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= -1.81 K(o=-1.8,f=-3) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 132:sc= 0.884 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.135 X(o=0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 4 17.510 -2.020 -1.493 1.00 0.00 N ATOM 2 CA ILE A 4 18.548 -1.846 -2.554 1.00 0.00 C ATOM 3 C ILE A 4 19.904 -2.401 -2.095 1.00 0.00 C ATOM 4 O ILE A 4 20.212 -3.563 -2.354 1.00 0.00 O ATOM 5 CB ILE A 4 18.692 -0.359 -2.968 1.00 0.00 C ATOM 6 CG1 ILE A 4 17.359 0.184 -3.495 1.00 0.00 C ATOM 7 CG2 ILE A 4 19.776 -0.196 -4.026 1.00 0.00 C ATOM 8 CD1 ILE A 4 16.594 1.005 -2.480 1.00 0.00 C ATOM 0 HA ILE A 4 18.217 -2.411 -3.425 1.00 0.00 H new ATOM 0 HB ILE A 4 18.979 0.211 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 4 17.549 0.797 -4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 4 16.738 -0.652 -3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 4 19.860 0.855 -4.302 1.00 0.00 H new ATOM 0 HG22 ILE A 4 20.729 -0.544 -3.627 1.00 0.00 H new ATOM 0 HG23 ILE A 4 19.516 -0.783 -4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 4 15.662 1.356 -2.924 1.00 0.00 H new ATOM 0 HD12 ILE A 4 16.372 0.390 -1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 4 17.196 1.861 -2.177 1.00 0.00 H new ATOM 22 N VAL A 5 20.703 -1.581 -1.403 1.00 0.00 N ATOM 23 CA VAL A 5 22.009 -2.026 -0.907 1.00 0.00 C ATOM 24 C VAL A 5 21.850 -2.726 0.442 1.00 0.00 C ATOM 25 O VAL A 5 22.043 -3.936 0.549 1.00 0.00 O ATOM 26 CB VAL A 5 23.007 -0.851 -0.773 1.00 0.00 C ATOM 27 CG1 VAL A 5 24.401 -1.365 -0.443 1.00 0.00 C ATOM 28 CG2 VAL A 5 23.038 -0.019 -2.047 1.00 0.00 C ATOM 0 H VAL A 5 20.471 -0.614 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 5 22.414 -2.726 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 5 22.670 -0.214 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 5 25.087 -0.523 -0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 5 24.373 -1.913 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 5 24.742 -2.028 -1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 5 23.746 0.801 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 5 23.345 -0.646 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 5 22.045 0.385 -2.242 1.00 0.00 H new ATOM 38 N LEU A 6 21.470 -1.958 1.464 1.00 0.00 N ATOM 39 CA LEU A 6 21.252 -2.503 2.799 1.00 0.00 C ATOM 40 C LEU A 6 19.778 -2.876 2.975 1.00 0.00 C ATOM 41 O LEU A 6 19.446 -4.037 3.206 1.00 0.00 O ATOM 42 CB LEU A 6 21.688 -1.489 3.861 1.00 0.00 C ATOM 43 CG LEU A 6 23.096 -1.705 4.417 1.00 0.00 C ATOM 44 CD1 LEU A 6 24.103 -0.843 3.675 1.00 0.00 C ATOM 45 CD2 LEU A 6 23.133 -1.403 5.906 1.00 0.00 C ATOM 0 H LEU A 6 21.307 -0.954 1.389 1.00 0.00 H new ATOM 0 HA LEU A 6 21.854 -3.404 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 6 21.632 -0.489 3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 6 20.978 -1.522 4.687 1.00 0.00 H new ATOM 0 HG LEU A 6 23.365 -2.751 4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 6 25.099 -1.011 4.086 1.00 0.00 H new ATOM 0 HD12 LEU A 6 24.098 -1.106 2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 6 23.836 0.208 3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 6 24.143 -1.562 6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 6 22.842 -0.366 6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 6 22.441 -2.064 6.429 1.00 0.00 H new ATOM 57 N SER A 7 18.897 -1.882 2.848 1.00 0.00 N ATOM 58 CA SER A 7 17.465 -2.101 2.971 1.00 0.00 C ATOM 59 C SER A 7 16.693 -1.116 2.085 1.00 0.00 C ATOM 60 O SER A 7 16.365 -1.429 0.937 1.00 0.00 O ATOM 61 CB SER A 7 17.037 -1.975 4.434 1.00 0.00 C ATOM 62 OG SER A 7 16.506 -3.198 4.918 1.00 0.00 O ATOM 0 H SER A 7 19.158 -0.914 2.659 1.00 0.00 H new ATOM 0 HA SER A 7 17.232 -3.110 2.632 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.892 -1.680 5.042 1.00 0.00 H new ATOM 0 HB3 SER A 7 16.290 -1.187 4.531 1.00 0.00 H new ATOM 0 HG SER A 7 16.242 -3.092 5.856 1.00 0.00 H new ATOM 68 N LEU A 8 16.424 0.081 2.618 1.00 0.00 N ATOM 69 CA LEU A 8 15.700 1.121 1.880 1.00 0.00 C ATOM 70 C LEU A 8 15.561 2.405 2.712 1.00 0.00 C ATOM 71 O LEU A 8 14.530 3.077 2.660 1.00 0.00 O ATOM 72 CB LEU A 8 14.313 0.612 1.457 1.00 0.00 C ATOM 73 CG LEU A 8 13.435 0.073 2.592 1.00 0.00 C ATOM 74 CD1 LEU A 8 11.984 0.472 2.377 1.00 0.00 C ATOM 75 CD2 LEU A 8 13.558 -1.439 2.692 1.00 0.00 C ATOM 0 H LEU A 8 16.698 0.354 3.562 1.00 0.00 H new ATOM 0 HA LEU A 8 16.279 1.358 0.988 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.781 1.426 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.445 -0.177 0.717 1.00 0.00 H new ATOM 0 HG LEU A 8 13.780 0.510 3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.375 0.081 3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.905 1.559 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 8 11.630 0.062 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.927 -1.802 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 8 13.239 -1.893 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.596 -1.707 2.891 1.00 0.00 H new ATOM 87 N ASP A 9 16.609 2.751 3.467 1.00 0.00 N ATOM 88 CA ASP A 9 16.593 3.955 4.289 1.00 0.00 C ATOM 89 C ASP A 9 16.720 5.205 3.420 1.00 0.00 C ATOM 90 O ASP A 9 15.851 6.074 3.447 1.00 0.00 O ATOM 91 CB ASP A 9 17.724 3.904 5.314 1.00 0.00 C ATOM 92 CG ASP A 9 17.232 4.134 6.726 1.00 0.00 C ATOM 93 OD1 ASP A 9 16.712 5.234 7.003 1.00 0.00 O ATOM 94 OD2 ASP A 9 17.367 3.210 7.552 1.00 0.00 O ATOM 0 H ASP A 9 17.474 2.213 3.523 1.00 0.00 H new ATOM 0 HA ASP A 9 15.640 4.002 4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.219 2.934 5.258 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.471 4.658 5.065 1.00 0.00 H new ATOM 99 N VAL A 10 17.803 5.280 2.635 1.00 0.00 N ATOM 100 CA VAL A 10 18.029 6.420 1.742 1.00 0.00 C ATOM 101 C VAL A 10 16.731 6.806 1.022 1.00 0.00 C ATOM 102 O VAL A 10 16.303 7.961 1.079 1.00 0.00 O ATOM 103 CB VAL A 10 19.140 6.123 0.706 1.00 0.00 C ATOM 104 CG1 VAL A 10 19.145 7.164 -0.405 1.00 0.00 C ATOM 105 CG2 VAL A 10 20.500 6.069 1.387 1.00 0.00 C ATOM 0 H VAL A 10 18.532 4.568 2.601 1.00 0.00 H new ATOM 0 HA VAL A 10 18.358 7.256 2.359 1.00 0.00 H new ATOM 0 HB VAL A 10 18.933 5.151 0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 10 19.935 6.931 -1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.182 7.156 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.322 8.151 0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 10 21.270 5.859 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 10 20.707 7.027 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 10 20.498 5.282 2.141 1.00 0.00 H new ATOM 115 N PRO A 11 16.064 5.837 0.353 1.00 0.00 N ATOM 116 CA PRO A 11 14.802 6.088 -0.342 1.00 0.00 C ATOM 117 C PRO A 11 13.608 6.094 0.601 1.00 0.00 C ATOM 118 O PRO A 11 12.583 5.456 0.339 1.00 0.00 O ATOM 119 CB PRO A 11 14.717 4.924 -1.319 1.00 0.00 C ATOM 120 CG PRO A 11 15.405 3.801 -0.625 1.00 0.00 C ATOM 121 CD PRO A 11 16.470 4.422 0.243 1.00 0.00 C ATOM 0 HA PRO A 11 14.779 7.068 -0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.681 4.673 -1.548 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.204 5.164 -2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.700 3.227 -0.023 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.845 3.111 -1.345 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.516 3.943 1.221 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.458 4.324 -0.207 1.00 0.00 H new ATOM 129 N ILE A 12 13.738 6.837 1.692 1.00 0.00 N ATOM 130 CA ILE A 12 12.674 6.942 2.664 1.00 0.00 C ATOM 131 C ILE A 12 11.438 7.586 2.038 1.00 0.00 C ATOM 132 O ILE A 12 10.312 7.331 2.463 1.00 0.00 O ATOM 133 CB ILE A 12 13.140 7.714 3.923 1.00 0.00 C ATOM 134 CG1 ILE A 12 13.524 6.719 5.022 1.00 0.00 C ATOM 135 CG2 ILE A 12 12.080 8.699 4.413 1.00 0.00 C ATOM 136 CD1 ILE A 12 12.558 6.665 6.189 1.00 0.00 C ATOM 0 H ILE A 12 14.574 7.375 1.921 1.00 0.00 H new ATOM 0 HA ILE A 12 12.403 5.936 2.984 1.00 0.00 H new ATOM 0 HB ILE A 12 14.016 8.307 3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.599 5.724 4.583 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.514 6.977 5.398 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.448 9.219 5.298 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.867 9.424 3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 12 11.168 8.157 4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.909 5.935 6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.499 7.647 6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.570 6.374 5.831 1.00 0.00 H new ATOM 148 N GLY A 13 11.651 8.389 0.996 1.00 0.00 N ATOM 149 CA GLY A 13 10.535 9.011 0.311 1.00 0.00 C ATOM 150 C GLY A 13 9.784 8.005 -0.530 1.00 0.00 C ATOM 151 O GLY A 13 8.555 8.028 -0.588 1.00 0.00 O ATOM 0 H GLY A 13 12.571 8.617 0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.859 9.456 1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.898 9.820 -0.322 1.00 0.00 H new ATOM 155 N LEU A 14 10.531 7.098 -1.160 1.00 0.00 N ATOM 156 CA LEU A 14 9.932 6.049 -1.987 1.00 0.00 C ATOM 157 C LEU A 14 9.025 5.160 -1.142 1.00 0.00 C ATOM 158 O LEU A 14 7.966 4.723 -1.593 1.00 0.00 O ATOM 159 CB LEU A 14 11.013 5.194 -2.667 1.00 0.00 C ATOM 160 CG LEU A 14 12.263 5.943 -3.143 1.00 0.00 C ATOM 161 CD1 LEU A 14 13.102 5.052 -4.044 1.00 0.00 C ATOM 162 CD2 LEU A 14 11.887 7.222 -3.874 1.00 0.00 C ATOM 0 H LEU A 14 11.550 7.068 -1.114 1.00 0.00 H new ATOM 0 HA LEU A 14 9.338 6.533 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.324 4.416 -1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.565 4.693 -3.525 1.00 0.00 H new ATOM 0 HG LEU A 14 12.850 6.212 -2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.986 5.598 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 14 13.409 4.163 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.514 4.755 -4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.792 7.734 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.274 6.978 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.325 7.872 -3.204 1.00 0.00 H new ATOM 174 N LEU A 15 9.444 4.915 0.097 1.00 0.00 N ATOM 175 CA LEU A 15 8.663 4.091 1.019 1.00 0.00 C ATOM 176 C LEU A 15 7.596 4.919 1.735 1.00 0.00 C ATOM 177 O LEU A 15 6.563 4.387 2.141 1.00 0.00 O ATOM 178 CB LEU A 15 9.575 3.388 2.033 1.00 0.00 C ATOM 179 CG LEU A 15 10.253 4.308 3.045 1.00 0.00 C ATOM 180 CD1 LEU A 15 9.359 4.532 4.255 1.00 0.00 C ATOM 181 CD2 LEU A 15 11.593 3.734 3.474 1.00 0.00 C ATOM 0 H LEU A 15 10.316 5.273 0.486 1.00 0.00 H new ATOM 0 HA LEU A 15 8.155 3.327 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.986 2.649 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.346 2.843 1.488 1.00 0.00 H new ATOM 0 HG LEU A 15 10.427 5.271 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.863 5.190 4.963 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.423 4.990 3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.150 3.576 4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.061 4.404 4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.440 2.757 3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.240 3.630 2.603 1.00 0.00 H new ATOM 193 N GLN A 16 7.834 6.227 1.861 1.00 0.00 N ATOM 194 CA GLN A 16 6.880 7.120 2.495 1.00 0.00 C ATOM 195 C GLN A 16 5.636 7.229 1.623 1.00 0.00 C ATOM 196 O GLN A 16 4.510 7.239 2.116 1.00 0.00 O ATOM 197 CB GLN A 16 7.503 8.506 2.711 1.00 0.00 C ATOM 198 CG GLN A 16 8.198 8.674 4.059 1.00 0.00 C ATOM 199 CD GLN A 16 7.343 8.246 5.238 1.00 0.00 C ATOM 200 OE1 GLN A 16 6.163 8.579 5.322 1.00 0.00 O ATOM 201 NE2 GLN A 16 7.938 7.504 6.162 1.00 0.00 N ATOM 0 H GLN A 16 8.683 6.685 1.529 1.00 0.00 H new ATOM 0 HA GLN A 16 6.604 6.716 3.469 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.224 8.696 1.916 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.722 9.261 2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.120 8.092 4.059 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.481 9.719 4.186 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.920 7.248 6.056 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.414 7.189 6.978 1.00 0.00 H new ATOM 210 N ILE A 17 5.856 7.283 0.311 1.00 0.00 N ATOM 211 CA ILE A 17 4.755 7.366 -0.649 1.00 0.00 C ATOM 212 C ILE A 17 3.807 6.180 -0.497 1.00 0.00 C ATOM 213 O ILE A 17 2.584 6.335 -0.596 1.00 0.00 O ATOM 214 CB ILE A 17 5.278 7.438 -2.102 1.00 0.00 C ATOM 215 CG1 ILE A 17 6.063 8.735 -2.317 1.00 0.00 C ATOM 216 CG2 ILE A 17 4.128 7.336 -3.096 1.00 0.00 C ATOM 217 CD1 ILE A 17 6.180 9.147 -3.768 1.00 0.00 C ATOM 0 H ILE A 17 6.784 7.271 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 17 4.208 8.284 -0.434 1.00 0.00 H new ATOM 0 HB ILE A 17 5.946 6.594 -2.271 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.580 9.537 -1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.064 8.616 -1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.519 7.389 -4.112 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.609 6.388 -2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.432 8.158 -2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.749 10.074 -3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.691 8.364 -4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.184 9.300 -4.184 1.00 0.00 H new ATOM 229 N LEU A 18 4.376 5.003 -0.227 1.00 0.00 N ATOM 230 CA LEU A 18 3.581 3.793 -0.037 1.00 0.00 C ATOM 231 C LEU A 18 2.645 3.915 1.170 1.00 0.00 C ATOM 232 O LEU A 18 1.749 3.090 1.348 1.00 0.00 O ATOM 233 CB LEU A 18 4.493 2.572 0.125 1.00 0.00 C ATOM 234 CG LEU A 18 5.434 2.300 -1.051 1.00 0.00 C ATOM 235 CD1 LEU A 18 6.650 1.514 -0.590 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.706 1.550 -2.154 1.00 0.00 C ATOM 0 H LEU A 18 5.382 4.865 