USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=5 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 1 PHE N :NH3+ -128:sc= 0.728 (180deg=0) USER MOD Set 1.2: A 11 SER OG : rot -120:sc= 0.477 USER MOD Single : A 2 ASN : amide:sc= -0.458 X(o=-0.46,f=-0.36) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.25) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -2.29! K(o=-2.3!,f=-0.78) USER MOD Single : A 21 SER OG : rot 62:sc= 0.802 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 3.320 3.610 -12.775 1.00 33.10 N ATOM 2 CA PHE A 1 3.814 3.555 -11.410 1.00 12.34 C ATOM 3 C PHE A 1 2.702 3.150 -10.440 1.00 12.21 C ATOM 4 O PHE A 1 1.539 3.050 -10.829 1.00 44.25 O ATOM 5 CB PHE A 1 4.298 4.962 -11.053 1.00 0.03 C ATOM 6 CG PHE A 1 5.772 5.029 -10.647 1.00 72.40 C ATOM 7 CD1 PHE A 1 6.348 3.978 -10.003 1.00 11.40 C ATOM 8 CD2 PHE A 1 6.506 6.138 -10.931 1.00 33.14 C ATOM 9 CE1 PHE A 1 7.716 4.040 -9.627 1.00 13.15 C ATOM 10 CE2 PHE A 1 7.873 6.200 -10.554 1.00 65.42 C ATOM 11 CZ PHE A 1 8.450 5.149 -9.910 1.00 53.51 C ATOM 0 H1 PHE A 1 3.937 3.042 -13.390 1.00 33.10 H new ATOM 0 H2 PHE A 1 2.352 3.231 -12.809 1.00 33.10 H new ATOM 0 H3 PHE A 1 3.317 4.597 -13.104 1.00 33.10 H new ATOM 0 HA PHE A 1 4.613 2.818 -11.333 1.00 12.34 H new ATOM 0 HB2 PHE A 1 4.137 5.618 -11.908 1.00 0.03 H new ATOM 0 HB3 PHE A 1 3.689 5.348 -10.236 1.00 0.03 H new ATOM 0 HD1 PHE A 1 5.765 3.097 -9.778 1.00 11.40 H new ATOM 0 HD2 PHE A 1 6.049 6.972 -11.443 1.00 33.14 H new ATOM 0 HE1 PHE A 1 8.174 3.206 -9.116 1.00 13.15 H new ATOM 0 HE2 PHE A 1 8.455 7.081 -10.778 1.00 65.42 H new ATOM 0 HZ PHE A 1 9.490 5.196 -9.624 1.00 53.51 H new ATOM 21 N ASN A 2 3.098 2.928 -9.195 1.00 71.12 N ATOM 22 CA ASN A 2 2.149 2.536 -8.167 1.00 22.13 C ATOM 23 C ASN A 2 2.563 3.161 -6.833 1.00 32.43 C ATOM 24 O ASN A 2 1.741 3.763 -6.144 1.00 33.11 O ATOM 25 CB ASN A 2 2.125 1.016 -7.990 1.00 3.41 C ATOM 26 CG ASN A 2 2.544 0.308 -9.279 1.00 61.45 C ATOM 27 OD1 ASN A 2 1.732 -0.028 -10.126 1.00 31.22 O ATOM 28 ND2 ASN A 2 3.854 0.100 -9.382 1.00 33.54 N ATOM 0 H ASN A 2 4.063 3.012 -8.875 1.00 71.12 H new ATOM 0 HA ASN A 2 1.160 2.879 -8.472 1.00 22.13 H new ATOM 0 HB2 ASN A 2 2.795 0.730 -7.179 1.00 3.41 H new ATOM 0 HB3 ASN A 2 1.123 0.695 -7.704 1.00 3.41 H new ATOM 0 HD21 ASN A 2 4.233 -0.366 -10.206 1.00 33.54 H new ATOM 0 HD22 ASN A 2 4.479 0.406 -8.637 1.00 33.54 H new ATOM 35 N ARG A 3 3.837 2.996 -6.508 1.00 73.32 N ATOM 36 CA ARG A 3 4.369 3.536 -5.269 1.00 24.00 C ATOM 37 C ARG A 3 4.954 4.930 -5.506 1.00 25.33 C ATOM 38 O ARG A 3 4.655 5.866 -4.766 1.00 44.14 O ATOM 39 CB ARG A 3 5.456 2.625 -4.693 1.00 53.41 C ATOM 40 CG ARG A 3 5.092 1.151 -4.881 1.00 52.22 C ATOM 41 CD ARG A 3 3.627 0.897 -4.519 1.00 1.42 C ATOM 42 NE ARG A 3 3.310 1.531 -3.219 1.00 63.42 N ATOM 43 CZ ARG A 3 2.336 1.105 -2.387 1.00 52.15 C ATOM 44 NH1 ARG A 3 1.573 0.040 -2.714 1.00 24.23 N ATOM 45 NH2 ARG A 3 2.139 1.746 -1.251 1.00 4.35 N ATOM 0 H ARG A 3 4.516 2.496 -7.082 1.00 73.32 H new ATOM 0 HA ARG A 3 3.548 3.599 -4.555 1.00 24.00 H new ATOM 0 HB2 ARG A 3 6.407 2.834 -5.182 1.00 53.41 H new ATOM 0 HB3 ARG A 3 5.590 2.838 -3.632 1.00 53.41 H new ATOM 0 HG2 ARG A 3 5.271 0.858 -5.915 1.00 52.22 H new ATOM 0 HG3 ARG A 3 5.737 0.531 -4.258 1.00 52.22 H new ATOM 0 HD2 ARG A 3 2.977 1.298 -5.297 1.00 1.42 H new ATOM 0 HD3 ARG A 3 3.437 -0.175 -4.466 1.00 1.42 H new ATOM 0 HE ARG A 3 3.862 2.340 -2.934 1.00 63.42 H new ATOM 0 HH11 ARG A 3 1.731 -0.449 -3.595 1.00 24.23 H new ATOM 0 HH12 ARG A 3 0.839 -0.276 -2.080 1.00 24.23 H new ATOM 0 HH21 ARG A 3 2.719 2.551 -1.012 1.00 4.35 H new ATOM 0 HH22 ARG A 3 1.407 