USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=8 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 Single : A 1 PHE N :NH3+ -102:sc= 0.0515 (180deg=0) USER MOD Single : A 2 ASN :FLIP amide:sc= -0.996 F(o=-2.9!,f=-1) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -4.94! C(o=-4.9!,f=-7.8!) USER MOD Single : A 10 LYS NZ :NH3+ 179:sc=-0.00806 (180deg=-0.00863) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS :FLIP no HD1:sc= -0.614 F(o=-1.8!,f=-0.61) USER MOD Single : A 21 SER OG : rot 18:sc= -0.844! 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 4.707 -2.404 1.786 1.00 2.53 N ATOM 2 CA PHE A 1 5.050 -1.508 0.695 1.00 61.04 C ATOM 3 C PHE A 1 6.551 -1.212 0.679 1.00 1.22 C ATOM 4 O PHE A 1 7.259 -1.526 1.635 1.00 43.24 O ATOM 5 CB PHE A 1 4.287 -0.203 0.930 1.00 2.03 C ATOM 6 CG PHE A 1 4.996 0.770 1.875 1.00 51.34 C ATOM 7 CD1 PHE A 1 6.027 1.531 1.419 1.00 70.05 C ATOM 8 CD2 PHE A 1 4.595 0.875 3.170 1.00 71.41 C ATOM 9 CE1 PHE A 1 6.685 2.434 2.295 1.00 53.11 C ATOM 10 CE2 PHE A 1 5.253 1.778 4.046 1.00 33.33 C ATOM 11 CZ PHE A 1 6.284 2.538 3.590 1.00 12.42 C ATOM 0 H1 PHE A 1 4.572 -3.366 1.416 1.00 2.53 H new ATOM 0 H2 PHE A 1 5.475 -2.407 2.487 1.00 2.53 H new ATOM 0 H3 PHE A 1 3.828 -2.080 2.238 1.00 2.53 H new ATOM 0 HA PHE A 1 4.787 -1.966 -0.258 1.00 61.04 H new ATOM 0 HB2 PHE A 1 4.126 0.290 -0.029 1.00 2.03 H new ATOM 0 HB3 PHE A 1 3.303 -0.437 1.337 1.00 2.03 H new ATOM 0 HD1 PHE A 1 6.345 1.448 0.390 1.00 70.05 H new ATOM 0 HD2 PHE A 1 3.776 0.271 3.532 1.00 71.41 H new ATOM 0 HE1 PHE A 1 7.504 3.038 1.933 1.00 53.11 H new ATOM 0 HE2 PHE A 1 4.935 1.861 5.075 1.00 33.33 H new ATOM 0 HZ PHE A 1 6.785 3.225 4.257 1.00 12.42 H new ATOM 21 N ASN A 2 6.992 -0.611 -0.416 1.00 50.22 N ATOM 22 CA ASN A 2 8.396 -0.269 -0.569 1.00 11.34 C ATOM 23 C ASN A 2 8.583 0.540 -1.854 1.00 14.43 C ATOM 24 O ASN A 2 9.324 1.522 -1.872 1.00 23.55 O ATOM 25 CB ASN A 2 9.261 -1.526 -0.672 1.00 21.21 C ATOM 26 CG ASN A 2 10.536 -1.250 -1.471 1.00 63.30 C ATOM 27 OD1 ASN A 2 10.360 -1.256 -2.789 1.00 11.22 O flip ATOM 28 ND2 ASN A 2 11.609 -1.046 -0.927 1.00 65.13 N flip ATOM 0 H ASN A 2 6.402 -0.352 -1.206 1.00 50.22 H new ATOM 0 HA ASN A 2 8.699 0.307 0.305 1.00 11.34 H new ATOM 0 HB2 ASN A 2 9.522 -1.875 0.327 1.00 21.21 H new ATOM 0 HB3 ASN A 2 8.693 -2.324 -1.150 1.00 21.21 H new ATOM 0 HD21 ASN A 2 11.675 -1.055 0.091 1.00 65.13 H new ATOM 0 HD22 ASN A 2 12.440 -0.866 -1.490 1.00 65.13 H new ATOM 35 N ARG A 3 7.897 0.099 -2.898 1.00 12.02 N ATOM 36 CA ARG A 3 7.978 0.770 -4.184 1.00 73.12 C ATOM 37 C ARG A 3 7.493 2.216 -4.060 1.00 75.33 C ATOM 38 O ARG A 3 7.914 3.083 -4.824 1.00 1.25 O ATOM 39 CB ARG A 3 7.137 0.045 -5.237 1.00 53.40 C ATOM 40 CG ARG A 3 5.741 -0.275 -4.698 1.00 52.45 C ATOM 41 CD ARG A 3 5.436 -1.769 -4.820 1.00 33.04 C ATOM 42 NE ARG A 3 6.498 -2.558 -4.157 1.00 43.21 N ATOM 43 CZ ARG A 3 6.315 -3.792 -3.643 1.00 23.52 C ATOM 44 NH1 ARG A 3 5.107 -4.391 -3.710 1.00 50.34 N ATOM 45 NH2 ARG A 3 7.336 -4.406 -3.073 1.00 14.04 N ATOM 0 H ARG A 3 7.282 -0.715 -2.879 1.00 12.02 H new ATOM 0 HA ARG A 3 9.022 0.759 -4.499 1.00 73.12 H new ATOM 0 HB2 ARG A 3 7.053 0.664 -6.130 1.00 53.40 H new ATOM 0 HB3 ARG A 3 7.636 -0.877 -5.535 1.00 53.40 H new ATOM 0 HG2 ARG A 3 5.672 0.030 -3.654 1.00 52.45 H new ATOM 0 HG3 ARG A 3 4.995 0.298 -5.248 1.00 52.45 H new ATOM 0 HD2 ARG A 3 4.470 -1.990 -4.366 1.00 33.04 H new ATOM 0 HD3 ARG A 3 5.365 -2.050 -5.871 1.00 33.04 H new ATOM 0 HE ARG A 3 7.427 -2.143 -4.084 1.00 43.21 H new ATOM 0 HH11 ARG A 3 4.323 -3.910 -4.152 1.00 50.34 H new ATOM 0 HH12 ARG A 3 4.978 -5.324 -3.319 1.00 50.34 H new ATOM 0 HH21 ARG