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 -121:sc= 0.77 USER MOD Single : A 16 GLN : amide:sc= -2.92! C(o=-2.9!,f=-3.9!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.113 X(o=0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 4 14.697 -5.880 3.914 1.00 0.00 N ATOM 2 CA ILE A 4 14.285 -6.980 2.996 1.00 0.00 C ATOM 3 C ILE A 4 15.380 -7.290 1.970 1.00 0.00 C ATOM 4 O ILE A 4 15.965 -8.371 1.996 1.00 0.00 O ATOM 5 CB ILE A 4 12.966 -6.640 2.257 1.00 0.00 C ATOM 6 CG1 ILE A 4 11.802 -6.565 3.249 1.00 0.00 C ATOM 7 CG2 ILE A 4 12.668 -7.673 1.179 1.00 0.00 C ATOM 8 CD1 ILE A 4 11.453 -5.154 3.673 1.00 0.00 C ATOM 0 HA ILE A 4 14.122 -7.862 3.616 1.00 0.00 H new ATOM 0 HB ILE A 4 13.086 -5.667 1.780 1.00 0.00 H new ATOM 0 HG12 ILE A 4 10.923 -7.028 2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 4 12.053 -7.149 4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 4 11.738 -7.414 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 4 13.482 -7.688 0.455 1.00 0.00 H new ATOM 0 HG23 ILE A 4 12.570 -8.658 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 4 10.620 -5.181 4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 4 12.317 -4.694 4.152 1.00 0.00 H new ATOM 0 HD13 ILE A 4 11.170 -4.570 2.797 1.00 0.00 H new ATOM 22 N VAL A 5 15.654 -6.344 1.068 1.00 0.00 N ATOM 23 CA VAL A 5 16.681 -6.538 0.043 1.00 0.00 C ATOM 24 C VAL A 5 18.050 -6.051 0.526 1.00 0.00 C ATOM 25 O VAL A 5 18.938 -6.858 0.800 1.00 0.00 O ATOM 26 CB VAL A 5 16.309 -5.821 -1.278 1.00 0.00 C ATOM 27 CG1 VAL A 5 17.447 -5.911 -2.284 1.00 0.00 C ATOM 28 CG2 VAL A 5 15.033 -6.409 -1.862 1.00 0.00 C ATOM 0 H VAL A 5 15.182 -5.441 1.027 1.00 0.00 H new ATOM 0 HA VAL A 5 16.737 -7.610 -0.148 1.00 0.00 H new ATOM 0 HB VAL A 5 16.136 -4.768 -1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 5 17.161 -5.400 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 5 18.338 -5.440 -1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 5 17.658 -6.958 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.786 -5.893 -2.790 1.00 0.00 H new ATOM 0 HG22 VAL A 5 15.181 -7.470 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.217 -6.286 -1.150 1.00 0.00 H new ATOM 38 N LEU A 6 18.217 -4.732 0.627 1.00 0.00 N ATOM 39 CA LEU A 6 19.479 -4.151 1.074 1.00 0.00 C ATOM 40 C LEU A 6 19.264 -3.186 2.246 1.00 0.00 C ATOM 41 O LEU A 6 19.413 -3.568 3.405 1.00 0.00 O ATOM 42 CB LEU A 6 20.163 -3.436 -0.097 1.00 0.00 C ATOM 43 CG LEU A 6 21.385 -4.153 -0.663 1.00 0.00 C ATOM 44 CD1 LEU A 6 21.726 -3.615 -2.042 1.00 0.00 C ATOM 45 CD2 LEU A 6 22.572 -4.005 0.274 1.00 0.00 C ATOM 0 H LEU A 6 17.494 -4.048 0.405 1.00 0.00 H new ATOM 0 HA LEU A 6 20.124 -4.956 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 6 19.435 -3.303 -0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 6 20.463 -2.440 0.230 1.00 0.00 H new ATOM 0 HG LEU A 6 21.149 -5.213 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 6 22.600 -4.138 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 6 20.881 -3.772 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 6 21.942 -2.549 -1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 6 23.434 -4.523 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 6 22.808 -2.948 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 6 22.326 -4.438 1.244 1.00 0.00 H new ATOM 57 N SER A 7 18.913 -1.936 1.933 1.00 0.00 N ATOM 58 CA SER A 7 18.680 -0.921 2.952 1.00 0.00 C ATOM 59 C SER A 7 17.247 -0.403 2.890 1.00 0.00 C ATOM 60 O SER A 7 16.448 -0.654 3.790 1.00 0.00 O ATOM 61 CB SER A 7 19.666 0.240 2.776 1.00 0.00 C ATOM 62 OG SER A 7 19.088 1.483 3.165 1.00 0.00 O ATOM 0 H SER A 7 18.785 -1.606 0.976 1.00 0.00 H new ATOM 0 HA SER A 7 18.836 -1.378 3.929 1.00 0.00 H new ATOM 0 HB2 SER A 7 20.560 0.052 3.371 1.00 0.00 H new ATOM 0 HB3 SER A 7 19.982 0.295 1.734 1.00 0.00 H new ATOM 0 HG SER A 7 19.101 2.102 2.405 1.00 0.00 H new ATOM 68 N LEU A 8 16.946 0.340 1.823 1.00 0.00 N ATOM 69 CA LEU A 8 15.619 0.928 1.624 1.00 0.00 C ATOM 70 C LEU A 8 15.365 2.078 2.608 1.00 0.00 C ATOM 71 O LEU A 8 14.234 2.540 2.750 1.00 0.00 O ATOM 72 CB LEU A 8 14.524 -0.141 1.754 1.00 0.00 C ATOM 73 CG LEU A 8 14.776 -1.437 0.975 1.00 0.00 C ATOM 74 CD1 LEU A 8 14.786 -2.631 1.914 1.00 0.00 C ATOM 75 CD2 LEU A 8 13.727 -1.623 -0.107 1.00 0.00 C ATOM 0 H LEU A 8 17.610 0.550 1.077 1.00 0.00 H new ATOM 0 HA LEU A 8 15.587 1.336 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 8 14.404 -0.388 2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 8 13.580 0.287 1.418 1.00 0.00 H new ATOM 0 HG LEU A 8 15.754 -1.364 