USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 267 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 16 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.85) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 104:sc= 0.00507 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 9 16.623 3.009 3.172 1.00 0.00 N ATOM 88 CA ASP A 9 16.633 4.221 3.988 1.00 0.00 C ATOM 89 C ASP A 9 16.687 5.463 3.101 1.00 0.00 C ATOM 90 O ASP A 9 15.835 6.345 3.203 1.00 0.00 O ATOM 91 CB ASP A 9 17.817 4.208 4.959 1.00 0.00 C ATOM 92 CG ASP A 9 17.610 5.138 6.136 1.00 0.00 C ATOM 93 OD1 ASP A 9 16.548 5.044 6.788 1.00 0.00 O ATOM 94 OD2 ASP A 9 18.509 5.959 6.404 1.00 0.00 O ATOM 0 HA ASP A 9 15.711 4.249 4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.972 3.193 5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.723 4.497 4.426 1.00 0.00 H new ATOM 99 N VAL A 10 17.683 5.519 2.212 1.00 0.00 N ATOM 100 CA VAL A 10 17.821 6.647 1.296 1.00 0.00 C ATOM 101 C VAL A 10 16.491 6.915 0.581 1.00 0.00 C ATOM 102 O VAL A 10 15.973 8.031 0.625 1.00 0.00 O ATOM 103 CB VAL A 10 18.947 6.421 0.258 1.00 0.00 C ATOM 104 CG1 VAL A 10 18.985 7.553 -0.757 1.00 0.00 C ATOM 105 CG2 VAL A 10 20.295 6.286 0.952 1.00 0.00 C ATOM 0 H VAL A 10 18.399 4.800 2.110 1.00 0.00 H new ATOM 0 HA VAL A 10 18.095 7.518 1.892 1.00 0.00 H new ATOM 0 HB VAL A 10 18.735 5.493 -0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 10 19.784 7.371 -1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.031 7.604 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.167 8.497 -0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 10 21.074 6.128 0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 10 20.509 7.196 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 10 20.269 5.437 1.635 1.00 0.00 H new ATOM 115 N PRO A 11 15.898 5.885 -0.069 1.00 0.00 N ATOM 116 CA PRO A 11 14.620 6.025 -0.759 1.00 0.00 C ATOM 117 C PRO A 11 13.429 5.803 0.154 1.00 0.00 C ATOM 118 O PRO A 11 12.459 5.134 -0.214 1.00 0.00 O ATOM 119 CB PRO A 11 14.700 4.944 -1.824 1.00 0.00 C ATOM 120 CG PRO A 11 15.510 3.855 -1.200 1.00 0.00 C ATOM 121 CD PRO A 11 16.413 4.506 -0.176 1.00 0.00 C ATOM 0 HA PRO A 11 14.469 7.030 -1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.708 4.589 -2.103 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.172 5.318 -2.733 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.863 3.115 -0.729 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.097 3.331 -1.954 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.368 3.988 0.782 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.455 4.493 -0.497 1.00 0.00 H new ATOM 129 N ILE A 12 13.491 6.397 1.335 1.00 0.00 N ATOM 130 CA ILE A 12 12.406 6.285 2.286 1.00 0.00 C ATOM 131 C ILE A 12 11.142 6.939 1.726 1.00 0.00 C ATOM 132 O ILE A 12 10.025 6.573 2.095 1.00 0.00 O ATOM 133 CB ILE A 12 12.794 6.893 3.658 1.00 0.00 C ATOM 134 CG1 ILE A 12 13.332 5.791 4.578 1.00 0.00 C ATOM 135 CG2 ILE A 12 11.622 7.627 4.305 1.00 0.00 C ATOM 136 CD1 ILE A 12 12.383 5.384 5.688 1.00 0.00 C ATOM 0 H ILE A 12 14.280 6.959 1.654 1.00 0.00 H new ATOM 0 HA ILE A 12 12.201 5.227 2.449 1.00 0.00 H new ATOM 0 HB ILE A 12 13.577 7.633 3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.565 4.913 3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.268 6.130 5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.935 8.038 5.265 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.295 8.437 3.653 1.00 0.00 H new ATOM 0 HG23 ILE A 12 10.798 6.931 4.460 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.842 4.600 6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.168 6.247 6.318 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.455 5.011 5.255 1.00 0.00 H new ATOM 148 N GLY A 13 11.323 7.877 0.795 1.00 0.00 N ATOM 149 CA GLY A 13 10.184 8.526 0.172 1.00 0.00 C