USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 257 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 7 ASN : amide:sc= -6.66! C(o=-6.6!,f=-8.9!) USER MOD Set 1.2: A 11 SER OG : rot 16:sc= 0.0667! USER MOD Set 2.1: A 2 ASN : amide:sc= -6.56! K(o=-18!,f=-7.7) USER MOD Set 2.2: A 10 LYS NZ :NH3+ 167:sc= -11! (180deg=-6.56!) USER MOD Single : A 1 PHE N :NH3+ -154:sc= 1.44 (180deg=0.349) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -2.12! K(o=-2.1!,f=-0.66) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 4.273 -1.722 -11.832 1.00 1.04 N ATOM 2 CA PHE A 1 4.815 -1.365 -10.532 1.00 10.44 C ATOM 3 C PHE A 1 3.876 -1.805 -9.406 1.00 64.24 C ATOM 4 O PHE A 1 2.928 -2.552 -9.641 1.00 55.33 O ATOM 5 CB PHE A 1 4.944 0.160 -10.505 1.00 30.35 C ATOM 6 CG PHE A 1 3.634 0.900 -10.782 1.00 10.03 C ATOM 7 CD1 PHE A 1 3.214 1.082 -12.062 1.00 54.21 C ATOM 8 CD2 PHE A 1 2.890 1.376 -9.747 1.00 71.14 C ATOM 9 CE1 PHE A 1 1.998 1.769 -12.319 1.00 53.23 C ATOM 10 CE2 PHE A 1 1.674 2.063 -10.005 1.00 21.04 C ATOM 11 CZ PHE A 1 1.254 2.245 -11.285 1.00 54.11 C ATOM 0 H1 PHE A 1 5.050 -1.832 -12.514 1.00 1.04 H new ATOM 0 H2 PHE A 1 3.750 -2.618 -11.756 1.00 1.04 H new ATOM 0 H3 PHE A 1 3.630 -0.972 -12.158 1.00 1.04 H new ATOM 0 HA PHE A 1 5.775 -1.858 -10.381 1.00 10.44 H new ATOM 0 HB2 PHE A 1 5.323 0.465 -9.529 1.00 30.35 H new ATOM 0 HB3 PHE A 1 5.685 0.465 -11.244 1.00 30.35 H new ATOM 0 HD1 PHE A 1 3.805 0.704 -12.883 1.00 54.21 H new ATOM 0 HD2 PHE A 1 3.224 1.232 -8.730 1.00 71.14 H new ATOM 0 HE1 PHE A 1 1.664 1.913 -13.336 1.00 53.23 H new ATOM 0 HE2 PHE A 1 1.083 2.441 -9.184 1.00 21.04 H new ATOM 0 HZ PHE A 1 0.329 2.768 -11.481 1.00 54.11 H new ATOM 21 N ASN A 2 4.174 -1.324 -8.208 1.00 62.33 N ATOM 22 CA ASN A 2 3.369 -1.659 -7.046 1.00 71.11 C ATOM 23 C ASN A 2 3.246 -0.429 -6.144 1.00 65.23 C ATOM 24 O ASN A 2 2.157 0.118 -5.980 1.00 4.33 O ATOM 25 CB ASN A 2 4.017 -2.780 -6.231 1.00 61.14 C ATOM 26 CG ASN A 2 4.885 -3.673 -7.121 1.00 32.04 C ATOM 27 OD1 ASN A 2 4.464 -4.713 -7.599 1.00 72.24 O ATOM 28 ND2 ASN A 2 6.117 -3.210 -7.314 1.00 34.30 N ATOM 0 H ASN A 2 4.962 -0.705 -8.017 1.00 62.33 H new ATOM 0 HA ASN A 2 2.391 -1.988 -7.397 1.00 71.11 H new ATOM 0 HB2 ASN A 2 4.626 -2.351 -5.436 1.00 61.14 H new ATOM 0 HB3 ASN A 2 3.243 -3.380 -5.752 1.00 61.14 H new ATOM 0 HD21 ASN A 2 6.774 -3.734 -7.892 1.00 34.30 H new ATOM 0 HD22 ASN A 2 6.405 -2.331 -6.884 1.00 34.30 H new ATOM 35 N ARG A 3 4.379 -0.031 -5.584 1.00 10.02 N ATOM 36 CA ARG A 3 4.412 1.124 -4.703 1.00 3.11 C ATOM 37 C ARG A 3 3.953 2.377 -5.452 1.00 61.42 C ATOM 38 O ARG A 3 3.279 3.233 -4.882 1.00 42.10 O ATOM 39 CB ARG A 3 5.821 1.356 -4.151 1.00 75.34 C ATOM 40 CG ARG A 3 6.877 1.134 -5.236 1.00 2.14 C ATOM 41 CD ARG A 3 7.726 -0.101 -4.929 1.00 64.21 C ATOM 42 NE ARG A 3 8.153 -0.083 -3.512 1.00 64.02 N ATOM 43 CZ ARG A 3 8.780 -1.109 -2.897 1.00 52.42 C ATOM 44 NH1 ARG A 3 9.058 -2.245 -3.571 1.00 51.22 N ATOM 45 NH2 ARG A 3 9.116 -0.984 -1.627 1.00 3.11 N ATOM 0 H ARG A 3 5.280 -0.488 -5.723 1.00 10.02 H new ATOM 0 HA ARG A 3 3.736 0.926 -3.871 1.00 3.11 H new ATOM 0 HB2 ARG A 3 5.901 2.371 -3.763 1.00 75.34 H new ATOM 0 HB3 ARG A 3 6.004 0.680 -3.316 1.00 75.34 H new ATOM 0 HG2 ARG A 3 6.390 1.014 -6.204 1.00 2.14 H new ATOM 0 HG3 ARG A 3 7.519 2.012 -5.309 1.00 2.14 H new ATOM 0 HD2 ARG A 3 7.154 -1.006 -5.133 1.00 64.21 H new ATOM 0 HD3 ARG A 3 8.600 -0.123 -5.580 1.00 64.21 H new ATOM 0 HE ARG A 3 7.962 0.757 -2.966 1.00 64.02 H new ATOM 0 HH11 ARG A 3 8.794 -2.333 -4.552 1.00 51.22 H new ATOM 0 HH12 ARG A 3 9.532 -3.015 -3.099 1.00 51.22 H new ATOM 0 HH21 ARG A 3 8.902 -0.122 -1.125 