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 8 14.966 -3.542 1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.576 -2.505 2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 8 13.823 -2.704 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.923 -2.548 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 8 12.738 -1.672 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.765 -0.782 -0.799 1.00 0.00 H new ATOM 87 N ASP A 9 16.430 2.550 3.267 1.00 0.00 N ATOM 88 CA ASP A 9 16.320 3.656 4.216 1.00 0.00 C ATOM 89 C ASP A 9 16.463 4.994 3.494 1.00 0.00 C ATOM 90 O ASP A 9 15.604 5.866 3.616 1.00 0.00 O ATOM 91 CB ASP A 9 17.382 3.530 5.312 1.00 0.00 C ATOM 92 CG ASP A 9 16.812 3.742 6.698 1.00 0.00 C ATOM 93 OD1 ASP A 9 16.314 4.854 6.970 1.00 0.00 O ATOM 94 OD2 ASP A 9 16.862 2.796 7.508 1.00 0.00 O ATOM 0 H ASP A 9 17.375 2.182 3.158 1.00 0.00 H new ATOM 0 HA ASP A 9 15.335 3.614 4.680 1.00 0.00 H new ATOM 0 HB2 ASP A 9 17.840 2.542 5.258 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.173 4.258 5.133 1.00 0.00 H new ATOM 99 N VAL A 10 17.548 5.141 2.726 1.00 0.00 N ATOM 100 CA VAL A 10 17.793 6.368 1.966 1.00 0.00 C ATOM 101 C VAL A 10 16.516 6.834 1.256 1.00 0.00 C ATOM 102 O VAL A 10 16.120 7.995 1.380 1.00 0.00 O ATOM 103 CB VAL A 10 18.931 6.181 0.933 1.00 0.00 C ATOM 104 CG1 VAL A 10 18.971 7.342 -0.051 1.00 0.00 C ATOM 105 CG2 VAL A 10 20.271 6.039 1.636 1.00 0.00 C ATOM 0 H VAL A 10 18.268 4.427 2.615 1.00 0.00 H new ATOM 0 HA VAL A 10 18.102 7.132 2.679 1.00 0.00 H new ATOM 0 HB VAL A 10 18.731 5.267 0.374 1.00 0.00 H new ATOM 0 HG11 VAL A 10 19.779 7.186 -0.765 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.022 7.400 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.141 8.272 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 10 21.059 5.908 0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 10 20.470 6.935 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 10 20.246 5.171 2.295 1.00 0.00 H new ATOM 115 N PRO A 11 15.829 5.929 0.518 1.00 0.00 N ATOM 116 CA PRO A 11 14.589 6.264 -0.175 1.00 0.00 C ATOM 117 C PRO A 11 13.372 6.190 0.732 1.00 0.00 C ATOM 118 O PRO A 11 12.337 5.621 0.369 1.00 0.00 O ATOM 119 CB PRO A 11 14.519 5.215 -1.275 1.00 0.00 C ATOM 120 CG PRO A 11 15.209 4.016 -0.713 1.00 0.00 C ATOM 121 CD PRO A 11 16.192 4.513 0.320 1.00 0.00 C ATOM 0 HA PRO A 11 14.586 7.289 -0.545 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.486 4.988 -1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.010 5.563 -2.184 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.489 3.333 -0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.723 3.463 -1.499 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.112 3.948 1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.220 4.411 -0.028 1.00 0.00 H new ATOM 129 N ILE A 12 13.493 6.794 1.907 1.00 0.00 N ATOM 130 CA ILE A 12 12.403 6.818 2.856 1.00 0.00 C ATOM 131 C ILE A 12 11.206 7.569 2.275 1.00 0.00 C ATOM 132 O ILE A 12 10.059 7.294 2.622 1.00 0.00 O ATOM 133 CB ILE A 12 12.850 7.432 4.207 1.00 0.00 C ATOM 134 CG1 ILE A 12 13.188 6.309 5.195 1.00 0.00 C ATOM 135 CG2 ILE A 12 11.794 8.374 4.782 1.00 0.00 C ATOM 136 CD1 ILE A 12 12.193 6.146 6.325 1.00 0.00 C ATOM 0 H ILE A 12 14.338 7.272 2.220 1.00 0.00 H new ATOM 0 HA ILE A 12 12.097 5.790 3.051 1.00 0.00 H new ATOM 0 HB ILE A 12 13.742 8.033 4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.254 5.369 4.648 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.173 6.501 5.620 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.147 8.782 5.729 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.612 9.189 4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 12 10.867 7.824 4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.511 5.330 6.975 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.142 7.070 6.901 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.209 5.920 5.914 1.00 0.00 H new ATOM 148 N GLY A 13 11.480 8.492 1.353 1.00 0.00 N ATOM 149 CA GLY A 13 10.410 9.230 0.711 1.00 0.00 C ATOM 150 C GLY A 13 9.652 8.358 -0.262 1.00 0.00 C ATOM 151 O GLY A 13 8.426 8.427 -0.345 1.00 0.00 O ATOM 0 H GLY A 13 12.420 8.739 1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.726 9.615 1.467 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.823 10.091 0.186 1.00 0.00 H new ATOM 155 N LEU A 14 10.387 7.508 -0.978 1.00 0.00 N ATOM 156 CA LEU A 14 9.784 6.587 -1.942 1.00 0.00 C ATOM 157 C LEU A 14 8.810 5.647 -1.236 1.00 0.00 C ATOM 158 O LEU A 14 7.749 5.318 -1.767 1.00 0.00 O ATOM 159 CB LEU A 14 10.863 5.771 -2.671 1.00 0.00 