A 3 8.246 -3.947 -3.026 1.00 14.04 H new ATOM 0 HH22 ARG A 3 7.215 -5.339 -2.679 1.00 14.04 H new ATOM 58 N GLY A 4 6.613 2.430 -3.093 1.00 10.21 N ATOM 59 CA GLY A 4 6.066 3.756 -2.859 1.00 71.13 C ATOM 60 C GLY A 4 4.808 3.986 -3.700 1.00 44.20 C ATOM 61 O GLY A 4 3.861 4.625 -3.244 1.00 43.25 O ATOM 0 H GLY A 4 6.265 1.708 -2.462 1.00 10.21 H new ATOM 0 HA2 GLY A 4 5.828 3.874 -1.802 1.00 71.13 H new ATOM 0 HA3 GLY A 4 6.814 4.510 -3.103 1.00 71.13 H new ATOM 65 N GLY A 5 4.840 3.453 -4.912 1.00 61.24 N ATOM 66 CA GLY A 5 3.715 3.592 -5.821 1.00 13.21 C ATOM 67 C GLY A 5 4.094 4.437 -7.039 1.00 4.13 C ATOM 68 O GLY A 5 3.244 5.107 -7.623 1.00 64.03 O ATOM 0 H GLY A 5 5.628 2.924 -5.286 1.00 61.24 H new ATOM 0 HA2 GLY A 5 3.383 2.606 -6.147 1.00 13.21 H new ATOM 0 HA3 GLY A 5 2.877 4.055 -5.300 1.00 13.21 H new ATOM 72 N TYR A 6 5.372 4.378 -7.385 1.00 31.11 N ATOM 73 CA TYR A 6 5.875 5.129 -8.522 1.00 55.35 C ATOM 74 C TYR A 6 7.173 4.517 -9.053 1.00 55.55 C ATOM 75 O TYR A 6 7.354 4.392 -10.264 1.00 4.25 O ATOM 76 CB TYR A 6 6.164 6.539 -8.002 1.00 65.41 C ATOM 77 CG TYR A 6 7.442 6.643 -7.166 1.00 75.41 C ATOM 78 CD1 TYR A 6 7.471 6.132 -5.884 1.00 53.12 C ATOM 79 CD2 TYR A 6 8.565 7.247 -7.694 1.00 14.02 C ATOM 80 CE1 TYR A 6 8.673 6.230 -5.097 1.00 54.03 C ATOM 81 CE2 TYR A 6 9.767 7.345 -6.907 1.00 34.02 C ATOM 82 CZ TYR A 6 9.761 6.832 -5.647 1.00 62.34 C ATOM 83 OH TYR A 6 10.896 6.924 -4.904 1.00 45.22 O ATOM 0 H TYR A 6 6.074 3.821 -6.897 1.00 31.11 H new ATOM 0 HA TYR A 6 5.150 5.124 -9.336 1.00 55.35 H new ATOM 0 HB2 TYR A 6 6.240 7.220 -8.850 1.00 65.41 H new ATOM 0 HB3 TYR A 6 5.319 6.873 -7.400 1.00 65.41 H new ATOM 0 HD1 TYR A 6 6.592 5.659 -5.471 1.00 53.12 H new ATOM 0 HD2 TYR A 6 8.542 7.646 -8.697 1.00 14.02 H new ATOM 0 HE1 TYR A 6 8.709 5.834 -4.093 1.00 54.03 H new ATOM 0 HE2 TYR A 6 10.653 7.815 -7.308 1.00 34.02 H new ATOM 0 HH TYR A 6 11.592 7.377 -5.425 1.00 45.22 H new ATOM 93 N ASN A 7 8.041 4.153 -8.122 1.00 65.33 N ATOM 94 CA ASN A 7 9.317 3.557 -8.481 1.00 63.04 C ATOM 95 C ASN A 7 9.884 4.276 -9.708 1.00 35.53 C ATOM 96 O ASN A 7 9.576 5.443 -9.945 1.00 74.50 O ATOM 97 CB ASN A 7 9.154 2.077 -8.834 1.00 4.21 C ATOM 98 CG ASN A 7 10.297 1.245 -8.248 1.00 33.02 C ATOM 99 OD1 ASN A 7 11.286 0.956 -8.900 1.00 24.50 O ATOM 100 ND2 ASN A 7 10.105 0.878 -6.984 1.00 62.51 N ATOM 0 H ASN A 7 7.887 4.259 -7.119 1.00 65.33 H new ATOM 0 HA ASN A 7 9.986 3.652 -7.626 1.00 63.04 H new ATOM 0 HB2 ASN A 7 8.201 1.711 -8.453 1.00 4.21 H new ATOM 0 HB3 ASN A 7 9.131 1.958 -9.917 1.00 4.21 H new ATOM 0 HD21 ASN A 7 10.810 0.320 -6.502 1.00 62.51 H new ATOM 0 HD22 ASN A 7 9.253 1.155 -6.496 1.00 62.51 H new ATOM 107 N PHE A 8 10.701 3.549 -10.455 1.00 25.54 N ATOM 108 CA PHE A 8 11.314 4.102 -11.651 1.00 34.14 C ATOM 109 C PHE A 8 11.986 3.006 -12.480 1.00 34.20 C ATOM 110 O PHE A 8 13.023 3.238 -13.098 1.00 5.21 O ATOM 111 CB PHE A 8 12.377 5.099 -11.188 1.00 4.41 C ATOM 112 CG PHE A 8 13.064 4.713 -9.876 1.00 62.04 C ATOM 113 CD1 PHE A 8 13.772 3.554 -9.795 1.00 15.10 C ATOM 114 CD2 PHE A 8 12.967 5.528 -8.792 1.00 44.22 C ATOM 115 CE1 PHE A 8 14.409 3.196 -8.578 1.00 31.51 C ATOM 116 CE2 PHE A 8 13.605 5.169 -7.575 1.00 12.50 C ATOM 117 CZ PHE A 8 14.312 4.011 -7.494 1.00 21.35 C ATOM 0 H PHE A 8 10.953 2.581 -10.255 1.00 25.54 H new ATOM 0 HA PHE A 8 10.555 4.576 -12.273 1.00 34.14 H new ATOM 0 HB2 PHE A 8 13.133 5.196 -11.967 1.00 4.41 H new ATOM 0 HB3 PHE A 8 11.914 6.079 -11.069 1.00 4.41 H new ATOM 0 HD1 PHE A 8 13.849 2.907 -10.656 1.00 15.10 H new ATOM 0 HD2 PHE A 8 12.405 6.448 -8.856 1.00 44.22 H new ATOM 0 HE1 PHE A 8 14.971 2.276 -8.513 1.00 31.51 H new