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 18 2.965 3.663 -0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.092 2.703 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.870 1.692 0.282 1.00 0.00 H new ATOM 0 HG LEU A 18 5.771 3.257 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.308 1.330 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.187 2.085 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.329 0.562 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.391 1.365 -2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.340 0.599 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.864 2.147 -2.506 1.00 0.00 H new ATOM 248 N LEU A 19 2.833 4.955 1.983 1.00 0.00 N ATOM 249 CA LEU A 19 1.975 5.183 3.141 1.00 0.00 C ATOM 250 C LEU A 19 1.376 6.594 3.105 1.00 0.00 C ATOM 251 O LEU A 19 0.671 7.003 4.032 1.00 0.00 O ATOM 252 CB LEU A 19 2.747 4.944 4.447 1.00 0.00 C ATOM 253 CG LEU A 19 3.721 6.051 4.854 1.00 0.00 C ATOM 254 CD1 LEU A 19 3.212 6.788 6.081 1.00 0.00 C ATOM 255 CD2 LEU A 19 5.100 5.472 5.117 1.00 0.00 C ATOM 0 H LEU A 19 3.570 5.650 1.860 1.00 0.00 H new ATOM 0 HA LEU A 19 1.153 4.468 3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.027 4.805 5.253 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.304 4.012 4.353 1.00 0.00 H new ATOM 0 HG LEU A 19 3.794 6.763 4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.919 7.571 6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.243 7.235 5.861 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.109 6.087 6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.782 6.272 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.040 4.739 5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.470 4.989 4.213 1.00 0.00 H new ATOM 267 N GLU A 20 1.650 7.326 2.020 1.00 0.00 N ATOM 268 CA GLU A 20 1.141 8.674 1.846 1.00 0.00 C ATOM 269 C GLU A 20 0.031 8.700 0.806 1.00 0.00 C ATOM 270 O GLU A 20 -1.089 9.130 1.092 1.00 0.00 O ATOM 271 CB GLU A 20 2.275 9.607 1.426 1.00 0.00 C ATOM 272 CG GLU A 20 3.099 10.127 2.592 1.00 0.00 C ATOM 273 CD GLU A 20 3.126 11.639 2.662 1.00 0.00 C ATOM 274 OE1 GLU A 20 4.010 12.247 2.023 1.00 0.00 O ATOM 275 OE2 GLU A 20 2.263 12.215 3.355 1.00 0.00 O ATOM 0 H GLU A 20 2.228 6.996 1.247 1.00 0.00 H new ATOM 0 HA GLU A 20 0.729 9.015 2.796 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.932 9.079 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.855 10.454 0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.693 9.732 3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.119 9.753 2.505 1.00 0.00 H new ATOM 282 N GLN A 21 0.333 8.217 -0.397 1.00 0.00 N ATOM 283 CA GLN A 21 -0.665 8.180 -1.456 1.00 0.00 C ATOM 284 C GLN A 21 -1.368 6.830 -1.505 1.00 0.00 C ATOM 285 O GLN A 21 -2.318 6.640 -2.268 1.00 0.00 O ATOM 286 CB GLN A 21 -0.042 8.537 -2.813 1.00 0.00 C ATOM 287 CG GLN A 21 0.762 7.411 -3.447 1.00 0.00 C ATOM 288 CD GLN A 21 0.552 7.316 -4.947 1.00 0.00 C ATOM 289 OE1 GLN A 21 -0.470 6.817 -5.411 1.00 0.00 O ATOM 290 NE2 GLN A 21 1.519 7.799 -5.716 1.00 0.00 N ATOM 0 H GLN A 21 1.249 7.851 -0.658 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.420 8.933 -1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.837 8.831 -3.499 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.606 9.404 -2.686 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.821 7.566 -3.241 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.482 6.465 -2.984 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.353 8.206 -5.292 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.429 7.764 -6.731 1.00 0.00 H new ATOM 299 N ALA A 22 -0.930 5.911 -0.652 1.00 0.00 N ATOM 300 CA ALA A 22 -1.552 4.599 -0.569 1.00 0.00 C ATOM 301 C ALA A 22 -2.786 4.662 0.330 1.00 0.00 C ATOM 302 O ALA A 22 -3.656 3.797 0.256 1.00 0.00 O ATOM 303 CB ALA A 22 -0.562 3.566 -0.056 1.00 0.00 C ATOM 0 H ALA A 22 -0.149 6.051 -0.011 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.864 4.296 -1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.048 2.592 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.289 3.510 -0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.216 3.855 0.937 1.00 0.00 H new ATOM 309 N ARG A 23 -2.867 5.704 1.169 1.00 0.00 N ATOM 310 CA ARG A 23 -4.005 5.885 2.066 1.00 0.00 C ATOM 311 C ARG A 23 -5.312 5.899 1.279 1.00 0.00 C ATOM 312 O ARG A 23 -6.129 4.987 1.396 1.00 0.00 O ATOM 313 CB ARG A 23 -3.850 7.187 2.864 1.00 0.00 C ATOM 314 CG ARG A 23 -2.525 7.315 3.608 1.00 0.00 C ATOM 315 CD ARG A 23 -2.096 6.002 4.243 1.00 0.00 C ATOM 316 NE ARG A 23 -2.333 5.992 5.684 