C ATOM 160 CG LEU A 14 12.132 6.535 -3.063 1.00 0.00 C ATOM 161 CD1 LEU A 14 12.951 5.727 -4.054 1.00 0.00 C ATOM 162 CD2 LEU A 14 11.792 7.894 -3.648 1.00 0.00 C ATOM 0 H LEU A 14 11.402 7.438 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 14 9.241 7.177 -2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.149 4.933 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.423 5.349 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 14 12.723 6.691 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.849 6.283 -4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 14 13.234 4.776 -3.602 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.358 5.541 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.711 8.414 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.175 7.763 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.245 8.481 -2.910 1.00 0.00 H new ATOM 174 N LEU A 15 9.179 5.236 -0.026 1.00 0.00 N ATOM 175 CA LEU A 15 8.334 4.346 0.771 1.00 0.00 C ATOM 176 C LEU A 15 7.288 5.136 1.560 1.00 0.00 C ATOM 177 O LEU A 15 6.227 4.606 1.889 1.00 0.00 O ATOM 178 CB LEU A 15 9.180 3.473 1.706 1.00 0.00 C ATOM 179 CG LEU A 15 10.056 4.231 2.703 1.00 0.00 C ATOM 180 CD1 LEU A 15 9.341 4.389 4.034 1.00 0.00 C ATOM 181 CD2 LEU A 15 11.384 3.518 2.894 1.00 0.00 C ATOM 0 H LEU A 15 10.054 5.503 0.425 1.00 0.00 H new ATOM 0 HA LEU A 15 7.806 3.687 0.082 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.513 2.815 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.821 2.835 1.097 1.00 0.00 H new ATOM 0 HG LEU A 15 10.252 5.225 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.982 4.931 4.729 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.415 4.944 3.886 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.112 3.405 4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.995 4.072 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.206 2.512 3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.906 3.458 1.939 1.00 0.00 H new ATOM 193 N GLN A 16 7.574 6.413 1.831 1.00 0.00 N ATOM 194 CA GLN A 16 6.640 7.270 2.541 1.00 0.00 C ATOM 195 C GLN A 16 5.425 7.519 1.658 1.00 0.00 C ATOM 196 O GLN A 16 4.286 7.504 2.120 1.00 0.00 O ATOM 197 CB GLN A 16 7.306 8.601 2.918 1.00 0.00 C ATOM 198 CG GLN A 16 8.001 8.589 4.275 1.00 0.00 C ATOM 199 CD GLN A 16 7.132 8.032 5.386 1.00 0.00 C ATOM 200 OE1 GLN A 16 6.133 8.634 5.770 1.00 0.00 O ATOM 201 NE2 GLN A 16 7.510 6.877 5.912 1.00 0.00 N ATOM 0 H GLN A 16 8.447 6.869 1.566 1.00 0.00 H new ATOM 0 HA GLN A 16 6.328 6.777 3.462 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.036 8.860 2.151 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.550 9.386 2.916 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.913 7.996 4.204 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.301 9.605 4.532 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.347 6.408 5.565 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.964 6.456 6.664 1.00 0.00 H new ATOM 210 N ILE A 17 5.682 7.716 0.366 1.00 0.00 N ATOM 211 CA ILE A 17 4.611 7.940 -0.603 1.00 0.00 C ATOM 212 C ILE A 17 3.670 6.742 -0.655 1.00 0.00 C ATOM 213 O ILE A 17 2.447 6.903 -0.748 1.00 0.00 O ATOM 214 CB ILE A 17 5.180 8.225 -2.013 1.00 0.00 C ATOM 215 CG1 ILE A 17 5.977 9.532 -2.002 1.00 0.00 C ATOM 216 CG2 ILE A 17 4.062 8.284 -3.045 1.00 0.00 C ATOM 217 CD1 ILE A 17 6.135 10.165 -3.367 1.00 0.00 C ATOM 0 H ILE A 17 6.621 7.725 -0.033 1.00 0.00 H new ATOM 0 HA ILE A 17 4.051 8.816 -0.275 1.00 0.00 H new ATOM 0 HB ILE A 17 5.849 7.410 -2.290 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.483 10.242 -1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.965 9.340 -1.585 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.485 8.485 -4.029 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.535 7.330 -3.065 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.364 9.079 -2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.711 11.086 -3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.657 9.475 -4.030 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.152 10.391 -3.779 1.00 0.00 H new ATOM 229 N LEU A 18 4.244 5.542 -0.557 1.00 0.00 N ATOM 230 CA LEU A 18 3.459 4.309 -0.562 1.00 0.00 C ATOM 231 C LEU A 18 2.503 4.251 0.635 1.00 0.00 C ATOM 232 O LEU A 18 1.605 3.412 0.676 1.00 0.00 O ATOM 233 CB LEU A 18 4.384 3.088 -0.564 1.00 0.00 C ATOM 234 CG LEU A 18 5.313 2.978 -1.776 1.00 0.00 C ATOM 235 CD1 LEU A 18 6.511 2.101 -1.452 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.562 2.426 -2.976 1.00 0.00 C ATOM 0 H LEU A 18 5.250 5.399 