USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 325 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 7 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -1.13 K(o=-1.1,f=-1.7) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 123:sc= 0.877 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.177 X(o=0.18,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 4 18.031 1.134 -1.322 1.00 0.00 N ATOM 2 CA ILE A 4 19.393 0.643 -1.670 1.00 0.00 C ATOM 3 C ILE A 4 19.367 -0.842 -2.042 1.00 0.00 C ATOM 4 O ILE A 4 19.566 -1.195 -3.202 1.00 0.00 O ATOM 5 CB ILE A 4 20.387 0.868 -0.505 1.00 0.00 C ATOM 6 CG1 ILE A 4 20.312 2.312 0.004 1.00 0.00 C ATOM 7 CG2 ILE A 4 21.808 0.536 -0.942 1.00 0.00 C ATOM 8 CD1 ILE A 4 20.646 3.348 -1.049 1.00 0.00 C ATOM 0 HA ILE A 4 19.729 1.218 -2.533 1.00 0.00 H new ATOM 0 HB ILE A 4 20.108 0.201 0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 4 19.308 2.503 0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 4 20.997 2.427 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 4 22.492 0.700 -0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 4 21.859 -0.508 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 4 22.091 1.177 -1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 4 20.572 4.345 -0.615 1.00 0.00 H new ATOM 0 HD12 ILE A 4 21.661 3.185 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 4 19.946 3.261 -1.880 1.00 0.00 H new ATOM 22 N VAL A 5 19.109 -1.706 -1.055 1.00 0.00 N ATOM 23 CA VAL A 5 19.050 -3.151 -1.291 1.00 0.00 C ATOM 24 C VAL A 5 17.908 -3.799 -0.504 1.00 0.00 C ATOM 25 O VAL A 5 16.907 -4.218 -1.084 1.00 0.00 O ATOM 26 CB VAL A 5 20.387 -3.844 -0.927 1.00 0.00 C ATOM 27 CG1 VAL A 5 20.292 -5.348 -1.143 1.00 0.00 C ATOM 28 CG2 VAL A 5 21.535 -3.264 -1.739 1.00 0.00 C ATOM 0 H VAL A 5 18.938 -1.430 -0.088 1.00 0.00 H new ATOM 0 HA VAL A 5 18.866 -3.286 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 5 20.585 -3.659 0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 5 21.242 -5.814 -0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 5 19.502 -5.757 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 5 20.064 -5.552 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 5 22.463 -3.766 -1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 5 21.341 -3.412 -2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 5 21.625 -2.198 -1.532 1.00 0.00 H new ATOM 38 N LEU A 6 18.063 -3.881 0.821 1.00 0.00 N ATOM 39 CA LEU A 6 17.044 -4.483 1.681 1.00 0.00 C ATOM 40 C LEU A 6 16.435 -3.455 2.641 1.00 0.00 C ATOM 41 O LEU A 6 15.220 -3.272 2.669 1.00 0.00 O ATOM 42 CB LEU A 6 17.647 -5.651 2.469 1.00 0.00 C ATOM 43 CG LEU A 6 17.237 -7.041 1.981 1.00 0.00 C ATOM 44 CD1 LEU A 6 18.360 -8.038 2.205 1.00 0.00 C ATOM 45 CD2 LEU A 6 15.971 -7.501 2.685 1.00 0.00 C ATOM 0 H LEU A 6 18.884 -3.538 1.319 1.00 0.00 H new ATOM 0 HA LEU A 6 16.243 -4.853 1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 6 18.734 -5.574 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 6 17.359 -5.550 3.515 1.00 0.00 H new ATOM 0 HG LEU A 6 17.036 -6.983 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.050 -9.021 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 6 19.246 -7.718 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 6 18.592 -8.092 3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 6 15.694 -8.492 2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 6 16.147 -7.541 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.163 -6.800 2.475 1.00 0.00 H new ATOM 57 N SER A 7 17.286 -2.792 3.429 1.00 0.00 N ATOM 58 CA SER A 7 16.832 -1.788 4.396 1.00 0.00 C ATOM 59 C SER A 7 15.982 -0.698 3.735 1.00 0.00 C ATOM 60 O SER A 7 14.928 -0.331 4.251 1.00 0.00 O ATOM 61 CB SER A 7 18.036 -1.157 5.099 1.00 0.00 C ATOM 62 OG SER A 7 18.263 -1.759 6.362 1.00 0.00 O ATOM 0 H SER A 7 18.296 -2.933 3.416 1.00 0.00 H new ATOM 0 HA SER A 7 16.204 -2.297 5.128 1.00 0.00 H new ATOM 0 HB2 SER A 7 18.923 -1.267 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.867 -0.088 5.227 1.00 0.00 H new ATOM 0 HG SER A 7 19.038 -1.339 6.790 1.00 0.00 H new ATOM 68 N LEU A 8 16.450 -0.184 2.594 1.00 0.00 N ATOM 69 CA LEU A 8 15.733 0.867 1.858 1.00 0.00 C ATOM 70 C LEU A 8 15.538 2.129 2.710 1.00 0.00 C ATOM 71 O LEU A 8 14.520 2.814 2.599 1.00 0.00 O ATOM 72 CB LEU A 8 14.382 0.336 1.369 1.00 0.00 C ATOM 73 CG LEU A 8 14.462 -0.893 0.461 1.00 0.00 C ATOM 74 CD1 LEU A 8 13.282 -1.815 0.705 1.00 0.00 C ATOM 75 CD2 LEU A 8 14.519 -0.479 -1.002 1.00 0.00 C ATOM 0 H LEU A 8 17.324 -0.478 2.157 1.00 0.00 H new ATOM 0 HA LEU A 8 16.342 1.147 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.770 