1.437 -0.611 1.00 4.35 H new ATOM 58 N GLY A 4 5.778 5.023 -6.539 1.00 51.15 N ATOM 59 CA GLY A 4 6.408 6.287 -6.883 1.00 34.21 C ATOM 60 C GLY A 4 7.218 6.834 -5.706 1.00 35.34 C ATOM 61 O GLY A 4 7.585 8.007 -5.692 1.00 50.52 O ATOM 0 H GLY A 4 6.024 4.244 -7.149 1.00 51.15 H new ATOM 0 HA2 GLY A 4 7.060 6.149 -7.745 1.00 34.21 H new ATOM 0 HA3 GLY A 4 5.646 7.011 -7.172 1.00 34.21 H new ATOM 65 N GLY A 5 7.472 5.957 -4.746 1.00 30.34 N ATOM 66 CA GLY A 5 8.232 6.337 -3.567 1.00 34.13 C ATOM 67 C GLY A 5 9.402 5.379 -3.336 1.00 43.13 C ATOM 68 O GLY A 5 10.168 5.546 -2.388 1.00 62.13 O ATOM 0 H GLY A 5 7.165 4.984 -4.760 1.00 30.34 H new ATOM 0 HA2 GLY A 5 8.608 7.354 -3.684 1.00 34.13 H new ATOM 0 HA3 GLY A 5 7.580 6.337 -2.694 1.00 34.13 H new ATOM 72 N TYR A 6 9.504 4.397 -4.220 1.00 23.24 N ATOM 73 CA TYR A 6 10.569 3.412 -4.124 1.00 53.34 C ATOM 74 C TYR A 6 10.817 2.741 -5.477 1.00 4.12 C ATOM 75 O TYR A 6 11.957 2.657 -5.932 1.00 21.44 O ATOM 76 CB TYR A 6 10.081 2.359 -3.128 1.00 30.02 C ATOM 77 CG TYR A 6 9.095 2.896 -2.088 1.00 25.42 C ATOM 78 CD1 TYR A 6 7.836 3.304 -2.477 1.00 32.11 C ATOM 79 CD2 TYR A 6 9.466 2.971 -0.761 1.00 0.34 C ATOM 80 CE1 TYR A 6 6.908 3.809 -1.498 1.00 62.01 C ATOM 81 CE2 TYR A 6 8.538 3.476 0.218 1.00 4.43 C ATOM 82 CZ TYR A 6 7.305 3.870 -0.199 1.00 3.22 C ATOM 83 OH TYR A 6 6.429 4.347 0.726 1.00 43.24 O ATOM 0 H TYR A 6 8.867 4.262 -5.005 1.00 23.24 H new ATOM 0 HA TYR A 6 11.501 3.883 -3.811 1.00 53.34 H new ATOM 0 HB2 TYR A 6 9.607 1.546 -3.678 1.00 30.02 H new ATOM 0 HB3 TYR A 6 10.942 1.935 -2.612 1.00 30.02 H new ATOM 0 HD1 TYR A 6 7.546 3.245 -3.516 1.00 32.11 H new ATOM 0 HD2 TYR A 6 10.452 2.651 -0.457 1.00 0.34 H new ATOM 0 HE1 TYR A 6 5.919 4.132 -1.789 1.00 62.01 H new ATOM 0 HE2 TYR A 6 8.815 3.540 1.260 1.00 4.43 H new ATOM 0 HH TYR A 6 6.848 4.332 1.612 1.00 43.24 H new ATOM 93 N ASN A 7 9.732 2.281 -6.081 1.00 40.15 N ATOM 94 CA ASN A 7 9.818 1.620 -7.373 1.00 0.04 C ATOM 95 C ASN A 7 10.388 2.596 -8.404 1.00 13.44 C ATOM 96 O ASN A 7 10.401 3.805 -8.178 1.00 4.44 O ATOM 97 CB ASN A 7 8.437 1.174 -7.856 1.00 53.43 C ATOM 98 CG ASN A 7 8.056 -0.181 -7.256 1.00 45.33 C ATOM 99 OD1 ASN A 7 7.416 -1.008 -7.883 1.00 73.40 O ATOM 100 ND2 ASN A 7 8.486 -0.360 -6.010 1.00 72.34 N ATOM 0 H ASN A 7 8.788 2.353 -5.700 1.00 40.15 H new ATOM 0 HA ASN A 7 10.461 0.747 -7.263 1.00 0.04 H new ATOM 0 HB2 ASN A 7 7.693 1.920 -7.579 1.00 53.43 H new ATOM 0 HB3 ASN A 7 8.432 1.108 -8.944 1.00 53.43 H new ATOM 0 HD21 ASN A 7 8.284 -1.232 -5.521 1.00 72.34 H new ATOM 0 HD22 ASN A 7 9.018 0.375 -5.543 1.00 72.34 H new ATOM 107 N PHE A 8 10.844 2.035 -9.514 1.00 0.33 N ATOM 108 CA PHE A 8 11.413 2.841 -10.580 1.00 44.43 C ATOM 109 C PHE A 8 12.189 1.971 -11.571 1.00 74.24 C ATOM 110 O PHE A 8 13.269 2.349 -12.023 1.00 34.15 O ATOM 111 CB PHE A 8 12.379 3.832 -9.926 1.00 32.51 C ATOM 112 CG PHE A 8 13.125 3.266 -8.716 1.00 31.32 C ATOM 113 CD1 PHE A 8 13.362 1.929 -8.627 1.00 14.43 C ATOM 114 CD2 PHE A 8 13.551 4.099 -7.729 1.00 43.12 C ATOM 115 CE1 PHE A 8 14.054 1.404 -7.504 1.00 10.43 C ATOM 116 CE2 PHE A 8 14.244 3.574 -6.606 1.00 74.01 C ATOM 117 CZ PHE A 8 14.480 2.238 -6.517 1.00 63.41 C ATOM 0 H PHE A 8 10.831 1.032 -9.698 1.00 0.33 H new ATOM 0 HA PHE A 8 10.618 3.348 -11.127 1.00 44.43 H new ATOM 0 HB2 PHE A 8 13.107 4.158 -10.669 1.00 32.51 H new ATOM 0 HB3 PHE A 8 11.822 4.716 -9.616 1.00 32.51 H new ATOM 0 HD1 PHE A 8 13.024 1.267 -9.411 1.00 14.43 H new ATOM 0 HD2 PHE A 8 13.362 5.160 -7.799 1.00 43.12 H new ATOM 0 HE1 PHE A 8 14.242 0.343 -7.433 1.00 10.43 H new ATOM 0 HE2 PHE A 8 14.583 4.236 -5.823 1.00 74.01 H new