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 18 2.858 4.299 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.993 3.112 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.772 2.188 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 18 5.673 3.977 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.160 2.034 -2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.065 2.535 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.168 1.103 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.239 2.355 -3.828 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.173 1.436 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.735 3.091 -3.225 1.00 0.00 H new ATOM 248 N LEU A 19 2.681 5.162 1.596 1.00 0.00 N ATOM 249 CA LEU A 19 1.810 5.225 2.768 1.00 0.00 C ATOM 250 C LEU A 19 1.219 6.630 2.931 1.00 0.00 C ATOM 251 O LEU A 19 0.556 6.921 3.932 1.00 0.00 O ATOM 252 CB LEU A 19 2.561 4.798 4.037 1.00 0.00 C ATOM 253 CG LEU A 19 3.885 5.519 4.293 1.00 0.00 C ATOM 254 CD1 LEU A 19 3.654 6.811 5.059 1.00 0.00 C ATOM 255 CD2 LEU A 19 4.845 4.617 5.049 1.00 0.00 C ATOM 0 H LEU A 19 3.420 5.865 1.583 1.00 0.00 H new ATOM 0 HA LEU A 19 0.988 4.526 2.614 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.909 4.958 4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.756 3.727 3.980 1.00 0.00 H new ATOM 0 HG LEU A 19 4.330 5.767 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.609 7.308 5.231 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.003 7.466 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.184 6.587 6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.782 5.147 5.222 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.404 4.337 6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.039 3.719 4.462 1.00 0.00 H new ATOM 267 N GLU A 20 1.454 7.492 1.938 1.00 0.00 N ATOM 268 CA GLU A 20 0.946 8.852 1.947 1.00 0.00 C ATOM 269 C GLU A 20 -0.133 9.011 0.885 1.00 0.00 C ATOM 270 O GLU A 20 -1.272 9.374 1.188 1.00 0.00 O ATOM 271 CB GLU A 20 2.087 9.830 1.693 1.00 0.00 C ATOM 272 CG GLU A 20 2.903 10.140 2.935 1.00 0.00 C ATOM 273 CD GLU A 20 2.934 11.617 3.263 1.00 0.00 C ATOM 274 OE1 GLU A 20 3.704 12.352 2.613 1.00 0.00 O ATOM 275 OE2 GLU A 20 2.186 12.036 4.170 1.00 0.00 O ATOM 0 H GLU A 20 2.002 7.260 1.110 1.00 0.00 H new ATOM 0 HA GLU A 20 0.509 9.066 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.745 9.418 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.678 10.759 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.489 9.593 3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.923 9.783 2.793 1.00 0.00 H new ATOM 282 N GLN A 21 0.221 8.702 -0.362 1.00 0.00 N ATOM 283 CA GLN A 21 -0.734 8.782 -1.460 1.00 0.00 C ATOM 284 C GLN A 21 -1.535 7.491 -1.571 1.00 0.00 C ATOM 285 O GLN A 21 -2.550 7.430 -2.270 1.00 0.00 O ATOM 286 CB GLN A 21 -0.026 9.107 -2.779 1.00 0.00 C ATOM 287 CG GLN A 21 0.760 7.940 -3.359 1.00 0.00 C ATOM 288 CD GLN A 21 0.708 7.895 -4.873 1.00 0.00 C ATOM 289 OE1 GLN A 21 -0.077 7.152 -5.455 1.00 0.00 O ATOM 290 NE2 GLN A 21 1.546 8.692 -5.520 1.00 0.00 N ATOM 0 H GLN A 21 1.156 8.396 -0.633 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.430 9.594 -1.248 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.768 9.431 -3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.652 9.946 -2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.799 8.011 -3.037 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.365 7.006 -2.958 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.183 9.294 -4.998 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.554 8.703 -6.540 1.00 0.00 H new ATOM 299 N ALA A 22 -1.097 6.478 -0.834 1.00 0.00 N ATOM 300 CA ALA A 22 -1.789 5.204 -0.799 1.00 0.00 C ATOM 301 C ALA A 22 -2.956 5.275 0.184 1.00 0.00 C ATOM 302 O ALA A 22 -3.853 4.438 0.146 1.00 0.00 O ATOM 303 CB ALA A 22 -0.835 4.080 -0.426 1.00 0.00 C ATOM 0 H ALA A 22 -0.261 6.519 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.181 4.990 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.377 3.134 -0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.034 4.024 -1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.410 4.275 0.559 1.00 0.00 H new ATOM 309 N ARG A 23 -2.953 6.296 1.051 1.00 0.00 N ATOM 310 CA ARG A 23 -4.030 6.481 2.026 1.00 0.00 C ATOM 311 C ARG A 23 -5.389 6.460 1.330 1.00 0.00 C ATOM 312 O ARG A 23 -6.200 5.563 1.556 1.00 0.00 O ATOM 313 CB ARG A 23 -3.846 7.802 2.780 1.00 0.00 C ATOM 314 CG ARG A 23 -2.523 7.907 3.522 1.00 0.00 C ATOM 315 CD ARG A 23 -2.521 7.074 4.791 1.00 0.00 C ATOM 316 NE ARG A 23 -1.251 7.214 5.512 1.00 