USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 253 hydrogens (4 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 24 CYS SG : rot -36:sc= -22.7! USER MOD Set 1.2: A 36 CYS SG : rot -71:sc= -18.4! USER MOD Single : A 6 ASN : amide:sc= -0.128 K(o=-0.13,f=-2.1!) USER MOD Single : A 9 THR OG1 : rot 47:sc= 0.201 USER MOD Single : A 13 THR OG1 : rot -130:sc= 0.782 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -5.51 K(o=-5.5,f=-11!) USER MOD Single : A 35 TYR OH : rot 180:sc= -0.818 USER MOD ----------------------------------------------------------------- HETATM 1 C 4LT A 1 3.291 1.276 -5.902 1.00 63.51 C HETATM 2 O 4LT A 1 4.068 0.985 -6.811 1.00 3.23 O HETATM 3 CA 4LT A 1 3.728 2.356 -4.944 1.00 2.22 C HETATM 4 CB 4LT A 1 4.168 1.724 -3.630 1.00 22.01 C HETATM 5 F 4LT A 1 4.792 3.064 -5.497 1.00 1.14 F ATOM 10 N GLY A 2 2.112 0.683 -5.742 1.00 55.45 N ATOM 11 CA GLY A 2 1.675 -0.358 -6.654 1.00 53.21 C ATOM 12 C GLY A 2 0.173 -0.356 -6.860 1.00 11.23 C ATOM 13 O GLY A 2 -0.423 0.688 -7.128 1.00 72.43 O ATOM 0 H GLY A 2 1.452 0.905 -4.997 1.00 55.45 H new ATOM 0 HA2 GLY A 2 2.171 -0.226 -7.616 1.00 53.21 H new ATOM 0 HA3 GLY A 2 1.984 -1.329 -6.267 1.00 53.21 H new ATOM 17 N CYS A 3 -0.441 -1.528 -6.735 1.00 53.41 N ATOM 18 CA CYS A 3 -1.883 -1.659 -6.911 1.00 4.40 C ATOM 19 C CYS A 3 -2.577 -1.874 -5.569 1.00 61.33 C ATOM 20 O CYS A 3 -1.944 -2.260 -4.586 1.00 63.33 O ATOM 21 CB CYS A 3 -2.199 -2.821 -7.854 1.00 63.10 C ATOM 22 SG CYS A 3 -2.060 -4.465 -7.081 1.00 12.33 S ATOM 0 H CYS A 3 0.038 -2.401 -6.512 1.00 53.41 H new ATOM 0 HA CYS A 3 -2.257 -0.733 -7.349 1.00 4.40 H new ATOM 0 HB2 CYS A 3 -3.211 -2.697 -8.240 1.00 63.10 H new ATOM 0 HB3 CYS A 3 -1.524 -2.775 -8.709 1.00 63.10 H new ATOM 27 N ILE A 4 -3.881 -1.623 -5.537 1.00 52.44 N ATOM 28 CA ILE A 4 -4.661 -1.791 -4.318 1.00 14.54 C ATOM 29 C ILE A 4 -6.095 -1.309 -4.512 1.00 12.04 C ATOM 30 O ILE A 4 -6.331 -0.223 -5.044 1.00 24.34 O ATOM 31 CB ILE A 4 -4.031 -1.029 -3.137 1.00 11.42 C ATOM 32 CG1 ILE A 4 -4.985 -1.018 -1.941 1.00 34.01 C ATOM 33 CG2 ILE A 4 -3.677 0.392 -3.551 1.00 70.45 C ATOM 34 CD1 ILE A 4 -4.279 -1.062 -0.604 1.00 31.21 C ATOM 0 H ILE A 4 -4.420 -1.302 -6.342 1.00 52.44 H new ATOM 0 HA ILE A 4 -4.666 -2.857 -4.091 1.00 14.54 H new ATOM 0 HB ILE A 4 -3.114 -1.540 -2.842 1.00 11.42 H new ATOM 0 HG12 ILE A 4 -5.602 -0.121 -1.987 1.00 34.01 H new ATOM 0 HG13 ILE A 4 -5.658 -1.872 -2.016 1.00 34.01 H new ATOM 0 HG21 ILE A 4 -3.233 0.917 -2.706 1.00 70.45 H new ATOM 0 HG22 ILE A 4 -2.965 0.364 -4.376 1.00 70.45 H new ATOM 0 HG23 ILE A 4 -4.580 0.914 -3.869 1.00 70.45 H new ATOM 0 HD11 ILE A 4 -5.017 -1.051 0.198 1.00 31.21 H new ATOM 0 HD12 ILE A 4 -3.683 -1.972 -0.537 1.00 31.21 H new ATOM 0 HD13 ILE A 4 -3.627 -0.194 -0.508 1.00 31.21 H new ATOM 46 N LEU A 5 -7.051 -2.122 -4.075 1.00 64.43 N ATOM 47 CA LEU A 5 -8.463 -1.779 -4.199 1.00 31.13 C ATOM 48 C LEU A 5 -9.341 -2.844 -3.550 1.00 71.41 C ATOM 49 O LEU A 5 -10.309 -3.313 -4.147 1.00 51.24 O ATOM 50 CB LEU A 5 -8.842 -1.617 -5.672 1.00 20.22 C ATOM 51 CG LEU A 5 -9.903 -0.560 -5.980 1.00 4.42 C ATOM 52 CD1 LEU A 5 -9.247 0.750 -6.390 1.00 32.01 C ATOM 53 CD2 LEU A 5 -10.845 -1.051 -7.069 1.00 41.31 C ATOM 0 H LEU A 5 -6.874 -3.023 -3.632 1.00 64.43 H new ATOM 0 HA LEU A 5 -8.628 -0.834 -3.682 1.00 31.13 H new ATOM 0 HB2 LEU A 5 -7.940 -1.372 -6.234 1.00 20.22 H new ATOM 0 HB3 LEU A 5 -9.197 -2.578 -6.043 1.00 20.22 H new ATOM 0 HG LEU A 5 -10.486 -0.384 -5.076 1.00 4.42 H new ATOM 0 HD11 LEU A 5 -10.017 1.491 -6.605 1.00 32.01 H new ATOM 0 HD12 LEU A 5 -8.614 1.110 -5.579 1.00 32.01 H new ATOM 0 HD13 LEU A 5 -8.639 0.589 -7.280 1.00 32.01 H new ATOM 0 HD21 LEU A 5 -11.593 -0.286 -7.275 1.00 41.31 H new ATOM 