ATOM 150 C GLY A 13 9.426 7.569 -0.722 1.00 0.00 C ATOM 151 O GLY A 13 8.200 7.634 -0.816 1.00 0.00 O ATOM 0 H GLY A 13 12.234 8.196 0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.517 8.913 0.943 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.525 9.380 -0.413 1.00 0.00 H new ATOM 155 N LEU A 14 10.164 6.655 -1.358 1.00 0.00 N ATOM 156 CA LEU A 14 9.561 5.651 -2.238 1.00 0.00 C ATOM 157 C LEU A 14 8.588 4.772 -1.456 1.00 0.00 C ATOM 158 O LEU A 14 7.553 4.354 -1.980 1.00 0.00 O ATOM 159 CB LEU A 14 10.644 4.782 -2.896 1.00 0.00 C ATOM 160 CG LEU A 14 11.849 5.536 -3.470 1.00 0.00 C ATOM 161 CD1 LEU A 14 12.655 4.628 -4.382 1.00 0.00 C ATOM 162 CD2 LEU A 14 11.402 6.778 -4.227 1.00 0.00 C ATOM 0 H LEU A 14 11.179 6.590 -1.280 1.00 0.00 H new ATOM 0 HA LEU A 14 9.012 6.173 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.006 4.066 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.183 4.207 -3.699 1.00 0.00 H new ATOM 0 HG LEU A 14 12.480 5.850 -2.639 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.507 5.178 -4.782 1.00 0.00 H new ATOM 0 HD12 LEU A 14 13.011 3.767 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.026 4.286 -5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.275 7.296 -4.625 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.747 6.487 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.863 7.442 -3.551 1.00 0.00 H new ATOM 174 N LEU A 15 8.918 4.514 -0.194 1.00 0.00 N ATOM 175 CA LEU A 15 8.063 3.701 0.670 1.00 0.00 C ATOM 176 C LEU A 15 7.080 4.574 1.450 1.00 0.00 C ATOM 177 O LEU A 15 5.978 4.130 1.776 1.00 0.00 O ATOM 178 CB LEU A 15 8.904 2.839 1.622 1.00 0.00 C ATOM 179 CG LEU A 15 9.809 3.610 2.581 1.00 0.00 C ATOM 180 CD1 LEU A 15 9.056 3.984 3.848 1.00 0.00 C ATOM 181 CD2 LEU A 15 11.048 2.797 2.917 1.00 0.00 C ATOM 0 H LEU A 15 9.769 4.854 0.254 1.00 0.00 H new ATOM 0 HA LEU A 15 7.484 3.033 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.231 2.214 2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.523 2.168 1.026 1.00 0.00 H new ATOM 0 HG LEU A 15 10.124 4.529 2.087 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.719 4.532 4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.201 4.609 3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.707 3.079 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.680 3.363 3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.752 1.860 3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.602 2.584 2.003 1.00 0.00 H new ATOM 193 N GLN A 16 7.462 5.826 1.717 1.00 0.00 N ATOM 194 CA GLN A 16 6.595 6.755 2.420 1.00 0.00 C ATOM 195 C GLN A 16 5.385 7.059 1.548 1.00 0.00 C ATOM 196 O GLN A 16 4.256 7.135 2.031 1.00 0.00 O ATOM 197 CB GLN A 16 7.345 8.049 2.760 1.00 0.00 C ATOM 198 CG GLN A 16 8.168 7.965 4.040 1.00 0.00 C ATOM 199 CD GLN A 16 7.322 7.802 5.290 1.00 0.00 C ATOM 200 OE1 GLN A 16 6.165 8.213 5.335 1.00 0.00 O ATOM 201 NE2 GLN A 16 7.899 7.199 6.320 1.00 0.00 N ATOM 0 H GLN A 16 8.368 6.213 1.454 1.00 0.00 H new ATOM 0 HA GLN A 16 6.269 6.302 3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.005 8.304 1.931 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.624 8.861 2.855 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.858 7.125 3.965 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.773 8.867 4.134 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.862 6.871 6.245 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.380 7.063 7.187 1.00 0.00 H new ATOM 210 N ILE A 17 5.634 7.198 0.244 1.00 0.00 N ATOM 211 CA ILE A 17 4.568 7.461 -0.720 1.00 0.00 C ATOM 212 C ILE A 17 3.461 6.423 -0.589 1.00 0.00 C ATOM 213 O ILE A 17 2.272 6.763 -0.618 1.00 0.00 O ATOM 214 CB ILE A 17 5.109 7.465 -2.164 1.00 0.00 C ATOM 215 CG1 ILE A 17 6.008 8.685 -2.380 1.00 0.00 C ATOM 216 CG2 ILE A 17 3.968 7.439 -3.176 1.00 0.00 C ATOM 217 CD1 ILE A 17 