0.00 N ATOM 317 CZ ARG A 23 -1.132 7.434 6.816 1.00 0.00 C ATOM 318 NH1 ARG A 23 -2.195 7.493 7.598 1.00 0.00 N ATOM 319 NH2 ARG A 23 0.068 7.582 7.340 1.00 0.00 N ATOM 0 H ARG A 23 -2.219 7.003 1.095 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.991 5.660 2.742 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.921 8.627 2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.662 7.919 3.493 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.714 7.578 2.870 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.328 8.950 3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.344 7.384 5.435 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.688 6.026 4.542 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.391 7.136 4.969 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.127 7.369 7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.084 7.663 8.598 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.895 7.527 6.745 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.170 7.751 8.341 1.00 0.00 H new ATOM 333 N ALA A 24 -5.621 7.446 0.464 1.00 0.00 N ATOM 334 CA ALA A 24 -6.874 7.536 -0.287 1.00 0.00 C ATOM 335 C ALA A 24 -6.963 6.464 -1.376 1.00 0.00 C ATOM 336 O ALA A 24 -8.027 6.263 -1.972 1.00 0.00 O ATOM 337 CB ALA A 24 -7.031 8.930 -0.883 1.00 0.00 C ATOM 0 H ALA A 24 -4.957 8.195 0.265 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.694 7.356 0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.967 8.985 -1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.041 9.669 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.197 9.135 -1.555 1.00 0.00 H new ATOM 343 N ARG A 25 -5.852 5.768 -1.627 1.00 0.00 N ATOM 344 CA ARG A 25 -5.812 4.713 -2.623 1.00 0.00 C ATOM 345 C ARG A 25 -6.218 3.385 -1.997 1.00 0.00 C ATOM 346 O ARG A 25 -7.073 2.676 -2.517 1.00 0.00 O ATOM 347 CB ARG A 25 -4.407 4.630 -3.215 1.00 0.00 C ATOM 348 CG ARG A 25 -4.339 4.977 -4.692 1.00 0.00 C ATOM 349 CD ARG A 25 -4.109 6.467 -4.891 1.00 0.00 C ATOM 350 NE ARG A 25 -5.229 7.261 -4.369 1.00 0.00 N ATOM 351 CZ ARG A 25 -6.061 7.984 -5.114 1.00 0.00 C ATOM 352 NH1 ARG A 25 -5.918 8.053 -6.425 1.00 0.00 N ATOM 353 NH2 ARG A 25 -7.046 8.643 -4.538 1.00 0.00 N ATOM 0 H ARG A 25 -4.966 5.923 -1.146 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.518 4.938 -3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.751 5.303 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.022 3.620 -3.071 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.534 4.415 -5.165 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.266 4.680 -5.182 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.187 6.764 -4.390 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.977 6.677 -5.952 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.380 7.258 -3.360 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -5.160 7.547 -6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.566 8.612 -6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.167 8.597 -3.526 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.687 9.199 -5.104 1.00 0.00 H new ATOM 367 N ALA A 26 -5.618 3.080 -0.858 1.00 0.00 N ATOM 368 CA ALA A 26 -5.929 1.862 -0.124 1.00 0.00 C ATOM 369 C ALA A 26 -7.246 2.007 0.635 1.00 0.00 C ATOM 370 O ALA A 26 -7.862 1.013 1.009 1.00 0.00 O ATOM 371 CB ALA A 26 -4.793 1.518 0.831 1.00 0.00 C ATOM 0 H ALA A 26 -4.907 3.664 -0.418 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.041 1.047 -0.839 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.038 0.605 1.374 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.874 1.368 0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.653 2.335 1.539 1.00 0.00 H new ATOM 377 N ALA A 27 -7.691 3.251 0.851 1.00 0.00 N ATOM 378 CA ALA A 27 -8.940 3.494 1.552 1.00 0.00 C ATOM 379 C ALA A 27 -10.111 2.888 0.795 1.00 0.00 C ATOM 380 O ALA A 27 -11.049 2.371 1.400 1.00 0.00 O ATOM 381 CB ALA A 27 -9.148 4.987 1.783 1.00 0.00 C ATOM 0 H ALA A 27 -7.203 4.094 0.549 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.885 3.008 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.089 5.146 2.309 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.326 5.380 2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.177 5.503 0.823 1.00 0.00 H new ATOM 387 N ARG A 28 -10.034 2.915 -0.533 1.00 0.00 N ATOM 388 CA ARG A 28 -11.090 2.322 -1.356 1.00 0.00 C ATOM 389 C ARG A 28 -10.924 0.808 -1.441 1.00 0.00 C ATOM 390 O ARG A 28 -11.856 0.085 -1.795 1.00 0.00 O ATOM 391 CB ARG A 28 -11.072 2.904 -2.764 1.00 0.00 C ATOM 392 CG ARG A 28 -9.836 2.512 -3.557 1.00 0.00 C