ATOM 0 HZ PHE A 8 15.006 1.839 -5.662 1.00 63.41 H new ATOM 127 N GLY A 9 11.607 0.821 -11.881 1.00 51.41 N ATOM 128 CA GLY A 9 12.230 -0.106 -12.811 1.00 15.15 C ATOM 129 C GLY A 9 11.202 -1.088 -13.376 1.00 71.31 C ATOM 130 O GLY A 9 11.107 -1.263 -14.590 1.00 3.20 O ATOM 0 H GLY A 9 10.711 0.510 -11.505 1.00 51.41 H new ATOM 0 HA2 GLY A 9 12.695 0.448 -13.626 1.00 15.15 H new ATOM 0 HA3 GLY A 9 13.024 -0.656 -12.305 1.00 15.15 H new ATOM 134 N LYS A 10 10.458 -1.704 -12.469 1.00 71.21 N ATOM 135 CA LYS A 10 9.441 -2.664 -12.862 1.00 73.54 C ATOM 136 C LYS A 10 8.335 -1.942 -13.634 1.00 73.01 C ATOM 137 O LYS A 10 8.013 -2.316 -14.761 1.00 35.44 O ATOM 138 CB LYS A 10 8.935 -3.439 -11.643 1.00 42.15 C ATOM 139 CG LYS A 10 10.048 -3.619 -10.609 1.00 34.54 C ATOM 140 CD LYS A 10 9.802 -2.740 -9.381 1.00 21.44 C ATOM 141 CE LYS A 10 11.083 -2.018 -8.959 1.00 11.42 C ATOM 142 NZ LYS A 10 12.000 -2.950 -8.266 1.00 60.11 N ATOM 0 H LYS A 10 10.539 -1.557 -11.463 1.00 71.21 H new ATOM 0 HA LYS A 10 9.863 -3.412 -13.533 1.00 73.54 H new ATOM 0 HB2 LYS A 10 8.097 -2.908 -11.192 1.00 42.15 H new ATOM 0 HB3 LYS A 10 8.563 -4.415 -11.956 1.00 42.15 H new ATOM 0 HG2 LYS A 10 10.103 -4.665 -10.307 1.00 34.54 H new ATOM 0 HG3 LYS A 10 11.009 -3.365 -11.056 1.00 34.54 H new ATOM 0 HD2 LYS A 10 9.024 -2.009 -9.602 1.00 21.44 H new ATOM 0 HD3 LYS A 10 9.438 -3.354 -8.557 1.00 21.44 H new ATOM 0 HE2 LYS A 10 11.576 -1.598 -9.836 1.00 11.42 H new ATOM 0 HE3 LYS A 10 10.837 -1.184 -8.301 1.00 11.42 H new ATOM 0 HZ1 LYS A 10 12.864 -2.443 -7.987 1.00 60.11 H new ATOM 0 HZ2 LYS A 10 11.533 -3.331 -7.419 1.00 60.11 H new ATOM 0 HZ3 LYS A 10 12.249 -3.732 -8.905 1.00 60.11 H new ATOM 155 N SER A 11 7.783 -0.920 -12.997 1.00 5.51 N ATOM 156 CA SER A 11 6.720 -0.141 -13.609 1.00 63.25 C ATOM 157 C SER A 11 7.164 0.358 -14.986 1.00 53.11 C ATOM 158 O SER A 11 6.348 0.481 -15.898 1.00 52.13 O ATOM 159 CB SER A 11 6.319 1.038 -12.721 1.00 70.11 C ATOM 160 OG SER A 11 5.443 1.939 -13.393 1.00 74.41 O ATOM 0 H SER A 11 8.052 -0.613 -12.062 1.00 5.51 H new ATOM 0 HA SER A 11 5.848 -0.785 -13.726 1.00 63.25 H new ATOM 0 HB2 SER A 11 5.833 0.664 -11.820 1.00 70.11 H new ATOM 0 HB3 SER A 11 7.214 1.572 -12.402 1.00 70.11 H new ATOM 0 HG SER A 11 5.856 2.827 -13.434 1.00 74.41 H new ATOM 166 N VAL A 12 8.456 0.632 -15.093 1.00 15.33 N ATOM 167 CA VAL A 12 9.017 1.116 -16.343 1.00 24.54 C ATOM 168 C VAL A 12 8.843 0.046 -17.422 1.00 63.43 C ATOM 169 O VAL A 12 8.643 0.367 -18.593 1.00 23.52 O ATOM 170 CB VAL A 12 10.477 1.525 -16.137 1.00 21.05 C ATOM 171 CG1 VAL A 12 11.261 1.439 -17.448 1.00 11.33 C ATOM 172 CG2 VAL A 12 10.573 2.927 -15.531 1.00 20.32 C ATOM 0 H VAL A 12 9.130 0.528 -14.335 1.00 15.33 H new ATOM 0 HA VAL A 12 8.488 2.007 -16.680 1.00 24.54 H new ATOM 0 HB VAL A 12 10.925 0.824 -15.433 1.00 21.05 H new ATOM 0 HG11 VAL A 12 12.295 1.735 -17.273 1.00 11.33 H new ATOM 0 HG12 VAL A 12 11.235 0.415 -17.821 1.00 11.33 H new ATOM 0 HG13 VAL A 12 10.812 2.105 -18.185 1.00 11.33 H new ATOM 0 HG21 VAL A 12 11.621 3.194 -15.395 1.00 20.32 H new ATOM 0 HG22 VAL A 12 10.100 3.646 -16.200 1.00 20.32 H new ATOM 0 HG23 VAL A 12 10.067 2.942 -14.566 1.00 20.32 H new ATOM 182 N ARG A 13 8.926 -1.204 -16.990 1.00 73.35 N ATOM 183 CA ARG A 13 8.780 -2.323 -17.906 1.00 32.44 C ATOM 184 C ARG A 13 7.342 -2.402 -18.423 1.00 30.32 C ATOM 185 O ARG A 13 7.111 -2.784 -19.569 1.00 31.51 O ATOM 186 CB ARG A 13 9.142 -3.644 -17.223 1.00 41.10 C ATOM 187 CG ARG A 13 10.532 -3.569 -16.588 1.00 30.43 C ATOM 188 CD ARG A 13 11.498 -2.781 -17.474 1.00 3.32 C ATOM 189 NE ARG A 13 11.500 -3.340 -18.844 1.00 14.10 N ATOM 