5.336 9.825 -3.116 1.00 0.00 C ATOM 0 H ILE A 17 6.565 7.132 -0.167 1.00 0.00 H new ATOM 0 HA ILE A 17 4.161 8.448 -0.501 1.00 0.00 H new ATOM 0 HB ILE A 17 5.702 6.563 -2.317 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.352 9.045 -1.411 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.892 8.377 -2.938 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.377 7.442 -4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.372 6.538 -3.029 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.338 8.318 -3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.039 10.650 -3.228 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.016 9.484 -4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.468 10.163 -2.549 1.00 0.00 H new ATOM 229 N LEU A 18 3.859 5.163 -0.410 1.00 0.00 N ATOM 230 CA LEU A 18 2.900 4.073 -0.239 1.00 0.00 C ATOM 231 C LEU A 18 2.033 4.280 1.011 1.00 0.00 C ATOM 232 O LEU A 18 1.049 3.569 1.213 1.00 0.00 O ATOM 233 CB LEU A 18 3.630 2.729 -0.156 1.00 0.00 C ATOM 234 CG LEU A 18 4.370 2.309 -1.427 1.00 0.00 C ATOM 235 CD1 LEU A 18 5.550 1.414 -1.087 1.00 0.00 C ATOM 236 CD2 LEU A 18 3.425 1.600 -2.382 1.00 0.00 C ATOM 0 H LEU A 18 4.836 4.873 -0.380 1.00 0.00 H new ATOM 0 HA LEU A 18 2.243 4.070 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.346 2.773 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.905 1.955 0.095 1.00 0.00 H new ATOM 0 HG LEU A 18 4.748 3.206 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.064 1.126 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.240 1.953 -0.438 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.193 0.521 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.968 1.308 -3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.018 0.711 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.610 2.271 -2.652 1.00 0.00 H new ATOM 248 N LEU A 19 2.392 5.263 1.840 1.00 0.00 N ATOM 249 CA LEU A 19 1.633 5.567 3.050 1.00 0.00 C ATOM 250 C LEU A 19 1.171 7.028 3.057 1.00 0.00 C ATOM 251 O LEU A 19 0.530 7.475 4.013 1.00 0.00 O ATOM 252 CB LEU A 19 2.465 5.272 4.306 1.00 0.00 C ATOM 253 CG LEU A 19 3.488 4.138 4.176 1.00 0.00 C ATOM 254 CD1 LEU A 19 4.830 4.560 4.753 1.00 0.00 C ATOM 255 CD2 LEU A 19 2.985 2.884 4.870 1.00 0.00 C ATOM 0 H LEU A 19 3.205 5.861 1.693 1.00 0.00 H new ATOM 0 HA LEU A 19 0.752 4.926 3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.993 6.182 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.784 5.030 5.122 1.00 0.00 H new ATOM 0 HG LEU A 19 3.621 3.917 3.117 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.543 3.742 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.200 5.432 4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.711 4.809 5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.724 2.090 4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.822 3.094 5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.047 2.567 4.414 1.00 0.00 H new ATOM 267 N GLU A 20 1.500 7.769 1.994 1.00 0.00 N ATOM 268 CA GLU A 20 1.122 9.167 1.883 1.00 0.00 C ATOM 269 C GLU A 20 -0.021 9.357 0.898 1.00 0.00 C ATOM 270 O GLU A 20 -1.062 9.918 1.245 1.00 0.00 O ATOM 271 CB GLU A 20 2.328 9.999 1.451 1.00 0.00 C ATOM 272 CG GLU A 20 3.218 10.420 2.607 1.00 0.00 C ATOM 273 CD GLU A 20 3.350 11.925 2.731 1.00 0.00 C ATOM 274 OE1 GLU A 20 2.510 12.537 3.423 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.291 12.490 2.135 1.00 0.00 O ATOM 0 H GLU A 20 2.030 7.414 1.198 1.00 0.00 H new ATOM 0 HA GLU A 20 0.780 9.503 2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.919 9.424 0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.977 10.890 0.930 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.813 10.018 3.536 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.208 9.983 2.475 1.00 0.00 H new ATOM 282 N GLN A 21 0.164 8.874 -0.327 1.00 0.00 N ATOM 283 CA