0.089 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.868 1.133 0.832 1.00 0.00 H new ATOM 0 HG LEU A 8 15.378 -1.433 0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.357 -2.683 0.050 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.286 -2.143 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 8 12.354 -1.282 0.496 1.00 0.00 H new ATOM 0 HD21 LEU A 8 14.576 -1.368 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.623 0.087 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.400 0.141 -1.171 1.00 0.00 H new ATOM 87 N ASP A 9 16.535 2.443 3.544 1.00 0.00 N ATOM 88 CA ASP A 9 16.483 3.629 4.397 1.00 0.00 C ATOM 89 C ASP A 9 16.586 4.905 3.560 1.00 0.00 C ATOM 90 O ASP A 9 15.702 5.760 3.608 1.00 0.00 O ATOM 91 CB ASP A 9 17.609 3.591 5.434 1.00 0.00 C ATOM 92 CG ASP A 9 17.132 3.957 6.824 1.00 0.00 C ATOM 93 OD1 ASP A 9 16.537 5.043 6.979 1.00 0.00 O ATOM 94 OD2 ASP A 9 17.356 3.158 7.755 1.00 0.00 O ATOM 0 H ASP A 9 17.387 1.891 3.645 1.00 0.00 H new ATOM 0 HA ASP A 9 15.524 3.631 4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.046 2.592 5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.399 4.278 5.132 1.00 0.00 H new ATOM 99 N VAL A 10 17.671 5.022 2.784 1.00 0.00 N ATOM 100 CA VAL A 10 17.882 6.191 1.926 1.00 0.00 C ATOM 101 C VAL A 10 16.598 6.555 1.171 1.00 0.00 C ATOM 102 O VAL A 10 16.127 7.691 1.252 1.00 0.00 O ATOM 103 CB VAL A 10 19.035 5.963 0.919 1.00 0.00 C ATOM 104 CG1 VAL A 10 19.163 7.143 -0.033 1.00 0.00 C ATOM 105 CG2 VAL A 10 20.348 5.728 1.651 1.00 0.00 C ATOM 0 H VAL A 10 18.413 4.324 2.734 1.00 0.00 H new ATOM 0 HA VAL A 10 18.159 7.019 2.578 1.00 0.00 H new ATOM 0 HB VAL A 10 18.801 5.074 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 10 19.980 6.960 -0.731 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.232 7.266 -0.587 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.369 8.049 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 10 21.146 5.570 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 10 20.583 6.597 2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 10 20.257 4.848 2.288 1.00 0.00 H new ATOM 115 N PRO A 11 15.990 5.589 0.444 1.00 0.00 N ATOM 116 CA PRO A 11 14.748 5.825 -0.291 1.00 0.00 C ATOM 117 C PRO A 11 13.520 5.792 0.605 1.00 0.00 C ATOM 118 O PRO A 11 12.512 5.154 0.286 1.00 0.00 O ATOM 119 CB PRO A 11 14.722 4.681 -1.295 1.00 0.00 C ATOM 120 CG PRO A 11 15.431 3.564 -0.614 1.00 0.00 C ATOM 121 CD PRO A 11 16.451 4.195 0.300 1.00 0.00 C ATOM 0 HA PRO A 11 14.722 6.814 -0.749 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.700 4.403 -1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.220 4.958 -2.224 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.731 2.949 -0.048 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.914 2.911 -1.341 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.492 3.687 1.263 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.453 4.148 -0.127 1.00 0.00 H new ATOM 129 N ILE A 12 13.601 6.504 1.720 1.00 0.00 N ATOM 130 CA ILE A 12 12.500 6.573 2.651 1.00 0.00 C ATOM 131 C ILE A 12 11.286 7.233 1.997 1.00 0.00 C ATOM 132 O ILE A 12 10.145 6.955 2.362 1.00 0.00 O ATOM 133 CB ILE A 12 12.914 7.310 3.949 1.00 0.00 C ATOM 134 CG1 ILE A 12 13.148 6.288 5.068 1.00 0.00 C ATOM 135 CG2 ILE A 12 11.884 8.359 4.363 1.00 0.00 C ATOM 136 CD1 ILE A 12 12.216 6.428 6.256 1.00 0.00 C ATOM 0 H ILE A 12 14.423 7.041 1.996 1.00 0.00 H new ATOM 0 HA ILE A 12 12.221 5.557 2.929 1.00 0.00 H new ATOM 0 HB ILE A 12 13.843 7.846 3.757 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.040 5.285 4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.177 6.380 5.417 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.214 8.852 5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.779 9.099 3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 12 10.923 7.876 4.538 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.454 5.665 6.997 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.338 7.416 6.700 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.185 6.304 5.926 1.00 0.00 H new ATOM 148 N GLY A 13 11.538 8.077 0.997 1.00 0.00 N ATOM 149 CA GLY A 13 10.448 8.722 0.289 1.00 0.00 C ATOM 150 C GLY A 13 9.685 7.736 -0.566 1.00 0.00 C ATOM 151 O GLY A 13 8.461 7.814 -0.676 1.00 0.00 O ATOM 0 H GLY A 13 12.472 8.323 0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.770 9.185 1.006 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.842 9.521 -0.339 1.00 0.00 H new ATOM 155 N LEU A 14 10.415 6.784 -1.151 1.00 0.00 N ATOM 156 CA LEU A 14 9.805 5.750 -1.988 1.00 0.00 C