USER MOD reduce.3.24.130724 H: found=0, std=0, add=291, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 293 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 Set 1.1: A 7 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 11 THR OG1 : rot 103:sc= 0.897 USER MOD Single : A 5 SER OG : rot -23:sc= 0.187 USER MOD Single : A 13 HIS : no HE2:sc= 0.0267 K(o=0.027,f=-2.3!) USER MOD Single : A 17 THR OG1 : rot 104:sc= 1.41 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0652 K(o=-0.065,f=-0.94) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.942! C(o=-0.94!,f=-9.7!) USER MOD Single : A 33 GLN : amide:sc= 1.07 K(o=1.1,f=-0.032) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N SER A 5 -5.073 28.804 -4.898 1.00 0.00 N ATOM 44 CA SER A 5 -4.507 27.691 -5.672 1.00 0.00 C ATOM 45 C SER A 5 -3.120 27.307 -5.184 1.00 0.00 C ATOM 46 O SER A 5 -2.736 26.137 -5.218 1.00 0.00 O ATOM 47 CB SER A 5 -4.463 28.034 -7.164 1.00 0.00 C ATOM 48 OG SER A 5 -3.866 29.304 -7.376 1.00 0.00 O ATOM 0 HA SER A 5 -5.162 26.833 -5.523 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.901 27.270 -7.700 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.474 28.031 -7.572 1.00 0.00 H new ATOM 0 HG SER A 5 -3.944 29.842 -6.561 1.00 0.00 H new ATOM 54 N LEU A 6 -2.395 28.300 -4.715 1.00 0.00 N ATOM 55 CA LEU A 6 -1.042 28.103 -4.186 1.00 0.00 C ATOM 56 C LEU A 6 -1.053 27.074 -3.059 1.00 0.00 C ATOM 57 O LEU A 6 -0.204 26.183 -3.003 1.00 0.00 O ATOM 58 CB LEU A 6 -0.461 29.429 -3.681 1.00 0.00 C ATOM 59 CG LEU A 6 -0.549 30.599 -4.664 1.00 0.00 C ATOM 60 CD1 LEU A 6 -0.999 31.861 -3.952 1.00 0.00 C ATOM 61 CD2 LEU A 6 0.789 30.824 -5.349 1.00 0.00 C ATOM 0 H LEU A 6 -2.716 29.268 -4.685 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.412 27.732 -4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -0.979 29.707 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.586 29.272 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.288 30.351 -5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.056 32.682 -4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.981 31.698 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.284 32.111 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.706 31.660 -6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.548 31.049 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.074 29.925 -5.895 1.00 0.00 H new ATOM 73 N SER A 7 -2.041 27.194 -2.176 1.00 0.00 N ATOM 74 CA SER A 7 -2.194 26.267 -1.056 1.00 0.00 C ATOM 75 C SER A 7 -2.699 24.913 -1.546 1.00 0.00 C ATOM 76 O SER A 7 -2.312 23.867 -1.020 1.00 0.00 O ATOM 77 CB SER A 7 -3.152 26.843 -0.005 1.00 0.00 C ATOM 78 OG SER A 7 -3.596 25.842 0.901 1.00 0.00 O ATOM 0 H SER A 7 -2.750 27.926 -2.214 1.00 0.00 H new ATOM 0 HA SER A 7 -1.217 26.127 -0.594 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.652 27.639 0.547 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.012 27.292 -0.502 1.00 0.00 H new ATOM 0 HG SER A 7 -4.203 26.242 1.558 1.00 0.00 H new ATOM 84 N ILE A 8 -3.558 24.940 -2.558 1.00 0.00 N ATOM 85 CA ILE A 8 -4.118 23.716 -3.133 1.00 0.00 C ATOM 86 C ILE A 8 -3.060 22.900 -3.855 1.00 0.00 C ATOM 87 O ILE A 8 -2.952 21.690 -3.657 1.00 0.00 O ATOM 88 CB ILE A 8 -5.279 24.033 -4.099 1.00 0.00 C ATOM 89 CG1 ILE A 8 -6.388 24.785 -3.359 1.00 0.00 C ATOM 90 CG2 ILE A 8 -5.822 22.759 -4.735 1.00 0.00 C ATOM 91 CD1 ILE A 8 -7.322 23.888 -2.574 1.00 0.00 C ATOM 0 H ILE A 8 -3.885 25.799 -3.001 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.502 