 14.068 1.00 0.00 H new ATOM 0 HA ILE A 31 7.393 7.563 15.199 1.00 0.00 H new ATOM 0 HB ILE A 31 6.142 5.900 16.376 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.852 6.484 17.601 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.427 7.500 17.678 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.180 3.826 17.191 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.089 3.876 15.414 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.637 4.185 16.235 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.687 6.194 19.765 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.203 5.711 18.910 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.651 4.680 18.832 1.00 0.00 H new ATOM 431 N SER A 32 9.856 5.424 14.775 1.00 0.00 N ATOM 432 CA SER A 32 11.301 5.325 14.660 1.00 0.00 C ATOM 433 C SER A 32 11.842 6.495 13.837 1.00 0.00 C ATOM 434 O SER A 32 12.930 7.001 14.110 1.00 0.00 O ATOM 435 CB SER A 32 11.713 3.995 14.027 1.00 0.00 C ATOM 436 OG SER A 32 12.565 3.237 14.882 1.00 0.00 O ATOM 0 H SER A 32 9.357 4.542 14.659 1.00 0.00 H new ATOM 0 HA SER A 32 11.727 5.367 15.662 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.821 3.413 13.795 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.224 4.186 13.083 1.00 0.00 H new ATOM 0 HG SER A 32 12.804 2.395 14.442 1.00 0.00 H new ATOM 441 N GLY A 33 11.059 6.892 12.844 1.00 0.00 N ATOM 442 CA GLY A 33 11.446 7.993 11.979 1.00 0.00 C ATOM 443 C GLY A 33 11.268 9.336 12.689 1.00 0.00 C ATOM 444 O GLY A 33 12.104 10.229 12.555 1.00 0.00 O ATOM 0 H GLY A 33 10.158 6.470 12.620 1.00 0.00 H new ATOM 0 HA2 GLY A 33 12.486 7.873 11.675 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.844 7.975 11.070 1.00 0.00 H new ATOM 448 N TRP A 34 10.173 9.438 13.428 1.00 0.00 N ATOM 449 CA TRP A 34 9.875 10.658 14.159 1.00 0.00 C ATOM 450 C TRP A 34 11.008 10.900 15.159 1.00 0.00 C ATOM 451 O TRP A 34 11.645 11.951 15.139 1.00 0.00 O ATOM 452 CB TRP A 34 8.499 10.577 14.824 1.00 0.00 C ATOM 453 CG TRP A 34 7.957 11.926 15.300 1.00 0.00 C ATOM 454 CD1 TRP A 34 7.890 13.076 14.616 1.00 0.00 C ATOM 455 CD2 TRP A 34 7.407 12.221 16.601 1.00 0.00 C ATOM 456 NE1 TRP A 34 7.339 14.086 15.377 1.00 0.00 N ATOM 457 CE2 TRP A 34 7.035 13.549 16.623 1.00 0.00 C ATOM 458 CE3 TRP A 34 7.229 11.392 17.722 1.00 0.00 C ATOM 459 CZ2 TRP A 34 6.462 14.166 17.740 1.00 0.00 C ATOM 460 CZ3 TRP A 34 6.654 12.023 18.832 1.00 0.00 C ATOM 461 CH2 TRP A 34 6.274 13.359 18.870 1.00 0.00 C ATOM 0 H TRP A 34 9.482 8.696 13.536 1.00 0.00 H new ATOM 0 HA TRP A 34 9.821 11.510 13.481 1.00 0.00 H new ATOM 0 HB2 TRP A 34 7.791 10.141 14.119 1.00 0.00 H new ATOM 0 HB3 TRP A 34 8.558 9.900 15.676 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.225 13.197 13.597 1.00 0.00 H new ATOM 0 HE1 TRP A 34 7.183 15.049 15.080 1.00 0.00 H new ATOM 0 HE3 TRP A 34 7.513 10.350 17.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 6.180 15.208 17.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 6.495 11.430 19.720 1.00 0.00 H new ATOM 0 HH2 TRP A 34 5.836 13.773 19.766 1.00 0.00 H new ATOM 471 N ALA A 35 11.225 9.907 16.010 1.00 0.00 N ATOM 472 CA ALA A 35 12.270 9.998 17.015 1.00 0.00 C ATOM 473 C ALA A 35 13.622 10.184 16.324 1.00 0.00 C ATOM 474 O ALA A 35 14.463 10.950 16.791 1.00 0.00 O ATOM 475 CB ALA A 35 12.234 8.753 17.903 1.00 0.00 C ATOM 0 H ALA A 35 10.695 9.036 16.024 1.00 0.00 H new ATOM 0 HA ALA A 35 12.109 10.862 17.659 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.018 8.821 18.657 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.263 8.684 18.394 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.395 7.865 17.292 1.00 0.00 H new ATOM 481 N SER A 36 13.790 9.467 15.221 1.00 0.00 N ATOM 482 CA SER A 36 15.026 9.542 14.461 1.00 0.00 C ATOM 483 C SER A 36 15.285 10.987 14.026 1.00 0.00 C ATOM 484 O SER A 36 16.430 11.437 14.007 1.00 0.00 O ATOM 