190 CZ ARG A 13 12.018 -4.543 -19.170 1.00 42.10 C ATOM 191 NH1 ARG A 13 12.583 -5.324 -18.225 1.00 72.51 N ATOM 192 NH2 ARG A 13 11.965 -4.943 -20.427 1.00 21.43 N ATOM 0 H ARG A 13 9.092 -1.467 -16.019 1.00 73.35 H new ATOM 0 HA ARG A 13 9.461 -2.159 -18.741 1.00 32.44 H new ATOM 0 HB2 ARG A 13 8.401 -3.877 -16.458 1.00 41.10 H new ATOM 0 HB3 ARG A 13 9.114 -4.454 -17.952 1.00 41.10 H new ATOM 0 HG2 ARG A 13 10.463 -3.096 -15.609 1.00 30.43 H new ATOM 0 HG3 ARG A 13 10.918 -4.576 -16.429 1.00 30.43 H new ATOM 0 HD2 ARG A 13 11.205 -1.731 -17.501 1.00 3.32 H new ATOM 0 HD3 ARG A 13 12.503 -2.821 -17.055 1.00 3.32 H new ATOM 0 HE ARG A 13 11.084 -2.781 -19.589 1.00 14.10 H new ATOM 0 HH11 ARG A 13 12.621 -5.006 -17.256 1.00 72.51 H new ATOM 0 HH12 ARG A 13 12.972 -6.232 -18.479 1.00 72.51 H new ATOM 0 HH21 ARG A 13 11.537 -4.346 -21.135 1.00 21.43 H new ATOM 0 HH22 ARG A 13 12.352 -5.849 -20.691 1.00 21.43 H new ATOM 205 N HIS A 14 6.413 -2.035 -17.553 1.00 10.43 N ATOM 206 CA HIS A 14 5.004 -2.059 -17.907 1.00 40.11 C ATOM 207 C HIS A 14 4.680 -0.863 -18.804 1.00 51.24 C ATOM 208 O HIS A 14 3.964 -1.001 -19.795 1.00 65.24 O ATOM 209 CB HIS A 14 4.129 -2.114 -16.653 1.00 43.41 C ATOM 210 CG HIS A 14 2.806 -1.401 -16.796 1.00 13.30 C ATOM 211 ND1 HIS A 14 1.589 -2.053 -16.700 1.00 52.33 N ATOM 212 CD2 HIS A 14 2.522 -0.087 -17.027 1.00 54.21 C ATOM 213 CE1 HIS A 14 0.623 -1.162 -16.869 1.00 14.01 C ATOM 214 NE2 HIS A 14 1.203 0.056 -17.072 1.00 33.32 N ATOM 0 H HIS A 14 6.609 -1.719 -16.603 1.00 10.43 H new ATOM 0 HA HIS A 14 4.783 -2.964 -18.473 1.00 40.11 H new ATOM 0 HB2 HIS A 14 3.942 -3.157 -16.398 1.00 43.41 H new ATOM 0 HB3 HIS A 14 4.678 -1.676 -15.820 1.00 43.41 H new ATOM 0 HD2 HIS A 14 3.247 0.703 -17.152 1.00 54.21 H new ATOM 0 HE1 HIS A 14 -0.438 -1.364 -16.849 1.00 14.01 H new ATOM 0 HE2 HIS A 14 0.705 0.932 -17.232 1.00 33.32 H new ATOM 222 N VAL A 15 5.222 0.285 -18.425 1.00 20.03 N ATOM 223 CA VAL A 15 5.000 1.505 -19.183 1.00 34.35 C ATOM 224 C VAL A 15 5.695 1.390 -20.541 1.00 13.03 C ATOM 225 O VAL A 15 5.196 1.900 -21.542 1.00 53.54 O ATOM 226 CB VAL A 15 5.466 2.716 -18.373 1.00 12.23 C ATOM 227 CG1 VAL A 15 6.910 3.083 -18.718 1.00 5.23 C ATOM 228 CG2 VAL A 15 4.531 3.909 -18.584 1.00 5.21 C ATOM 0 H VAL A 15 5.815 0.396 -17.602 1.00 20.03 H new ATOM 0 HA VAL A 15 3.936 1.648 -19.374 1.00 34.35 H new ATOM 0 HB VAL A 15 5.432 2.447 -17.317 1.00 12.23 H new ATOM 0 HG11 VAL A 15 7.217 3.947 -18.128 1.00 5.23 H new ATOM 0 HG12 VAL A 15 7.563 2.240 -18.493 1.00 5.23 H new ATOM 0 HG13 VAL A 15 6.981 3.324 -19.779 1.00 5.23 H new ATOM 0 HG21 VAL A 15 4.885 4.757 -17.997 1.00 5.21 H new ATOM 0 HG22 VAL A 15 4.518 4.179 -19.640 1.00 5.21 H new ATOM 0 HG23 VAL A 15 3.523 3.642 -18.265 1.00 5.21 H new ATOM 238 N VAL A 16 6.836 0.717 -20.531 1.00 33.33 N ATOM 239 CA VAL A 16 7.604 0.529 -21.749 1.00 64.53 C ATOM 240 C VAL A 16 6.710 -0.101 -22.819 1.00 51.43 C ATOM 241 O VAL A 16 6.756 0.295 -23.983 1.00 51.11 O ATOM 242 CB VAL A 16 8.857 -0.299 -21.455 1.00 62.12 C ATOM 243 CG1 VAL A 16 9.356 -1.005 -22.717 1.00 65.33 C ATOM 244 CG2 VAL A 16 9.957 0.570 -20.842 1.00 12.03 C ATOM 0 H VAL A 16 7.247 0.295 -19.698 1.00 33.33 H new ATOM 0 HA VAL A 16 7.947 1.489 -22.135 1.00 64.53 H new ATOM 0 HB VAL A 16 8.589 -1.064 -20.726 1.00 62.12 H new ATOM 0 HG11 VAL A 16 10.247 -1.586 -22.480 1.00 65.33 H new ATOM 0 HG12 VAL A 16 8.579 -1.670 -23.094 1.00 65.33 H new ATOM 0 HG13 VAL A 16 9.598 -0.263 -23.477 1.00 65.33 H new ATOM 0 HG21 VAL A 16 10.836 -0.043 -20.643 1.00 12.03 H new ATOM 0 HG22 VAL A 16 10.220 1.367 -21.537 1.00 12.03 H new ATOM 0 HG23 VAL A 16 9.599 