23.124 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.899 24.669 -4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.933 25.504 -2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.971 25.356 -4.082 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.639 23.010 -5.411 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.028 22.264 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.188 22.091 -3.956 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.079 24.496 -2.079 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.807 23.185 -3.252 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.753 23.336 -1.826 1.00 0.00 H new ATOM 103 N ASP A 9 -2.286 23.580 -4.675 1.00 0.00 N ATOM 104 CA ASP A 9 -1.213 22.953 -5.449 1.00 0.00 C ATOM 105 C ASP A 9 -0.386 22.004 -4.583 1.00 0.00 C ATOM 106 O ASP A 9 -0.258 20.816 -4.884 1.00 0.00 O ATOM 107 CB ASP A 9 -0.313 24.030 -6.069 1.00 0.00 C ATOM 108 CG ASP A 9 0.531 23.501 -7.208 1.00 0.00 C ATOM 109 OD1 ASP A 9 1.563 22.856 -6.932 1.00 0.00 O ATOM 110 OD2 ASP A 9 0.160 23.734 -8.377 1.00 0.00 O ATOM 0 H ASP A 9 -2.376 24.584 -4.830 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.669 22.366 -6.246 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.932 24.850 -6.432 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.340 24.440 -5.298 1.00 0.00 H new ATOM 115 N LEU A 10 0.159 22.540 -3.499 1.00 0.00 N ATOM 116 CA LEU A 10 0.972 21.752 -2.572 1.00 0.00 C ATOM 117 C LEU A 10 0.119 20.741 -1.799 1.00 0.00 C ATOM 118 O LEU A 10 0.485 19.566 -1.691 1.00 0.00 O ATOM 119 CB LEU A 10 1.722 22.675 -1.599 1.00 0.00 C ATOM 120 CG LEU A 10 0.839 23.545 -0.698 1.00 0.00 C ATOM 121 CD1 LEU A 10 0.684 22.911 0.675 1.00 0.00 C ATOM 122 CD2 LEU A 10 1.425 24.942 -0.571 1.00 0.00 C ATOM 0 H LEU A 10 0.054 23.520 -3.236 1.00 0.00 H new ATOM 0 HA LEU A 10 1.700 21.193 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.363 22.062 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.376 23.328 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.147 23.621 -1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.054 23.544 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.223 21.929 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.664 22.805 1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.786 25.547 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.423 24.880 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.487 25.402 -1.557 1.00 0.00 H new ATOM 134 N THR A 11 -1.017 21.195 -1.266 1.00 0.00 N ATOM 135 CA THR A 11 -1.913 20.323 -0.501 1.00 0.00 C ATOM 136 C THR A 11 -2.421 19.166 -1.352 1.00 0.00 C ATOM 137 O THR A 11 -2.283 18.005 -0.967 1.00 0.00 O ATOM 138 CB THR A 11 -3.093 21.117 0.068 1.00 0.00 C ATOM 139 OG1 THR A 11 -2.643 22.292 0.718 1.00 0.00 O ATOM 140 CG2 THR A 11 -3.916 20.341 1.070 1.00 0.00 C ATOM 0 H THR A 11 -1.339 22.159 -1.349 1.00 0.00 H new ATOM 0 HA THR A 11 -1.338 19.910 0.327 1.00 0.00 H new ATOM 0 HB THR A 11 -3.718 21.349 -0.795 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.800 23.067 0.139 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.734 20.965 1.431 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.323 19.449 0.594 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.286 20.048 1.910 1.00 0.00 H new ATOM 148 N PHE A 12 -2.992 19.480 -2.515 1.00 0.00 N ATOM 149 CA PHE A 12 -3.497 18.457 -3.416 1.00 0.00 C ATOM 150 C PHE A 12 -2.370 17.517 -3.854 1.00 0.00 C ATOM 151 O PHE A 12 -2.596 