0 HD22 LEU A 5 -10.277 -1.256 -7.976 1.00 41.31 H new ATOM 0 HD23 LEU A 5 -11.341 -1.963 -6.737 1.00 41.31 H new ATOM 65 N ASN A 6 -8.997 -3.221 -2.323 1.00 2.22 N ATOM 66 CA ASN A 6 -9.755 -4.230 -1.592 1.00 2.21 C ATOM 67 C ASN A 6 -9.583 -5.606 -2.228 1.00 4.04 C ATOM 68 O ASN A 6 -10.412 -6.041 -3.025 1.00 35.54 O ATOM 69 CB ASN A 6 -11.238 -3.855 -1.554 1.00 22.22 C ATOM 70 CG ASN A 6 -11.944 -4.412 -0.333 1.00 23.34 C ATOM 71 OD1 ASN A 6 -11.303 -4.847 0.624 1.00 4.45 O ATOM 72 ND2 ASN A 6 -13.271 -4.402 -0.361 1.00 33.40 N ATOM 0 H ASN A 6 -8.198 -2.843 -1.814 1.00 2.22 H new ATOM 0 HA ASN A 6 -9.371 -4.270 -0.573 1.00 2.21 H new ATOM 0 HB2 ASN A 6 -11.336 -2.769 -1.563 1.00 22.22 H new ATOM 0 HB3 ASN A 6 -11.727 -4.227 -2.454 1.00 22.22 H new ATOM 0 HD21 ASN A 6 -13.801 -4.765 0.432 1.00 33.40 H new ATOM 0 HD22 ASN A 6 -13.761 -4.032 -1.175 1.00 33.40 H new ATOM 79 N GLY A 7 -8.498 -6.287 -1.868 1.00 54.32 N ATOM 80 CA GLY A 7 -8.237 -7.606 -2.412 1.00 62.42 C ATOM 81 C GLY A 7 -7.090 -8.306 -1.711 1.00 4.25 C ATOM 82 O GLY A 7 -7.011 -8.304 -0.482 1.00 1.31 O ATOM 0 H GLY A 7 -7.796 -5.948 -1.210 1.00 54.32 H new ATOM 0 HA2 GLY A 7 -9.137 -8.215 -2.327 1.00 62.42 H new ATOM 0 HA3 GLY A 7 -8.010 -7.519 -3.475 1.00 62.42 H new ATOM 86 N ARG A 8 -6.199 -8.907 -2.492 1.00 25.21 N ATOM 87 CA ARG A 8 -5.052 -9.616 -1.938 1.00 24.44 C ATOM 88 C ARG A 8 -3.791 -8.760 -2.020 1.00 72.32 C ATOM 89 O ARG A 8 -3.152 -8.476 -1.006 1.00 72.54 O ATOM 90 CB ARG A 8 -4.834 -10.936 -2.680 1.00 20.44 C ATOM 91 CG ARG A 8 -6.112 -11.729 -2.900 1.00 21.34 C ATOM 92 CD ARG A 8 -6.710 -12.199 -1.583 1.00 2.14 C ATOM 93 NE ARG A 8 -7.983 -11.543 -1.295 1.00 24.14 N ATOM 94 CZ ARG A 8 -8.527 -11.494 -0.084 1.00 23.22 C ATOM 95 NH1 ARG A 8 -7.912 -12.059 0.946 1.00 30.21 N ATOM 96 NH2 ARG A 8 -9.688 -10.879 0.099 1.00 40.34 N ATOM 0 H ARG A 8 -6.249 -8.917 -3.511 1.00 25.21 H new ATOM 0 HA ARG A 8 -5.260 -9.827 -0.889 1.00 24.44 H new ATOM 0 HB2 ARG A 8 -4.374 -10.728 -3.646 1.00 20.44 H new ATOM 0 HB3 ARG A 8 -4.129 -11.548 -2.117 1.00 20.44 H new ATOM 0 HG2 ARG A 8 -6.837 -11.112 -3.431 1.00 21.34 H new ATOM 0 HG3 ARG A 8 -5.902 -12.591 -3.534 1.00 21.34 H new ATOM 0 HD2 ARG A 8 -6.858 -13.278 -1.617 1.00 2.14 H new ATOM 0 HD3 ARG A 8 -6.008 -11.999 -0.774 1.00 2.14 H new ATOM 0 HE ARG A 8 -8.481 -11.098 -2.066 1.00 24.14 H new ATOM 0 HH11 ARG A 8 -7.019 -12.533 0.810 1.00 30.21 H new ATOM 0 HH12 ARG A 8 -8.332 -12.020 1.875 1.00 30.21 H new ATOM 0 HH21 ARG A 8 -10.164 -10.443 -0.691 1.00 40.34 H new ATOM 0 HH22 ARG A 8 -10.105 -10.842 1.029 1.00 40.34 H new ATOM 110 N THR A 9 -3.438 -8.352 -3.235 1.00 11.50 N ATOM 111 CA THR A 9 -2.254 -7.530 -3.451 1.00 1.23 C ATOM 112 C THR A 9 -1.057 -8.079 -2.683 1.00 44.44 C ATOM 113 O THR A 9 -0.677 -7.544 -1.641 1.00 72.41 O ATOM 114 CB THR A 9 -2.498 -6.070 -3.024 1.00 23.05 C ATOM 115 OG1 THR A 9 -3.157 -6.035 -1.753 1.00 23.03 O ATOM 116 CG2 THR A 9 -3.339 -5.337 -4.057 1.00 73.02 C ATOM 0 H THR A 9 -3.955 -8.578 -4.085 1.00 11.50 H new ATOM 0 HA THR A 9 -2.041 -7.557 -4.520 1.00 1.23 H new ATOM 0 HB THR A 9 -1.532 -5.571 -2.946 1.00 23.05 H new ATOM 0 HG1 THR A 9 -2.709 -6.650 -1.135 1.00 23.03 H new ATOM 0 HG21 THR A 9 -3.498 -4.308 -3.733 1.00 73.02 H new ATOM 0 HG22 THR A 9 -2.821 -5.340 -5.016 1.00 73.02 H new ATOM 0 HG23 THR A 9 -4.302 -5.837 -4.163 1.00 73.02 H new ATOM 124 N ASP A 10 -0.465 -9.147 -3.205 1.00 62.33 N ATOM 125 CA ASP A 10 0.692 -9.768 -2.570 1.00 12.23 C ATOM 126 C ASP A 10 0.507 -9.839 -1.057 1.00 62.51 C ATOM 127 O ASP A 10 1.140 -9.094 -0.308 1.00 20.43 O ATOM 128 CB ASP A 10 1.964 -8.988 -2.904 1.00 40.43 C ATOM 129 CG ASP A 10 3.180 -9.522 -2.173 1.00 50.03 C ATOM 130 OD1 ASP A 10 3.235 -10.745 -1.928 1.00 31.41 O ATOM 131 OD2 ASP A 10 4.077 -8.717 -1.847 1.00 50.14 O ATOM 0 H ASP A 10 -0.767 -9.601 -4.067 1.00 62.33 H new ATOM 0 HA ASP A 10 0.786 -10.783 -2.956 1.00 12.23 H new ATOM 0 HB2 ASP A 10 2.142 -9.032 -3.979 1.00 40.43 H new ATOM 0 HB3 ASP A 10 1.821 -7.938 -2.647 1.00 40.43 H new ATOM 136 N LEU A 11 -0.364 -10.740 -0.615 1.00 1.53 N ATOM 137 CA LEU A 11 -0.633 -10.908 0.809 1.00 32.31 C ATOM 138 C LEU A 11 -0.661 -12.386 1.187 1.00 50.14 C ATOM 139 O LEU A 11 0.297 -12.911 1.752 1.00 2.21 O ATOM 140 CB LEU A 11 -1.964 -10.251 1.178 1.00 51.30 C ATOM 141 CG LEU A 11 -1.889 -8.794 1.636 1.00 42.33 C ATOM 142 CD1 LEU A 11 -3.283 -8.240 1.885 1.00 51.31 C ATOM 143 CD2 LEU A 11 -1.033 -8.672 2.888 1.00 43.52 C ATOM 0 H LEU A 11 -0.895 -11.365 -1.221 1.00 1.53 H new ATOM 0 HA LEU A 11 0.170 -10.424 1.365 1.00 32.31 H new ATOM 0 HB2 LEU A 11 -2.625 -10.306 0.313 1.00 51.30 H new ATOM 0 HB3 LEU A 11 -2.428 -10.837 1.971 1.00 51.30 H new ATOM 0 HG LEU A 11 -1.424 -8.208 0.844 1.00 42.33 H new ATOM 0 HD11 LEU A 11 -3.209 -7.202 2.210 1.00 51.31 H new ATOM 0 HD12 LEU A 11 -3.865 -8.291 0.965 1.00 51.31 H new ATOM 0 HD13 LEU A 11 -3.776 -8.829 2.659 1.00 51.31 H new ATOM 0 HD21 LEU A 11 -0.991 -7.628 3.200 1.00 43.52 H new ATOM 0 HD22 LEU A 11 -1.469 -9.272 3.687 1.00 43.52 H new ATOM 0 HD23 LEU A 11 -0.025 -9.028 2.676 1.00 43.52 H new ATOM 155 N GLY A 12 -1.767 -13.052 0.868 1.00 65.45 N ATOM 156 CA GLY A 12 -1.898 -14.464 1.179 1.00 43.31 C ATOM 157 C GLY A 12 -1.405 -15.354 0.055 1.00 10.41 C ATOM 158 O GLY A 12 -0.293 -15.179 -0.444 1.00 25.44 O ATOM 0 H GLY A 12 -2.574 -12.639 0.400 1.00 65.45 H new ATOM 0 HA2 GLY A 12 -1.337 -14.686 2.087 1.00 43.31 H new ATOM 0 HA3 GLY A 12 -2.944 -14.692 1.386 1.00 43.31 H new ATOM 162 N THR A 13 -2.234 -16.313 -0.345 1.00 51.22 N ATOM 163 CA THR A 13 -1.876 -17.235 -1.415 1.00 21.40 C ATOM 164 C THR A 13 -1.694 -16.500 -2.738 1.00 10.34 C ATOM 165 O THR A 13 -0.989 -16.971 -3.630 1.00 64.54 O ATOM 166 CB THR A 13 -2.944 -18.331 -1.593 1.00 24.32 C ATOM 167 OG1 THR A 13 -4.230 -17.828 -1.215 1.00 2.02 O ATOM 168 CG2 THR A 13 -2.607 -19.556 -0.756 1.00 23.03 C ATOM 0 H THR A 13 -3.158 -16.471 0.056 1.00 51.22 H new ATOM 0 HA THR A 13 -0.933 -17.700 -1.128 1.00 21.40 H new ATOM 0 HB THR A 13 -2.963 -18.622 -2.643 1.00 24.32 H new ATOM 0 HG1 THR A 13 -4.657 -18.455 -0.595 1.00 2.02 H new ATOM 0 HG21 THR A 13 -3.375 -20.316 -0.898 1.00 23.03 H new ATOM 0 HG22 THR A 13 -1.641 -19.954 -1.066 1.00 23.03 H new ATOM 0 HG23 THR A 13 -2.563 -19.277 0.297 1.00 23.03 H new ATOM 176 N LEU A 14 -2.333 -15.341 -2.858 1.00 34.54 N ATOM 177 CA LEU A 14 -2.241 -14.539 -4.072 1.00 74.05 C ATOM 178 C LEU A 14 -0.815 -14.047 -4.293 1.00 44.12 C ATOM 179 O LEU A 14 -0.465 -13.591 -5.383 1.00 14.32 O ATOM 180 CB LEU A 14 -3.198 -13.348 -3.994 1.00 4.31 C ATOM 181 CG LEU A 14 -3.192 -12.402 -5.195 1.00 43.14 C ATOM 182 CD1 LEU A 14 -2.097 -11.357 -5.047 1.00 1.11 C ATOM 183 CD2 LEU A 14 -3.013 -13.184 -6.489 1.00 13.23 C ATOM 0 H LEU A 14 -2.920 -14.936 -2.129 1.00 34.54 H new ATOM 0 HA LEU A 14 -2.523 -15.169 -4.916 1.00 74.05 H new ATOM 0 HB2 LEU A 14 -4.211 -13.729 -3.862 1.00 4.31 H new ATOM 0 HB3 LEU A 14 -2.956 -12.771 -3.101 1.00 4.31 H new ATOM 0 HG LEU A 14 -4.153 -11.889 -5.233 1.00 43.14 H new ATOM 0 HD11 LEU A 14 -2.109 -10.693 -5.911 1.00 1.11 H new ATOM 0 HD12 LEU A 14 -2.269 -10.776 -4.141 1.00 1.11 H new ATOM 0 HD13 LEU A 14 -1.128 -11.852 -4.983 1.00 1.11 H new ATOM 0 HD21 LEU A 14 -3.011 -12.495 -7.333 1.00 13.23 H new ATOM 0 HD22 LEU A 14 -2.067 -13.724 -6.460 1.00 13.23 H new ATOM 0 HD23 LEU A 14 -3.833 -13.894 -6.602 1.00 13.23 H new ATOM 195 N LEU A 15 0.007 -14.144 -3.254 1.00 34.14 N ATOM 196 CA LEU A 15 1.397 -13.711 -3.334 1.00 3.10 C ATOM 197 C LEU A 15 2.038 -14.175 -4.638 1.00 73.12 C ATOM 198 O LEU A 15 2.943 -13.526 -5.163 1.00 31.20 O ATOM 199 CB LEU A 15 2.190 -14.251 -2.143 1.00 21.34 C ATOM 200 CG LEU A 15 2.772 -15.656 -2.305 1.00 75.20 C ATOM 201 CD1 LEU A 15 3.675 -15.999 -1.131 1.00 2.12 C ATOM 202 CD2 LEU A 15 1.656 -16.683 -2.439 1.00 42.35 C ATOM 0 H LEU A 15 -0.266 -14.519 -2.346 1.00 34.14 H new ATOM 0 HA LEU A 15 1.414 -12.621 -3.310 1.00 3.10 H new ATOM 0 HB2 LEU A 15 3.009 -13.562 -1.935 1.00 21.34 H new ATOM 0 HB3 LEU A 15 1.540 -14.247 -1.268 1.00 21.34 H new ATOM 0 HG LEU A 15 3.371 -15.677 -3.216 1.00 75.20 H new ATOM 0 HD11 LEU A 15 4.080 -17.002 -1.264 1.00 2.12 H new ATOM 0 HD12 LEU A 15 4.494 -15.281 -1.080 1.00 2.12 H new ATOM 0 HD13 LEU A 15 3.100 -15.960 -0.206 1.00 2.12 H new ATOM 0 HD21 LEU A 15 2.088 -17.677 -2.553 1.00 42.35 H new ATOM 0 HD22 LEU A 15 1.031 -16.660 -1.546 1.00 42.35 H new ATOM 0 HD23 LEU A 15 1.049 -16.449 -3.313 1.00 42.35 H new ATOM 214 N PHE A 16 1.560 -15.301 -5.158 1.00 23.22 N ATOM 215 CA PHE A 16 2.085 -15.852 -6.402 1.00 3.12 C ATOM 216 C PHE A 16 1.100 -16.841 -7.017 1.00 72.03 C ATOM 217 O PHE A 16 0.034 -17.100 -6.459 1.00 32.53 O ATOM 218 CB PHE A 16 3.428 -16.541 -6.153 1.00 24.15 C ATOM 219 CG PHE A 16 4.573 -15.582 -5.990 1.00 61.42 C ATOM 220 CD1 PHE A 16 4.858 -14.650 -6.975 1.00 63.41 C ATOM 221 CD2 PHE A 16 5.364 -15.613 -4.853 1.00 14.32 C ATOM 222 CE1 PHE A 16 5.912 -13.768 -6.828 1.00 54.45 C ATOM 223 CE2 PHE A 16 6.418 -14.732 -4.700 1.00 61.14 C ATOM 224 CZ PHE A 16 6.692 -13.808 -5.689 1.00 54.33 C ATOM 0 H PHE A 16 0.810 -15.850 -4.737 1.00 23.22 H new ATOM 0 HA PHE A 16 2.231 -15.029 -7.101 1.00 3.12 H new ATOM 0 HB2 PHE A 16 3.350 -17.157 -5.257 1.00 24.15 H new ATOM 0 HB3 PHE A 16 3.642 -17.212 -6.984 1.00 24.15 H new ATOM 0 HD1 PHE A 16 4.250 -14.612 -7.867 1.00 63.41 H new ATOM 0 HD2 PHE A 16 5.155 -16.334 -4.077 1.00 14.32 H new ATOM 0 HE1 PHE A 16 6.126 -13.048 -7.604 1.00 54.45 H new ATOM 0 HE2 PHE A 16 7.026 -14.766 -3.808 1.00 61.14 H new ATOM 0 HZ PHE A 16 7.515 -13.118 -5.572 1.00 54.33 H new ATOM 234 N ARG A 17 1.464 -17.389 -8.172 1.00 22.43 N ATOM 235 CA ARG A 17 0.612 -18.348 -8.865 1.00 24.33 C ATOM 236 C ARG A 17 -0.832 -17.858 -8.911 1.00 61.32 C ATOM 237 O ARG A 17 -1.768 -18.656 -8.961 1.00 34.31 O ATOM 238 CB ARG A 17 0.677 -19.712 -8.175 1.00 24.21 C ATOM 239 CG ARG A 17 -0.032 -20.817 -8.941 1.00 51.30 C ATOM 240 CD ARG A 17 -1.064 -21.522 -8.074 1.00 41.45 C ATOM 241 NE ARG A 17 -1.977 -22.340 -8.867 1.00 60.53 N ATOM 242 CZ ARG A 17 -2.920 -23.111 -8.338 1.00 75.41 C ATOM 243 NH1 ARG A 17 -3.074 -23.168 -7.022 1.00 54.15 N ATOM 244 NH2 ARG A 17 -3.713 -23.827 -9.126 1.00 22.54 N ATOM 0 H ARG A 17 2.343 -17.185 -8.647 1.00 22.43 H new ATOM 0 HA ARG A 17 0.977 -18.448 -9.887 1.00 24.33 H new ATOM 0 HB2 ARG A 17 1.722 -19.990 -8.037 1.00 24.21 H new ATOM 0 HB3 ARG A 17 0.235 -19.629 -7.182 1.00 24.21 H new ATOM 0 HG2 ARG A 17 -0.520 -20.396 -9.820 1.00 51.30 H new ATOM 0 HG3 ARG A 17 0.700 -21.541 -9.299 1.00 51.30 H new ATOM 0 HD2 ARG A 17 -0.555 -22.151 -7.344 1.00 41.45 H new ATOM 0 HD3 ARG A 17 -1.634 -20.781 -7.514 1.00 41.45 H new ATOM 0 HE ARG A 17 -1.886 -22.318 -9.883 1.00 60.53 H new ATOM 0 HH11 ARG A 17 -2.467 -22.619 -6.413 1.00 54.15 H new ATOM 0 HH12 ARG A 17 -3.799 -23.761 -6.619 1.00 54.15 H new ATOM 0 HH21 ARG A 17 -3.598 -23.785 -10.139 1.00 22.54 H new ATOM 0 HH22 ARG A 17 -4.437 -24.419 -8.719 1.00 22.54 H new ATOM 258 N CYS A 18 -1.005 -16.541 -8.894 1.00 51.12 N ATOM 259 CA CYS A 18 -2.334 -15.943 -8.933 1.00 73.33 C ATOM 260 C CYS A 18 -3.381 -16.973 -9.348 1.00 55.35 C ATOM 261 O CYS A 18 -3.374 -17.460 -10.479 1.00 24.21 O ATOM 262 