GLN A 21 -0.875 8.992 -1.344 1.00 0.00 C ATOM 284 C GLN A 21 -1.672 7.702 -1.468 1.00 0.00 C ATOM 285 O GLN A 21 -2.632 7.626 -2.236 1.00 0.00 O ATOM 286 CB GLN A 21 -0.273 9.403 -2.691 1.00 0.00 C ATOM 287 CG GLN A 21 0.390 8.263 -3.448 1.00 0.00 C ATOM 288 CD GLN A 21 0.110 8.314 -4.939 1.00 0.00 C ATOM 289 OE1 GLN A 21 -1.043 8.264 -5.369 1.00 0.00 O ATOM 290 NE2 GLN A 21 1.164 8.422 -5.737 1.00 0.00 N ATOM 0 H GLN A 21 1.014 8.402 -0.637 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.565 9.776 -1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.060 9.829 -3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.462 10.190 -2.523 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.467 8.299 -3.282 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.038 7.312 -3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.103 8.460 -5.340 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.036 8.467 -6.748 1.00 0.00 H new ATOM 299 N ALA A 22 -1.298 6.708 -0.673 1.00 0.00 N ATOM 300 CA ALA A 22 -2.012 5.442 -0.666 1.00 0.00 C ATOM 301 C ALA A 22 -3.145 5.481 0.359 1.00 0.00 C ATOM 302 O ALA A 22 -4.026 4.629 0.346 1.00 0.00 O ATOM 303 CB ALA A 22 -1.066 4.287 -0.384 1.00 0.00 C ATOM 0 H ALA A 22 -0.509 6.755 -0.029 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.444 5.284 -1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.624 3.351 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.296 4.250 -1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.597 4.430 0.590 1.00 0.00 H new ATOM 309 N ARG A 23 -3.131 6.491 1.235 1.00 0.00 N ATOM 310 CA ARG A 23 -4.173 6.640 2.249 1.00 0.00 C ATOM 311 C ARG A 23 -5.557 6.659 1.601 1.00 0.00 C ATOM 312 O ARG A 23 -6.360 5.750 1.804 1.00 0.00 O ATOM 313 CB ARG A 23 -3.953 7.923 3.059 1.00 0.00 C ATOM 314 CG ARG A 23 -2.587 8.007 3.725 1.00 0.00 C ATOM 315 CD ARG A 23 -2.512 7.146 4.975 1.00 0.00 C ATOM 316 NE ARG A 23 -1.232 7.330 5.666 1.00 0.00 N ATOM 317 CZ ARG A 23 -1.074 7.344 6.985 1.00 0.00 C ATOM 318 NH1 ARG A 23 -2.095 7.133 7.795 1.00 0.00 N ATOM 319 NH2 ARG A 23 0.124 7.559 7.492 1.00 0.00 N ATOM 0 H ARG A 23 -2.411 7.213 1.260 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.117 5.785 2.923 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.078 8.782 2.400 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.725 7.994 3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.819 7.690 3.019 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.373 9.044 3.985 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.332 7.402 5.647 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.636 6.097 4.706 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.400 7.457 5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.023 6.956 7.410 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.956 7.147 8.805 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.920 7.713 6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.255 7.572 8.503 1.00 0.00 H new ATOM 333 N ALA A 24 -5.823 7.697 0.807 1.00 0.00 N ATOM 334 CA ALA A 24 -7.109 7.828 0.118 1.00 0.00 C ATOM 335 C ALA A 24 -7.234 6.875 -1.068 1.00 0.00 C ATOM 336 O ALA A 24 -8.305 6.773 -1.677 1.00 0.00 O ATOM 337 CB ALA A 24 -7.337 9.274 -0.311 1.00 0.00 C ATOM 0 H ALA A 24 -5.168 8.457 0.625 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.888 7.546 0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.297 9.355 -0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.338 9.918 0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.539 9.583 -0.987 1.00 0.00 H new ATOM 343 N ARG A 25 -6.154 6.168 -1.389 1.00 0.00 N ATOM 344 CA ARG A 25 -6.166 5.218 -2.480 1.00 0.00 C ATOM 345 C ARG A 25 -6.456 3.817 -1.952 1.00 0.00 C ATOM 346 O ARG A 25 -7.273 3.088 -2.509 1.00 0.00 O ATOM 347 CB ARG A 25 -4.824 5.267 -3.196 1.00 0.00 C ATOM 348 CG ARG A 25 -4.909 5.833 -4.601 1.00 0.00 C ATOM 349 CD ARG A 25 -4.345 7.243 -4.662 1.00 0.00 C ATOM 350 NE ARG A 25 -5.124 8.200 -3.856 1.00 0.00 N ATOM 351 CZ ARG A 25 -5.042 9.519 -3.993 1.00 0.00 C ATOM 352 NH1 ARG A 25 -4.182 10.052 -4.843 1.00 0.00 N ATOM 353 NH2 ARG A 25 -5.804 10.305 -3.261 1.00 0.00 N ATOM 0 H ARG A 25 -5.260 6.241 -0.903 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.953 5.476 -3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.131 5.871 -2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.409 4.260 -3.243 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.361 5.189 -5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.948 5.840 -4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.313 7.233 -4.311 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.326 7.578 -5.699 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.763 7.828 -3.153 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.575 9.450 -5.400 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.125 11.066 -4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.457 9.901 -2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.741 11.318 -3.366 1.00 0.00 H new ATOM 367 N ALA A 26 -5.801 3.468 -0.856 1.00 0.00 N ATOM 368 CA ALA A 26 -5.994 2.177 -0.216 1.00 0.00 C ATOM 369 C ALA A 26 -7.262 2.177 0.637 1.00 0.00 C ATOM 370 O ALA A 26 -7.816 1.118 0.916 1.00 0.00 O ATOM 371 CB ALA A 26 -4.778 1.825 0.629 1.00 0.00 C ATOM 0 H ALA A 26 -5.123 4.069 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.111 1.420 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.933 0.856 1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.894 1.780 -0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.635 2.586 1.396 1.00 0.00 H new ATOM 377 N ALA A 27 -7.736 3.362 1.040 1.00 0.00 N ATOM 378 CA ALA A 27 -8.945 3.449 1.846 1.00 0.00 C ATOM 379 C ALA A 27 -10.143 2.889 1.089 1.00 0.00 C ATOM 380 O ALA A 27 -11.035 2.284 1.684 1.00 0.00 O ATOM 381 CB ALA A 27 -9.201 4.885 2.288 1.00 0.00 C ATOM 0 H ALA A 27 -7.303 4.259 0.821 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.800 2.843 2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.110 4.924 2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.358 5.239 2.882 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.319 5.520 1.410 1.00 0.00 H new ATOM 387 N ARG A 28 -10.144 3.067 -0.232 1.00 0.00 N ATOM 388 CA ARG A 28 -11.231 2.545 -1.062 1.00 0.00 C ATOM 389 C ARG A 28 -11.038 1.057 -1.350 1.00 0.00 C ATOM 390 O ARG A 28 -11.963 0.374 -1.790 1.00 0.00 O ATOM 391 CB ARG A 28 -11.322 3.311 -2.383 1.00 0.00 C ATOM 392 CG ARG A 28 -10.197 2.982 -3.352 1.00 0.00 C ATOM 393 CD ARG A 28 -10.011 4.080 -4.383 1.00 0.00 C ATOM 394 NE ARG A 28 -9.681 5.358 -3.752 1.00 0.00 N ATOM 395 CZ ARG A 28 -9.929 6.546 -4.284 1.00 0.00 C ATOM 396 NH1 ARG A 28 -10.461 6.652 -5.487 1.00 0.00 N ATOM 397 NH2 ARG A 28 -9.623 7.629 -3.608 1.00 0.00 N ATOM 0 H ARG A 28 -9.415 3.562 -0.746 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.159 2.679 -0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.277 3.088 -2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.311 4.381 -2.175 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.269 2.840 -2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.414 2.041 -3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.217 3.799 -5.076 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.923 4.188 -4.970 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.228 5.333 -2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.687 5.813 -6.020 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.646 7.573 -5.883 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.199 7.550 -2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.809 8.549 -4.007 1.00 0.00 H new ATOM 411 N GLU A 29 -9.831 0.568 -1.106 1.00 0.00 N ATOM 412 CA GLU