ATOM 393 CD ARG A 28 -9.407 3.616 -4.493 1.00 0.00 C ATOM 394 NE ARG A 28 -9.389 4.896 -3.801 1.00 0.00 N ATOM 395 CZ ARG A 28 -10.136 5.945 -4.116 1.00 0.00 C ATOM 396 NH1 ARG A 28 -10.983 5.902 -5.129 1.00 0.00 N ATOM 397 NH2 ARG A 28 -10.040 7.041 -3.396 1.00 0.00 N ATOM 0 H ARG A 28 -9.266 3.333 -1.058 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.044 2.555 -0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.961 2.570 -3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.127 3.991 -2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.022 2.278 -2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.041 1.607 -4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.416 3.398 -4.891 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.088 3.665 -5.342 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.751 4.994 -3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.071 5.051 -5.685 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -11.549 6.720 -5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.396 7.077 -2.606 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.609 7.855 -3.628 1.00 0.00 H new ATOM 411 N GLU A 29 -9.725 0.342 -1.123 1.00 0.00 N ATOM 412 CA GLU A 29 -9.411 -1.075 -1.174 1.00 0.00 C ATOM 413 C GLU A 29 -9.595 -1.735 0.183 1.00 0.00 C ATOM 414 O GLU A 29 -10.093 -2.853 0.271 1.00 0.00 O ATOM 415 CB GLU A 29 -7.982 -1.260 -1.676 1.00 0.00 C ATOM 416 CG GLU A 29 -7.906 -1.548 -3.169 1.00 0.00 C ATOM 417 CD GLU A 29 -7.196 -2.847 -3.486 1.00 0.00 C ATOM 418 OE1 GLU A 29 -5.960 -2.824 -3.650 1.00 0.00 O ATOM 419 OE2 GLU A 29 -7.881 -3.888 -3.574 1.00 0.00 O ATOM 0 H GLU A 29 -8.949 0.932 -0.825 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.102 -1.559 -1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.407 -0.361 -1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.515 -2.079 -1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.916 -1.583 -3.578 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.389 -0.727 -3.666 1.00 0.00 H new ATOM 426 N GLN A 30 -9.206 -1.029 1.238 1.00 0.00 N ATOM 427 CA GLN A 30 -9.337 -1.530 2.603 1.00 0.00 C ATOM 428 C GLN A 30 -10.763 -2.005 2.875 1.00 0.00 C ATOM 429 O GLN A 30 -10.977 -3.009 3.560 1.00 0.00 O ATOM 430 CB GLN A 30 -8.932 -0.442 3.596 1.00 0.00 C ATOM 431 CG GLN A 30 -7.519 -0.615 4.133 1.00 0.00 C ATOM 432 CD GLN A 30 -7.441 -0.468 5.637 1.00 0.00 C ATOM 433 OE1 GLN A 30 -7.117 -1.414 6.348 1.00 0.00 O ATOM 434 NE2 GLN A 30 -7.734 0.723 6.133 1.00 0.00 N ATOM 0 H GLN A 30 -8.793 -0.099 1.174 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.672 -2.385 2.726 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -9.013 0.531 3.112 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.633 -0.442 4.431 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.145 -1.599 3.849 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.865 0.122 3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.999 1.484 5.508 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.695 0.880 7.140 1.00 0.00 H new ATOM 443 N ALA A 31 -11.729 -1.291 2.307 1.00 0.00 N ATOM 444 CA ALA A 31 -13.139 -1.644 2.456 1.00 0.00 C ATOM 445 C ALA A 31 -13.531 -2.722 1.448 1.00 0.00 C ATOM 446 O ALA A 31 -14.333 -3.612 1.745 1.00 0.00 O ATOM 447 CB ALA A 31 -14.016 -0.408 2.295 1.00 0.00 C ATOM 0 H ALA A 31 -11.562 -0.462 1.737 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.292 -2.044 3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -15.063 -0.688 2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.752 0.327 3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.861 0.022 1.306 1.00 0.00 H new ATOM 453 N THR A 32 -12.936 -2.642 0.263 1.00 0.00 N ATOM 454 CA THR A 32 -13.189 -3.609 -0.804 1.00 0.00 C ATOM 455 C THR A 32 -12.552 -4.953 -0.463 1.00 0.00 C ATOM 456 O THR A 32 -13.202 -5.990 -0.552 1.00 0.00 O ATOM 457 CB THR A 32 -12.663 -3.073 -2.149 1.00 0.00 C ATOM 458 OG1 THR A 32 -13.739 -2.747 -3.010 1.00 0.00 O ATOM 459 CG2 THR A 32 -11.764 -4.037 -2.902 1.00 0.00 C ATOM 0 H THR A 32 -12.269 -1.911 0.014 1.00 0.00 H new ATOM 0 HA THR A 32 -14.265 -3.757 -0.897 1.00 0.00 H new ATOM 0 HB THR A 32 -12.071 -2.198 -1.881 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.387 -2.407 -3.859 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.440 -3.578 -3.836 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.892 -4.273 -2.292 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.314 -4.953 -3.119 1.00 0.00 H new ATOM 467 N THR A 33 -11.285 -4.926 -0.053 1.00 0.00 N ATOM 468 CA THR A 33 -10.565 -6.146 0.320 1.00 0.00 