1.00 3.11 H new ATOM 0 HH22 ARG A 3 9.590 -1.749 -1.147 1.00 3.11 H new ATOM 58 N GLY A 4 4.336 2.443 -6.719 1.00 3.43 N ATOM 59 CA GLY A 4 3.972 3.577 -7.552 1.00 23.21 C ATOM 60 C GLY A 4 3.987 4.877 -6.746 1.00 13.14 C ATOM 61 O GLY A 4 3.196 5.782 -7.006 1.00 54.24 O ATOM 0 H GLY A 4 4.894 1.730 -7.189 1.00 3.43 H new ATOM 0 HA2 GLY A 4 4.666 3.656 -8.389 1.00 23.21 H new ATOM 0 HA3 GLY A 4 2.980 3.419 -7.975 1.00 23.21 H new ATOM 65 N GLY A 5 4.895 4.929 -5.782 1.00 71.34 N ATOM 66 CA GLY A 5 5.023 6.103 -4.936 1.00 53.13 C ATOM 67 C GLY A 5 6.354 6.815 -5.184 1.00 23.11 C ATOM 68 O GLY A 5 6.417 8.043 -5.171 1.00 5.25 O ATOM 0 H GLY A 5 5.549 4.176 -5.568 1.00 71.34 H new ATOM 0 HA2 GLY A 5 4.198 6.788 -5.131 1.00 53.13 H new ATOM 0 HA3 GLY A 5 4.953 5.810 -3.888 1.00 53.13 H new ATOM 72 N TYR A 6 7.386 6.013 -5.404 1.00 75.20 N ATOM 73 CA TYR A 6 8.712 6.551 -5.654 1.00 70.42 C ATOM 74 C TYR A 6 9.593 5.526 -6.371 1.00 71.35 C ATOM 75 O TYR A 6 10.818 5.576 -6.270 1.00 72.25 O ATOM 76 CB TYR A 6 9.313 6.848 -4.279 1.00 13.01 C ATOM 77 CG TYR A 6 9.958 5.635 -3.606 1.00 35.30 C ATOM 78 CD1 TYR A 6 9.233 4.472 -3.440 1.00 63.40 C ATOM 79 CD2 TYR A 6 11.263 5.703 -3.165 1.00 4.21 C ATOM 80 CE1 TYR A 6 9.840 3.330 -2.807 1.00 22.43 C ATOM 81 CE2 TYR A 6 11.870 4.561 -2.532 1.00 3.24 C ATOM 82 CZ TYR A 6 11.129 3.431 -2.384 1.00 32.22 C ATOM 83 OH TYR A 6 11.702 2.352 -1.786 1.00 10.24 O ATOM 0 H TYR A 6 7.330 4.995 -5.414 1.00 75.20 H new ATOM 0 HA TYR A 6 8.653 7.438 -6.285 1.00 70.42 H new ATOM 0 HB2 TYR A 6 10.062 7.633 -4.383 1.00 13.01 H new ATOM 0 HB3 TYR A 6 8.530 7.238 -3.628 1.00 13.01 H new ATOM 0 HD1 TYR A 6 8.211 4.419 -3.785 1.00 63.40 H new ATOM 0 HD2 TYR A 6 11.830 6.613 -3.294 1.00 4.21 H new ATOM 0 HE1 TYR A 6 9.284 2.414 -2.671 1.00 22.43 H new ATOM 0 HE2 TYR A 6 12.891 4.601 -2.183 1.00 3.24 H new ATOM 0 HH TYR A 6 12.625 2.568 -1.537 1.00 10.24 H new ATOM 93 N ASN A 7 8.935 4.620 -7.080 1.00 52.11 N ATOM 94 CA ASN A 7 9.643 3.585 -7.814 1.00 32.00 C ATOM 95 C ASN A 7 10.412 4.223 -8.973 1.00 33.31 C ATOM 96 O ASN A 7 10.311 5.427 -9.201 1.00 2.21 O ATOM 97 CB ASN A 7 8.669 2.561 -8.400 1.00 33.13 C ATOM 98 CG ASN A 7 7.731 3.215 -9.417 1.00 4.02 C ATOM 99 OD1 ASN A 7 8.107 4.104 -10.164 1.00 33.51 O ATOM 100 ND2 ASN A 7 6.494 2.728 -9.404 1.00 20.43 N ATOM 0 H ASN A 7 7.919 4.581 -7.162 1.00 52.11 H new ATOM 0 HA ASN A 7 10.320 3.084 -7.122 1.00 32.00 H new ATOM 0 HB2 ASN A 7 9.227 1.756 -8.879 1.00 33.13 H new ATOM 0 HB3 ASN A 7 8.084 2.110 -7.598 1.00 33.13 H new ATOM 0 HD21 ASN A 7 5.793 3.099 -10.045 1.00 20.43 H new ATOM 0 HD22 ASN A 7 6.246 1.983 -8.753 1.00 20.43 H new ATOM 107 N PHE A 8 11.162 3.386 -9.674 1.00 45.23 N ATOM 108 CA PHE A 8 11.948 3.853 -10.804 1.00 1.11 C ATOM 109 C PHE A 8 12.558 2.678 -11.571 1.00 52.00 C ATOM 110 O PHE A 8 13.731 2.714 -11.940 1.00 13.42 O ATOM 111 CB PHE A 8 13.076 4.717 -10.237 1.00 44.23 C ATOM 112 CG PHE A 8 13.669 4.188 -8.929 1.00 54.15 C ATOM 113 CD1 PHE A 8 14.153 2.919 -8.867 1.00 34.33 C ATOM 114 CD2 PHE A 8 13.711 4.987 -7.830 1.00 10.32 C ATOM 115 CE1 PHE A 8 14.702 2.428 -7.653 1.00 23.31 C ATOM 116 CE2 PHE A 8 14.261 4.496 -6.616 1.00 54.31 C ATOM 117 CZ PHE A 8 14.745 3.227 -6.553 1.00 73.13 C ATOM 0 H PHE A 8 11.242 2.387 -9.482 1.00 45.23 H new ATOM 0 HA PHE A 8 11.314 4.412 -11.493 1.00 1.11 H new ATOM 0 HB2 PHE A 8 13.870 4.792 -10.980 1.00 44.23 H new ATOM 0 HB3 PHE A 8 12.698 5.726 -10.071 1.00 44.23 H new ATOM 0 HD1 PHE A 8 14.120 2.285 -9.741 1.00 34.33 H new ATOM 0 HD2 PHE A 8 13.326 5.995 -7.880 1.00 10.32 H new ATOM 0 HE1 PHE A 8 15.086 1.420 -7.603 1.00 23.31 H new ATOM 0 HE2 