ATOM 0 HE2 PHE A 8 13.528 5.816 -6.714 1.00 12.50 H new ATOM 0 HZ PHE A 8 14.797 3.738 -6.568 1.00 21.35 H new ATOM 127 N GLY A 9 11.366 1.835 -12.467 1.00 23.41 N ATOM 128 CA GLY A 9 11.892 0.702 -13.210 1.00 74.12 C ATOM 129 C GLY A 9 10.770 -0.260 -13.609 1.00 4.21 C ATOM 130 O GLY A 9 10.613 -0.582 -14.786 1.00 1.15 O ATOM 0 H GLY A 9 10.505 1.646 -11.954 1.00 23.41 H new ATOM 0 HA2 GLY A 9 12.408 1.056 -14.103 1.00 74.12 H new ATOM 0 HA3 GLY A 9 12.629 0.175 -12.604 1.00 74.12 H new ATOM 134 N LYS A 10 10.020 -0.691 -12.606 1.00 31.40 N ATOM 135 CA LYS A 10 8.918 -1.610 -12.837 1.00 51.12 C ATOM 136 C LYS A 10 7.844 -0.911 -13.674 1.00 23.02 C ATOM 137 O LYS A 10 7.455 -1.407 -14.730 1.00 50.20 O ATOM 138 CB LYS A 10 8.398 -2.167 -11.511 1.00 32.43 C ATOM 139 CG LYS A 10 9.528 -2.288 -10.486 1.00 14.11 C ATOM 140 CD LYS A 10 9.417 -1.199 -9.417 1.00 51.42 C ATOM 141 CE LYS A 10 8.188 -1.421 -8.533 1.00 24.12 C ATOM 142 NZ LYS A 10 8.455 -2.479 -7.532 1.00 51.32 N ATOM 0 H LYS A 10 10.153 -0.421 -11.631 1.00 31.40 H new ATOM 0 HA LYS A 10 9.256 -2.474 -13.408 1.00 51.12 H new ATOM 0 HB2 LYS A 10 7.616 -1.516 -11.120 1.00 32.43 H new ATOM 0 HB3 LYS A 10 7.945 -3.145 -11.676 1.00 32.43 H new ATOM 0 HG2 LYS A 10 9.493 -3.270 -10.015 1.00 14.11 H new ATOM 0 HG3 LYS A 10 10.491 -2.211 -10.990 1.00 14.11 H new ATOM 0 HD2 LYS A 10 10.316 -1.196 -8.801 1.00 51.42 H new ATOM 0 HD3 LYS A 10 9.354 -0.221 -9.894 1.00 51.42 H new ATOM 0 HE2 LYS A 10 7.923 -0.492 -8.028 1.00 24.12 H new ATOM 0 HE3 LYS A 10 7.335 -1.703 -9.150 1.00 24.12 H new ATOM 0 HZ1 LYS A 10 7.617 -2.606 -6.929 1.00 51.32 H new ATOM 0 HZ2 LYS A 10 8.669 -3.372 -8.020 1.00 51.32 H new ATOM 0 HZ3 LYS A 10 9.267 -2.203 -6.943 1.00 51.32 H new ATOM 155 N SER A 11 7.396 0.229 -13.170 1.00 1.41 N ATOM 156 CA SER A 11 6.375 1.001 -13.858 1.00 0.44 C ATOM 157 C SER A 11 6.807 1.272 -15.300 1.00 75.24 C ATOM 158 O SER A 11 5.970 1.339 -16.200 1.00 64.40 O ATOM 159 CB SER A 11 6.098 2.319 -13.131 1.00 33.33 C ATOM 160 OG SER A 11 4.713 2.654 -13.144 1.00 11.52 O ATOM 0 H SER A 11 7.721 0.637 -12.293 1.00 1.41 H new ATOM 0 HA SER A 11 5.453 0.420 -13.865 1.00 0.44 H new ATOM 0 HB2 SER A 11 6.443 2.244 -12.100 1.00 33.33 H new ATOM 0 HB3 SER A 11 6.669 3.120 -13.601 1.00 33.33 H new ATOM 0 HG SER A 11 4.577 3.500 -12.669 1.00 11.52 H new ATOM 166 N VAL A 12 8.111 1.420 -15.476 1.00 3.20 N ATOM 167 CA VAL A 12 8.664 1.682 -16.794 1.00 61.11 C ATOM 168 C VAL A 12 8.374 0.491 -17.710 1.00 12.03 C ATOM 169 O VAL A 12 8.158 0.663 -18.908 1.00 40.14 O ATOM 170 CB VAL A 12 10.156 2.000 -16.682 1.00 25.00 C ATOM 171 CG1 VAL A 12 10.886 1.674 -17.987 1.00 21.34 C ATOM 172 CG2 VAL A 12 10.377 3.460 -16.280 1.00 62.34 C ATOM 0 H VAL A 12 8.802 1.364 -14.727 1.00 3.20 H new ATOM 0 HA VAL A 12 8.191 2.558 -17.239 1.00 61.11 H new ATOM 0 HB VAL A 12 10.575 1.370 -15.898 1.00 25.00 H new ATOM 0 HG11 VAL A 12 11.945 1.909 -17.880 1.00 21.34 H new ATOM 0 HG12 VAL A 12 10.771 0.614 -18.213 1.00 21.34 H new ATOM 0 HG13 VAL A 12 10.463 2.266 -18.798 1.00 21.34 H new ATOM 0 HG21 VAL A 12 11.446 3.660 -16.207 1.00 62.34 H new ATOM 0 HG22 VAL A 12 9.936 4.115 -17.031 1.00 62.34 H new ATOM 0 HG23 VAL A 12 9.907 3.647 -15.315 1.00 62.34 H new ATOM 182 N ARG A 13 8.378 -0.690 -17.110 1.00 72.40 N ATOM 183 CA ARG A 13 8.118 -1.910 -17.857 1.00 15.55 C ATOM 184 C ARG A 13 6.661 -1.945 -18.323 1.00 71.44 C ATOM 185 O ARG A 13 6.363 -2.462 -19.399 1.00 33.41 O ATOM 186 CB ARG A 13 8.404 -3.148 -17.005 1.00 73.24 C ATOM 187 CG ARG A 13 9.817 -3.097 -16.420 1.00 74.15 C ATOM 188 CD ARG A 13 10.807 -2.514 -17.430 1.00 63.44 C ATOM 189 NE ARG A 13 10.721 -3.254 -18.709 1.00 73.41 N ATOM 190 CZ ARG A 13 11.138 -4.527 -18.877 1.00 22.22 C ATOM 191 NH1 ARG A 13 11.676 -5.213 -17.846 1.00 31.30 N ATOM 192 NH2 ARG A 13 11.013 -5.091 -20.064 1.00 11.21 N ATOM 0 H ARG A 13 8.557 -0.829 -16.115 1.00 72.40 H new ATOM 0 HA ARG A 13 8.781 -1.918 -18.723 1.00 15.55 H new ATOM 0 HB2 ARG A 13 7.675 -3.215 -16.198 1.00 73.24 H new ATOM 0 HB3 ARG A 13 8.290 -4.046 -17.612 1.00 73.24 H new ATOM 0 HG2 ARG A 13 9.818 -2.492 -15.514 1.00 74.15 H new ATOM 0 HG3 ARG A 13 10.132 -4.100 -16.134 1.00 74.15 H new ATOM 0 HD2 ARG A 13 10.591 -1.459 -17.596 1.00 63.44 H new ATOM 0 HD3 ARG A 13 11.821 -2.573 -17.034 1.00 63.44 H new ATOM 0 HE ARG A 13 10.322 -2.772 -19.514 1.00 73.41 H new ATOM 0 HH11 ARG A 13 11.770 -4.770 -16.932 1.00 31.30 H new ATOM 0 HH12 ARG A 13 11.989 -6.174 -17.981 1.00 31.30 H new ATOM 0 HH21 ARG A 13 10.606 -4.566 -20.838 1.00 11.21 H new ATOM 0 HH22 ARG A 13 11.323 -6.052 -20.207 1.00 11.21 H new ATOM 205 N HIS A 14 5.792 -1.389 -17.492 1.00 25.34 N ATOM 206 CA HIS A 14 4.374 -1.351 -17.806 1.00 23.22 C ATOM 207 C HIS A 14 4.110 -0.268 -18.854 1.00 32.41 C ATOM 208 O HIS A 14 3.353 -0.485 -19.799 1.00 35.54 O ATOM 209 CB HIS A 14 3.542 -1.163 -16.536 1.00 75.42 C ATOM 210 CG HIS A 14 2.271 -0.375 -16.746 1.00 74.33 C ATOM 211 ND1 HIS A 14 2.078 0.926 -17.107 1.00 4.34 N flip ATOM 212 CD2 HIS A 14 1.011 -0.926 -16.583 1.00 62.12 C flip ATOM 213 CE1 HIS A 14 0.772 1.157 -17.162 1.00 63.31 C flip ATOM 214 NE2 HIS A 14 0.109 0.011 -16.837 1.00 44.35 N flip ATOM 0 H HIS A 14 6.043 -0.961 -16.601 1.00 25.34 H new ATOM 0 HA HIS A 14 4.066 -2.305 -18.234 1.00 23.22 H new ATOM 0 HB2 HIS A 14 3.287 -2.143 -16.132 1.00 75.42 H new ATOM 0 HB3 HIS A 14 4.151 -0.658 -15.786 1.00 75.42 H new ATOM 0 HD2 HIS A 14 0.799 -1.946 -16.297 1.00 62.12 H new ATOM 0 HE1 HIS A 14 0.310 2.098 -17.422 1.00 63.31 H new ATOM 0 HE2 HIS A 14 -0.904 -0.105 -16.796 1.00 44.35 H new ATOM 222 N VAL A 15 4.749 0.874 -18.652 1.00 12.44 N ATOM 223 CA VAL A 15 4.592 1.992 -19.567 1.00 62.34 C ATOM 224 C VAL A 15 5.230 1.637 -20.912 1.00 73.51 C ATOM 225 O VAL A 15 4.736 2.041 -21.963 1.00 52.24 O ATOM 226 CB VAL A 15 5.175 3.263 -18.947 1.00 21.15 C ATOM 227 CG1 VAL A 15 6.630 3.465 -19.375 1.00 31.21 C ATOM 228 CG2 VAL A 15 4.325 4.485 -19.299 1.00 72.13 C ATOM 0 H VAL A 15 5.377 1.050 -17.868 1.00 12.44 H new ATOM 0 HA VAL A 15 3.536 2.191 -19.749 1.00 62.34 H new ATOM 0 HB VAL A 15 5.158 3.145 -17.864 1.00 21.15 H new ATOM 0 HG11 VAL A 15 7.020 4.376 -18.920 1.00 31.21 H new ATOM 0 HG12 VAL A 15 7.227 2.613 -19.050 1.00 31.21 H new ATOM 0 HG13 VAL A 15 6.681 3.551 -20.460 1.00 31.21 H new ATOM 0 HG21 VAL A 15 4.762 5.375 -18.846 1.00 72.13 H new ATOM 0 HG22 VAL A 15 4.294 4.607 -20.382 1.00 72.13 H new ATOM 0 HG23 VAL A 15 3.312 4.345 -18.921 1.00 72.13 H new ATOM 238 N VAL A 16 6.317 0.884 -20.835 1.00 23.13 N ATOM 239 CA VAL A 16 7.028 0.470 -22.033 1.00 35.42 C ATOM 240 C VAL A 16 6.052 -0.226 -22.984 1.00 31.52 C ATOM 241 O VAL A 16 6.086 0.004 -24.192 1.00 32.14 O ATOM 242 CB VAL A 16 8.223 -0.408 -21.655 1.00 40.55 C ATOM 243 CG1 VAL A 16 8.624 -1.317 -22.818 1.00 61.42 C ATOM 244 CG2 VAL A 16 9.406 0.447 -21.194 1.00 73.52 C ATOM 0 H VAL A 16 6.723 0.549 -19.961 1.00 23.13 H new ATOM 0 HA VAL A 16 7.431 1.336 -22.557 1.00 35.42 H new ATOM 0 HB VAL A 16 7.923 -1.043 -20.821 1.00 40.55 H new ATOM 0 HG11 VAL A 16 9.475 -1.931 -22.523 1.00 61.42 H new ATOM 0 HG12 VAL A 16 7.786 -1.962 -23.081 1.00 61.42 H new ATOM 0 HG13 VAL A 16 8.897 -0.707 -23.679 1.00 61.42 H new ATOM 0 HG21 VAL A 16 10.242 -0.201 -20.931 1.00 73.52 H new ATOM 0 HG22 VAL A 16 9.706 1.118 -21.999 1.00 73.52 