1.00 0.00 N ATOM 317 CZ ARG A 23 -1.476 6.438 6.604 1.00 0.00 C ATOM 318 NH1 ARG A 23 -0.303 6.937 6.258 1.00 0.00 N ATOM 319 NH2 ARG A 23 -1.802 6.382 7.882 1.00 0.00 N ATOM 0 H ARG A 23 -2.156 6.431 1.241 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.032 5.047 2.763 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.953 8.031 2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.665 7.257 3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.753 7.652 2.917 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.616 8.078 4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.641 5.179 3.780 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.037 5.833 4.048 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.222 5.615 6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.040 6.986 5.274 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.340 7.273 6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.705 5.999 8.162 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.151 6.722 8.590 1.00 0.00 H new ATOM 333 N ALA A 24 -5.493 6.933 0.460 1.00 0.00 N ATOM 334 CA ALA A 24 -6.695 7.066 -0.365 1.00 0.00 C ATOM 335 C ALA A 24 -6.789 5.968 -1.429 1.00 0.00 C ATOM 336 O ALA A 24 -7.838 5.787 -2.051 1.00 0.00 O ATOM 337 CB ALA A 24 -6.740 8.447 -1.007 1.00 0.00 C ATOM 0 H ALA A 24 -4.822 7.693 0.349 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.559 6.949 0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.638 8.535 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.755 9.210 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.859 8.586 -1.634 1.00 0.00 H new ATOM 343 N ARG A 25 -5.694 5.234 -1.629 1.00 0.00 N ATOM 344 CA ARG A 25 -5.652 4.153 -2.597 1.00 0.00 C ATOM 345 C ARG A 25 -6.128 2.858 -1.951 1.00 0.00 C ATOM 346 O ARG A 25 -6.995 2.161 -2.481 1.00 0.00 O ATOM 347 CB ARG A 25 -4.223 4.009 -3.127 1.00 0.00 C ATOM 348 CG ARG A 25 -4.086 4.289 -4.615 1.00 0.00 C ATOM 349 CD ARG A 25 -3.871 5.772 -4.877 1.00 0.00 C ATOM 350 NE ARG A 25 -5.016 6.570 -4.418 1.00 0.00 N ATOM 351 CZ ARG A 25 -5.855 7.229 -5.212 1.00 0.00 C ATOM 352 NH1 ARG A 25 -5.662 7.275 -6.518 1.00 0.00 N ATOM 353 NH2 ARG A 25 -6.888 7.856 -4.687 1.00 0.00 N ATOM 0 H ARG A 25 -4.819 5.376 -1.124 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.316 4.377 -3.432 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.572 4.689 -2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.871 2.998 -2.924 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.249 3.720 -5.019 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.982 3.951 -5.136 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.966 6.105 -4.368 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.716 5.936 -5.943 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.180 6.623 -3.413 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.860 6.800 -6.932 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.315 7.785 -7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.039 7.834 -3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.536 8.364 -5.289 1.00 0.00 H new ATOM 367 N ALA A 26 -5.574 2.564 -0.784 1.00 0.00 N ATOM 368 CA ALA A 26 -5.946 1.379 -0.028 1.00 0.00 C ATOM 369 C ALA A 26 -7.278 1.589 0.692 1.00 0.00 C ATOM 370 O ALA A 26 -7.973 0.625 1.000 1.00 0.00 O ATOM 371 CB ALA A 26 -4.849 1.020 0.964 1.00 0.00 C ATOM 0 H ALA A 26 -4.858 3.137 -0.337 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.068 0.550 -0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.141 0.131 1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.922 0.822 0.426 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.697 1.849 1.655 1.00 0.00 H new ATOM 377 N ALA A 27 -7.649 2.849 0.946 1.00 0.00 N ATOM 378 CA ALA A 27 -8.906 3.146 1.616 1.00 0.00 C ATOM 379 C ALA A 27 -10.086 2.633 0.802 1.00 0.00 C ATOM 380 O ALA A 27 -11.091 2.195 1.361 1.00 0.00 O ATOM 381 CB ALA A 27 -9.034 4.639 1.885 1.00 0.00 C ATOM 0 H ALA A 27 -7.097 3.670 0.697 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.912 2.630 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.981 4.838 2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.211 4.966 2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.002 5.183 0.941 1.00 0.00 H new ATOM 387 N ARG A 28 -9.947 2.657 -0.522 1.00 0.00 N ATOM 388 CA ARG A 28 -11.012 2.155 -1.397 1.00 0.00 C ATOM 389 C ARG A 28 -10.932 0.643 -1.554 1.00 0.00 C ATOM 390 O ARG A 28 -11.866 0.011 -2.051 1.00 0.00 O ATOM 391 CB ARG A 28 -10.977 2.803 -2.789 1.00 0.00 C ATOM 392 CG ARG A 28 -9.586 3.034 -3.365 1.00 0.00 C ATOM 393 CD ARG A 