PHE A 8 14.295 5.131 -5.743 1.00 54.31 H new ATOM 0 HZ PHE A 8 15.163 2.854 -5.630 1.00 73.13 H new ATOM 127 N GLY A 9 11.734 1.664 -11.789 1.00 32.54 N ATOM 128 CA GLY A 9 12.177 0.480 -12.505 1.00 62.31 C ATOM 129 C GLY A 9 10.988 -0.393 -12.912 1.00 13.42 C ATOM 130 O GLY A 9 10.825 -0.718 -14.087 1.00 24.53 O ATOM 0 H GLY A 9 10.762 1.638 -11.482 1.00 32.54 H new ATOM 0 HA2 GLY A 9 12.736 0.776 -13.393 1.00 62.31 H new ATOM 0 HA3 GLY A 9 12.857 -0.096 -11.877 1.00 62.31 H new ATOM 134 N LYS A 10 10.187 -0.746 -11.917 1.00 55.25 N ATOM 135 CA LYS A 10 9.017 -1.574 -12.157 1.00 12.00 C ATOM 136 C LYS A 10 8.021 -0.804 -13.027 1.00 5.20 C ATOM 137 O LYS A 10 7.614 -1.284 -14.084 1.00 3.51 O ATOM 138 CB LYS A 10 8.426 -2.063 -10.833 1.00 24.11 C ATOM 139 CG LYS A 10 9.523 -2.264 -9.785 1.00 12.23 C ATOM 140 CD LYS A 10 9.484 -1.155 -8.732 1.00 0.45 C ATOM 141 CE LYS A 10 8.203 -1.233 -7.899 1.00 75.15 C ATOM 142 NZ LYS A 10 8.402 -2.107 -6.722 1.00 31.02 N ATOM 0 H LYS A 10 10.325 -0.474 -10.944 1.00 55.25 H new ATOM 0 HA LYS A 10 9.294 -2.473 -12.708 1.00 12.00 H new ATOM 0 HB2 LYS A 10 7.696 -1.341 -10.467 1.00 24.11 H new ATOM 0 HB3 LYS A 10 7.894 -3.001 -10.992 1.00 24.11 H new ATOM 0 HG2 LYS A 10 9.397 -3.233 -9.303 1.00 12.23 H new ATOM 0 HG3 LYS A 10 10.498 -2.275 -10.272 1.00 12.23 H new ATOM 0 HD2 LYS A 10 10.352 -1.239 -8.079 1.00 0.45 H new ATOM 0 HD3 LYS A 10 9.545 -0.183 -9.221 1.00 0.45 H new ATOM 0 HE2 LYS A 10 7.913 -0.234 -7.573 1.00 75.15 H new ATOM 0 HE3 LYS A 10 7.387 -1.618 -8.511 1.00 75.15 H new ATOM 0 HZ1 LYS A 10 7.613 -1.979 -6.057 1.00 31.02 H new ATOM 0 HZ2 LYS A 10 8.438 -3.100 -7.029 1.00 31.02 H new ATOM 0 HZ3 LYS A 10 9.295 -1.858 -6.251 1.00 31.02 H new ATOM 155 N SER A 11 7.658 0.378 -12.550 1.00 63.21 N ATOM 156 CA SER A 11 6.718 1.219 -13.271 1.00 42.11 C ATOM 157 C SER A 11 7.201 1.430 -14.708 1.00 15.53 C ATOM 158 O SER A 11 6.392 1.551 -15.627 1.00 33.35 O ATOM 159 CB SER A 11 6.534 2.566 -12.569 1.00 42.14 C ATOM 160 OG SER A 11 5.167 2.826 -12.263 1.00 20.12 O ATOM 0 H SER A 11 7.998 0.773 -11.673 1.00 63.21 H new ATOM 0 HA SER A 11 5.752 0.715 -13.290 1.00 42.11 H new ATOM 0 HB2 SER A 11 7.120 2.579 -11.650 1.00 42.14 H new ATOM 0 HB3 SER A 11 6.921 3.362 -13.205 1.00 42.14 H new ATOM 0 HG SER A 11 4.652 1.995 -12.336 1.00 20.12 H new ATOM 166 N VAL A 12 8.516 1.469 -14.856 1.00 45.44 N ATOM 167 CA VAL A 12 9.116 1.664 -16.165 1.00 43.25 C ATOM 168 C VAL A 12 8.748 0.487 -17.071 1.00 13.12 C ATOM 169 O VAL A 12 8.572 0.658 -18.276 1.00 73.22 O ATOM 170 CB VAL A 12 10.627 1.860 -16.025 1.00 2.00 C ATOM 171 CG1 VAL A 12 11.354 1.460 -17.311 1.00 12.04 C ATOM 172 CG2 VAL A 12 10.959 3.301 -15.633 1.00 40.32 C ATOM 0 H VAL A 12 9.184 1.369 -14.091 1.00 45.44 H new ATOM 0 HA VAL A 12 8.726 2.568 -16.632 1.00 43.25 H new ATOM 0 HB VAL A 12 10.977 1.206 -15.226 1.00 2.00 H new ATOM 0 HG11 VAL A 12 12.426 1.609 -17.184 1.00 12.04 H new ATOM 0 HG12 VAL A 12 11.157 0.410 -17.529 1.00 12.04 H new ATOM 0 HG13 VAL A 12 10.997 2.075 -18.137 1.00 12.04 H new ATOM 0 HG21 VAL A 12 12.039 3.413 -15.540 1.00 40.32 H new ATOM 0 HG22 VAL A 12 10.588 3.981 -16.400 1.00 40.32 H new ATOM 0 HG23 VAL A 12 10.486 3.537 -14.679 1.00 40.32 H new ATOM 182 N ARG A 13 8.642 -0.681 -16.455 1.00 33.20 N ATOM 183 CA ARG A 13 8.297 -1.886 -17.190 1.00 63.22 C ATOM 184 C ARG A 13 6.853 -1.809 -17.688 1.00 74.43 C ATOM 185 O ARG A 13 6.535 -2.316 -18.763 1.00 62.12 O ATOM 186 CB ARG A 13 8.463 -3.131 -16.316 1.00 14.10 C ATOM 187 CG ARG A 13 9.863 -3.189 -15.703 1.00 44.44 C ATOM 188 CD ARG A 13 10.918 -2.705 -16.701 1.00 23.52 C ATOM 189 NE ARG A 13 10.795 -3.456 -17.971 