1.005 -19.909 1.00 12.03 H new ATOM 254 N ASP A 17 5.917 -1.070 -22.387 1.00 51.11 N ATOM 255 CA ASP A 17 5.013 -1.758 -23.294 1.00 1.35 C ATOM 256 C ASP A 17 3.849 -0.830 -23.648 1.00 45.30 C ATOM 257 O ASP A 17 3.231 -0.978 -24.701 1.00 45.42 O ATOM 258 CB ASP A 17 4.434 -3.016 -22.644 1.00 15.20 C ATOM 259 CG ASP A 17 4.002 -4.109 -23.623 1.00 64.24 C ATOM 260 OD1 ASP A 17 3.525 -5.179 -23.217 1.00 12.23 O ATOM 261 OD2 ASP A 17 4.176 -3.824 -24.870 1.00 22.35 O ATOM 0 H ASP A 17 5.881 -1.395 -21.421 1.00 51.11 H new ATOM 0 HA ASP A 17 5.576 -2.038 -24.184 1.00 1.35 H new ATOM 0 HB2 ASP A 17 5.178 -3.431 -21.965 1.00 15.20 H new ATOM 0 HB3 ASP A 17 3.574 -2.731 -22.038 1.00 15.20 H new ATOM 267 N ALA A 18 3.586 0.107 -22.748 1.00 71.44 N ATOM 268 CA ALA A 18 2.507 1.059 -22.953 1.00 24.41 C ATOM 269 C ALA A 18 2.850 1.965 -24.137 1.00 64.41 C ATOM 270 O ALA A 18 1.958 2.448 -24.832 1.00 63.14 O ATOM 271 CB ALA A 18 2.272 1.848 -21.664 1.00 12.12 C ATOM 0 H ALA A 18 4.101 0.227 -21.876 1.00 71.44 H new ATOM 0 HA ALA A 18 1.578 0.541 -23.193 1.00 24.41 H new ATOM 0 HB1 ALA A 18 1.463 2.562 -21.817 1.00 12.12 H new ATOM 0 HB2 ALA A 18 2.003 1.162 -20.861 1.00 12.12 H new ATOM 0 HB3 ALA A 18 3.182 2.383 -21.394 1.00 12.12 H new ATOM 277 N ILE A 19 4.145 2.167 -24.330 1.00 44.52 N ATOM 278 CA ILE A 19 4.617 3.007 -25.418 1.00 64.13 C ATOM 279 C ILE A 19 4.125 2.434 -26.749 1.00 1.31 C ATOM 280 O ILE A 19 3.921 3.175 -27.710 1.00 33.43 O ATOM 281 CB ILE A 19 6.136 3.175 -25.345 1.00 64.23 C ATOM 282 CG1 ILE A 19 6.569 3.660 -23.960 1.00 75.10 C ATOM 283 CG2 ILE A 19 6.640 4.096 -26.458 1.00 42.02 C ATOM 284 CD1 ILE A 19 5.597 4.711 -23.419 1.00 70.04 C ATOM 0 H ILE A 19 4.882 1.764 -23.752 1.00 44.52 H new ATOM 0 HA ILE A 19 4.204 4.012 -25.330 1.00 64.13 H new ATOM 0 HB ILE A 19 6.595 2.199 -25.502 1.00 64.23 H new ATOM 0 HG12 ILE A 19 6.616 2.815 -23.273 1.00 75.10 H new ATOM 0 HG13 ILE A 19 7.573 4.082 -24.016 1.00 75.10 H new ATOM 0 HG21 ILE A 19 7.723 4.198 -26.383 1.00 42.02 H new ATOM 0 HG22 ILE A 19 6.382 3.670 -27.428 1.00 42.02 H new ATOM 0 HG23 ILE A 19 6.175 5.077 -26.357 1.00 42.02 H new ATOM 0 HD11 ILE A 19 5.927 5.039 -22.434 1.00 70.04 H new ATOM 0 HD12 ILE A 19 5.571 5.565 -24.096 1.00 70.04 H new ATOM 0 HD13 ILE A 19 4.599 4.278 -23.342 1.00 70.04 H new ATOM 296 N GLY A 20 3.949 1.121 -26.762 1.00 40.24 N ATOM 297 CA GLY A 20 3.485 0.441 -27.959 1.00 74.33 C ATOM 298 C GLY A 20 2.002 0.081 -27.845 1.00 53.54 C ATOM 299 O GLY A 20 1.353 -0.218 -28.847 1.00 22.23 O ATOM 0 H GLY A 20 4.119 0.510 -25.963 1.00 40.24 H new ATOM 0 HA2 GLY A 20 3.642 1.079 -28.828 1.00 74.33 H new ATOM 0 HA3 GLY A 20 4.071 -0.464 -28.118 1.00 74.33 H new ATOM 303 N SER A 21 1.508 0.123 -26.617 1.00 2.45 N ATOM 304 CA SER A 21 0.114 -0.194 -26.359 1.00 11.13 C ATOM 305 C SER A 21 -0.743 1.067 -26.492 1.00 21.24 C ATOM 306 O SER A 21 -1.970 0.993 -26.468 1.00 75.34 O ATOM 307 CB SER A 21 -0.063 -0.812 -24.970 1.00 43.32 C ATOM 308 OG SER A 21 0.944 -1.779 -24.685 1.00 33.44 O ATOM 0 H SER A 21 2.049 0.372 -25.789 1.00 2.45 H new ATOM 0 HA SER A 21 -0.212 -0.927 -27.097 1.00 11.13 H new ATOM 0 HB2 SER A 21 -0.034 -0.025 -24.216 1.00 43.32 H new ATOM 0 HB3 SER A 21 -1.045 -1.280 -24.904 1.00 43.32 H new ATOM 0 HG SER A 21 1.823 -1.346 -24.687 1.00 33.44 H new ATOM 314 N VAL A 22 -0.062 2.195 -26.628 1.00 64.10 N ATOM 315 CA VAL A 22 -0.745 3.470 -26.765 1.00 21.13 C ATOM 316 C VAL A 22 -1.663 3.423 -27.988 1.00 1.23 C ATOM 317 O VAL A 22 -2.722 4.049 -27.998 1.00 44.40 O ATOM 318 CB VAL A 22 0.277 4.607 -26.827 1.00 52.12 C ATOM 319 CG1 VAL A 22 -0.375 5.904 -27.312 1.00 61.41 C ATOM 