CB CYS A 18 -2.355 -14.759 -9.902 1.00 15.13 C ATOM 263 SG CYS A 18 -1.703 -15.142 -11.559 1.00 13.20 S ATOM 0 H CYS A 18 -0.241 -15.867 -8.853 1.00 51.12 H new ATOM 0 HA CYS A 18 -2.576 -15.588 -7.931 1.00 73.33 H new ATOM 0 HB2 CYS A 18 -3.380 -14.402 -10.000 1.00 15.13 H new ATOM 0 HB3 CYS A 18 -1.773 -13.943 -9.474 1.00 15.13 H new ATOM 268 N ARG A 19 -4.281 -17.298 -8.426 1.00 54.02 N ATOM 269 CA ARG A 19 -5.334 -18.270 -8.695 1.00 55.45 C ATOM 270 C ARG A 19 -6.341 -17.716 -9.700 1.00 11.02 C ATOM 271 O ARG A 19 -7.139 -18.461 -10.269 1.00 65.23 O ATOM 272 CB ARG A 19 -6.050 -18.651 -7.398 1.00 64.31 C ATOM 273 CG ARG A 19 -5.112 -18.827 -6.215 1.00 1.53 C ATOM 274 CD ARG A 19 -4.914 -17.520 -5.462 1.00 54.02 C ATOM 275 NE ARG A 19 -5.324 -17.626 -4.064 1.00 71.04 N ATOM 276 CZ ARG A 19 -6.577 -17.467 -3.652 1.00 5.54 C ATOM 277 NH1 ARG A 19 -7.537 -17.196 -4.525 1.00 4.40 N ATOM 278 NH2 ARG A 19 -6.871 -17.579 -2.363 1.00 2.54 N ATOM 0 H ARG A 19 -4.302 -16.902 -7.486 1.00 54.02 H new ATOM 0 HA ARG A 19 -4.872 -19.160 -9.122 1.00 55.45 H new ATOM 0 HB2 ARG A 19 -6.784 -17.881 -7.158 1.00 64.31 H new ATOM 0 HB3 ARG A 19 -6.601 -19.578 -7.556 1.00 64.31 H new ATOM 0 HG2 ARG A 19 -5.515 -19.581 -5.538 1.00 1.53 H new ATOM 0 HG3 ARG A 19 -4.148 -19.196 -6.565 1.00 1.53 H new ATOM 0 HD2 ARG A 19 -3.865 -17.229 -5.511 1.00 54.02 H new ATOM 0 HD3 ARG A 19 -5.487 -16.731 -5.949 1.00 54.02 H new ATOM 0 HE ARG A 19 -4.609 -17.833 -3.366 1.00 71.04 H new ATOM 0 HH11 ARG A 19 -7.315 -17.109 -5.517 1.00 4.40 H new ATOM 0 HH12 ARG A 19 -8.498 -17.075 -4.205 1.00 4.40 H new ATOM 0 HH21 ARG A 19 -6.135 -17.787 -1.688 1.00 2.54 H new ATOM 0 HH22 ARG A 19 -7.833 -17.457 -2.047 1.00 2.54 H new ATOM 292 N ARG A 20 -6.298 -16.405 -9.911 1.00 52.42 N ATOM 293 CA ARG A 20 -7.207 -15.751 -10.845 1.00 33.11 C ATOM 294 C ARG A 20 -7.152 -14.234 -10.687 1.00 24.55 C ATOM 295 O ARG A 20 -6.902 -13.723 -9.595 1.00 22.12 O ATOM 296 CB ARG A 20 -8.639 -16.245 -10.627 1.00 25.23 C ATOM 297 CG ARG A 20 -9.667 -15.533 -11.490 1.00 10.33 C ATOM 298 CD ARG A 20 -10.668 -16.510 -12.085 1.00 34.44 C ATOM 299 NE ARG A 20 -11.854 -16.658 -11.245 1.00 31.31 N ATOM 300 CZ ARG A 20 -12.752 -17.624 -11.405 1.00 53.31 C ATOM 301 NH1 ARG A 20 -12.600 -18.522 -12.368 1.00 72.12 N ATOM 302 NH2 ARG A 20 -13.805 -17.692 -10.601 1.00 33.14 N ATOM 0 H ARG A 20 -5.643 -15.774 -9.448 1.00 52.42 H new ATOM 0 HA ARG A 20 -6.892 -16.005 -11.857 1.00 33.11 H new ATOM 0 HB2 ARG A 20 -8.681 -17.314 -10.835 1.00 25.23 H new ATOM 0 HB3 ARG A 20 -8.904 -16.113 -9.578 1.00 25.23 H new ATOM 0 HG2 ARG A 20 -10.194 -14.790 -10.891 1.00 10.33 H new ATOM 0 HG3 ARG A 20 -9.161 -14.996 -12.292 1.00 10.33 H new ATOM 0 HD2 ARG A 20 -10.966 -16.166 -13.075 1.00 34.44 H new ATOM 0 HD3 ARG A 20 -10.192 -17.482 -12.215 1.00 34.44 H new ATOM 0 HE ARG A 20 -12.001 -15.983 -10.495 1.00 31.31 H new ATOM 0 HH11 ARG A 20 -11.792 -18.473 -12.989 1.00 72.12 H new ATOM 0 HH12 ARG A 20 -13.291 -19.263 -12.488 1.00 72.12 H new ATOM 0 HH21 ARG A 20 -13.926 -17.002 -9.859 1.00 33.14 H new ATOM 0 HH22 ARG A 20 -14.494 -18.434 -10.725 1.00 33.14 H new ATOM 316 N ASP A 21 -7.385 -13.521 -11.783 1.00 34.52 N ATOM 317 CA ASP A 21 -7.362 -12.063 -11.766 1.00 35.51 C ATOM 318 C ASP A 21 -8.202 -11.520 -10.614 1.00 75.13 C ATOM 319 O ASP A 21 -7.967 -10.413 -10.130 1.00 32.35 O ATOM 320 CB ASP A 21 -7.877 -11.509 -13.095 1.00 51.30 C ATOM 321 CG ASP A 21 -9.163 -12.175 -13.541 1.00 75.34 C ATOM 322 OD1 ASP A 21 -10.242 -11.759 -13.069 1.00 62.11 O ATOM 323 OD2 ASP A 21 -9.092 -13.114 -14.362 1.00 41.15 O ATOM 0 H ASP A 21 -7.592 -13.929 -12.695 1.00 34.52 H new ATOM 0 HA ASP A 21 -6.330 -11.741 -11.622 1.00 35.51 H new ATOM 0 HB2 ASP A 21 -8.042 -10.436 -12.998 1.00 51.30 H new ATOM 0 HB3 ASP A 21 -7.115 -11.647 -13.862 1.00 51.30 H new ATOM 328 N SER A 22 -9.183 -12.306 -10.182 1.00 15.12 N ATOM 329 CA SER A 22 -10.062 -11.902 -9.090 1.00 40.44 C ATOM 330 C SER A 22 -9.257 -11.586 -7.833 1.00 62.15 C ATOM 331 O SER A 22 -9.697 -10.819 -6.977 1.00 50.44 O ATOM 332 CB SER A 22 -11.082 -13.003 -8.794 1.00 4.24 C ATOM 333 OG SER A 22 -12.216 -12.480 -8.125 1.00 33.43 O ATOM 0 H SER A 22 -9.389 -13.226 -10.571 1.00 15.12 H new ATOM 0 HA SER A 22 -10.591 -11.000 -9.397 1.00 40.44 H new ATOM 0 HB2 SER A 22 -11.392 -13.476 -9.726 1.00 4.24 H new ATOM 0 HB3 SER A 22 -10.619 -13.777 -8.182 1.00 4.24 H new ATOM 0 HG SER A 22 -12.854 -13.203 -7.948 1.00 33.43 H new ATOM 339 N ASP A 23 -8.075 -12.184 -7.730 1.00 51.11 N ATOM 340 CA ASP A 23 -7.207 -11.967 -6.579 1.00 5.10 C ATOM 341 C ASP A 23 -6.469 -10.637 -6.698 1.00 24.11 C ATOM 342 O ASP A 23 -5.670 -10.278 -5.832 1.00 62.52 O ATOM 343 CB ASP A 23 -6.201 -13.112 -6.449 1.00 33.34 C ATOM 344 CG ASP A 23 -6.852 -14.473 -6.598 1.00 62.45 C ATOM 345 OD1 ASP A 23 -7.813 -14.757 -5.853 1.00 72.33 O ATOM 346 OD2 ASP A 23 -6.400 -15.254 -7.462 1.00 32.54 O ATOM 0 H ASP A 23 -7.696 -12.823 -8.430 1.00 51.11 H new ATOM 0 HA ASP A 23 -7.830 -11.938 -5.685 1.00 5.10 H new ATOM 0 HB2 ASP A 23 -5.425 -12.998 -7.206 1.00 33.34 H new ATOM 0 HB3 ASP A 23 -5.709 -13.052 -5.478 1.00 33.34 H new ATOM 351 N CYS A 24 -6.741 -9.910 -7.776 1.00 44.23 N ATOM 352 CA CYS A 24 -6.102 -8.620 -8.010 1.00 71.35 C ATOM 353 C CYS A 24 -7.118 -7.485 -7.917 1.00 20.41 C ATOM 354 O CYS A 24 -7.879 -7.222 -8.848 1.00 40.41 O ATOM 355 CB CYS A 24 -5.427 -8.604 -9.384 1.00 14.45 C ATOM 356 SG CYS A 24 -4.664 -10.189 -9.856 1.00 54.24 S ATOM 0 H CYS A 24 -7.400 -10.192 -8.502 1.00 44.23 H new ATOM 0 HA CYS A 24 -5.346 -8.471 -7.239 1.00 71.35 H new ATOM 0 HB2 CYS A 24 -6.166 -8.330 -10.137 1.00 14.45 H new ATOM 0 HB3 CYS A 24 -4.662 -7.828 -9.392 1.00 14.45 H new ATOM 0 HG CYS A 24 -4.163 -10.761 -8.801 1.00 54.24 H new ATOM 361 N PRO A 25 -7.131 -6.797 -6.766 1.00 13.30 N ATOM 362 CA PRO A 25 -8.048 -5.679 -6.523 1.00 43.30 C ATOM 363 C PRO A 25 -7.705 -4.455 -7.365 1.00 42.42 C ATOM 364 O PRO A 25 -8.567 -3.890 -8.037 1.00 10.11 O ATOM 365 CB PRO A 25 -7.852 -5.376 -5.035 1.00 64.23 C ATOM 366 CG PRO A 25 -6.477 -5.862 -4.728 1.00 11.20 C ATOM 367 CD PRO A 25 -6.252 -7.056 -5.613 1.00 73.24 C ATOM 0 HA PRO A 25 -9.075 -5.929 -6.789 1.00 43.30 H new ATOM 0 HB2 PRO A 25 -7.950 -4.310 -4.832 1.00 64.23 H new ATOM 0 HB3 PRO A 25 -8.598 -5.886 -4.425 1.00 64.23 H new ATOM 0 HG2 PRO A 25 -5.736 -5.086 -4.923 1.00 11.20 H new ATOM 0 HG3 PRO A 25 -6.385 -6.133 -3.676 1.00 11.20 H new ATOM 0 HD2 PRO A 25 -5.208 -7.141 -5.915 1.00 73.24 H new ATOM 0 HD3 PRO A 25 -6.515 -7.986 -5.108 1.00 73.24 H new ATOM 375 N GLY A 26 -6.439 -4.049 -7.325 1.00 20.53 N ATOM 376 CA GLY A 26 -6.005 -2.895 -8.089 1.00 1.31 C ATOM 377 C GLY A 26 -5.762 -3.223 -9.549 1.00 32.44 C ATOM 378 O GLY A 26 -6.194 -4.267 -10.037 1.00 31.22 O ATOM 0 H GLY A 26 -5.706 -4.500 -6.777 1.00 20.53 H new ATOM 0 HA2 GLY A 26 -6.759 -2.111 -8.017 1.00 1.31 H new ATOM 0 HA3 GLY A 26 -5.089 -2.498 -7.652 1.00 1.31 H new ATOM 382 N ALA A 27 -5.071 -2.330 -10.248 1.00 4.52 N ATOM 383 CA ALA A 27 -4.771 -2.530 -11.660 1.00 71.21 C ATOM 384 C ALA A 27 -4.146 -3.900 -11.900 1.00 33.44 C ATOM 385 O ALA A 27 -4.353 -4.514 -12.947 1.00 32.10 O ATOM 386 CB ALA A 27 -3.848 -1.431 -12.165 1.00 62.42 C ATOM 0 H ALA A 27 -4.708 -1.460 -9.859 1.00 4.52 H new ATOM 0 HA ALA A 27 -5.708 -2.485 -12.215 1.00 71.21 H new ATOM 0 HB1 ALA A 27 -3.633 -1.593 -13.221 1.00 62.42 H new ATOM 0 HB2 ALA A 27 -4.332 -0.463 -12.038 1.00 62.42 H new ATOM 0 HB3 ALA A 27 -2.917 -1.448 -11.598 1.00 62.42 H new ATOM 392 N CYS A 28 -3.380 -4.375 -10.923 1.00 74.10 N ATOM 393 CA CYS A 28 -2.724 -5.673 -11.027 1.00 42.54 C ATOM 394 C CYS A 28 -3.677 -6.721 -11.594 1.00 51.43 C ATOM 395 O CYS A 28 -4.892 -6.629 -11.418 1.00 33.14 O ATOM 396 CB CYS A 28 -2.212 -6.121 -9.657 1.00 14.52 C ATOM 397 SG CYS A 28 -3.327 -5.708 -8.276 1.00 71.42 S ATOM 0 H CYS A 28 -3.198 -3.880 -10.050 1.00 74.10 H new ATOM 0 HA CYS A 28 -1.879 -5.571 -11.707 1.00 42.54 H new ATOM 0 HB2 CYS A 28 -2.056 -7.200 -9.674 1.00 14.52 H new ATOM 0 HB3 CYS A 28 -1.240 -5.661 -9.476 1.00 14.52 H new ATOM 402 N ILE A 29 -3.117 -7.715 -12.275 1.00 53.22 N ATOM 403 CA ILE A 29 -3.917 -8.780 -12.866 1.00 70.44 C ATOM 404 C ILE A 29 -3.139 -10.091 -12.911 1.00 33.43 C ATOM 405 O ILE A 29 -1.914 -10.095 -13.032 1.00 21.31 O ATOM 406 CB ILE A 29 -4.372 -8.418 -14.292 1.00 41.14 C ATOM 407 CG1 ILE A 29 -3.160 -8.110 -15.175 1.00 34.21 C ATOM 408 CG2 ILE A 29 -5.325 -7.232 -14.259 1.00 63.31 C ATOM 409 CD1 ILE A 29 -3.490 -8.035 -16.649 1.00 73.22 C ATOM 0 H ILE A 29 -2.113 -7.805 -12.431 1.00 53.22 H new ATOM 0 HA ILE A 29 -4.796 -8.902 -12.233 1.00 70.44 H new ATOM 0 HB ILE A 29 -4.900 -9.272 -14.717 1.00 41.14 H new ATOM 0 HG12 ILE A 29 -2.723 -7.163 -14.860 1.00 34.21 H new ATOM 0 HG13 ILE A 29 -2.402 -8.878 -15.019 1.00 34.21 H new ATOM 0 HG21 ILE A 29 -5.638 -6.988 -15.274 1.00 63.31 H new ATOM 0 HG22 ILE A 29 -6.200 -7.485 -13.661 1.00 63.31 H new ATOM 0 HG23 ILE A 29 -4.821 -6.372 -13.818 1.00 63.31 H new ATOM 0 HD11 ILE A 29 -2.584 -7.814 -17.214 1.00 73.22 H new ATOM 0 HD12 ILE A 29 -3.899 -8.990 -16.979 1.00 73.22 H new ATOM 0 HD13 ILE A 29 -4.224 -7.247 -16.818 1.00 73.22 H new ATOM 421 N CYS A 30 -3.860 -11.204 -12.814 1.00 4.24 N ATOM 422 CA CYS A 30 -3.239 -12.522 -12.844 1.00 22.52 C ATOM 423 C CYS A 30 -2.823 -12.896 -14.264 1.00 13.40 C ATOM 424 O CYS A 30 -3.665 -13.214 -15.105 1.00 4.34 O ATOM 425 CB CYS A 30 -4.201 -13.575 -12.289 1.00 43.11 C ATOM 426 SG CYS A 30 -3.711 -15.292 -12.648 1.00 72.51 S ATOM 0 H CYS A 30 -4.875 -11.218 -12.714 1.00 4.24 H new ATOM 0 HA CYS A 30 -2.346 -12.489 -12.219 1.00 22.52 H new ATOM 0 HB2 CYS A 30 -4.278 -13.449 -11.209 1.00 43.11 H new ATOM 0 HB3 CYS A 30 -5.194 -13.398 -12.702 1.00 43.11 H new ATOM 431 N ARG A 31 -1.520 -12.854 -14.523 1.00 75.25 N ATOM 432 CA ARG A 31 -0.993 -13.187 -15.841 1.00 50.23 C ATOM 433 C ARG A 31 -0.094 -14.418 -15.772 1.00 51.13 C ATOM 434 O ARG A 31 0.167 -14.949 -14.694 1.00 34.13 O ATOM 435 CB ARG A 31 -0.212 -12.003 -16.415 1.00 62.20 C ATOM 436 CG ARG A 31 -0.212 -10.779 -15.514 1.00 72.11 C ATOM 437 CD ARG A 31 1.115 -10.621 -14.789 1.00 32.05 C ATOM 438 NE ARG A 31 1.797 -9.384 -15.159 1.00 63.10 N ATOM 439 CZ ARG A 31 2.608 -9.277 -16.206 1.00 22.43 C ATOM 440 NH1 ARG A 31 2.836 -10.328 -16.982 1.00 2.13 N ATOM 441 NH2 ARG A 31 3.192 -8.118 -16.478 1.00 45.42 N ATOM 0 H ARG A 31 -0.811 -12.593 -13.838 1.00 75.25 H new ATOM 0 HA ARG A 31 -1.835 -13.410 -16.496 1.00 50.23 H new ATOM 0 HB2 ARG A 31 0.818 -12.311 -16.595 1.00 62.20 H new ATOM 0 HB3 ARG A 31 -0.637 -11.732 -17.381 1.00 62.20 H new ATOM 0 HG2 ARG A 31 -0.411 -9.888 -16.109 1.00 72.11 H new ATOM 0 HG3 ARG A 31 -1.018 -10.862 -14.785 1.00 72.11 H new ATOM 0 HD2 ARG A 31 0.944 -10.632 -13.713 1.00 32.05 H new ATOM 0 HD3 ARG A 31 1.757 -11.471 -15.019 1.00 32.05 H new ATOM 0 HE ARG A 31 1.642 -8.557 -14.582 1.00 63.10 H new ATOM 0 HH11 ARG A 31 2.388 -11.221 -16.776 1.00 2.13 H new ATOM 0 HH12 ARG A 31 3.459 -10.243 -17.785 1.00 2.13 H new ATOM 0 HH21 ARG A 31 3.019 -7.308 -15.883 1.00 45.42 H new ATOM 0 HH22 ARG A 31 3.814 -8.037 -17.282 1.00 45.42 H new ATOM 455 N GLY A 32 0.377 -14.867 -16.932 1.00 55.31 N ATOM 456 CA GLY