1.00 4.25 N ATOM 190 CZ ARG A 13 11.109 -4.761 -18.112 1.00 22.23 C ATOM 191 NH1 ARG A 13 11.568 -5.473 -17.060 1.00 62.15 N ATOM 192 NH2 ARG A 13 10.961 -5.331 -19.293 1.00 74.10 N ATOM 0 H ARG A 13 8.789 -0.819 -15.455 1.00 33.20 H new ATOM 0 HA ARG A 13 8.974 -1.961 -18.041 1.00 63.22 H new ATOM 0 HB2 ARG A 13 7.715 -3.125 -15.523 1.00 14.10 H new ATOM 0 HB3 ARG A 13 8.287 -4.025 -16.914 1.00 14.10 H new ATOM 0 HG2 ARG A 13 9.897 -2.572 -14.805 1.00 44.44 H new ATOM 0 HG3 ARG A 13 10.088 -4.211 -15.397 1.00 44.44 H new ATOM 0 HD2 ARG A 13 10.793 -1.638 -16.886 1.00 23.52 H new ATOM 0 HD3 ARG A 13 11.915 -2.841 -16.283 1.00 23.52 H new ATOM 0 HE ARG A 13 10.451 -2.956 -18.791 1.00 4.25 H new ATOM 0 HH11 ARG A 13 11.680 -5.025 -16.151 1.00 62.15 H new ATOM 0 HH12 ARG A 13 11.803 -6.459 -17.175 1.00 62.15 H new ATOM 0 HH21 ARG A 13 10.614 -4.786 -20.082 1.00 74.10 H new ATOM 0 HH22 ARG A 13 11.194 -6.316 -19.416 1.00 74.10 H new ATOM 205 N HIS A 14 6.016 -1.172 -16.883 1.00 12.20 N ATOM 206 CA HIS A 14 4.612 -1.022 -17.229 1.00 24.25 C ATOM 207 C HIS A 14 4.460 0.063 -18.296 1.00 14.20 C ATOM 208 O HIS A 14 3.707 -0.105 -19.254 1.00 14.30 O ATOM 209 CB HIS A 14 3.772 -0.748 -15.980 1.00 33.41 C ATOM 210 CG HIS A 14 2.575 0.138 -16.228 1.00 14.12 C ATOM 211 ND1 HIS A 14 1.272 -0.298 -16.062 1.00 74.24 N ATOM 212 CD2 HIS A 14 2.497 1.439 -16.629 1.00 50.33 C ATOM 213 CE1 HIS A 14 0.455 0.703 -16.355 1.00 11.22 C ATOM 214 NE2 HIS A 14 1.216 1.779 -16.706 1.00 63.04 N ATOM 0 H HIS A 14 6.283 -0.754 -15.992 1.00 12.20 H new ATOM 0 HA HIS A 14 4.236 -1.953 -17.652 1.00 24.25 H new ATOM 0 HB2 HIS A 14 3.429 -1.698 -15.569 1.00 33.41 H new ATOM 0 HB3 HIS A 14 4.405 -0.283 -15.224 1.00 33.41 H new ATOM 0 HD2 HIS A 14 3.336 2.084 -16.847 1.00 50.33 H new ATOM 0 HE1 HIS A 14 -0.624 0.672 -16.322 1.00 11.22 H new ATOM 0 HE2 HIS A 14 0.860 2.694 -16.982 1.00 63.04 H new ATOM 222 N VAL A 15 5.186 1.153 -18.095 1.00 23.44 N ATOM 223 CA VAL A 15 5.141 2.265 -19.028 1.00 1.42 C ATOM 224 C VAL A 15 5.775 1.840 -20.354 1.00 31.44 C ATOM 225 O VAL A 15 5.340 2.271 -21.420 1.00 45.23 O ATOM 226 CB VAL A 15 5.814 3.493 -18.411 1.00 12.43 C ATOM 227 CG1 VAL A 15 7.289 3.568 -18.808 1.00 42.13 C ATOM 228 CG2 VAL A 15 5.076 4.776 -18.799 1.00 75.01 C ATOM 0 H VAL A 15 5.809 1.289 -17.299 1.00 23.44 H new ATOM 0 HA VAL A 15 4.109 2.546 -19.237 1.00 1.42 H new ATOM 0 HB VAL A 15 5.764 3.392 -17.327 1.00 12.43 H new ATOM 0 HG11 VAL A 15 7.743 4.450 -18.356 1.00 42.13 H new ATOM 0 HG12 VAL A 15 7.806 2.674 -18.458 1.00 42.13 H new ATOM 0 HG13 VAL A 15 7.371 3.633 -19.893 1.00 42.13 H new ATOM 0 HG21 VAL A 15 5.575 5.633 -18.347 1.00 75.01 H new ATOM 0 HG22 VAL A 15 5.080 4.884 -19.884 1.00 75.01 H new ATOM 0 HG23 VAL A 15 4.047 4.726 -18.443 1.00 75.01 H new ATOM 238 N VAL A 16 6.792 0.998 -20.243 1.00 61.12 N ATOM 239 CA VAL A 16 7.490 0.509 -21.420 1.00 61.11 C ATOM 240 C VAL A 16 6.482 -0.129 -22.377 1.00 75.24 C ATOM 241 O VAL A 16 6.561 0.067 -23.589 1.00 73.21 O ATOM 242 CB VAL A 16 8.609 -0.449 -21.005 1.00 12.32 C ATOM 243 CG1 VAL A 16 8.960 -1.408 -22.144 1.00 5.31 C ATOM 244 CG2 VAL A 16 9.844 0.322 -20.536 1.00 3.13 C ATOM 0 H VAL A 16 7.149 0.642 -19.356 1.00 61.12 H new ATOM 0 HA VAL A 16 7.966 1.333 -21.951 1.00 61.11 H new ATOM 0 HB VAL A 16 8.247 -1.044 -20.166 1.00 12.32 H new ATOM 0 HG11 VAL A 16 9.758 -2.078 -21.823 1.00 5.31 H new ATOM 0 HG12 VAL A 16 8.080 -1.993 -22.411 1.00 5.31 H new ATOM 0 HG13 VAL A 16 9.293 -0.837 -23.011 1.00 5.31 H new ATOM 0 HG21 VAL A 16 10.624 -0.382 -20.247 1.00 3.13 H new ATOM 0 HG22 VAL A 16 10.208 0.954 -21.346 1.00 3.13 H new ATOM 0 HG23 VAL A 