A 29 -9.511 -0.827 -1.347 1.00 0.00 C ATOM 413 C GLU A 29 -9.510 -1.626 -0.051 1.00 0.00 C ATOM 414 O GLU A 29 -9.949 -2.773 -0.027 1.00 0.00 O ATOM 415 CB GLU A 29 -8.157 -0.923 -2.046 1.00 0.00 C ATOM 416 CG GLU A 29 -8.277 -1.231 -3.532 1.00 0.00 C ATOM 417 CD GLU A 29 -7.460 -2.435 -3.957 1.00 0.00 C ATOM 418 OE1 GLU A 29 -6.260 -2.264 -4.255 1.00 0.00 O ATOM 419 OE2 GLU A 29 -8.025 -3.550 -3.995 1.00 0.00 O ATOM 0 H GLU A 29 -9.056 1.121 -0.740 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.278 -1.257 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.620 0.017 -1.917 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.561 -1.699 -1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.325 -1.405 -3.778 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.956 -0.361 -4.105 1.00 0.00 H new ATOM 426 N GLN A 30 -9.032 -1.009 1.023 1.00 0.00 N ATOM 427 CA GLN A 30 -8.980 -1.653 2.331 1.00 0.00 C ATOM 428 C GLN A 30 -10.354 -2.168 2.755 1.00 0.00 C ATOM 429 O GLN A 30 -10.462 -3.203 3.412 1.00 0.00 O ATOM 430 CB GLN A 30 -8.439 -0.675 3.373 1.00 0.00 C ATOM 431 CG GLN A 30 -6.970 -0.894 3.693 1.00 0.00 C ATOM 432 CD GLN A 30 -6.698 -0.918 5.181 1.00 0.00 C ATOM 433 OE1 GLN A 30 -6.353 -1.950 5.748 1.00 0.00 O ATOM 434 NE2 GLN A 30 -6.851 0.226 5.827 1.00 0.00 N ATOM 0 H GLN A 30 -8.672 -0.055 1.013 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.311 -2.510 2.259 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.578 0.344 3.012 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.022 -0.771 4.289 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.642 -1.835 3.252 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.379 -0.103 3.232 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.139 1.063 5.320 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.681 0.271 6.832 1.00 0.00 H new ATOM 443 N ALA A 31 -11.398 -1.440 2.369 1.00 0.00 N ATOM 444 CA ALA A 31 -12.769 -1.820 2.702 1.00 0.00 C ATOM 445 C ALA A 31 -13.309 -2.872 1.737 1.00 0.00 C ATOM 446 O ALA A 31 -13.997 -3.812 2.143 1.00 0.00 O ATOM 447 CB ALA A 31 -13.666 -0.588 2.715 1.00 0.00 C ATOM 0 H ALA A 31 -11.321 -0.581 1.824 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.764 -2.263 3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.685 -0.883 2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.301 0.120 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.654 -0.119 1.731 1.00 0.00 H new ATOM 453 N THR A 32 -12.985 -2.705 0.463 1.00 0.00 N ATOM 454 CA THR A 32 -13.427 -3.634 -0.578 1.00 0.00 C ATOM 455 C THR A 32 -12.588 -4.907 -0.576 1.00 0.00 C ATOM 456 O THR A 32 -13.132 -6.008 -0.583 1.00 0.00 O ATOM 457 CB THR A 32 -13.374 -2.966 -1.958 1.00 0.00 C ATOM 458 OG1 THR A 32 -14.310 -1.908 -2.039 1.00 0.00 O ATOM 459 CG2 THR A 32 -13.668 -3.914 -3.101 1.00 0.00 C ATOM 0 H THR A 32 -12.415 -1.932 0.120 1.00 0.00 H new ATOM 0 HA THR A 32 -14.459 -3.908 -0.360 1.00 0.00 H new ATOM 0 HB THR A 32 -12.350 -2.605 -2.058 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.841 -1.050 -1.968 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.613 -3.373 -4.046 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.936 -4.721 -3.102 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.668 -4.331 -2.980 1.00 0.00 H new ATOM 467 N THR A 33 -11.262 -4.759 -0.556 1.00 0.00 N ATOM 468 CA THR A 33 -10.366 -5.916 -0.547 1.00 0.00 C ATOM 469 C THR A 33 -10.665 -6.828 0.643 1.00 0.00 C ATOM 470 O THR A 33 -10.699 -8.050 0.498 1.00 0.00 O ATOM 471 CB THR A 33 -8.893 -5.484 -0.541 1.00 0.00 C ATOM 472 OG1 THR A 33 -8.075 -6.533 -1.027 1.00 0.00 O ATOM 473 CG2 THR A 33 -8.365 -5.094 0.825 1.00 0.00 C ATOM 0 H THR A 33 -10.788 -3.856 -0.546 1.00 0.00 H new ATOM 0 HA THR A 33 -10.545 -6.478 -1.464 1.00 0.00 H new ATOM 0 HB THR A 33 -8.854 -4.602 -1.180 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.138 -6.247 -1.021 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.318 -4.802 0.741 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.945 -4.257 1.214 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.452 -5.942 1.504 1.00 0.00 H new ATOM 481 N ASN A 34 -10.917 -6.228 1.813 1.00 0.00 N ATOM 482 CA ASN A 34 -11.245 -6.992 3.009 1.00 0.00 C ATOM 483 C ASN A 34 -12.441 -7.899 2.725 1.00 0.00 C ATOM 484 O ASN A 34 -12.366 -9.119 2.893 1.00 0.00 O ATOM 485 CB ASN A 34 -11.552 -6.037 4.164 1.00 0.00 C ATOM 486 CG ASN A 34 -10.781 -6.375 5.423 1.00 0.00 C ATOM 487 OD1 ASN A 34 -10.847 -7.493 5.924 1.00 0.00 O ATOM 488 ND2 ASN A 34 -10.043 -5.405 5.944 1.00 0.00 N ATOM 0 H ASN A 34 -10.899 -5.217 1.950 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.395 -7.614 3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.314 -5.018 3.860 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.620 -6.065 4.379 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -9.503 -5.575 6.792 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.015 -4.489 5.496 1.00 0.00 H new ATOM 495 N ALA A 35 -13.532 -7.292 2.255 1.00 0.00 N ATOM 496 CA ALA A 35 -14.730 -8.036 1.904 1.00 0.00 C ATOM 497 C ALA A 35 -14.461 -8.940 0.705 1.00 0.00 C ATOM 498 O ALA A 35 -15.012 -10.026 0.611 1.00 0.00 O ATOM 499 CB ALA A 35 -15.889 -7.085 1.626 1.00 0.00 C ATOM 0 H ALA A 35 -13.605 -6.285 2.110 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.009 -8.667 2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -16.777 -7.660 1.365 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -16.092 -6.489 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -15.628 -6.425 0.799 1.00 0.00 H new ATOM 505 N ARG A 36 -13.584 -8.496 -0.194 1.00 0.00 N ATOM 506 CA ARG A 36 -13.216 -9.275 -1.368 1.00 0.00 C ATOM 507 C ARG A 36 -12.569 -10.594 -0.955 1.00 0.00 C ATOM 508 O ARG A 36 -12.768 -11.623 -1.592 1.00 0.00 O ATOM 509 CB ARG A 36 -12.248 -8.474 -2.226 1.00 0.00 C ATOM 510 CG ARG A 36 -12.930 -7.531 -3.202 1.00 0.00 C ATOM 511 CD ARG A 36 -12.325 -7.636 -4.589 1.00 0.00 C ATOM 512 NE ARG A 36 -10.935 -7.177 -4.602 1.00 0.00 N ATOM 513 CZ ARG A 36 -10.218 -6.992 -5.706 1.00 0.00 C ATOM 514 NH1 ARG A 36 -10.732 -7.263 -6.891 1.00 0.00 N ATOM 515 NH2 ARG A 36 -8.983 -6.536 -5.623 1.00 0.00 N ATOM 0 H ARG A 36 -13.114 -7.593 -0.128 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.117 -9.495 -1.940 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.592 -7.896 -1.575 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.615 -9.164 -2.784 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.994 -7.762 -3.249 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.842 -6.506 -2.842 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.371 -8.670 -4.930 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.912 -7.042 -5.290 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.487 -6.987 -3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.686 -7.617 -6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.175 -7.118 -7.733 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.577 -6.325 -4.711 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.434 -6.394 -6.471 1.00 0.00 H new ATOM 529 N ILE A 37 -11.792 -10.559 0.119 1.00 0.00 N ATOM 530 CA ILE A 37 -11.129 -11.764 0.608 1.00 0.00 C ATOM 531 C ILE A 37 -12.153 -12.807 1.049 1.00 0.00 C ATOM 532 O ILE A 37 -12.021 -13.990 0.732 1.00 0.00 O ATOM 533 CB ILE A 37 -10.166 -11.451 1.773 1.00 0.00 C ATOM 534 CG1 ILE A 37 -9.034 -10.546 1.290 1.00 0.00 C ATOM 535 CG2 ILE A 37 -9.603 -12.736 2.369 1.00 0.00 C ATOM 536 CD1 ILE A 37 -8.116 -10.074 2.395 1.00 0.00 C ATOM 0 H ILE A 37 -11.605 -9.718 0.665 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.544 -12.167 -0.219 1.00 0.00 H new ATOM 0 HB ILE A 37 -10.724 -10.931 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.445 -11.082 0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.464 -9.677 0.791 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.927 -12.491 3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -10.420 -13.352 2.745 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -9.058 -13.285 1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.338 -9.437 1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.691 -9.509 3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.657 -10.936 2.879 1.00 0.00 H new ATOM 548 N LEU A 38 -13.176 -12.357 1.769 1.00 0.00 N ATOM 549 CA LEU A 38 -14.234 -13.246 2.246 1.00 0.00 C ATOM 550 C LEU A 38 -15.424 -13.294 1.273 1.00 0.00 C ATOM 551 O LEU A 38 -16.328 -14.113 1.437 1.00 0.00 O ATOM 552 CB LEU A 38 -14.709 -12.800 3.635 1.00 0.00 C ATOM 553 CG LEU A 38 -15.431 -11.451 3.677 1.00 0.00 C ATOM 554 CD1 LEU A 38 -16.892 -11.638 4.047 1.00 0.00 C ATOM 555 CD2 LEU A 38 -14.750 -10.516 4.662 1.00 0.00 C ATOM 0 H LEU A 38 -13.296 -11.380 2.036 1.00 0.00 H new ATOM 0 HA LEU A 38 -13.817 -14.251 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -15.376 -13.563 4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.845 -12.752 4.298 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.383 -11.004 2.684 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.388 -10.668 4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.376 -12.275 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -16.962 -12.106 5.029 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.275 -9.561 4.680 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.769 -10.960 5.657 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.716 -10.356 4.356 1.00 0.00 H new ATOM 567 N ALA A 39 -15.424 -12.414 0.267 1.00 0.00 N ATOM 568 CA ALA A 39 -16.501 -12.359 -0.714 1.00 0.00 C ATOM 569 C ALA A 39 -16.007 -11.777 -2.041 1.00 0.00 C ATOM 570 O ALA A 39 -16.526 -10.775 -2.537 1.00 0.00 O ATOM 571 CB ALA A 39 -17.670 -11.550 -0.164 1.00 0.00 C ATOM 0 H ALA A 39 -14.684 -11.729 0.114 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.844 -13.375 -0.908 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.469 -11.515 -0.905 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.040 -12.019 0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.338 -10.536 0.059 1.00 0.00 H new ATOM 577 N ARG A 40 -14.979 -12.411 -2.596 1.00 0.00 N ATOM 578 CA ARG A 40 -14.373 -11.977 -3.853 1.00 0.00 C ATOM 579 C ARG A 40 -15.368 -12.008 -5.018 1.00 0.00 C ATOM 580 O ARG A 40 -15.240 -11.237 -5.971 1.00 0.00 O ATOM 581 CB ARG A 40 -13.152 -12.848 -4.172 1.00 0.00 C ATOM 582 CG ARG A 40 -11.965 -12.068 -4.717 1.00 0.00 C ATOM 583 CD ARG A 40 -10.719 -12.293 -3.871 1.00 0.00 C ATOM 584 NE ARG A 40 -10.256 -13.684 -3.934 1.00 0.00 N ATOM 585 CZ ARG A 40 -9.391 -14.227 -3.084 1.00 0.00 C ATOM 586 NH1 ARG A 40 -8.869 -13.511 -2.109 1.00 0.00 N ATOM 587 NH2 ARG A 40 -9.049 -15.495 -3.217 1.00 0.00 N ATOM 0 H ARG A 40 -14.542 -13.238 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.060 -10.941 -3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.845 -13.372 -3.267 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.440 -13.608 -4.899 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.769 -12.372 -5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.205 -11.005 -4.739 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.924 -11.630 -4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.931 -12.028 -2.835 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.623 -14.274 -4.681 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.128 -12.530 -2.001 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.206 -13.937 -1.462 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.448 -16.055 -3.970 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.385 -15.915 -2.566 1.00 0.00 H new