ATOM 157 C LEU A 14 8.804 4.931 -1.178 1.00 0.00 C ATOM 158 O LEU A 14 7.754 4.534 -1.684 1.00 0.00 O ATOM 159 CB LEU A 14 10.878 4.825 -2.585 1.00 0.00 C ATOM 160 CG LEU A 14 12.140 5.517 -3.114 1.00 0.00 C ATOM 161 CD1 LEU A 14 12.929 4.571 -4.000 1.00 0.00 C ATOM 162 CD2 LEU A 14 11.788 6.783 -3.879 1.00 0.00 C ATOM 0 H LEU A 14 11.428 6.708 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 14 9.280 6.244 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.175 4.105 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.429 4.258 -3.401 1.00 0.00 H new ATOM 0 HG LEU A 14 12.756 5.796 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.822 5.077 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 14 13.221 3.692 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.312 4.264 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.701 7.254 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.148 6.531 -4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.262 7.473 -3.219 1.00 0.00 H new ATOM 174 N LEU A 15 9.134 4.701 0.089 1.00 0.00 N ATOM 175 CA LEU A 15 8.255 3.943 0.980 1.00 0.00 C ATOM 176 C LEU A 15 7.224 4.857 1.645 1.00 0.00 C ATOM 177 O LEU A 15 6.132 4.410 2.002 1.00 0.00 O ATOM 178 CB LEU A 15 9.063 3.173 2.035 1.00 0.00 C ATOM 179 CG LEU A 15 9.939 4.030 2.946 1.00 0.00 C ATOM 180 CD1 LEU A 15 9.149 4.517 4.150 1.00 0.00 C ATOM 181 CD2 LEU A 15 11.164 3.250 3.396 1.00 0.00 C ATOM 0 H LEU A 15 9.998 5.026 0.522 1.00 0.00 H new ATOM 0 HA LEU A 15 7.718 3.215 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.370 2.606 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.699 2.450 1.524 1.00 0.00 H new ATOM 0 HG LEU A 15 10.271 4.900 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.792 5.125 4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.303 5.115 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.785 3.660 4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.776 3.877 4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.849 2.361 3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.746 2.952 2.524 1.00 0.00 H new ATOM 193 N GLN A 16 7.556 6.143 1.775 1.00 0.00 N ATOM 194 CA GLN A 16 6.646 7.111 2.358 1.00 0.00 C ATOM 195 C GLN A 16 5.449 7.289 1.435 1.00 0.00 C ATOM 196 O GLN A 16 4.307 7.366 1.880 1.00 0.00 O ATOM 197 CB GLN A 16 7.352 8.456 2.578 1.00 0.00 C ATOM 198 CG GLN A 16 8.109 8.553 3.900 1.00 0.00 C ATOM 199 CD GLN A 16 7.296 8.089 5.093 1.00 0.00 C ATOM 200 OE1 GLN A 16 6.169 8.529 5.302 1.00 0.00 O ATOM 201 NE2 GLN A 16 7.865 7.194 5.887 1.00 0.00 N ATOM 0 H GLN A 16 8.452 6.532 1.481 1.00 0.00 H new ATOM 0 HA GLN A 16 6.309 6.745 3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.050 8.626 1.758 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.611 9.254 2.536 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.018 7.956 3.834 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.417 9.586 4.059 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.803 6.852 5.680 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.365 6.847 6.705 1.00 0.00 H new ATOM 210 N ILE A 17 5.726 7.323 0.133 1.00 0.00 N ATOM 211 CA ILE A 17 4.670 7.466 -0.867 1.00 0.00 C ATOM 212 C ILE A 17 3.663 6.329 -0.763 1.00 0.00 C ATOM 213 O ILE A 17 2.449 6.552 -0.862 1.00 0.00 O ATOM 214 CB ILE A 17 5.250 7.519 -2.297 1.00 0.00 C ATOM 215 CG1 ILE A 17 6.075 8.794 -2.482 1.00 0.00 C ATOM 216 CG2 ILE A 17 4.137 7.441 -3.335 1.00 0.00 C ATOM 217 CD1 ILE A 17 6.211 9.230 -3.924 1.00 0.00 C ATOM 0 H ILE A 17 6.668 7.254 -0.253 1.00 0.00 H new ATOM 0 HA ILE A 17 4.162 8.409 -0.665 1.00 0.00 H new ATOM 0 HB ILE A 17 5.903 6.658 -2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.614 9.600 -1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.069 8.636 -2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.569 7.480 -4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.590 6.506 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.455 8.281 -3.201 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.809 10.140 -3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.700 8.443 -4.498 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.222 9.422 -4.341 1.00 0.00 H new ATOM 229 N LEU A 18 4.167 5.118 -0.537 1.00 0.00 N ATOM 230 CA LEU A 18 3.308 3.946 -0.395 1.00 0.00 C ATOM 231 C LEU A 18 2.355 4.092 0.795 1.00 0.00 C ATOM 232 O LEU A 18 1.399 3.328 0.924 1.00 0.00 O ATOM 233 CB LEU A 18 4.155 2.675 -0.243 1.00 0.00 C ATOM 234 CG LEU A 18 5.167 2.422 -1.364 1.00 0.00 C ATOM 235 CD1 LEU A 18 6.307 1.551 -0.864 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.489 1.773 -2.559 1.00 