16 9.581 0.944 -19.680 1.00 3.13 H new ATOM 254 N ASP A 17 5.557 -0.880 -21.797 1.00 55.24 N ATOM 255 CA ASP A 17 4.534 -1.548 -22.584 1.00 14.11 C ATOM 256 C ASP A 17 3.542 -0.509 -23.111 1.00 41.24 C ATOM 257 O ASP A 17 2.891 -0.728 -24.132 1.00 24.42 O ATOM 258 CB ASP A 17 3.756 -2.555 -21.734 1.00 52.14 C ATOM 259 CG ASP A 17 4.211 -4.009 -21.876 1.00 4.40 C ATOM 260 OD1 ASP A 17 4.856 -4.382 -22.867 1.00 63.20 O ATOM 261 OD2 ASP A 17 3.874 -4.783 -20.901 1.00 74.22 O ATOM 0 H ASP A 17 5.495 -1.041 -20.792 1.00 55.24 H new ATOM 0 HA ASP A 17 5.027 -2.071 -23.403 1.00 14.11 H new ATOM 0 HB2 ASP A 17 3.839 -2.265 -20.687 1.00 52.14 H new ATOM 0 HB3 ASP A 17 2.701 -2.493 -21.999 1.00 52.14 H new ATOM 267 N ALA A 18 3.458 0.601 -22.392 1.00 62.31 N ATOM 268 CA ALA A 18 2.557 1.674 -22.775 1.00 1.42 C ATOM 269 C ALA A 18 2.987 2.236 -24.132 1.00 20.15 C ATOM 270 O ALA A 18 2.149 2.659 -24.926 1.00 73.53 O ATOM 271 CB ALA A 18 2.542 2.743 -21.680 1.00 32.11 C ATOM 0 H ALA A 18 3.999 0.780 -21.546 1.00 62.31 H new ATOM 0 HA ALA A 18 1.539 1.300 -22.881 1.00 1.42 H new ATOM 0 HB1 ALA A 18 1.866 3.548 -21.967 1.00 32.11 H new ATOM 0 HB2 ALA A 18 2.202 2.300 -20.744 1.00 32.11 H new ATOM 0 HB3 ALA A 18 3.547 3.143 -21.548 1.00 32.11 H new ATOM 277 N ILE A 19 4.293 2.222 -24.355 1.00 11.22 N ATOM 278 CA ILE A 19 4.844 2.725 -25.602 1.00 23.13 C ATOM 279 C ILE A 19 4.318 1.880 -26.764 1.00 43.30 C ATOM 280 O ILE A 19 4.324 2.324 -27.911 1.00 41.41 O ATOM 281 CB ILE A 19 6.371 2.785 -25.527 1.00 23.24 C ATOM 282 CG1 ILE A 19 6.830 3.867 -24.547 1.00 40.12 C ATOM 283 CG2 ILE A 19 6.981 2.974 -26.917 1.00 25.01 C ATOM 284 CD1 ILE A 19 7.757 3.283 -23.480 1.00 25.03 C ATOM 0 H ILE A 19 4.985 1.870 -23.694 1.00 11.22 H new ATOM 0 HA ILE A 19 4.516 3.749 -25.778 1.00 23.13 H new ATOM 0 HB ILE A 19 6.732 1.830 -25.144 1.00 23.24 H new ATOM 0 HG12 ILE A 19 7.347 4.658 -25.090 1.00 40.12 H new ATOM 0 HG13 ILE A 19 5.962 4.322 -24.070 1.00 40.12 H new ATOM 0 HG21 ILE A 19 8.067 3.013 -26.835 1.00 25.01 H new ATOM 0 HG22 ILE A 19 6.695 2.139 -27.556 1.00 25.01 H new ATOM 0 HG23 ILE A 19 6.616 3.905 -27.351 1.00 25.01 H new ATOM 0 HD11 ILE A 19 8.068 4.073 -22.797 1.00 25.03 H new ATOM 0 HD12 ILE A 19 7.229 2.509 -22.923 1.00 25.03 H new ATOM 0 HD13 ILE A 19 8.635 2.850 -23.959 1.00 25.03 H new ATOM 296 N GLY A 20 3.876 0.678 -26.427 1.00 63.31 N ATOM 297 CA GLY A 20 3.348 -0.233 -27.429 1.00 30.15 C ATOM 298 C GLY A 20 1.835 -0.399 -27.275 1.00 32.55 C ATOM 299 O GLY A 20 1.155 -0.822 -28.208 1.00 70.34 O ATOM 0 H GLY A 20 3.872 0.313 -25.474 1.00 63.31 H new ATOM 0 HA2 GLY A 20 3.577 0.145 -28.426 1.00 30.15 H new ATOM 0 HA3 GLY A 20 3.835 -1.204 -27.336 1.00 30.15 H new ATOM 303 N SER A 21 1.352 -0.058 -26.089 1.00 32.31 N ATOM 304 CA SER A 21 -0.068 -0.165 -25.801 1.00 14.54 C ATOM 305 C SER A 21 -0.777 1.140 -26.172 1.00 61.44 C ATOM 306 O SER A 21 -2.005 1.191 -26.221 1.00 1.34 O ATOM 307 CB SER A 21 -0.308 -0.497 -24.327 1.00 23.05 C ATOM 308 OG SER A 21 -1.606 -1.042 -24.106 1.00 41.11 O ATOM 0 H SER A 21 1.919 0.292 -25.317 1.00 32.31 H new ATOM 0 HA SER A 21 -0.478 -0.978 -26.400 1.00 14.54 H new ATOM 0 HB2 SER A 21 0.446 -1.208 -23.988 1.00 23.05 H new ATOM 0 HB3 SER A 21 -0.187 0.406 -23.728 1.00 23.05 H new ATOM 0 HG SER A 21 -1.719 -1.242 -23.153 1.00 41.11 H new ATOM 314 N VAL A 22 0.028 2.161 -26.426 1.00 12.34 N ATOM 315 CA VAL A 22 -0.507 3.462 -26.792 1.00 3.04 C ATOM 316 C VAL A 22 -1.309 3.332 -28.088 1.00 11.51 C ATOM 317 O VAL A 22 -2.275 4.064 -28.300 1.00 44.42 O ATOM 318 CB VAL A 22 0.627 4.485 -26.890 1.00 20.20 C ATOM 319 CG1 VAL A 22 1.728 3.994 -27.832 1.00 51.03 