C ATOM 469 C THR A 33 -11.284 -6.866 1.457 1.00 0.00 C ATOM 470 O THR A 33 -11.486 -8.079 1.400 1.00 0.00 O ATOM 471 CB THR A 33 -9.116 -5.832 0.718 1.00 0.00 C ATOM 472 OG1 THR A 33 -8.386 -7.027 0.921 1.00 0.00 O ATOM 473 CG2 THR A 33 -8.989 -5.009 1.982 1.00 0.00 C ATOM 0 H THR A 33 -10.734 -4.072 0.030 1.00 0.00 H new ATOM 0 HA THR A 33 -10.543 -6.802 -0.550 1.00 0.00 H new ATOM 0 HB THR A 33 -8.719 -5.248 -0.113 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.464 -6.809 1.173 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.935 -4.830 2.195 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.499 -4.055 1.848 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.441 -5.548 2.814 1.00 0.00 H new ATOM 481 N ASN A 34 -11.702 -6.104 2.472 1.00 0.00 N ATOM 482 CA ASN A 34 -12.426 -6.655 3.603 1.00 0.00 C ATOM 483 C ASN A 34 -13.606 -7.494 3.107 1.00 0.00 C ATOM 484 O ASN A 34 -13.775 -8.646 3.510 1.00 0.00 O ATOM 485 CB ASN A 34 -12.902 -5.506 4.491 1.00 0.00 C ATOM 486 CG ASN A 34 -12.354 -5.583 5.901 1.00 0.00 C ATOM 487 OD1 ASN A 34 -12.811 -6.375 6.718 1.00 0.00 O ATOM 488 ND2 ASN A 34 -11.364 -4.750 6.193 1.00 0.00 N ATOM 0 H ASN A 34 -11.546 -5.097 2.526 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.774 -7.306 4.186 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.603 -4.559 4.042 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.991 -5.511 4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.954 -4.753 7.127 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.013 -4.107 5.484 1.00 0.00 H new ATOM 495 N ALA A 35 -14.395 -6.913 2.203 1.00 0.00 N ATOM 496 CA ALA A 35 -15.533 -7.601 1.616 1.00 0.00 C ATOM 497 C ALA A 35 -15.076 -8.632 0.590 1.00 0.00 C ATOM 498 O ALA A 35 -15.655 -9.705 0.487 1.00 0.00 O ATOM 499 CB ALA A 35 -16.497 -6.598 0.993 1.00 0.00 C ATOM 0 H ALA A 35 -14.261 -5.961 1.863 1.00 0.00 H new ATOM 0 HA ALA A 35 -16.059 -8.133 2.408 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -17.344 -7.129 0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -16.855 -5.912 1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -15.983 -6.035 0.214 1.00 0.00 H new ATOM 505 N ARG A 36 -14.020 -8.312 -0.151 1.00 0.00 N ATOM 506 CA ARG A 36 -13.479 -9.225 -1.146 1.00 0.00 C ATOM 507 C ARG A 36 -13.018 -10.517 -0.483 1.00 0.00 C ATOM 508 O ARG A 36 -13.143 -11.592 -1.052 1.00 0.00 O ATOM 509 CB ARG A 36 -12.324 -8.563 -1.890 1.00 0.00 C ATOM 510 CG ARG A 36 -12.758 -7.806 -3.137 1.00 0.00 C ATOM 511 CD ARG A 36 -12.787 -8.703 -4.369 1.00 0.00 C ATOM 512 NE ARG A 36 -14.053 -9.438 -4.490 1.00 0.00 N ATOM 513 CZ ARG A 36 -14.534 -9.931 -5.625 1.00 0.00 C ATOM 514 NH1 ARG A 36 -13.885 -9.774 -6.762 1.00 0.00 N ATOM 515 NH2 ARG A 36 -15.671 -10.589 -5.614 1.00 0.00 N ATOM 0 H ARG A 36 -13.522 -7.425 -0.079 1.00 0.00 H new ATOM 0 HA ARG A 36 -14.262 -9.468 -1.864 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.815 -7.874 -1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.599 -9.327 -2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.748 -7.379 -2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.077 -6.973 -3.311 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.634 -8.096 -5.262 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.960 -9.412 -4.320 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.602 -9.580 -3.642 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.000 -9.268 -6.778 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.268 -10.159 -7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.177 -10.718 -4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.048 -10.971 -6.482 1.00 0.00 H new ATOM 529 N ILE A 37 -12.501 -10.410 0.733 1.00 0.00 N ATOM 530 CA ILE A 37 -12.054 -11.591 1.465 1.00 0.00 C ATOM 531 C ILE A 37 -13.219 -12.558 1.681 1.00 0.00 C ATOM 532 O ILE A 37 -13.084 -13.764 1.463 1.00 0.00 O ATOM 533 CB ILE A 37 -11.423 -11.214 2.825 1.00 0.00 C ATOM 534 CG1 ILE A 37 -10.115 -10.444 2.609 1.00 0.00 C ATOM 535 CG2 ILE A 37 -11.181 -12.455 3.674 1.00 0.00 C ATOM 536 CD1 ILE A 37 -8.940 -11.324 2.236 1.00 0.00 C ATOM 0 H ILE A 37 -12.381 -9.528 1.231 1.00 0.00 H new ATOM 0 HA ILE A 37 -11.288 -12.079 0.862 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.121 -10.571 3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.266 -9.704 1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.872 -9.897 3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.737 -12.164 4.626 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.129 -12.962 3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -10.504 -13.129 