H new ATOM 0 HG23 VAL A 16 9.114 1.033 -20.323 1.00 73.52 H new ATOM 254 N ASP A 17 5.205 -1.064 -22.403 1.00 43.01 N ATOM 255 CA ASP A 17 4.222 -1.795 -23.184 1.00 32.22 C ATOM 256 C ASP A 17 3.134 -0.830 -23.659 1.00 44.34 C ATOM 257 O ASP A 17 2.478 -1.077 -24.670 1.00 31.43 O ATOM 258 CB ASP A 17 3.552 -2.885 -22.345 1.00 22.14 C ATOM 259 CG ASP A 17 3.300 -4.203 -23.079 1.00 72.31 C ATOM 260 OD1 ASP A 17 4.063 -4.591 -23.976 1.00 41.11 O ATOM 261 OD2 ASP A 17 2.254 -4.852 -22.691 1.00 42.14 O ATOM 0 H ASP A 17 5.180 -1.253 -21.401 1.00 43.01 H new ATOM 0 HA ASP A 17 4.736 -2.254 -24.028 1.00 32.22 H new ATOM 0 HB2 ASP A 17 4.175 -3.085 -21.473 1.00 22.14 H new ATOM 0 HB3 ASP A 17 2.600 -2.504 -21.976 1.00 22.14 H new ATOM 267 N ALA A 18 2.978 0.251 -22.909 1.00 34.33 N ATOM 268 CA ALA A 18 1.981 1.255 -23.241 1.00 20.41 C ATOM 269 C ALA A 18 2.347 1.908 -24.575 1.00 10.41 C ATOM 270 O ALA A 18 1.468 2.259 -25.360 1.00 53.23 O ATOM 271 CB ALA A 18 1.880 2.271 -22.102 1.00 25.13 C ATOM 0 H ALA A 18 3.525 0.454 -22.072 1.00 34.33 H new ATOM 0 HA ALA A 18 0.999 0.797 -23.356 1.00 20.41 H new ATOM 0 HB1 ALA A 18 1.132 3.024 -22.351 1.00 25.13 H new ATOM 0 HB2 ALA A 18 1.589 1.761 -21.184 1.00 25.13 H new ATOM 0 HB3 ALA A 18 2.847 2.754 -21.958 1.00 25.13 H new ATOM 277 N ILE A 19 3.646 2.052 -24.790 1.00 3.50 N ATOM 278 CA ILE A 19 4.139 2.658 -26.015 1.00 65.14 C ATOM 279 C ILE A 19 3.538 1.928 -27.218 1.00 31.21 C ATOM 280 O ILE A 19 3.333 2.526 -28.273 1.00 65.11 O ATOM 281 CB ILE A 19 5.669 2.692 -26.019 1.00 21.54 C ATOM 282 CG1 ILE A 19 6.207 3.294 -24.719 1.00 30.10 C ATOM 283 CG2 ILE A 19 6.199 3.425 -27.253 1.00 32.24 C ATOM 284 CD1 ILE A 19 5.373 4.502 -24.288 1.00 51.13 C ATOM 0 H ILE A 19 4.372 1.759 -24.136 1.00 3.50 H new ATOM 0 HA ILE A 19 3.820 3.698 -26.080 1.00 65.14 H new ATOM 0 HB ILE A 19 6.033 1.666 -26.074 1.00 21.54 H new ATOM 0 HG12 ILE A 19 6.195 2.540 -23.932 1.00 30.10 H new ATOM 0 HG13 ILE A 19 7.246 3.595 -24.856 1.00 30.10 H new ATOM 0 HG21 ILE A 19 7.289 3.434 -27.230 1.00 32.24 H new ATOM 0 HG22 ILE A 19 5.859 2.914 -28.154 1.00 32.24 H new ATOM 0 HG23 ILE A 19 5.827 4.450 -27.255 1.00 32.24 H new ATOM 0 HD11 ILE A 19 5.777 4.911 -23.362 1.00 51.13 H new ATOM 0 HD12 ILE A 19 5.407 5.264 -25.066 1.00 51.13 H new ATOM 0 HD13 ILE A 19 4.340 4.193 -24.128 1.00 51.13 H new ATOM 296 N GLY A 20 3.271 0.645 -27.018 1.00 42.52 N ATOM 297 CA GLY A 20 2.697 -0.173 -28.073 1.00 41.40 C ATOM 298 C GLY A 20 1.173 -0.233 -27.952 1.00 21.43 C ATOM 299 O GLY A 20 0.477 -0.466 -28.939 1.00 20.12 O ATOM 0 H GLY A 20 3.442 0.152 -26.141 1.00 42.52 H new ATOM 0 HA2 GLY A 20 2.972 0.235 -29.045 1.00 41.40 H new ATOM 0 HA3 GLY A 20 3.109 -1.181 -28.022 1.00 41.40 H new ATOM 303 N SER A 21 0.699 -0.020 -26.733 1.00 24.21 N ATOM 304 CA SER A 21 -0.729 -0.048 -26.470 1.00 13.23 C ATOM 305 C SER A 21 -1.393 1.201 -27.053 1.00 51.20 C ATOM 306 O SER A 21 -2.619 1.288 -27.111 1.00 22.33 O ATOM 307 CB SER A 21 -1.011 -0.147 -24.969 1.00 71.02 C ATOM 308 OG SER A 21 -0.041 -0.944 -24.295 1.00 71.44 O ATOM 0 H SER A 21 1.279 0.173 -25.917 1.00 24.21 H new ATOM 0 HA SER A 21 -1.148 -0.932 -26.950 1.00 13.23 H new ATOM 0 HB2 SER A 21 -1.023 0.853 -24.536 1.00 71.02 H new ATOM 0 HB3 SER A 21 -2.002 -0.574 -24.814 1.00 71.02 H new ATOM 0 HG SER A 21 0.756 -1.035 -24.858 1.00 71.44 H new ATOM 314 N VAL A 22 -0.554 2.138 -27.471 1.00 32.32 N ATOM 315 CA VAL A 22 -1.044 3.378 -28.048 1.00 13.14 C ATOM 316 C VAL A 22 -1.934 3.059 -29.251 1.00 12.43 C ATOM 317 O VAL A 22 -2.923 3.749 -29.496 1.00 31.33 O ATOM 318 CB VAL A 22 0.131 4.292 -28.399 1.00 43.10 C ATOM 319 CG1 VAL A 22 -0.342 