0.00 C ATOM 0 H LEU A 18 5.164 4.923 -0.448 1.00 0.00 H new ATOM 0 HA LEU A 18 2.706 3.865 -1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.693 2.728 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.485 1.818 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 18 5.577 3.381 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.017 1.381 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.812 2.051 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.911 0.595 -0.522 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.224 1.601 -3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.052 0.821 -2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.704 2.430 -2.933 1.00 0.00 H new ATOM 248 N LEU A 19 2.600 5.088 1.647 1.00 0.00 N ATOM 249 CA LEU A 19 1.737 5.337 2.798 1.00 0.00 C ATOM 250 C LEU A 19 1.217 6.777 2.790 1.00 0.00 C ATOM 251 O LEU A 19 0.551 7.208 3.733 1.00 0.00 O ATOM 252 CB LEU A 19 2.471 5.021 4.109 1.00 0.00 C ATOM 253 CG LEU A 19 3.494 6.066 4.564 1.00 0.00 C ATOM 254 CD1 LEU A 19 2.975 6.841 5.764 1.00 0.00 C ATOM 255 CD2 LEU A 19 4.819 5.402 4.896 1.00 0.00 C ATOM 0 H LEU A 19 3.386 5.732 1.561 1.00 0.00 H new ATOM 0 HA LEU A 19 0.877 4.672 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.730 4.897 4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.981 4.064 3.997 1.00 0.00 H new ATOM 0 HG LEU A 19 3.652 6.768 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.718 7.578 6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.049 7.349 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.786 6.153 6.588 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.535 6.159 5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.672 4.678 5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.202 4.893 4.012 1.00 0.00 H new ATOM 267 N GLU A 20 1.513 7.514 1.718 1.00 0.00 N ATOM 268 CA GLU A 20 1.070 8.889 1.582 1.00 0.00 C ATOM 269 C GLU A 20 -0.008 9.008 0.516 1.00 0.00 C ATOM 270 O GLU A 20 -1.111 9.484 0.788 1.00 0.00 O ATOM 271 CB GLU A 20 2.255 9.780 1.234 1.00 0.00 C ATOM 272 CG GLU A 20 3.068 10.196 2.447 1.00 0.00 C ATOM 273 CD GLU A 20 3.127 11.698 2.630 1.00 0.00 C ATOM 274 OE1 GLU A 20 2.116 12.281 3.074 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.184 12.288 2.334 1.00 0.00 O ATOM 0 H GLU A 20 2.062 7.172 0.930 1.00 0.00 H new ATOM 0 HA GLU A 20 0.644 9.212 2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.903 9.254 0.533 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.893 10.673 0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.637 9.743 3.340 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.081 9.807 2.350 1.00 0.00 H new ATOM 282 N GLN A 21 0.303 8.548 -0.693 1.00 0.00 N ATOM 283 CA GLN A 21 -0.665 8.592 -1.782 1.00 0.00 C ATOM 284 C GLN A 21 -1.480 7.306 -1.839 1.00 0.00 C ATOM 285 O GLN A 21 -2.460 7.210 -2.579 1.00 0.00 O ATOM 286 CB GLN A 21 0.030 8.876 -3.117 1.00 0.00 C ATOM 287 CG GLN A 21 0.725 7.669 -3.725 1.00 0.00 C ATOM 288 CD GLN A 21 0.523 7.577 -5.225 1.00 0.00 C ATOM 289 OE1 GLN A 21 -0.600 7.424 -5.703 1.00 0.00 O ATOM 290 NE2 GLN A 21 1.611 7.678 -5.977 1.00 0.00 N ATOM 0 H GLN A 21 1.207 8.145 -0.941 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.358 9.411 -1.589 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.708 9.252 -3.826 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.764 9.669 -2.971 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.792 7.721 -3.508 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.347 6.761 -3.254 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.524 7.804 -5.539 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.535 7.629 -6.993 1.00 0.00 H new ATOM 299 N ALA A 22 -1.096 6.340 -1.014 1.00 0.00 N ATOM 300 CA ALA A 22 -1.815 5.080 -0.929 1.00 0.00 C ATOM 301 C ALA A 22 -2.963 5.197 0.077 1.00 0.00 C ATOM 302 O ALA A 22 -3.849 4.351 0.115 1.00 0.00 O ATOM 303 CB ALA A 22 -0.873 3.949 -0.547 1.00 0.00 C ATOM 0 H ALA A 22 -0.289 6.408 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.235 4.850 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.431 3.015 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.090 3.858 -1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.422 4.163 0.422 1.00 0.00 H new ATOM 309 N ARG A 23 -2.951 6.272 0.878 1.00 0.00 N ATOM 310 CA ARG A 23 -4.001 6.512 1.868 1.00 0.00 C ATOM 311 C ARG A 23 -5.375 6.468 1.210 1.00 0.00 C ATOM 312 O ARG A 23 -6.146 5.528 1.400 1.00 0.00 O ATOM 313 CB ARG A 23 -3.785 7.881 2.537 1.00 0.00 C ATOM 314 CG ARG A 23 -3.646 7.818 4.045 1.00 0.00 C ATOM 315 CD ARG A 23 -2.630 6.775 4.460 1.00 0.00 C ATOM 316 