C ATOM 320 CG2 VAL A 22 0.097 5.851 -27.331 1.00 34.45 C ATOM 0 H VAL A 22 1.046 2.114 -26.386 1.00 12.34 H new ATOM 0 HA VAL A 22 -1.189 3.825 -26.023 1.00 3.04 H new ATOM 0 HB VAL A 22 1.062 4.599 -25.897 1.00 20.20 H new ATOM 0 HG11 VAL A 22 2.522 4.739 -27.884 1.00 51.03 H new ATOM 0 HG12 VAL A 22 2.136 3.055 -27.457 1.00 51.03 H new ATOM 0 HG13 VAL A 22 1.312 3.837 -28.827 1.00 51.03 H new ATOM 0 HG21 VAL A 22 0.923 6.559 -27.393 1.00 34.45 H new ATOM 0 HG22 VAL A 22 -0.376 5.759 -28.309 1.00 34.45 H new ATOM 0 HG23 VAL A 22 -0.634 6.209 -26.606 1.00 34.45 H new ATOM 330 N ALA A 23 -0.880 2.396 -28.921 1.00 22.01 N ATOM 331 CA ALA A 23 -1.546 2.161 -30.191 1.00 12.24 C ATOM 332 C ALA A 23 -2.910 1.516 -29.934 1.00 43.24 C ATOM 333 O ALA A 23 -3.768 1.499 -30.816 1.00 2.25 O ATOM 334 CB ALA A 23 -0.652 1.300 -31.085 1.00 33.52 C ATOM 0 H ALA A 23 -0.079 1.791 -28.741 1.00 22.01 H new ATOM 0 HA ALA A 23 -1.719 3.102 -30.714 1.00 12.24 H new ATOM 0 HB1 ALA A 23 -1.152 1.124 -32.038 1.00 33.52 H new ATOM 0 HB2 ALA A 23 0.292 1.816 -31.260 1.00 33.52 H new ATOM 0 HB3 ALA A 23 -0.458 0.346 -30.595 1.00 33.52 H new ATOM 340 N GLY A 24 -3.067 1.001 -28.724 1.00 2.11 N ATOM 341 CA GLY A 24 -4.311 0.357 -28.341 1.00 34.45 C ATOM 342 C GLY A 24 -5.044 1.171 -27.272 1.00 73.23 C ATOM 343 O GLY A 24 -6.214 0.917 -26.987 1.00 5.20 O ATOM 0 H GLY A 24 -2.353 1.017 -27.996 1.00 2.11 H new ATOM 0 HA2 GLY A 24 -4.950 0.242 -29.217 1.00 34.45 H new ATOM 0 HA3 GLY A 24 -4.105 -0.644 -27.963 1.00 34.45 H new ATOM 347 N ILE A 25 -4.326 2.133 -26.711 1.00 34.40 N ATOM 348 CA ILE A 25 -4.894 2.986 -25.681 1.00 22.45 C ATOM 349 C ILE A 25 -5.495 4.233 -26.331 1.00 50.01 C ATOM 350 O ILE A 25 -6.545 4.714 -25.907 1.00 62.13 O ATOM 351 CB ILE A 25 -3.849 3.295 -24.606 1.00 74.01 C ATOM 352 CG1 ILE A 25 -3.420 2.021 -23.876 1.00 62.20 C ATOM 353 CG2 ILE A 25 -4.358 4.366 -23.639 1.00 34.20 C ATOM 354 CD1 ILE A 25 -2.007 2.165 -23.306 1.00 51.24 C ATOM 0 H ILE A 25 -3.356 2.340 -26.950 1.00 34.40 H new ATOM 0 HA ILE A 25 -5.706 2.473 -25.166 1.00 22.45 H new ATOM 0 HB ILE A 25 -2.963 3.699 -25.096 1.00 74.01 H new ATOM 0 HG12 ILE A 25 -4.121 1.806 -23.070 1.00 62.20 H new ATOM 0 HG13 ILE A 25 -3.455 1.175 -24.562 1.00 62.20 H new ATOM 0 HG21 ILE A 25 -3.597 4.567 -22.885 1.00 34.20 H new ATOM 0 HG22 ILE A 25 -4.573 5.281 -24.190 1.00 34.20 H new ATOM 0 HG23 ILE A 25 -5.267 4.014 -23.152 1.00 34.20 H new ATOM 0 HD11 ILE A 25 -1.727 1.246 -22.792 1.00 51.24 H new ATOM 0 HD12 ILE A 25 -1.305 2.356 -24.118 1.00 51.24 H new ATOM 0 HD13 ILE A 25 -1.982 2.996 -22.602 1.00 51.24 H new ATOM 366 N ARG A 26 -4.804 4.721 -27.350 1.00 45.53 N ATOM 367 CA ARG A 26 -5.256 5.904 -28.064 1.00 30.24 C ATOM 368 C ARG A 26 -6.498 5.579 -28.896 1.00 20.41 C ATOM 369 O ARG A 26 -7.276 6.470 -29.231 1.00 12.44 O ATOM 370 CB ARG A 26 -4.160 6.444 -28.985 1.00 14.34 C ATOM 371 CG ARG A 26 -4.719 7.502 -29.939 1.00 61.42 C ATOM 372 CD ARG A 26 -5.207 6.862 -31.240 1.00 55.25 C ATOM 373 NE ARG A 26 -4.589 7.541 -32.401 1.00 63.52 N ATOM 374 CZ ARG A 26 -3.354 7.262 -32.871 1.00 0.23 C ATOM 375 NH1 ARG A 26 -2.594 6.315 -32.281 1.00 73.31 N ATOM 376 NH2 ARG A 26 -2.901 7.931 -33.915 1.00 24.52 N ATOM 0 H ARG A 26 -3.934 4.319 -27.699 1.00 45.53 H new ATOM 0 HA ARG A 26 -5.500 6.666 -27.323 1.00 30.24 H new ATOM 0 HB2 ARG A 26 -3.357 6.876 -28.387 1.00 14.34 H new ATOM 0 HB3 ARG A 26 -3.725 5.625 -29.558 1.00 14.34 H new ATOM 0 HG2 ARG A 26 -5.542 8.032 -29.459 1.00 61.42 H new ATOM 0 HG3 ARG A 26 -3.949 8.242 -30.159 1.00 61.42 H new ATOM 0 HD2 ARG A 26 -4.953 5.802 -31.251 1.00 55.25 H new ATOM 0 HD3 ARG A 26 -6.293 6.931 -31.304 1.00 55.25 H new ATOM 0 HE ARG A 26 -5.129 8.264 -32.875 1.00 63.52 H new ATOM 0 HH11 ARG A 26 -2.951 5.804 -31.474 1.00 73.31 H new ATOM 0 HH12 ARG A 26 -1.662 6.111 -32.642 1.00 73.31 H new ATOM 0 HH21 ARG A 26 -3.481 8.646 -34.354 1.00 24.52 H new ATOM 0 HH22 ARG A 26 -1.970 7.733 -34.283 1.00 24.52 H new ATOM 389 N GLY A 27 -6.645 4.299 -29.206 1.00 61.02 N ATOM 390 CA GLY A 27 -7.779 3.845 -29.993 1.00 40.10 C ATOM 391 C GLY A 27 -9.022 3.678 -29.117 1.00 55.52 C ATOM 392 O GLY A 27 -10.145 3.677 -29.620 1.00 61.35 O ATOM 0 H GLY A 27 -5.998 3.562 -28.926 1.00 61.02 H new ATOM 0 HA2 GLY A 27 -7.984 4.561 -30.789 1.00 40.10 H new ATOM 0 HA3 GLY A 27 -7.537 2.896 -30.472 1.00 40.10 H new ATOM 396 N ILE A 28 -8.781 3.543 -27.822 1.00 22.53 N ATOM 397 CA ILE A 28 -9.867 3.376 -26.871 1.00 71.32 C ATOM 398 C ILE A 28 -10.451 4.747 -26.524 1.00 65.13 C ATOM 399 O ILE A 28 -11.629 4.857 -26.189 1.00 41.43 O ATOM 400 CB ILE A 28 -9.395 2.582 -25.651 1.00 64.05 C ATOM 401 CG1 ILE A 28 -8.548 3.455 -24.724 1.00 4.25 C ATOM 402 CG2 ILE A 28 -8.655 1.312 -26.077 1.00 21.02 C ATOM 403 CD1 ILE A 28 -9.073 3.400 -23.288 1.00 13.13 C ATOM 0 H ILE A 28 -7.849 3.546 -27.408 1.00 22.53 H new ATOM 0 HA ILE A 28 -10.672 2.788 -27.312 1.00 71.32 H new ATOM 0 HB ILE A 28 -10.273 2.269 -25.086 1.00 64.05 H new ATOM 0 HG12 ILE A 28 -7.511 3.119 -24.749 1.00 4.25 H new ATOM 0 HG13 ILE A 28 -8.558 4.485 -25.079 1.00 4.25 H new ATOM 0 HG21 ILE A 28 -8.330 0.766 -25.191 1.00 21.02 H new ATOM 0 HG22 ILE A 28 -9.322 0.683 -26.667 1.00 21.02 H new ATOM 0 HG23 ILE A 28 -7.785 1.581 -26.677 1.00 21.02 H new ATOM 0 HD11 ILE A 28 -8.453 4.029 -22.650 1.00 13.13 H new ATOM 0 HD12 ILE A 28 -10.102 3.759 -23.263 1.00 13.13 H new ATOM 0 HD13 ILE A 28 -9.039 2.372 -22.927 1.00 13.13 H new ATOM 415 N LEU A 29 -9.599 5.757 -26.616 1.00 44.45 N ATOM 416 CA LEU A 29 -10.015 7.117 -26.317 1.00 21.14 C ATOM 417 C LEU A 29 -10.901 7.636 -27.450 1.00 53.14 C ATOM 418 O LEU A 29 -11.925 8.271 -27.202 1.00 10.13 O ATOM 419 CB LEU A 29 -8.798 8.000 -26.034 1.00 22.11 C ATOM 420 CG LEU A 29 -8.503 9.088 -27.069 1.00 33.41 C ATOM 421 CD1 LEU A 29 -9.245 10.382 -26.730 1.00 51.01 C ATOM 422 CD2 LEU A 29 -6.997 9.312 -27.215 1.00 61.33 C ATOM 0 H LEU A 29 -8.622 5.661 -26.893 1.00 44.45 H new ATOM 0 HA LEU A 29 -10.615 7.140 -25.407 1.00 21.14 H new ATOM 0 HB2 LEU A 29 -8.938 8.477 -25.064 1.00 22.11 H new ATOM 0 HB3 LEU A 29 -7.921 7.359 -25.950 1.00 22.11 H new ATOM 0 HG LEU A 29 -8.873 8.749 -28.037 1.00 33.41 H new ATOM 0 HD11 LEU A 29 -9.018 11.139 -27.481 1.00 51.01 H new ATOM 0 HD12 LEU A 29 -10.318 10.193 -26.718 1.00 51.01 H new ATOM 0 HD13 LEU A 29 -8.928 10.737 -25.750 1.00 51.01 H new ATOM 0 HD21 LEU A 29 -6.815 10.090 -27.956 1.00 61.33 H new ATOM 0 HD22 LEU A 29 -6.580 9.620 -26.256 1.00 61.33 H new ATOM 0 HD23 LEU A 29 -6.521 8.386 -27.537 1.00 61.33 H new ATOM 434 N LYS A 30 -10.476 7.347 -28.671 1.00 63.32 N ATOM 435 CA LYS A 30 -11.218 7.776 -29.844 1.00 40.51 C ATOM 436 C LYS A 30 -12.539 7.008 -29.916 1.00 13.43 C ATOM 437 O LYS A 30 -13.416 7.347 -30.709 1.00 13.42 O ATOM 438 CB LYS A 30 -10.358 7.640 -31.102 1.00 72.42 C ATOM 439 CG LYS A 30 -9.965 6.180 -31.342 1.00 15.41 C ATOM 440 CD LYS A 30 -10.996 5.473 -32.225 1.00 45.42 C ATOM 441 CE LYS A 30 -10.453 5.265 -33.641 1.00 12.43 C ATOM 442 NZ LYS A 30 -11.515 4.745 -34.531 1.00 41.31 N ATOM 0 H LYS A 30 -9.626 6.820 -28.873 1.00 63.32 H new ATOM 0 HA LYS A 30 -11.468 8.834 -29.770 1.00 40.51 H new ATOM 0 HB2 LYS A 30 -10.906 8.019 -31.964 1.00 72.42 H new ATOM 0 HB3 LYS A 30 -9.460 8.250 -31.001 1.00 72.42 H new ATOM 0 HG2 LYS A 30 -8.984 