5.515 -29.188 1.00 65.30 C ATOM 320 CG2 VAL A 22 0.894 4.713 -27.141 1.00 60.41 C ATOM 0 H VAL A 22 0.462 2.063 -27.421 1.00 32.32 H new ATOM 0 HA VAL A 22 -1.655 3.920 -27.326 1.00 13.14 H new ATOM 0 HB VAL A 22 0.815 3.728 -29.033 1.00 43.10 H new ATOM 0 HG11 VAL A 22 0.513 6.148 -29.425 1.00 65.30 H new ATOM 0 HG12 VAL A 22 -0.819 5.189 -30.112 1.00 65.30 H new ATOM 0 HG13 VAL A 22 -1.057 6.080 -28.590 1.00 65.30 H new ATOM 0 HG21 VAL A 22 1.724 5.362 -27.419 1.00 60.41 H new ATOM 0 HG22 VAL A 22 0.223 5.250 -26.471 1.00 60.41 H new ATOM 0 HG23 VAL A 22 1.280 3.827 -26.636 1.00 60.41 H new ATOM 330 N ALA A 23 -1.551 2.015 -29.969 1.00 60.45 N ATOM 331 CA ALA A 23 -2.302 1.596 -31.141 1.00 42.10 C ATOM 332 C ALA A 23 -3.610 0.939 -30.695 1.00 42.23 C ATOM 333 O ALA A 23 -4.547 0.816 -31.483 1.00 4.22 O ATOM 334 CB ALA A 23 -1.440 0.661 -31.993 1.00 15.44 C ATOM 0 H ALA A 23 -0.730 1.446 -29.763 1.00 60.45 H new ATOM 0 HA ALA A 23 -2.559 2.456 -31.760 1.00 42.10 H new ATOM 0 HB1 ALA A 23 -2.003 0.347 -32.872 1.00 15.44 H new ATOM 0 HB2 ALA A 23 -0.538 1.185 -32.308 1.00 15.44 H new ATOM 0 HB3 ALA A 23 -1.165 -0.215 -31.406 1.00 15.44 H new ATOM 340 N GLY A 24 -3.632 0.535 -29.434 1.00 24.51 N ATOM 341 CA GLY A 24 -4.809 -0.107 -28.874 1.00 12.30 C ATOM 342 C GLY A 24 -5.456 0.774 -27.803 1.00 21.23 C ATOM 343 O GLY A 24 -6.236 0.290 -26.984 1.00 61.31 O ATOM 0 H GLY A 24 -2.853 0.640 -28.784 1.00 24.51 H new ATOM 0 HA2 GLY A 24 -5.529 -0.310 -29.667 1.00 12.30 H new ATOM 0 HA3 GLY A 24 -4.532 -1.068 -28.441 1.00 12.30 H new ATOM 347 N ILE A 25 -5.108 2.051 -27.843 1.00 3.50 N ATOM 348 CA ILE A 25 -5.644 3.004 -26.886 1.00 34.11 C ATOM 349 C ILE A 25 -5.859 4.351 -27.579 1.00 71.10 C ATOM 350 O ILE A 25 -6.970 4.879 -27.587 1.00 71.45 O ATOM 351 CB ILE A 25 -4.747 3.085 -25.649 1.00 61.34 C ATOM 352 CG1 ILE A 25 -5.015 1.915 -24.700 1.00 12.42 C ATOM 353 CG2 ILE A 25 -4.897 4.437 -24.950 1.00 54.21 C ATOM 354 CD1 ILE A 25 -3.773 1.035 -24.549 1.00 41.04 C ATOM 0 H ILE A 25 -4.461 2.449 -28.524 1.00 3.50 H new ATOM 0 HA ILE A 25 -6.617 2.673 -26.524 1.00 34.11 H new ATOM 0 HB ILE A 25 -3.710 3.005 -25.974 1.00 61.34 H new ATOM 0 HG12 ILE A 25 -5.316 2.296 -23.724 1.00 12.42 H new ATOM 0 HG13 ILE A 25 -5.844 1.318 -25.079 1.00 12.42 H new ATOM 0 HG21 ILE A 25 -4.249 4.468 -24.074 1.00 54.21 H new ATOM 0 HG22 ILE A 25 -4.617 5.235 -25.637 1.00 54.21 H new ATOM 0 HG23 ILE A 25 -5.933 4.573 -24.639 1.00 54.21 H new ATOM 0 HD11 ILE A 25 -3.991 0.211 -23.869 1.00 41.04 H new ATOM 0 HD12 ILE A 25 -3.489 0.636 -25.523 1.00 41.04 H new ATOM 0 HD13 ILE A 25 -2.953 1.629 -24.147 1.00 41.04 H new ATOM 366 N ARG A 26 -4.778 4.869 -28.144 1.00 31.35 N ATOM 367 CA ARG A 26 -4.834 6.144 -28.838 1.00 11.05 C ATOM 368 C ARG A 26 -5.688 6.024 -30.101 1.00 75.31 C ATOM 369 O ARG A 26 -6.477 6.916 -30.409 1.00 13.05 O ATOM 370 CB ARG A 26 -3.433 6.624 -29.221 1.00 50.24 C ATOM 371 CG ARG A 26 -3.124 7.980 -28.584 1.00 55.51 C ATOM 372 CD ARG A 26 -2.504 7.806 -27.197 1.00 21.25 C ATOM 373 NE ARG A 26 -2.875 8.946 -26.329 1.00 44.21 N ATOM 374 CZ ARG A 26 -3.998 8.995 -25.583 1.00 15.52 C ATOM 375 NH1 ARG A 26 -4.873 7.967 -25.592 1.00 63.20 N ATOM 376 NH2 ARG A 26 -4.230 10.065 -24.844 1.00 62.31 N ATOM 0 H ARG A 26 -3.858 4.428 -28.135 1.00 31.35 H new ATOM 0 HA ARG A 26 -5.282 6.871 -28.161 1.00 11.05 H new ATOM 0 HB2 ARG A 26 -2.693 5.891 -28.900 1.00 50.24 H new ATOM 0 HB3 ARG A 26 -3.355 6.702 -30.305 1.00 50.24 H new ATOM 0 HG2 ARG A 26 -2.441 8.539 -29.224 1.00 55.51 H new ATOM 0 HG3 ARG A 26 -4.040 8.566 -28.506 1.00 55.51 H new ATOM 0 HD2 ARG A 26 -2.847 6.872 -26.751 1.00 21.25 H new ATOM 0 