28 -9.648 3.921 -4.593 1.00 0.00 C ATOM 394 NE ARG A 28 -10.415 5.137 -4.324 1.00 0.00 N ATOM 395 CZ ARG A 28 -11.425 5.584 -5.068 1.00 0.00 C ATOM 396 NH1 ARG A 28 -11.786 4.953 -6.170 1.00 0.00 N ATOM 397 NH2 ARG A 28 -12.075 6.672 -4.704 1.00 0.00 N ATOM 0 H ARG A 28 -9.124 3.011 -1.009 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.951 2.424 -0.913 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.538 2.173 -3.479 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.495 3.761 -2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.948 3.495 -2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.133 2.078 -3.625 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.638 4.186 -4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.104 3.374 -5.418 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.156 5.685 -3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.289 4.111 -6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.562 5.307 -6.730 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.804 7.168 -3.855 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.849 7.017 -5.271 1.00 0.00 H new ATOM 411 N GLU A 29 -9.820 0.064 -1.131 1.00 0.00 N ATOM 412 CA GLU A 29 -9.632 -1.369 -1.234 1.00 0.00 C ATOM 413 C GLU A 29 -9.795 -2.049 0.114 1.00 0.00 C ATOM 414 O GLU A 29 -10.339 -3.141 0.196 1.00 0.00 O ATOM 415 CB GLU A 29 -8.273 -1.667 -1.838 1.00 0.00 C ATOM 416 CG GLU A 29 -8.386 -2.178 -3.258 1.00 0.00 C ATOM 417 CD GLU A 29 -8.227 -3.684 -3.351 1.00 0.00 C ATOM 418 OE1 GLU A 29 -9.079 -4.409 -2.783 1.00 0.00 O ATOM 419 OE2 GLU A 29 -7.261 -4.145 -3.990 1.00 0.00 O ATOM 0 H GLU A 29 -9.036 0.566 -0.714 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.403 -1.773 -1.890 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.664 -0.763 -1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.758 -2.407 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.355 -1.893 -3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.626 -1.697 -3.875 1.00 0.00 H new ATOM 426 N GLN A 30 -9.347 -1.385 1.172 1.00 0.00 N ATOM 427 CA GLN A 30 -9.466 -1.920 2.522 1.00 0.00 C ATOM 428 C GLN A 30 -10.909 -2.330 2.810 1.00 0.00 C ATOM 429 O GLN A 30 -11.164 -3.348 3.459 1.00 0.00 O ATOM 430 CB GLN A 30 -8.992 -0.880 3.536 1.00 0.00 C ATOM 431 CG GLN A 30 -7.580 -1.127 4.042 1.00 0.00 C ATOM 432 CD GLN A 30 -7.479 -1.048 5.549 1.00 0.00 C ATOM 433 OE1 GLN A 30 -7.011 -1.977 6.199 1.00 0.00 O ATOM 434 NE2 GLN A 30 -7.917 0.066 6.115 1.00 0.00 N ATOM 0 H GLN A 30 -8.896 -0.471 1.120 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.837 -2.806 2.607 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.038 0.109 3.079 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.677 -0.872 4.384 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.246 -2.110 3.710 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.906 -0.395 3.598 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.299 0.815 5.538 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.872 0.175 7.128 1.00 0.00 H new ATOM 443 N ALA A 31 -11.845 -1.532 2.300 1.00 0.00 N ATOM 444 CA ALA A 31 -13.272 -1.797 2.467 1.00 0.00 C ATOM 445 C ALA A 31 -13.778 -2.775 1.407 1.00 0.00 C ATOM 446 O ALA A 31 -14.619 -3.633 1.681 1.00 0.00 O ATOM 447 CB ALA A 31 -14.053 -0.487 2.412 1.00 0.00 C ATOM 0 H ALA A 31 -11.638 -0.690 1.763 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.427 -2.259 3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -15.116 -0.692 2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.714 0.173 3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.887 -0.005 1.449 1.00 0.00 H new ATOM 453 N THR A 32 -13.244 -2.637 0.200 1.00 0.00 N ATOM 454 CA THR A 32 -13.615 -3.496 -0.926 1.00 0.00 C ATOM 455 C THR A 32 -13.032 -4.893 -0.758 1.00 0.00 C ATOM 456 O THR A 32 -13.743 -5.888 -0.885 1.00 0.00 O ATOM 457 CB THR A 32 -13.139 -2.879 -2.248 1.00 0.00 C ATOM 458 OG1 THR A 32 -13.620 -1.554 -2.380 1.00 0.00 O ATOM 459 CG2 THR A 32 -13.592 -3.645 -3.470 1.00 0.00 C ATOM 0 H THR A 32 -12.544 -1.931 -0.029 1.00 0.00 H new ATOM 0 HA THR A 32 -14.702 -3.578 -0.947 1.00 0.00 H new ATOM 0 HB THR A 32 -12.050 -2.910 -2.202 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.882 -0.962 -2.637 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.219 -3.152 -4.368 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.203 -4.662 -3.427 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.681 -3.674 -3.498 1.00 0.00 H new ATOM 467 N THR A 33 -11.740 -4.966 -0.449 1.00 0.00 N ATOM 468 CA THR A 33 -11.076 -6.249 -0.245 1.00 0.00 C