NE ARG A 23 -1.423 7.376 5.035 1.00 0.00 N ATOM 317 CZ ARG A 23 -1.358 7.967 6.221 1.00 0.00 C ATOM 318 NH1 ARG A 23 -2.424 8.047 6.993 1.00 0.00 N ATOM 319 NH2 ARG A 23 -0.214 8.479 6.630 1.00 0.00 N ATOM 0 H ARG A 23 -2.224 6.987 0.857 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.952 5.729 2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.889 8.340 2.119 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.623 8.532 2.287 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.345 8.794 4.426 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.613 7.586 4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.081 6.101 5.188 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.356 6.172 3.594 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.568 7.337 4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.311 7.652 6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.362 8.504 7.903 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.613 8.419 6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.156 8.935 7.541 1.00 0.00 H new ATOM 333 N ALA A 24 -5.658 7.495 0.421 1.00 0.00 N ATOM 334 CA ALA A 24 -6.930 7.596 -0.295 1.00 0.00 C ATOM 335 C ALA A 24 -7.072 6.527 -1.377 1.00 0.00 C ATOM 336 O ALA A 24 -8.161 6.339 -1.926 1.00 0.00 O ATOM 337 CB ALA A 24 -7.098 8.993 -0.878 1.00 0.00 C ATOM 0 H ALA A 24 -5.023 8.276 0.258 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.728 7.418 0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.048 9.054 -1.408 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.084 9.727 -0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.282 9.199 -1.571 1.00 0.00 H new ATOM 343 N ARG A 25 -5.984 5.820 -1.675 1.00 0.00 N ATOM 344 CA ARG A 25 -6.007 4.771 -2.674 1.00 0.00 C ATOM 345 C ARG A 25 -6.339 3.425 -2.037 1.00 0.00 C ATOM 346 O ARG A 25 -7.119 2.649 -2.580 1.00 0.00 O ATOM 347 CB ARG A 25 -4.659 4.735 -3.377 1.00 0.00 C ATOM 348 CG ARG A 25 -4.720 5.195 -4.822 1.00 0.00 C ATOM 349 CD ARG A 25 -4.168 6.605 -4.975 1.00 0.00 C ATOM 350 NE ARG A 25 -4.995 7.615 -4.293 1.00 0.00 N ATOM 351 CZ ARG A 25 -4.916 8.920 -4.535 1.00 0.00 C ATOM 352 NH1 ARG A 25 -4.019 9.391 -5.383 1.00 0.00 N ATOM 353 NH2 ARG A 25 -5.721 9.756 -3.913 1.00 0.00 N ATOM 0 H ARG A 25 -5.075 5.961 -1.233 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.786 4.978 -3.408 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.957 5.366 -2.832 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.267 3.718 -3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.151 4.509 -5.449 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.752 5.166 -5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.155 6.640 -4.574 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.100 6.852 -6.035 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.667 7.295 -3.595 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.381 8.752 -5.857 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.965 10.393 -5.563 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.406 9.403 -3.245 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.660 10.757 -4.099 1.00 0.00 H new ATOM 367 N ALA A 26 -5.763 3.175 -0.872 1.00 0.00 N ATOM 368 CA ALA A 26 -6.017 1.946 -0.135 1.00 0.00 C ATOM 369 C ALA A 26 -7.302 2.063 0.679 1.00 0.00 C ATOM 370 O ALA A 26 -7.904 1.054 1.035 1.00 0.00 O ATOM 371 CB ALA A 26 -4.835 1.612 0.765 1.00 0.00 C ATOM 0 H ALA A 26 -5.112 3.812 -0.413 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.143 1.134 -0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.041 0.690 1.309 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.940 1.482 0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.677 2.424 1.474 1.00 0.00 H new ATOM 377 N ALA A 27 -7.740 3.297 0.958 1.00 0.00 N ATOM 378 CA ALA A 27 -8.966 3.506 1.713 1.00 0.00 C ATOM 379 C ALA A 27 -10.153 2.889 0.986 1.00 0.00 C ATOM 380 O ALA A 27 -11.054 2.331 1.612 1.00 0.00 O ATOM 381 CB ALA A 27 -9.198 4.988 1.974 1.00 0.00 C ATOM 0 H ALA A 27 -7.264 4.153 0.673 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.862 3.010 2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.121 5.118 2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.362 5.392 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.278 5.517 1.024 1.00 0.00 H new ATOM 387 N ARG A 28 -10.126 2.957 -0.343 1.00 0.00 N ATOM 388 CA ARG A 28 -11.197 2.366 -1.147 1.00 0.00 C ATOM 389 C ARG A 28 -11.068 0.854 -1.201 1.00 0.00 C ATOM 390 O ARG A 28 -12.026 0.147 -1.520 1.00 0.00 O ATOM 391 CB ARG A 28 -11.176 2.908 -2.574 1.00 0.00 C ATOM 392 CG ARG A 28 -9.938 2.500 -3.356 1.00 