HD3 ARG A 26 -1.419 7.740 -27.280 1.00 21.25 H new ATOM 0 HE ARG A 26 -2.242 9.745 -26.293 1.00 44.21 H new ATOM 0 HH11 ARG A 26 -4.688 7.144 -26.166 1.00 63.20 H new ATOM 0 HH12 ARG A 26 -5.719 8.013 -25.025 1.00 63.20 H new ATOM 0 HH21 ARG A 26 -3.565 10.838 -24.843 1.00 62.31 H new ATOM 0 HH22 ARG A 26 -5.074 10.118 -24.274 1.00 62.31 H new ATOM 389 N GLY A 27 -5.502 4.913 -30.799 1.00 54.22 N ATOM 390 CA GLY A 27 -6.246 4.665 -32.022 1.00 73.44 C ATOM 391 C GLY A 27 -7.733 4.459 -31.727 1.00 75.35 C ATOM 392 O GLY A 27 -8.589 4.959 -32.456 1.00 34.24 O ATOM 0 H GLY A 27 -4.847 4.175 -30.541 1.00 54.22 H new ATOM 0 HA2 GLY A 27 -6.120 5.505 -32.705 1.00 73.44 H new ATOM 0 HA3 GLY A 27 -5.846 3.784 -32.523 1.00 73.44 H new ATOM 396 N ILE A 28 -7.995 3.721 -30.658 1.00 54.43 N ATOM 397 CA ILE A 28 -9.364 3.443 -30.258 1.00 53.11 C ATOM 398 C ILE A 28 -9.944 4.670 -29.552 1.00 11.40 C ATOM 399 O ILE A 28 -11.159 4.789 -29.403 1.00 33.44 O ATOM 400 CB ILE A 28 -9.428 2.164 -29.421 1.00 12.34 C ATOM 401 CG1 ILE A 28 -9.286 2.478 -27.930 1.00 23.43 C ATOM 402 CG2 ILE A 28 -8.389 1.146 -29.894 1.00 40.23 C ATOM 403 CD1 ILE A 28 -9.431 1.209 -27.087 1.00 4.13 C ATOM 0 H ILE A 28 -7.282 3.307 -30.057 1.00 54.43 H new ATOM 0 HA ILE A 28 -9.986 3.255 -31.133 1.00 53.11 H new ATOM 0 HB ILE A 28 -10.409 1.711 -29.563 1.00 12.34 H new ATOM 0 HG12 ILE A 28 -8.315 2.935 -27.742 1.00 23.43 H new ATOM 0 HG13 ILE A 28 -10.043 3.204 -27.634 1.00 23.43 H new ATOM 0 HG21 ILE A 28 -8.456 0.246 -29.282 1.00 40.23 H new ATOM 0 HG22 ILE A 28 -8.578 0.891 -30.937 1.00 40.23 H new ATOM 0 HG23 ILE A 28 -7.391 1.574 -29.801 1.00 40.23 H new ATOM 0 HD11 ILE A 28 -9.326 1.459 -26.031 1.00 4.13 H new ATOM 0 HD12 ILE A 28 -10.413 0.768 -27.259 1.00 4.13 H new ATOM 0 HD13 ILE A 28 -8.658 0.495 -27.369 1.00 4.13 H new ATOM 415 N LEU A 29 -9.048 5.553 -29.136 1.00 65.14 N ATOM 416 CA LEU A 29 -9.455 6.767 -28.450 1.00 21.25 C ATOM 417 C LEU A 29 -10.359 7.590 -29.370 1.00 24.40 C ATOM 418 O LEU A 29 -11.254 8.291 -28.902 1.00 32.33 O ATOM 419 CB LEU A 29 -8.231 7.533 -27.944 1.00 42.03 C ATOM 420 CG LEU A 29 -8.179 7.796 -26.438 1.00 2.01 C ATOM 421 CD1 LEU A 29 -7.533 6.623 -25.698 1.00 65.15 C ATOM 422 CD2 LEU A 29 -7.476 9.121 -26.137 1.00 25.15 C ATOM 0 H LEU A 29 -8.041 5.451 -29.261 1.00 65.14 H new ATOM 0 HA LEU A 29 -10.040 6.525 -27.563 1.00 21.25 H new ATOM 0 HB2 LEU A 29 -7.337 6.977 -28.227 1.00 42.03 H new ATOM 0 HB3 LEU A 29 -8.187 8.491 -28.462 1.00 42.03 H new ATOM 0 HG LEU A 29 -9.202 7.883 -26.071 1.00 2.01 H new ATOM 0 HD11 LEU A 29 -7.509 6.836 -24.629 1.00 65.15 H new ATOM 0 HD12 LEU A 29 -8.114 5.717 -25.874 1.00 65.15 H new ATOM 0 HD13 LEU A 29 -6.516 6.479 -26.062 1.00 65.15 H new ATOM 0 HD21 LEU A 29 -7.453 9.284 -25.059 1.00 25.15 H new ATOM 0 HD22 LEU A 29 -6.456 9.087 -26.521 1.00 25.15 H new ATOM 0 HD23 LEU A 29 -8.017 9.937 -26.616 1.00 25.15 H new ATOM 434 N LYS A 30 -10.092 7.477 -30.663 1.00 34.21 N ATOM 435 CA LYS A 30 -10.870 8.202 -31.653 1.00 74.53 C ATOM 436 C LYS A 30 -12.306 7.672 -31.655 1.00 63.33 C ATOM 437 O LYS A 30 -13.192 8.272 -32.262 1.00 21.24 O ATOM 438 CB LYS A 30 -10.189 8.137 -33.022 1.00 11.23 C ATOM 439 CG LYS A 30 -10.273 6.727 -33.610 1.00 43.21 C ATOM 440 CD LYS A 30 -11.384 6.635 -34.658 1.00 1.32 C ATOM 441 CE LYS A 30 -10.802 6.598 -36.072 1.00 41.23 C ATOM 442 NZ LYS A 30 -11.699 7.297 -37.020 1.00 63.21 N ATOM 0 H LYS A 30 -9.348 6.895 -31.048 1.00 34.21 H new ATOM 0 HA LYS A 30 -10.920 9.260 -31.397 1.00 74.53 H new ATOM 0 HB2 LYS A 30 -10.661 8.847 -33.701 1.00 11.23 H new ATOM 0 HB3 LYS A 30 -9.144 8.434 -32.927 1.00 11.23 H new ATOM 0 HG2 LYS A 30 -9.318 6.461 -34.063 1.00 43.21 H new ATOM 0 HG3 LYS A 30 -10.460 6.007 -32.813 1.00 43.21 H new ATOM 0 HD2 LYS A 30 -11.981 5.740 -34.483 1.00 1.32 H new ATOM 0 HD3 LYS A 30 -12.054 7.489 -34.559 1.00 1.32 H new ATOM 0 HE2 LYS A 30 -9.818 7.068 -36.079 1.00 41.23 H new ATOM 0 HE3 LYS A 30 -10.664 5.564 -36.388 1.00 41.23 H new ATOM 0 HZ1 LYS A 30 -11.289 7.263 -37.975 1.00 63.21 H new ATOM 0 HZ2 LYS A 30 -12.629 6.832 -37.025 1.00 63.21 H new ATOM 0 HZ3 LYS A 30 -11.810 8.288 -36.726 1.00 63.21 H new ATOM 455 N SER A 31 -12.491 6.553 -30.970 1.00 64.11 N ATOM 456 CA SER A 31 -13.803 5.935 -30.885 1.00 52.53 C ATOM 457 C SER A 31 -14.475 6.313 -29.563 1.00 42.45 C ATOM 458 O SER A 31 -15.668 6.080 -29.380 1.00 74.34 O ATOM 459 CB SER A 31 -13.706 4.414 -31.015 1.00 44.21 C ATOM 460 OG SER A 31 -14.887 3.850 -31.577 1.00 72.50 O ATOM 0 H SER A 31 -11.753 6.058 -30.468 1.00 64.11 H new ATOM 0 HA SER A 31 -14.409 6.305 -31.712 1.00 52.53 H new ATOM 0 HB2 SER A 31 -12.850 4.157 -31.638 1.00 44.21 H new ATOM 0 HB3 SER A 31 -13.528 3.977 -30.033 1.00 44.21 H new ATOM 0 HG SER A 31 -14.785 2.878 -31.645 1.00 72.50 H new ATOM 466 N ILE A 32 -13.679 6.891 -28.676 1.00 45.31 N ATOM 467 CA ILE A 32 -14.181 7.304 -27.377 1.00 21.24 C ATOM 468 C ILE A 32 -14.468 8.806 -27.399 1.00 51.52 C ATOM 469 O ILE A 32 -15.476 9.258 -26.857 1.00 25.23 O ATOM 470 CB ILE A 32 -13.215 6.879 -26.269 1.00 44.10 C ATOM 471 CG1 ILE A 32 -12.434 5.626 -26.673 1.00 15.23 C ATOM 472 CG2 ILE A 32 -13.951 6.693 -24.941 1.00 23.32 C ATOM 473 CD1 ILE A 32 -11.430 5.232 -25.588 1.00 13.33 C ATOM 0 H ILE A 32 -12.689 7.083 -28.831 1.00 45.31 H new ATOM 0 HA ILE A 32 -15.123 6.802 -27.157 1.00 21.24 H new ATOM 0 HB ILE A 32 -12.488 7.678 -26.124 1.00 44.10 H new ATOM 0 HG12 ILE A 32 -13.126 4.803 -26.849 1.00 15.23 H new ATOM 0 HG13 ILE A 32 -11.909 5.807 -27.611 1.00 15.23 H new ATOM 0 HG21 ILE A 32 -13.241 6.391 -24.171 1.00 23.32 H new ATOM 0 HG22 ILE A 32 -14.423 7.632 -24.652 1.00 23.32 H new ATOM 0 HG23 ILE A 32 -14.714 5.923 -25.053 1.00 23.32 H new ATOM 0 HD11 ILE A 32 -10.889 4.339 -25.900 1.00 13.33 H new ATOM 0 HD12 ILE A 32 -10.724 6.048 -25.432 1.00 13.33 H new ATOM 0 HD13 ILE A 32 -11.961 5.028 -24.658 1.00 13.33 H new ATOM 485 N ARG A 33 -13.565 9.540 -28.033 1.00 24.32 N ATOM 486 CA ARG A 33 -13.708 10.982 -28.133 1.00 52.23 C ATOM 487 C ARG A 33 -13.595 11.625 -26.749 1.00 64.43 C ATOM 488 O ARG A 33 -13.948 12.789 -26.571 1.00 12.12 O ATOM 489 CB ARG A 33 -15.055 11.360 -28.754 1.00 64.43 C ATOM 490 CG ARG A 33 -14.913 11.618 -30.256 1.00 23.23 C ATOM 491 CD ARG A 33 -13.764 12.588 -30.539 1.00 52.20 C ATOM 492 NE ARG A 33 -13.681 13.602 -29.464 1.00 21.43 N ATOM 493 CZ ARG A 33 -13.311 14.885 -29.660 1.00 54.12 C ATOM 494 NH1 ARG A 33 -12.987 15.323 -30.895 1.00 53.43 N ATOM 495 NH2 ARG A 33 -13.272 15.705 -28.627 1.00 4.15 N ATOM 0 H ARG A 33 -12.731 9.162 -28.483 1.00 24.32 H new ATOM 0 HA ARG A 33 -12.908 11.350 -28.775 1.00 52.23 H new ATOM 0 HB2 ARG A 33 -15.775 10.559 -28.585 1.00 64.43 H new ATOM 0 HB3 ARG A 33 -15.448 12.251 -28.264 1.00 64.43 H new ATOM 0 HG2 ARG A 33 -14.735 10.676 -30.775 1.00 23.23 H new ATOM 0 HG3 ARG A 33 -15.844 12.027 -30.648 1.00 23.23 H new ATOM 0 HD2 ARG A 33 -12.824 12.041 -30.607 1.00 52.20 H new ATOM 0 HD3 ARG A 33 -13.919 13.077 -31.501 1.00 52.20 H new ATOM 0 HE ARG A 33 -13.918 13.313 -28.515 1.00 21.43 H new ATOM 0 HH11 ARG A 33 -13.021 14.683 -31.688 1.00 53.43 H new ATOM 0 HH12 ARG A 33 -12.708 16.294 -31.035 1.00 53.43 H new ATOM 0 HH21 ARG A 33 -13.519 15.366 -27.697 1.00 4.15 H new ATOM 0 HH22 ARG A 33 -12.994 16.678 -28.758 1.00 4.15 H new TER 508 ARG A 33