485 CB SER A 36 14.979 8.621 13.241 1.00 0.00 C ATOM 486 OG SER A 36 15.497 7.325 13.530 1.00 0.00 O ATOM 0 H SER A 36 13.091 8.832 14.836 1.00 0.00 H new ATOM 0 HA SER A 36 15.843 9.210 15.102 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.950 8.531 12.894 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.551 9.067 12.428 1.00 0.00 H new ATOM 0 HG SER A 36 14.771 6.745 13.842 1.00 0.00 H new ATOM 491 N GLY A 37 14.204 11.671 13.686 1.00 0.00 N ATOM 492 CA GLY A 37 14.300 13.055 13.252 1.00 0.00 C ATOM 493 C GLY A 37 14.661 13.972 14.422 1.00 0.00 C ATOM 494 O GLY A 37 15.601 14.761 14.329 1.00 0.00 O ATOM 0 H GLY A 37 13.257 11.294 13.702 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.054 13.143 12.470 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.351 13.370 12.817 1.00 0.00 H new ATOM 498 N LEU A 38 13.898 13.838 15.496 1.00 0.00 N ATOM 499 CA LEU A 38 14.126 14.645 16.683 1.00 0.00 C ATOM 500 C LEU A 38 15.552 14.414 17.184 1.00 0.00 C ATOM 501 O LEU A 38 16.293 15.367 17.425 1.00 0.00 O ATOM 502 CB LEU A 38 13.052 14.367 17.735 1.00 0.00 C ATOM 503 CG LEU A 38 11.602 14.452 17.252 1.00 0.00 C ATOM 504 CD1 LEU A 38 10.714 13.458 18.003 1.00 0.00 C ATOM 505 CD2 LEU A 38 11.073 15.885 17.356 1.00 0.00 C ATOM 0 H LEU A 38 13.120 13.182 15.570 1.00 0.00 H new ATOM 0 HA LEU A 38 14.039 15.705 16.445 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.220 13.370 18.143 1.00 0.00 H new ATOM 0 HB3 LEU A 38 13.183 15.073 18.555 1.00 0.00 H new ATOM 0 HG LEU A 38 11.576 14.174 16.198 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.689 13.539 17.640 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.079 12.445 17.835 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.740 13.681 19.070 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.041 15.918 17.007 1.00 0.00 H new ATOM 0 HD22 LEU A 38 11.115 16.214 18.394 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.685 16.544 16.741 1.00 0.00 H new ATOM 516 N ALA A 39 15.897 13.142 17.327 1.00 0.00 N ATOM 517 CA ALA A 39 17.222 12.773 17.796 1.00 0.00 C ATOM 518 C ALA A 39 18.261 13.186 16.752 1.00 0.00 C ATOM 519 O ALA A 39 19.418 13.440 17.088 1.00 0.00 O ATOM 520 CB ALA A 39 17.260 11.273 18.095 1.00 0.00 C ATOM 0 H ALA A 39 15.281 12.354 17.126 1.00 0.00 H new ATOM 0 HA ALA A 39 17.460 13.295 18.723 1.00 0.00 H new ATOM 0 HB1 ALA A 39 18.254 10.997 18.447 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.525 11.037 18.864 1.00 0.00 H new ATOM 0 HB3 ALA A 39 17.028 10.715 17.188 1.00 0.00 H new ATOM 526 N GLY A 40 17.813 13.242 15.507 1.00 0.00 N ATOM 527 CA GLY A 40 18.689 13.620 14.412 1.00 0.00 C ATOM 528 C GLY A 40 18.894 15.135 14.371 1.00 0.00 C ATOM 529 O GLY A 40 18.564 15.785 13.381 1.00 0.00 O ATOM 0 H GLY A 40 16.854 13.032 15.232 1.00 0.00 H new ATOM 0 HA2 GLY A 40 19.652 13.122 14.524 1.00 0.00 H new ATOM 0 HA3 GLY A 40 18.263 13.282 13.468 1.00 0.00 H new ATOM 533 N MET A 41 19.439 15.655 15.462 1.00 0.00 N ATOM 534 CA MET A 41 19.694 17.082 15.564 1.00 0.00 C ATOM 535 C MET A 41 18.389 17.878 15.485 1.00 0.00 C ATOM 536 O MET A 41 18.021 18.571 16.432 1.00 0.00 O ATOM 537 CB MET A 41 20.628 17.517 14.434 1.00 0.00 C ATOM 538 CG MET A 41 22.026 17.830 14.968 1.00 0.00 C ATOM 539 SD MET A 41 23.048 18.485 13.659 1.00 0.00 S ATOM 540 CE MET A 41 24.547 17.559 13.943 1.00 0.00 C ATOM 0 H MET A 41 19.711 15.113 16.283 1.00 0.00 H new ATOM 0 HA MET A 41 20.162 17.281 16.528 1.00 0.00 H new ATOM 0 HB2 MET A 41 20.689 16.728 13.684 1.00 0.00 H new ATOM 0 HB3 MET A 41 20.219 18.397 13.938 1.00 0.00 H new ATOM 0 HG2 MET A 41 21.960 18.550 15.784 1.00 0.00 H new ATOM 0 HG3 MET A 41 22.479 16.927 15.376 1.00 0.00 H new ATOM 0 HE1 MET A 41 25.298 17.847 13.207 1.00 0.00 H new ATOM 0 HE2 MET A 41 24.921 17.771 14.945 1.00 0.00 H new ATOM 0 HE3 MET A 41 24.339 16.493 13.851 1.00 0.00 H new TER 548 MET A 41