0.00 C ATOM 393 CD ARG A 28 -9.537 3.561 -4.356 1.00 0.00 C ATOM 394 NE ARG A 28 -9.479 4.873 -3.723 1.00 0.00 N ATOM 395 CZ ARG A 28 -10.145 5.942 -4.133 1.00 0.00 C ATOM 396 NH1 ARG A 28 -10.918 5.900 -5.203 1.00 0.00 N ATOM 397 NH2 ARG A 28 -10.035 7.063 -3.456 1.00 0.00 N ATOM 0 H ARG A 28 -9.386 3.408 -0.881 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.139 2.635 -0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.062 2.556 -3.102 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.235 3.996 -2.543 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.114 2.320 -2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.129 1.562 -3.877 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.565 3.315 -4.784 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.252 3.580 -5.179 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.881 4.975 -2.903 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.011 5.032 -5.731 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.422 6.735 -5.501 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.443 7.102 -2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.542 7.894 -3.760 1.00 0.00 H new ATOM 411 N GLU A 29 -9.878 0.363 -0.904 1.00 0.00 N ATOM 412 CA GLU A 29 -9.623 -1.062 -0.939 1.00 0.00 C ATOM 413 C GLU A 29 -9.684 -1.673 0.446 1.00 0.00 C ATOM 414 O GLU A 29 -10.157 -2.784 0.604 1.00 0.00 O ATOM 415 CB GLU A 29 -8.280 -1.333 -1.599 1.00 0.00 C ATOM 416 CG GLU A 29 -8.428 -1.973 -2.969 1.00 0.00 C ATOM 417 CD GLU A 29 -7.758 -3.328 -3.067 1.00 0.00 C ATOM 418 OE1 GLU A 29 -8.399 -4.339 -2.692 1.00 0.00 O ATOM 419 OE2 GLU A 29 -6.603 -3.387 -3.530 1.00 0.00 O ATOM 0 H GLU A 29 -9.075 0.932 -0.636 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.406 -1.535 -1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.730 -0.397 -1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.688 -1.986 -0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.488 -2.081 -3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.003 -1.309 -3.722 1.00 0.00 H new ATOM 426 N GLN A 30 -9.229 -0.944 1.450 1.00 0.00 N ATOM 427 CA GLN A 30 -9.265 -1.439 2.819 1.00 0.00 C ATOM 428 C GLN A 30 -10.674 -1.913 3.180 1.00 0.00 C ATOM 429 O GLN A 30 -10.849 -2.929 3.857 1.00 0.00 O ATOM 430 CB GLN A 30 -8.793 -0.352 3.782 1.00 0.00 C ATOM 431 CG GLN A 30 -7.343 -0.522 4.209 1.00 0.00 C ATOM 432 CD GLN A 30 -7.163 -0.415 5.705 1.00 0.00 C ATOM 433 OE1 GLN A 30 -6.845 -1.392 6.375 1.00 0.00 O ATOM 434 NE2 GLN A 30 -7.363 0.776 6.240 1.00 0.00 N ATOM 0 H GLN A 30 -8.831 -0.010 1.346 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.591 -2.291 2.903 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.914 0.622 3.308 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.429 -0.358 4.667 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.980 -1.493 3.871 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.732 0.235 3.718 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.627 1.563 5.648 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.254 0.908 7.245 1.00 0.00 H new ATOM 443 N ALA A 31 -11.669 -1.177 2.692 1.00 0.00 N ATOM 444 CA ALA A 31 -13.073 -1.512 2.925 1.00 0.00 C ATOM 445 C ALA A 31 -13.561 -2.574 1.937 1.00 0.00 C ATOM 446 O ALA A 31 -14.348 -3.455 2.287 1.00 0.00 O ATOM 447 CB ALA A 31 -13.928 -0.254 2.830 1.00 0.00 C ATOM 0 H ALA A 31 -11.528 -0.338 2.129 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.166 -1.929 3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.973 -0.510 3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.601 0.466 3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.823 0.183 1.837 1.00 0.00 H new ATOM 453 N THR A 32 -13.079 -2.476 0.705 1.00 0.00 N ATOM 454 CA THR A 32 -13.449 -3.412 -0.360 1.00 0.00 C ATOM 455 C THR A 32 -12.701 -4.737 -0.223 1.00 0.00 C ATOM 456 O THR A 32 -13.312 -5.803 -0.246 1.00 0.00 O ATOM 457 CB THR A 32 -13.168 -2.792 -1.734 1.00 0.00 C ATOM 458 OG1 THR A 32 -13.716 -1.488 -1.816 1.00 0.00 O ATOM 459 CG2 THR A 32 -13.735 -3.593 -2.885 1.00 0.00 C ATOM 0 H THR A 32 -12.424 -1.751 0.412 1.00 0.00 H new ATOM 0 HA THR A 32 -14.516 -3.615 -0.268 1.00 0.00 H new ATOM 0 HB THR A 32 -12.082 -2.776 -1.823 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.008 -0.849 -2.042 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.498 -3.096 -3.826 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.299 -4.592 -2.883 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.817 -3.669 -2.777 1.00 0.00 H new ATOM 467 N THR A 33 -11.381 -4.664 -0.068 1.00 0.00 N ATOM 468 CA THR A 33 -10.552 -5.858 0.083 1.00 0.00 C ATOM 469 