A 32 1.240 -16.032 -16.981 1.00 42.13 C ATOM 457 C GLY A 32 2.486 -15.866 -16.134 1.00 20.22 C ATOM 458 O GLY A 32 3.150 -16.845 -15.797 1.00 63.42 O ATOM 0 H GLY A 32 0.176 -14.444 -17.838 1.00 55.31 H new ATOM 0 HA2 GLY A 32 0.685 -16.906 -16.639 1.00 42.13 H new ATOM 0 HA3 GLY A 32 1.530 -16.223 -18.014 1.00 42.13 H new ATOM 462 N ASN A 33 2.804 -14.623 -15.789 1.00 45.33 N ATOM 463 CA ASN A 33 3.981 -14.332 -14.978 1.00 13.14 C ATOM 464 C ASN A 33 3.974 -15.157 -13.694 1.00 73.03 C ATOM 465 O ASN A 33 4.997 -15.291 -13.024 1.00 53.13 O ATOM 466 CB ASN A 33 4.036 -12.841 -14.638 1.00 61.03 C ATOM 467 CG ASN A 33 3.583 -12.554 -13.220 1.00 11.31 C ATOM 468 OD1 ASN A 33 2.439 -12.163 -12.989 1.00 54.42 O ATOM 469 ND2 ASN A 33 4.481 -12.747 -12.261 1.00 44.33 N ATOM 0 H ASN A 33 2.263 -13.801 -16.058 1.00 45.33 H new ATOM 0 HA ASN A 33 4.865 -14.599 -15.557 1.00 13.14 H new ATOM 0 HB2 ASN A 33 5.055 -12.478 -14.771 1.00 61.03 H new ATOM 0 HB3 ASN A 33 3.407 -12.289 -15.336 1.00 61.03 H new ATOM 0 HD21 ASN A 33 4.233 -12.570 -11.287 1.00 44.33 H new ATOM 0 HD22 ASN A 33 5.418 -13.072 -12.498 1.00 44.33 H new ATOM 476 N GLY A 34 2.812 -15.709 -13.358 1.00 74.24 N ATOM 477 CA GLY A 34 2.693 -16.515 -12.157 1.00 52.32 C ATOM 478 C GLY A 34 2.291 -15.695 -10.947 1.00 24.11 C ATOM 479 O GLY A 34 2.698 -15.994 -9.824 1.00 0.33 O ATOM 0 H GLY A 34 1.951 -15.612 -13.896 1.00 74.24 H new ATOM 0 HA2 GLY A 34 1.955 -17.300 -12.322 1.00 52.32 H new ATOM 0 HA3 GLY A 34 3.644 -17.008 -11.958 1.00 52.32 H new ATOM 483 N TYR A 35 1.493 -14.658 -11.175 1.00 30.40 N ATOM 484 CA TYR A 35 1.040 -13.790 -10.095 1.00 31.44 C ATOM 485 C TYR A 35 0.227 -12.620 -10.640 1.00 72.43 C ATOM 486 O TYR A 35 0.256 -12.334 -11.837 1.00 54.45 O ATOM 487 CB TYR A 35 2.236 -13.267 -9.297 1.00 53.02 C ATOM 488 CG TYR A 35 1.898 -12.102 -8.394 1.00 43.15 C ATOM 489 CD1 TYR A 35 1.346 -12.309 -7.137 1.00 21.15 C ATOM 490 CD2 TYR A 35 2.133 -10.793 -8.799 1.00 73.55 C ATOM 491 CE1 TYR A 35 1.036 -11.247 -6.309 1.00 74.50 C ATOM 492 CE2 TYR A 35 1.827 -9.726 -7.978 1.00 12.31 C ATOM 493 CZ TYR A 35 1.278 -9.958 -6.734 1.00 10.10 C ATOM 494 OH TYR A 35 0.971 -8.898 -5.912 1.00 4.30 O ATOM 0 H TYR A 35 1.146 -14.398 -12.098 1.00 30.40 H new ATOM 0 HA TYR A 35 0.400 -14.377 -9.436 1.00 31.44 H new ATOM 0 HB2 TYR A 35 2.642 -14.078 -8.693 1.00 53.02 H new ATOM 0 HB3 TYR A 35 3.020 -12.963 -9.991 1.00 53.02 H new ATOM 0 HD1 TYR A 35 1.156 -13.317 -6.801 1.00 21.15 H new ATOM 0 HD2 TYR A 35 2.562 -10.608 -9.773 1.00 73.55 H new ATOM 0 HE1 TYR A 35 0.607 -11.426 -5.334 1.00 74.50 H new ATOM 0 HE2 TYR A 35 2.016 -8.715 -8.308 1.00 12.31 H new ATOM 0 HH TYR A 35 1.204 -8.058 -6.360 1.00 4.30 H new ATOM 504 N CYS A 36 -0.498 -11.947 -9.753 1.00 22.31 N ATOM 505 CA CYS A 36 -1.320 -10.808 -10.143 1.00 3.14 C ATOM 506 C CYS A 36 -0.449 -9.617 -10.532 1.00 43.10 C ATOM 507 O CYS A 36 -0.386 -8.620 -9.815 1.00 4.54 O ATOM 508 CB CYS A 36 -2.259 -10.415 -9.000 1.00 65.22 C ATOM 509 SG CYS A 36 -3.991 -10.915 -9.257 1.00 14.02 S ATOM 0 H CYS A 36 -0.533 -12.171 -8.759 1.00 22.31 H new ATOM 0 HA CYS A 36 -1.914 -11.100 -11.009 1.00 3.14 H new ATOM 0 HB2 CYS A 36 -1.896 -10.863 -8.075 1.00 65.22 H new ATOM 0 HB3 CYS A 36 -2.220 -9.334 -8.867 1.00 65.22 H new ATOM 0 HG CYS A 36 -4.521 -10.180 -10.189 1.00 14.02 H new ATOM 514 N GLY A 37 0.222 -9.729 -11.675 1.00 33.52 N ATOM 515 CA GLY A 37 1.080 -8.656 -12.140 1.00 53.44 C ATOM 516 C GLY A 37 0.316 -7.595 -12.909 1.00 64.41 C ATOM 517 O GLY A 37 -0.642 -7.903 -13.618 1.00 42.41 O ATOM 0 H GLY A 37 0.186 -10.544 -12.287 1.00 33.52 H new ATOM 0 HA2 GLY A 37 1.576 -8.195 -11.286 1.00 53.44 H new ATOM 0 HA3 GLY A 37 1.862 -9.070 -12.777 1.00 53.44 H new TER 521 GLY A 37