ATOM 469 C THR A 33 -11.717 -6.992 0.925 1.00 0.00 C ATOM 470 O THR A 33 -11.953 -8.197 0.846 1.00 0.00 O ATOM 471 CB THR A 33 -9.569 -6.066 -0.008 1.00 0.00 C ATOM 472 OG1 THR A 33 -8.883 -7.282 -0.240 1.00 0.00 O ATOM 473 CG2 THR A 33 -9.212 -5.605 1.392 1.00 0.00 C ATOM 0 H THR A 33 -11.134 -4.154 -0.335 1.00 0.00 H new ATOM 0 HA THR A 33 -11.199 -6.843 -1.151 1.00 0.00 H new ATOM 0 HB THR A 33 -9.268 -5.286 -0.708 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.924 -7.151 -0.087 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.130 -5.500 1.476 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.686 -4.644 1.590 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.563 -6.339 2.117 1.00 0.00 H new ATOM 481 N ASN A 34 -12.040 -6.256 1.998 1.00 0.00 N ATOM 482 CA ASN A 34 -12.694 -6.838 3.159 1.00 0.00 C ATOM 483 C ASN A 34 -13.954 -7.564 2.702 1.00 0.00 C ATOM 484 O ASN A 34 -14.126 -8.759 2.953 1.00 0.00 O ATOM 485 CB ASN A 34 -13.034 -5.735 4.162 1.00 0.00 C ATOM 486 CG ASN A 34 -12.475 -6.003 5.546 1.00 0.00 C ATOM 487 OD1 ASN A 34 -12.987 -6.838 6.285 1.00 0.00 O ATOM 488 ND2 ASN A 34 -11.417 -5.289 5.902 1.00 0.00 N ATOM 0 H ASN A 34 -11.855 -5.256 2.078 1.00 0.00 H new ATOM 0 HA ASN A 34 -12.031 -7.552 3.648 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.644 -4.785 3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.117 -5.631 4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.997 -5.424 6.822 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.023 -4.605 5.256 1.00 0.00 H new ATOM 495 N ALA A 35 -14.812 -6.837 1.983 1.00 0.00 N ATOM 496 CA ALA A 35 -16.031 -7.408 1.438 1.00 0.00 C ATOM 497 C ALA A 35 -15.693 -8.500 0.428 1.00 0.00 C ATOM 498 O ALA A 35 -16.370 -9.516 0.357 1.00 0.00 O ATOM 499 CB ALA A 35 -16.890 -6.326 0.799 1.00 0.00 C ATOM 0 H ALA A 35 -14.678 -5.849 1.768 1.00 0.00 H new ATOM 0 HA ALA A 35 -16.603 -7.855 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -17.799 -6.773 0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -17.154 -5.581 1.549 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -16.333 -5.848 -0.007 1.00 0.00 H new ATOM 505 N ARG A 36 -14.621 -8.292 -0.333 1.00 0.00 N ATOM 506 CA ARG A 36 -14.171 -9.265 -1.319 1.00 0.00 C ATOM 507 C ARG A 36 -13.821 -10.592 -0.656 1.00 0.00 C ATOM 508 O ARG A 36 -14.029 -11.663 -1.222 1.00 0.00 O ATOM 509 CB ARG A 36 -12.958 -8.727 -2.049 1.00 0.00 C ATOM 510 CG ARG A 36 -13.309 -7.912 -3.275 1.00 0.00 C ATOM 511 CD ARG A 36 -12.238 -8.033 -4.335 1.00 0.00 C ATOM 512 NE ARG A 36 -11.068 -7.254 -3.963 1.00 0.00 N ATOM 513 CZ ARG A 36 -9.913 -7.261 -4.616 1.00 0.00 C ATOM 514 NH1 ARG A 36 -9.739 -8.044 -5.662 1.00 0.00 N ATOM 515 NH2 ARG A 36 -8.935 -6.478 -4.224 1.00 0.00 N ATOM 0 H ARG A 36 -14.046 -7.451 -0.283 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.982 -9.436 -2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.376 -8.109 -1.365 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.322 -9.561 -2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.264 -8.249 -3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.433 -6.865 -2.996 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.961 -9.079 -4.463 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.625 -7.686 -5.293 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.141 -6.658 -3.139 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.496 -8.651 -5.976 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.847 -8.042 -6.158 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.064 -5.866 -3.419 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.046 -6.482 -4.725 1.00 0.00 H new ATOM 529 N ILE A 37 -13.287 -10.521 0.551 1.00 0.00 N ATOM 530 CA ILE A 37 -12.922 -11.728 1.275 1.00 0.00 C ATOM 531 C ILE A 37 -14.167 -12.530 1.635 1.00 0.00 C ATOM 532 O ILE A 37 -14.199 -13.750 1.447 1.00 0.00 O ATOM 533 CB ILE A 37 -12.114 -11.412 2.552 1.00 0.00 C ATOM 534 CG1 ILE A 37 -10.798 -10.726 2.187 1.00 0.00 C ATOM 535 CG2 ILE A 37 -11.846 -12.682 3.349 1.00 0.00 C ATOM 536 CD1 ILE A 37 -10.005 -10.258 3.386 1.00 0.00 C ATOM 0 H ILE A 37 -13.098 -9.650 1.047 1.00 0.00 H new ATOM 0 HA ILE A 37 -12.287 -12.321 0.616 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.702 -10.737 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.187 -11.417 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -11.010 -9.870 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.275 -12.436 4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.793 -13.138 3.636 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.277 -13.382 