C THR A 33 -11.056 -6.723 1.236 1.00 0.00 C ATOM 470 O THR A 33 -11.109 -7.949 1.125 1.00 0.00 O ATOM 471 CB THR A 33 -9.077 -5.486 0.300 1.00 0.00 C ATOM 472 OG1 THR A 33 -8.245 -6.596 0.017 1.00 0.00 O ATOM 473 CG2 THR A 33 -8.750 -5.026 1.707 1.00 0.00 C ATOM 0 H THR A 33 -10.861 -3.787 -0.044 1.00 0.00 H new ATOM 0 HA THR A 33 -10.625 -6.432 -0.841 1.00 0.00 H new ATOM 0 HB THR A 33 -8.896 -4.652 -0.378 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.308 -6.346 0.157 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.689 -4.783 1.773 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.340 -4.142 1.947 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.985 -5.822 2.414 1.00 0.00 H new ATOM 481 N ASN A 34 -11.460 -6.072 2.332 1.00 0.00 N ATOM 482 CA ASN A 34 -11.991 -6.769 3.491 1.00 0.00 C ATOM 483 C ASN A 34 -13.133 -7.690 3.061 1.00 0.00 C ATOM 484 O ASN A 34 -13.157 -8.874 3.403 1.00 0.00 O ATOM 485 CB ASN A 34 -12.473 -5.741 4.515 1.00 0.00 C ATOM 486 CG ASN A 34 -11.799 -5.896 5.862 1.00 0.00 C ATOM 487 OD1 ASN A 34 -12.186 -6.731 6.672 1.00 0.00 O ATOM 488 ND2 ASN A 34 -10.782 -5.082 6.107 1.00 0.00 N ATOM 0 H ASN A 34 -11.426 -5.058 2.433 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.214 -7.382 3.947 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.285 -4.738 4.133 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.552 -5.837 4.640 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.289 -5.136 6.998 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.493 -4.401 5.404 1.00 0.00 H new ATOM 495 N ALA A 35 -14.059 -7.138 2.275 1.00 0.00 N ATOM 496 CA ALA A 35 -15.180 -7.901 1.759 1.00 0.00 C ATOM 497 C ALA A 35 -14.735 -8.798 0.611 1.00 0.00 C ATOM 498 O ALA A 35 -15.223 -9.910 0.466 1.00 0.00 O ATOM 499 CB ALA A 35 -16.312 -6.975 1.329 1.00 0.00 C ATOM 0 H ALA A 35 -14.048 -6.160 1.985 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.558 -8.540 2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -17.142 -7.569 0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -16.649 -6.391 2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -15.956 -6.303 0.549 1.00 0.00 H new ATOM 505 N ARG A 36 -13.781 -8.325 -0.184 1.00 0.00 N ATOM 506 CA ARG A 36 -13.253 -9.107 -1.289 1.00 0.00 C ATOM 507 C ARG A 36 -12.632 -10.398 -0.772 1.00 0.00 C ATOM 508 O ARG A 36 -12.764 -11.454 -1.384 1.00 0.00 O ATOM 509 CB ARG A 36 -12.207 -8.304 -2.030 1.00 0.00 C ATOM 510 CG ARG A 36 -12.787 -7.319 -3.023 1.00 0.00 C ATOM 511 CD ARG A 36 -11.982 -7.302 -4.305 1.00 0.00 C ATOM 512 NE ARG A 36 -10.674 -6.699 -4.079 1.00 0.00 N ATOM 513 CZ ARG A 36 -9.755 -6.511 -5.017 1.00 0.00 C ATOM 514 NH1 ARG A 36 -9.944 -6.963 -6.241 1.00 0.00 N ATOM 515 NH2 ARG A 36 -8.640 -5.873 -4.726 1.00 0.00 N ATOM 0 H ARG A 36 -13.359 -7.402 -0.081 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.071 -9.353 -1.967 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.598 -7.761 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.542 -8.988 -2.557 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.821 -7.585 -3.242 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.801 -6.321 -2.585 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.861 -8.319 -4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.519 -6.743 -5.071 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.449 -6.400 -3.130 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.803 -7.462 -6.473 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.232 -6.814 -6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.484 -5.524 -3.780 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.933 -5.728 -5.446 1.00 0.00 H new ATOM 529 N ILE A 37 -11.960 -10.303 0.369 1.00 0.00 N ATOM 530 CA ILE A 37 -11.327 -11.467 0.978 1.00 0.00 C ATOM 531 C ILE A 37 -12.373 -12.501 1.381 1.00 0.00 C ATOM 532 O ILE A 37 -12.180 -13.700 1.186 1.00 0.00 O ATOM 533 CB ILE A 37 -10.484 -11.068 2.209 1.00 0.00 C ATOM 534 CG1 ILE A 37 -9.273 -10.238 1.774 1.00 0.00 C ATOM 535 CG2 ILE A 37 -10.038 -12.298 2.991 1.00 0.00 C ATOM 536 CD1 ILE A 37 -8.140 -11.062 1.202 1.00 0.00 C ATOM 0 H ILE A 37 -11.839 -9.435 0.890 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.663 -11.905 0.233 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.107 -10.462 2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.592 -9.510 1.028 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.903 -9.675 2.631 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.446 -11.987 3.852 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -10.914 -12.849 3.333 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -9.434 -12.939 2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.319 -10.404 0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.792 -11.772 1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.492 -11.604 0.324 1.00 0.00 H new ATOM 548 N LEU A 38 -13.483 -12.024 1.935 1.00 0.00 N ATOM 549 CA LEU A 38 -14.568 -12.903 2.363 1.00 0.00 C ATOM 550 C LEU A 38 -15.622 -13.104 1.261 1.00 0.00 C ATOM 551 O LEU A 38 -16.509 -13.946 1.405 1.00 0.00 O ATOM 552 CB LEU A 38 -15.236 -12.348 3.629 1.00 0.00 C ATOM 553 CG LEU A 38 -15.785 -10.923 3.515 1.00 0.00 C ATOM 554 CD1 LEU A 38 -17.196 -10.934 2.953 1.00 0.00 C ATOM 555 CD2 LEU A 38 -15.759 -10.233 4.868 1.00 0.00 C ATOM 0 H LEU A 38 -13.656 -11.032 2.099 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.127 -13.876 2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.054 -13.012 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.511 -12.375 4.443 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.147 -10.366 2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -17.567 -9.912 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -17.190 -11.389 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -17.846 -11.510 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -16.153 -9.221 4.768 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.372 -10.793 5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.733 -10.189 5.234 1.00 0.00 H new ATOM 567 N ALA A 39 -15.538 -12.333 0.170 1.00 0.00 N ATOM 568 CA ALA A 39 -16.507 -12.448 -0.916 1.00 0.00 C ATOM 569 C ALA A 39 -15.973 -11.872 -2.234 1.00 0.00 C ATOM 570 O ALA A 39 -16.578 -10.979 -2.827 1.00 0.00 O ATOM 571 CB ALA A 39 -17.809 -11.763 -0.520 1.00 0.00 C ATOM 0 H ALA A 39 -14.814 -11.630 0.020 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.691 -13.509 -1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.529 -11.852 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.212 -12.238 0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.619 -10.709 -0.317 1.00 0.00 H new ATOM 577 N ARG A 40 -14.832 -12.389 -2.681 1.00 0.00 N ATOM 578 CA ARG A 40 -14.204 -11.931 -3.919 1.00 0.00 C ATOM 579 C ARG A 40 -15.082 -12.193 -5.149 1.00 0.00 C ATOM 580 O ARG A 40 -15.070 -11.398 -6.087 1.00 0.00 O ATOM 581 CB ARG A 40 -12.836 -12.603 -4.103 1.00 0.00 C ATOM 582 CG ARG A 40 -11.954 -11.921 -5.141 1.00 0.00 C ATOM 583 CD ARG A 40 -11.263 -12.928 -6.059 1.00 0.00 C ATOM 584 NE ARG A 40 -12.156 -14.023 -6.457 1.00 0.00 N ATOM 585 CZ ARG A 40 -13.238 -13.871 -7.212 1.00 0.00 C ATOM 586 NH1 ARG A 40 -13.532 -12.704 -7.740 1.00 0.00 N ATOM 587 NH2 ARG A 40 -14.023 -14.895 -7.455 1.00 0.00 N ATOM 0 H ARG A 40 -14.320 -13.130 -2.202 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.074 -10.852 -3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.314 -12.613 -3.146 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.988 -13.642 -4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.560 -11.241 -5.740 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.201 -11.316 -4.635 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.901 -12.415 -6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.391 -13.340 -5.552 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.930 -14.963 -6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.926 -11.901 -7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.366 -12.601 -8.318 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.803 -15.811 -7.063 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.853 -14.775 -8.035 1.00 0.00 H new ATOM 601 N VAL A 41 -15.822 -13.312 -5.116 1.00 0.00 N ATOM 602 CA VAL A 41 -16.723 -13.754 -6.189 1.00 0.00 C ATOM 603 C VAL A 41 -16.732 -12.835 -7.419 1.00 0.00 C ATOM 604 O VAL A 41 -15.993 -13.143 -8.385 1.00 0.00 O ATOM 605 CB VAL A 41 -18.164 -13.931 -5.663 1.00 0.00 C ATOM 606 CG1 VAL A 41 -18.514 -15.404 -5.537 1.00 0.00 C ATOM 607 CG2 VAL A 41 -18.369 -13.221 -4.330 1.00 0.00 C ATOM 608 OXT VAL A 41 -17.475 -11.830 -7.418 1.00 0.00 O ATOM 0 H VAL A 41 -15.809 -13.951 -4.321 1.00 0.00 H new ATOM 0 HA VAL A 41 -16.325 -14.713 -6.519 1.00 0.00 H new ATOM 0 HB VAL A 41 -18.834 -13.472 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -19.533 -15.505 -5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -18.435 -15.882 -6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.825 -15.884 -4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -19.395 -13.369 -3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -17.681 -13.631 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -18.177 -12.155 -4.452 1.00 0.00 H new TER 618 VAL A 41