6.137 -31.816 1.00 15.41 H new ATOM 0 HG3 LYS A 30 -9.881 5.661 -30.387 1.00 15.41 H new ATOM 0 HD2 LYS A 30 -11.257 4.510 -31.786 1.00 45.42 H new ATOM 0 HD3 LYS A 30 -11.912 6.063 -32.266 1.00 45.42 H new ATOM 0 HE2 LYS A 30 -10.071 6.208 -34.033 1.00 12.43 H new ATOM 0 HE3 LYS A 30 -9.616 4.567 -33.617 1.00 12.43 H new ATOM 0 HZ1 LYS A 30 -11.131 4.609 -35.488 1.00 41.31 H new ATOM 0 HZ2 LYS A 30 -11.860 3.835 -34.164 1.00 41.31 H new ATOM 0 HZ3 LYS A 30 -12.301 5.425 -34.567 1.00 41.31 H new ATOM 455 N SER A 31 -12.640 5.988 -29.076 1.00 51.34 N ATOM 456 CA SER A 31 -13.840 5.169 -29.035 1.00 3.35 C ATOM 457 C SER A 31 -14.895 5.832 -28.146 1.00 63.40 C ATOM 458 O SER A 31 -16.083 5.536 -28.262 1.00 11.32 O ATOM 459 CB SER A 31 -13.527 3.760 -28.527 1.00 51.30 C ATOM 460 OG SER A 31 -14.689 2.937 -28.488 1.00 75.32 O ATOM 0 H SER A 31 -11.911 5.710 -28.419 1.00 51.34 H new ATOM 0 HA SER A 31 -14.231 5.082 -30.049 1.00 3.35 H new ATOM 0 HB2 SER A 31 -12.778 3.300 -29.172 1.00 51.30 H new ATOM 0 HB3 SER A 31 -13.093 3.822 -27.529 1.00 51.30 H new ATOM 0 HG SER A 31 -14.448 2.046 -28.160 1.00 75.32 H new ATOM 466 N ILE A 32 -14.422 6.715 -27.279 1.00 21.21 N ATOM 467 CA ILE A 32 -15.310 7.421 -26.371 1.00 44.42 C ATOM 468 C ILE A 32 -15.549 8.838 -26.898 1.00 64.20 C ATOM 469 O ILE A 32 -16.684 9.311 -26.923 1.00 5.40 O ATOM 470 CB ILE A 32 -14.759 7.381 -24.944 1.00 75.20 C ATOM 471 CG1 ILE A 32 -13.755 6.239 -24.776 1.00 35.43 C ATOM 472 CG2 ILE A 32 -15.894 7.302 -23.921 1.00 75.30 C ATOM 473 CD1 ILE A 32 -14.390 4.894 -25.135 1.00 62.53 C ATOM 0 H ILE A 32 -13.436 6.958 -27.186 1.00 21.21 H new ATOM 0 HA ILE A 32 -16.281 6.928 -26.327 1.00 44.42 H new ATOM 0 HB ILE A 32 -14.222 8.311 -24.758 1.00 75.20 H new ATOM 0 HG12 ILE A 32 -12.887 6.417 -25.411 1.00 35.43 H new ATOM 0 HG13 ILE A 32 -13.397 6.213 -23.747 1.00 35.43 H new ATOM 0 HG21 ILE A 32 -15.476 7.275 -22.915 1.00 75.30 H new ATOM 0 HG22 ILE A 32 -16.537 8.176 -24.023 1.00 75.30 H new ATOM 0 HG23 ILE A 32 -16.479 6.399 -24.095 1.00 75.30 H new ATOM 0 HD11 ILE A 32 -13.655 4.099 -25.007 1.00 62.53 H new ATOM 0 HD12 ILE A 32 -15.243 4.708 -24.482 1.00 62.53 H new ATOM 0 HD13 ILE A 32 -14.725 4.915 -26.172 1.00 62.53 H new ATOM 485 N ARG A 33 -14.461 9.474 -27.306 1.00 43.42 N ATOM 486 CA ARG A 33 -14.538 10.827 -27.831 1.00 43.20 C ATOM 487 C ARG A 33 -14.987 11.797 -26.736 1.00 23.31 C ATOM 488 O ARG A 33 -14.173 12.255 -25.936 1.00 45.41 O ATOM 489 CB ARG A 33 -15.515 10.907 -29.006 1.00 1.44 C ATOM 490 CG ARG A 33 -14.782 10.751 -30.340 1.00 14.02 C ATOM 491 CD ARG A 33 -13.688 11.810 -30.492 1.00 32.41 C ATOM 492 NE ARG A 33 -14.161 13.107 -29.959 1.00 31.44 N ATOM 493 CZ ARG A 33 -13.347 14.067 -29.471 1.00 61.31 C ATOM 494 NH1 ARG A 33 -12.010 13.883 -29.445 1.00 63.04 N ATOM 495 NH2 ARG A 33 -13.878 15.188 -29.020 1.00 22.33 N ATOM 0 H ARG A 33 -13.521 9.078 -27.284 1.00 43.42 H new ATOM 0 HA ARG A 33 -13.543 11.104 -28.181 1.00 43.20 H new ATOM 0 HB2 ARG A 33 -16.271 10.128 -28.909 1.00 1.44 H new ATOM 0 HB3 ARG A 33 -16.038 11.863 -28.984 1.00 1.44 H new ATOM 0 HG2 ARG A 33 -14.341 9.756 -30.403 1.00 14.02 H new ATOM 0 HG3 ARG A 33 -15.493 10.837 -31.162 1.00 14.02 H new ATOM 0 HD2 ARG A 33 -12.790 11.495 -29.961 1.00 32.41 H new ATOM 0 HD3 ARG A 33 -13.417 11.916 -31.542 1.00 32.41 H new ATOM 0 HE ARG A 33 -15.165 13.287 -29.960 1.00 31.44 H new ATOM 0 HH11 ARG A 33 -11.608 13.014 -29.796 1.00 63.04 H new ATOM 0 HH12 ARG A 33 -11.402 14.613 -29.075 1.00 63.04 H new ATOM 0 HH21 ARG A 33 -14.889 15.319 -29.043 1.00 22.33 H new ATOM 0 HH22 ARG A 33 -13.277 15.923 -28.648 1.00 22.33 H new TER 508 ARG A 33