320 CG2 VAL A 22 0.956 4.809 -25.471 1.00 65.44 C ATOM 0 H VAL A 22 0.956 2.253 -26.646 1.00 64.10 H new ATOM 0 HA VAL A 22 -1.373 3.663 -25.895 1.00 21.13 H new ATOM 0 HB VAL A 22 1.045 4.328 -27.548 1.00 52.12 H new ATOM 0 HG11 VAL A 22 0.373 6.696 -27.347 1.00 61.41 H new ATOM 0 HG12 VAL A 22 -0.790 5.752 -28.309 1.00 61.41 H new ATOM 0 HG13 VAL A 22 -1.173 6.189 -26.626 1.00 61.41 H new ATOM 0 HG21 VAL A 22 1.678 5.623 -25.543 1.00 65.44 H new ATOM 0 HG22 VAL A 22 0.205 5.056 -24.721 1.00 65.44 H new ATOM 0 HG23 VAL A 22 1.470 3.893 -25.182 1.00 65.44 H new ATOM 330 N ALA A 23 -1.224 2.675 -28.989 1.00 61.11 N ATOM 331 CA ALA A 23 -1.993 2.538 -30.214 1.00 40.23 C ATOM 332 C ALA A 23 -3.213 1.654 -29.950 1.00 31.15 C ATOM 333 O ALA A 23 -4.167 1.657 -30.726 1.00 63.14 O ATOM 334 CB ALA A 23 -1.096 1.978 -31.320 1.00 52.43 C ATOM 0 H ALA A 23 -0.345 2.157 -28.977 1.00 61.11 H new ATOM 0 HA ALA A 23 -2.356 3.509 -30.549 1.00 40.23 H new ATOM 0 HB1 ALA A 23 -1.673 1.875 -32.239 1.00 52.43 H new ATOM 0 HB2 ALA A 23 -0.261 2.657 -31.490 1.00 52.43 H new ATOM 0 HB3 ALA A 23 -0.715 1.002 -31.020 1.00 52.43 H new ATOM 340 N GLY A 24 -3.143 0.918 -28.850 1.00 13.00 N ATOM 341 CA GLY A 24 -4.230 0.031 -28.473 1.00 34.30 C ATOM 342 C GLY A 24 -4.948 0.543 -27.223 1.00 11.23 C ATOM 343 O GLY A 24 -5.688 -0.199 -26.579 1.00 22.41 O ATOM 0 H GLY A 24 -2.350 0.918 -28.208 1.00 13.00 H new ATOM 0 HA2 GLY A 24 -4.940 -0.051 -29.296 1.00 34.30 H new ATOM 0 HA3 GLY A 24 -3.840 -0.970 -28.288 1.00 34.30 H new ATOM 347 N ILE A 25 -4.704 1.809 -26.916 1.00 74.15 N ATOM 348 CA ILE A 25 -5.318 2.429 -25.755 1.00 12.43 C ATOM 349 C ILE A 25 -5.637 3.892 -26.072 1.00 21.13 C ATOM 350 O ILE A 25 -6.793 4.307 -26.007 1.00 40.10 O ATOM 351 CB ILE A 25 -4.434 2.246 -24.520 1.00 2.54 C ATOM 352 CG1 ILE A 25 -4.579 0.836 -23.945 1.00 72.22 C ATOM 353 CG2 ILE A 25 -4.724 3.324 -23.473 1.00 41.21 C ATOM 354 CD1 ILE A 25 -3.321 0.006 -24.205 1.00 24.40 C ATOM 0 H ILE A 25 -4.089 2.422 -27.452 1.00 74.15 H new ATOM 0 HA ILE A 25 -6.263 1.941 -25.517 1.00 12.43 H new ATOM 0 HB ILE A 25 -3.394 2.364 -24.825 1.00 2.54 H new ATOM 0 HG12 ILE A 25 -4.765 0.894 -22.873 1.00 72.22 H new ATOM 0 HG13 ILE A 25 -5.443 0.344 -24.392 1.00 72.22 H new ATOM 0 HG21 ILE A 25 -4.082 3.171 -22.605 1.00 41.21 H new ATOM 0 HG22 ILE A 25 -4.528 4.308 -23.900 1.00 41.21 H new ATOM 0 HG23 ILE A 25 -5.768 3.262 -23.167 1.00 41.21 H new ATOM 0 HD11 ILE A 25 -3.450 -0.992 -23.786 1.00 24.40 H new ATOM 0 HD12 ILE A 25 -3.151 -0.071 -25.279 1.00 24.40 H new ATOM 0 HD13 ILE A 25 -2.464 0.488 -23.736 1.00 24.40 H new ATOM 366 N ARG A 26 -4.591 4.633 -26.408 1.00 32.24 N ATOM 367 CA ARG A 26 -4.745 6.040 -26.735 1.00 11.12 C ATOM 368 C ARG A 26 -5.463 6.198 -28.077 1.00 32.44 C ATOM 369 O ARG A 26 -6.291 7.092 -28.240 1.00 51.44 O ATOM 370 CB ARG A 26 -3.387 6.741 -26.806 1.00 21.24 C ATOM 371 CG ARG A 26 -3.551 8.219 -27.166 1.00 23.13 C ATOM 372 CD ARG A 26 -3.182 8.471 -28.629 1.00 73.33 C ATOM 373 NE ARG A 26 -2.512 9.783 -28.764 1.00 15.51 N ATOM 374 CZ ARG A 26 -3.160 10.968 -28.759 1.00 75.25 C ATOM 375 NH1 ARG A 26 -4.503 11.014 -28.627 1.00 32.32 N ATOM 376 NH2 ARG A 26 -2.461 12.080 -28.887 1.00 15.31 N ATOM 0 H ARG A 26 -3.634 4.285 -26.461 1.00 32.24 H new ATOM 0 HA ARG A 26 -5.338 6.501 -25.945 1.00 11.12 H new ATOM 0 HB2 ARG A 26 -2.877 6.651 -25.847 1.00 21.24 H new ATOM 0 HB3 ARG A 26 -2.759 6.250 -27.549 1.00 21.24 H new ATOM 0 HG2 ARG A 26 -4.581 8.528 -26.989 1.00 23.13 H new ATOM 0 HG3 ARG A 26 -2.920 8.827 -26.518 1.00 23.13 H new ATOM 0 HD2 ARG A 26 -2.525 7.679 -28.988 1.00 73.33 H new ATOM 0 HD3 ARG A 26 -4.079 8.446 -29.248 1.00 73.33 H new ATOM 0 HE ARG A 26 -1.497 9.793 -28.867 1.00 15.51 H new ATOM 0 HH11 ARG A 26 -5.036 10.150 -28.530 1.00 32.32 H new ATOM 0 HH12 ARG A 26 -4.985 11.913 -28.624 1.00 32.32 H new ATOM 0 HH21 ARG A 26 -1.447 12.036 -28.988 1.00 15.31 H new ATOM 0 HH22 ARG A 26 -2.935 12.983 -28.885 1.00 15.31 H new ATOM 389 N GLY A 27 -5.120 5.314 -29.002 1.00 41.25 N ATOM 390 CA GLY A 27 -5.721 5.344 -30.325 1.00 34.01 C ATOM 391 C GLY A 27 -7.196 4.940 -30.266 1.00 20.13 C ATOM 392 O GLY A 27 -8.038 5.553 -30.919 1.00 51.55 O ATOM 0 H GLY A 27 -4.434 4.573 -28.862 1.00 41.25 H new ATOM 0 HA2 GLY A 27 -5.631 6.345 -30.747 1.00 34.01 H new ATOM 0 HA3 GLY A 27 -5.181 4.669 -30.989 1.00 34.01 H new ATOM 396 N ILE A 28 -7.463 3.910 -29.476 1.00 11.20 N ATOM 397 CA ILE A 28 -8.821 3.417 -29.323 1.00 13.00 C ATOM 398 C ILE A 28 -9.592 4.342 -28.379 1.00 41.30 C ATOM 399 O ILE A 28 -10.821 4.313 -28.341 1.00 70.35 O ATOM 400 CB ILE A 28 -8.813 1.953 -28.878 1.00 1.20 C ATOM 401 CG1 ILE A 28 -8.709 1.844 -27.355 1.00 73.54 C ATOM 402 CG2 ILE A 28 -7.704 1.171 -29.586 1.00 12.53 C ATOM 403 CD1 ILE A 28 -10.060 1.475 -26.739 1.00 54.01 C ATOM 0 H ILE A 28 -6.762 3.404 -28.935 1.00 11.20 H new ATOM 0 HA ILE A 28 -9.341 3.432 -30.281 1.00 13.00 H new ATOM 0 HB ILE A 28 -9.761 1.502 -29.169 1.00 1.20 H new ATOM 0 HG12 ILE A 28 -7.967 1.091 -27.090 1.00 73.54 H new ATOM 0 HG13 ILE A 28 -8.363 2.791 -26.942 1.00 73.54 H new ATOM 0 HG21 ILE A 28 -7.720 0.134 -29.252 1.00 12.53 H new ATOM 0 HG22 ILE A 28 -7.864 1.208 -30.664 1.00 12.53 H new ATOM 0 HG23 ILE A 28 -6.737 1.614 -29.347 1.00 12.53 H new ATOM 0 HD11 ILE A 28 -9.959 1.404 -25.656 1.00 54.01 H new ATOM 0 HD12 ILE A 28 -10.794 2.242 -26.985 1.00 54.01 H new ATOM 0 HD13 ILE A 28 -10.391 0.516 -27.136 1.00 54.01 H new ATOM 415 N LEU A 29 -8.838 5.142 -27.640 1.00 4.23 N ATOM 416 CA LEU A 29 -9.434 6.074 -26.698 1.00 53.44 C ATOM 417 C LEU A 29 -10.342 7.046 -27.455 1.00 44.44 C ATOM 418 O LEU A 29 -11.342 7.515 -26.916 1.00 15.33 O ATOM 419 CB LEU A 29 -8.350 6.765 -25.868 1.00 74.11 C ATOM 420 CG LEU A 29 -8.532 8.267 -25.644 1.00 53.51 C ATOM 421 CD1 LEU A 29 -8.410 9.037 -26.961 1.00 35.31 C ATOM 422 CD2 LEU A 29 -9.854 8.559 -24.930 1.00 5.41 C ATOM 0 H LEU A 29 -7.819 5.164 -27.674 1.00 4.23 H new ATOM 0 HA LEU A 29 -10.061 5.543 -25.982 1.00 53.44 H new ATOM 0 HB2 LEU A 29 -8.299 6.276 -24.895 1.00 74.11 H new ATOM 0 HB3 LEU A 29 -7.389 6.605 -26.356 1.00 74.11 H new ATOM 0 HG LEU A 29 -7.730 8.614 -24.992 1.00 53.51 H new ATOM 0 HD11 LEU A 29 -8.543 10.102 -26.773 1.00 35.31 H new ATOM 0 HD12 LEU A 29 -7.424 8.865 -27.393 1.00 35.31 H new ATOM 0 HD13 LEU A 29 -9.176 8.692 -27.656 1.00 35.31 H new ATOM 0 HD21 LEU A 29 -9.958 9.634 -24.783 1.00 5.41 H new ATOM 0 HD22 LEU A 29 -10.683 8.193 -25.536 1.00 5.41 H new ATOM 0 HD23 LEU A 29 -9.863 8.058 -23.962 1.00 5.41 H new ATOM 434 N LYS A 30 -9.959 7.320 -28.694 1.00 51.10 N ATOM 435 CA LYS A 30 -10.726 8.228 -29.531 1.00 24.33 C ATOM 436 C LYS A 30 -12.098 7.615 -29.816 1.00 72.11 C ATOM 437 O LYS A 30 -12.993 8.294 -30.318 1.00 63.32 O ATOM 438 CB LYS A 30 -9.938 8.587 -30.792 1.00 53.33 C ATOM 439 CG LYS A 30 -9.834 7.386 -31.735 1.00 14.42 C ATOM 440 CD LYS A 30 -10.855 7.490 -32.870 1.00 14.14 C ATOM 441 CE LYS A 30 -10.179 7.897 -34.180 1.00 62.53 C ATOM 442 NZ LYS A 30 -10.842 7.242 -35.330 1.00 63.03 N ATOM 0 H LYS A 30 -9.128 6.929 -29.138 1.00 51.10 H new ATOM 0 HA LYS A 30 -10.900 9.171 -29.012 1.00 24.33 H new ATOM 0 HB2 LYS A 30 -10.425 9.416 -31.306 1.00 53.33 H new ATOM 0 HB3 LYS A 30 -8.939 8.925 -30.517 1.00 53.33 H new ATOM 0 HG2 LYS A 30 -8.828 7.331 -32.150 1.00 14.42 H new ATOM 0 HG3 LYS A 30 -9.999 6.465 -31.176 1.00 14.42 H new ATOM 0 HD2 LYS A 30 -11.359 6.532 -32.999 1.00 14.14 H new ATOM 0 HD3 LYS A 30 -11.621 8.221 -32.609 1.00 14.14 H new ATOM 0 HE2 LYS A 30 -10.221 8.980 -34.297 1.00 62.53 H new ATOM 0 HE3 LYS A 30 -9.125 7.620 -34.154 1.00 62.53 H new ATOM 0 HZ1 LYS A 30 -10.371 7.529 -36.212 1.00 63.03 H new ATOM 0 HZ2 LYS A 30 -10.780 6.209 -35.224 1.00 63.03 H new ATOM 0 HZ3 LYS A 30 -11.842 7.527 -35.363 1.00 63.03 H new ATOM 455 N SER A 31 -12.222 6.338 -29.484 1.00 5.43 N ATOM 456 CA SER A 31 -13.470 5.626 -29.698 1.00 40.50 C ATOM 457 C SER A 31 -14.267 5.563 -28.393 1.00 64.33 C ATOM 458 O SER A 31 -15.438 5.187 -28.395 1.00 22.14 O ATOM 459 CB SER A 31 -13.215 4.216 -30.234 1.00 1.34 C ATOM 460 OG SER A 31 -14.080 3.893 -31.319 1.00 31.33 O ATOM 0 H SER A 31 -11.478 5.778 -29.068 1.00 5.43 H new ATOM 0 HA SER A 31 -14.050 6.169 -30.444 1.00 40.50 H new ATOM 0 HB2 SER A 31 -12.178 4.134 -30.560 1.00 1.34 H new ATOM 0 HB3 SER A 31 -13.355 3.492 -29.431 1.00 1.34 H new ATOM 0 HG SER A 31 -13.885 2.986 -31.634 1.00 31.33 H new ATOM 466 N ILE A 32 -13.599 5.936 -27.311 1.00 73.41 N ATOM 467 CA ILE A 32 -14.230 5.925 -26.002 1.00 53.53 C ATOM 468 C ILE A 32 -14.675 7.345 -25.644 1.00 45.01 C ATOM 469 O ILE A 32 -15.752 7.539 -25.084 1.00 53.31 O ATOM 470 CB ILE A 32 -13.302 5.291 -24.965 1.00 3.43 C ATOM 471 CG1 ILE A 32 -12.378 4.258 -25.614 1.00 14.32 C ATOM 472 CG2 ILE A 32 -14.102 4.696 -23.804 1.00 45.30 C ATOM 473 CD1 ILE A 32 -13.175 3.057 -26.126 1.00 63.34 C ATOM 0 H ILE A 32 -12.628 6.248 -27.314 1.00 73.41 H new ATOM 0 HA ILE A 32 -15.125 5.304 -26.015 1.00 53.53 H new ATOM 0 HB ILE A 32 -12.668 6.074 -24.550 1.00 3.43 H new ATOM 0 HG12 ILE A 32 -11.835 4.718 -26.440 1.00 14.32 H new ATOM 0 HG13 ILE A 32 -11.634 3.924 -24.890 1.00 14.32 H new ATOM 0 HG21 ILE A 32 -13.418 4.252 -23.081 1.00 45.30 H new ATOM 0 HG22 ILE A 32 -14.681 5.483 -23.320 1.00 45.30 H new ATOM 0 HG23 ILE A 32 -14.778 3.929 -24.183 1.00 45.30 H new ATOM 0 HD11 ILE A 32 -12.496 2.337 -26.583 1.00 63.34 H new ATOM 0 HD12 ILE A 32 -13.697 2.585 -25.294 1.00 63.34 H new ATOM 0 HD13 ILE A 32 -13.901 3.391 -26.867 1.00 63.34 H new ATOM 485 N ARG A 33 -13.821 8.301 -25.982 1.00 33.31 N ATOM 486 CA ARG A 33 -14.112 9.697 -25.703 1.00 34.30 C ATOM 487 C ARG A 33 -14.172 9.935 -24.193 1.00 33.02 C ATOM 488 O ARG A 33 -13.895 9.031 -23.407 1.00 23.43 O ATOM 489 CB ARG A 33 -15.442 10.118 -26.332 1.00 2.50 C ATOM 490 CG ARG A 33 -15.227 10.694 -27.733 1.00 51.41 C ATOM 491 CD ARG A 33 -16.564 10.972 -28.423 1.00 35.03 C ATOM 492 NE ARG A 33 -16.382 10.994 -29.891 1.00 42.21 N ATOM 493 CZ ARG A 33 -17.192 11.656 -30.745 1.00 23.23 C ATOM 494 NH1 ARG A 33 -18.249 12.357 -30.282 1.00 62.41 N ATOM 495 NH2 ARG A 33 -16.935 11.607 -32.039 1.00 3.24 N ATOM 0 H ARG A 33 -12.928 8.136 -26.446 1.00 33.31 H new ATOM 0 HA ARG A 33 -13.312 10.296 -26.137 1.00 34.30 H new ATOM 0 HB2 ARG A 33 -16.111 9.259 -26.387 1.00 2.50 H new ATOM 0 HB3 ARG A 33 -15.928 10.861 -25.700 1.00 2.50 H new ATOM 0 HG2 ARG A 33 -14.650 11.616 -27.666 1.00 51.41 H new ATOM 0 HG3 ARG A 33 -14.643 9.995 -28.332 1.00 51.41 H new ATOM 0 HD2 ARG A 33 -17.290 10.206 -28.150 1.00 35.03 H new ATOM 0 HD3 ARG A 33 -16.966 11.927 -28.084 1.00 35.03 H new ATOM 0 HE ARG A 33 -15.595 10.477 -30.283 1.00 42.21 H new ATOM 0 HH11 ARG A 33 -18.440 12.389 -29.281 1.00 62.41 H new ATOM 0 HH12 ARG A 33 -18.856 12.854 -30.934 1.00 62.41 H new ATOM 0 HH21 ARG A 33 -16.135 11.075 -32.380 1.00 3.24 H new ATOM 0 HH22 ARG A 33 -17.537 12.101 -32.698 1.00 3.24 H new TER 508 ARG A 33