3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.052 -10.707 2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.761 -12.048 3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -9.161 -11.852 1.308 1.00 0.00 H new ATOM 548 N LEU A 38 -14.365 -12.018 2.093 1.00 0.00 N ATOM 549 CA LEU A 38 -15.565 -12.827 2.320 1.00 0.00 C ATOM 550 C LEU A 38 -16.416 -12.948 1.045 1.00 0.00 C ATOM 551 O LEU A 38 -17.320 -13.779 0.973 1.00 0.00 O ATOM 552 CB LEU A 38 -16.401 -12.223 3.454 1.00 0.00 C ATOM 553 CG LEU A 38 -17.070 -10.884 3.134 1.00 0.00 C ATOM 554 CD1 LEU A 38 -18.578 -11.045 3.047 1.00 0.00 C ATOM 555 CD2 LEU A 38 -16.707 -9.843 4.180 1.00 0.00 C ATOM 0 H LEU A 38 -14.489 -11.022 2.277 1.00 0.00 H new ATOM 0 HA LEU A 38 -15.242 -13.829 2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -17.174 -12.939 3.734 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.759 -12.090 4.325 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.705 -10.543 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -19.034 -10.082 2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -18.823 -11.758 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -18.960 -11.411 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.192 -8.898 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.043 -10.180 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.626 -9.703 4.195 1.00 0.00 H new ATOM 567 N ALA A 39 -16.122 -12.115 0.043 1.00 0.00 N ATOM 568 CA ALA A 39 -16.855 -12.125 -1.218 1.00 0.00 C ATOM 569 C ALA A 39 -15.902 -11.960 -2.405 1.00 0.00 C ATOM 570 O ALA A 39 -16.086 -11.091 -3.263 1.00 0.00 O ATOM 571 CB ALA A 39 -17.921 -11.035 -1.214 1.00 0.00 C ATOM 0 H ALA A 39 -15.375 -11.422 0.085 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.350 -13.090 -1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.462 -11.052 -2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.618 -11.211 -0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.446 -10.062 -1.085 1.00 0.00 H new ATOM 577 N ARG A 40 -14.861 -12.787 -2.414 1.00 0.00 N ATOM 578 CA ARG A 40 -13.827 -12.758 -3.444 1.00 0.00 C ATOM 579 C ARG A 40 -14.345 -13.120 -4.843 1.00 0.00 C ATOM 580 O ARG A 40 -13.695 -12.801 -5.843 1.00 0.00 O ATOM 581 CB ARG A 40 -12.686 -13.697 -3.045 1.00 0.00 C ATOM 582 CG ARG A 40 -11.313 -13.046 -3.108 1.00 0.00 C ATOM 583 CD ARG A 40 -10.737 -13.095 -4.512 1.00 0.00 C ATOM 584 NE ARG A 40 -9.685 -14.108 -4.633 1.00 0.00 N ATOM 585 CZ ARG A 40 -9.003 -14.349 -5.745 1.00 0.00 C ATOM 586 NH1 ARG A 40 -9.247 -13.657 -6.843 1.00 0.00 N ATOM 587 NH2 ARG A 40 -8.076 -15.284 -5.756 1.00 0.00 N ATOM 0 H ARG A 40 -14.710 -13.501 -1.702 1.00 0.00 H new ATOM 0 HA ARG A 40 -13.472 -11.730 -3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.861 -14.059 -2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.697 -14.568 -3.701 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.386 -12.009 -2.779 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.637 -13.552 -2.419 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.533 -13.311 -5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.332 -12.117 -4.773 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.462 -14.665 -3.808 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.964 -12.931 -6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.718 -13.848 -7.694 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.884 -15.821 -4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.550 -15.471 -6.610 1.00 0.00 H new ATOM 601 N VAL A 41 -15.502 -13.775 -4.917 1.00 0.00 N ATOM 602 CA VAL A 41 -16.081 -14.157 -6.203 1.00 0.00 C ATOM 603 C VAL A 41 -17.020 -13.060 -6.716 1.00 0.00 C ATOM 604 O VAL A 41 -18.215 -13.074 -6.355 1.00 0.00 O ATOM 605 CB VAL A 41 -16.844 -15.501 -6.114 1.00 0.00 C ATOM 606 CG1 VAL A 41 -17.224 -15.995 -7.501 1.00 0.00 C ATOM 607 CG2 VAL A 41 -16.013 -16.549 -5.386 1.00 0.00 C ATOM 608 OXT VAL A 41 -16.537 -12.174 -7.459 1.00 0.00 O ATOM 0 H VAL A 41 -16.055 -14.051 -4.105 1.00 0.00 H new ATOM 0 HA VAL A 41 -15.256 -14.284 -6.904 1.00 0.00 H new ATOM 0 HB VAL A 41 -17.758 -15.333 -5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.759 -16.941 -7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -17.864 -15.258 -7.987 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -16.322 -16.141 -8.095 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -16.570 -17.485 -5.336 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -15.079 -16.711 -5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -15.794 -16.203 -4.376 1.00 0.00 H new TER 618 VAL A 41