2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.084 -9.781 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.597 -9.542 3.957 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -9.761 -11.113 4.017 1.00 0.00 H new ATOM 548 N LEU A 38 -15.189 -11.841 2.135 1.00 0.00 N ATOM 549 CA LEU A 38 -16.445 -12.487 2.512 1.00 0.00 C ATOM 550 C LEU A 38 -17.436 -12.560 1.337 1.00 0.00 C ATOM 551 O LEU A 38 -18.453 -13.248 1.430 1.00 0.00 O ATOM 552 CB LEU A 38 -17.084 -11.749 3.694 1.00 0.00 C ATOM 553 CG LEU A 38 -17.722 -10.397 3.357 1.00 0.00 C ATOM 554 CD1 LEU A 38 -19.236 -10.485 3.450 1.00 0.00 C ATOM 555 CD2 LEU A 38 -17.197 -9.315 4.286 1.00 0.00 C ATOM 0 H LEU A 38 -15.173 -10.833 2.289 1.00 0.00 H new ATOM 0 HA LEU A 38 -16.209 -13.510 2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -17.847 -12.392 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -16.322 -11.592 4.457 1.00 0.00 H new ATOM 0 HG LEU A 38 -17.453 -10.135 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -19.672 -9.516 3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -19.601 -11.234 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.522 -10.769 4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.660 -8.362 4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.438 -9.573 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.116 -9.234 4.175 1.00 0.00 H new ATOM 567 N ALA A 39 -17.148 -11.849 0.242 1.00 0.00 N ATOM 568 CA ALA A 39 -18.029 -11.842 -0.919 1.00 0.00 C ATOM 569 C ALA A 39 -17.247 -11.567 -2.205 1.00 0.00 C ATOM 570 O ALA A 39 -17.556 -10.642 -2.958 1.00 0.00 O ATOM 571 CB ALA A 39 -19.143 -10.821 -0.726 1.00 0.00 C ATOM 0 H ALA A 39 -16.312 -11.273 0.140 1.00 0.00 H new ATOM 0 HA ALA A 39 -18.478 -12.830 -1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.795 -10.824 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.723 -11.078 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.709 -9.829 -0.601 1.00 0.00 H new ATOM 577 N ARG A 40 -16.219 -12.377 -2.432 1.00 0.00 N ATOM 578 CA ARG A 40 -15.358 -12.249 -3.600 1.00 0.00 C ATOM 579 C ARG A 40 -16.148 -12.337 -4.906 1.00 0.00 C ATOM 580 O ARG A 40 -15.895 -11.585 -5.848 1.00 0.00 O ATOM 581 CB ARG A 40 -14.278 -13.332 -3.548 1.00 0.00 C ATOM 582 CG ARG A 40 -12.866 -12.811 -3.770 1.00 0.00 C ATOM 583 CD ARG A 40 -11.855 -13.561 -2.914 1.00 0.00 C ATOM 584 NE ARG A 40 -12.398 -13.904 -1.591 1.00 0.00 N ATOM 585 CZ ARG A 40 -12.149 -15.042 -0.942 1.00 0.00 C ATOM 586 NH1 ARG A 40 -11.329 -15.945 -1.450 1.00 0.00 N ATOM 587 NH2 ARG A 40 -12.719 -15.274 0.224 1.00 0.00 N ATOM 0 H ARG A 40 -15.959 -13.142 -1.809 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.893 -11.263 -3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -14.323 -13.828 -2.579 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.498 -14.087 -4.303 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.600 -12.913 -4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.828 -11.748 -3.533 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.551 -14.473 -3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.960 -12.950 -2.791 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.008 -13.224 -1.138 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.878 -15.776 -2.349 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.147 -16.811 -0.943 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.350 -14.583 0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.529 -16.144 0.721 1.00 0.00 H new ATOM 601 N VAL A 41 -17.101 -13.259 -4.946 1.00 0.00 N ATOM 602 CA VAL A 41 -17.943 -13.463 -6.124 1.00 0.00 C ATOM 603 C VAL A 41 -19.362 -13.858 -5.716 1.00 0.00 C ATOM 604 O VAL A 41 -19.509 -14.588 -4.710 1.00 0.00 O ATOM 605 CB VAL A 41 -17.365 -14.549 -7.062 1.00 0.00 C ATOM 606 CG1 VAL A 41 -18.009 -14.465 -8.438 1.00 0.00 C ATOM 607 CG2 VAL A 41 -15.852 -14.426 -7.176 1.00 0.00 C ATOM 608 OXT VAL A 41 -20.314 -13.432 -6.403 1.00 0.00 O ATOM 0 H VAL A 41 -17.314 -13.885 -4.169 1.00 0.00 H new ATOM 0 HA VAL A 41 -17.967 -12.515 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 41 -17.594 -15.523 -6.629 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.590 -15.237 -9.084 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -19.085 -14.614 -8.346 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.814 -13.484 -8.872 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -15.473 -15.202 -7.841 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -15.596 -13.446 -7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -15.402 -14.542 -6.190 1.00 0.00 H new TER 618 VAL A 41