16.326 -4.080 1.00 0.00 O ATOM 152 CB PHE A 12 -4.149 19.120 -4.626 1.00 0.00 C ATOM 153 CG PHE A 12 -5.635 18.918 -4.693 1.00 0.00 C ATOM 154 CD1 PHE A 12 -6.465 19.527 -3.767 1.00 0.00 C ATOM 155 CD2 PHE A 12 -6.200 18.123 -5.675 1.00 0.00 C ATOM 156 CE1 PHE A 12 -7.835 19.347 -3.820 1.00 0.00 C ATOM 157 CE2 PHE A 12 -7.568 17.938 -5.734 1.00 0.00 C ATOM 158 CZ PHE A 12 -8.387 18.551 -4.805 1.00 0.00 C ATOM 0 H PHE A 12 -3.114 20.435 -2.851 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.244 17.860 -2.893 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.937 20.189 -4.603 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.695 18.725 -5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.038 20.149 -2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.564 17.642 -6.403 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.472 19.828 -3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -7.997 17.315 -6.505 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.457 18.408 -4.849 1.00 0.00 H new ATOM 168 N HIS A 13 -1.154 18.059 -3.949 1.00 0.00 N ATOM 169 CA HIS A 13 0.012 17.268 -4.338 1.00 0.00 C ATOM 170 C HIS A 13 0.473 16.380 -3.188 1.00 0.00 C ATOM 171 O HIS A 13 0.768 15.200 -3.391 1.00 0.00 O ATOM 172 CB HIS A 13 1.157 18.186 -4.779 1.00 0.00 C ATOM 173 CG HIS A 13 2.200 17.501 -5.610 1.00 0.00 C ATOM 174 ND1 HIS A 13 2.546 16.175 -5.448 1.00 0.00 N ATOM 175 CD2 HIS A 13 2.977 17.969 -6.613 1.00 0.00 C ATOM 176 CE1 HIS A 13 3.492 15.859 -6.315 1.00 0.00 C ATOM 177 NE2 HIS A 13 3.772 16.932 -7.034 1.00 0.00 N ATOM 0 H HIS A 13 -0.953 19.041 -3.762 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.276 16.631 -5.175 1.00 0.00 H new ATOM 0 HB2 HIS A 13 0.743 19.019 -5.347 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.632 18.609 -3.894 1.00 0.00 H new ATOM 0 HD1 HIS A 13 2.135 15.538 -4.765 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.973 18.973 -7.010 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.957 14.890 -6.418 1.00 0.00 H new ATOM 186 N LEU A 14 0.543 16.950 -1.985 1.00 0.00 N ATOM 187 CA LEU A 14 0.975 16.195 -0.811 1.00 0.00 C ATOM 188 C LEU A 14 -0.104 15.209 -0.350 1.00 0.00 C ATOM 189 O LEU A 14 0.204 14.048 -0.066 1.00 0.00 O ATOM 190 CB LEU A 14 1.381 17.137 0.331 1.00 0.00 C ATOM 191 CG LEU A 14 0.253 17.963 0.943 1.00 0.00 C ATOM 192 CD1 LEU A 14 -0.411 17.211 2.086 1.00 0.00 C ATOM 193 CD2 LEU A 14 0.781 19.302 1.426 1.00 0.00 C ATOM 0 H LEU A 14 0.308 17.925 -1.799 1.00 0.00 H new ATOM 0 HA LEU A 14 1.851 15.614 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.841 16.543 1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.145 17.819 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.497 18.140 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.211 17.820 2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.825 16.274 1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.327 16.999 2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.035 19.880 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.551 19.139 2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.207 19.850 0.585 1.00 0.00 H new ATOM 205 N LEU A 15 -1.364 15.662 -0.287 1.00 0.00 N ATOM 206 CA LEU A 15 -2.470 14.794 0.136 1.00 0.00 C ATOM 207 C LEU A 15 -2.663 13.624 -0.830 1.00 0.00 C ATOM 208 O LEU A 15 -3.018 12.520 -0.411 1.00 0.00 O ATOM 209 CB LEU A 15 -3.771 15.598 0.297 1.00 0.00 C ATOM 210 CG LEU A 15 -4.506 15.955 -1.001 1.00 0.00 C ATOM 211 CD1 LEU A 15 -5.396 14.808 -1.449 1.00 0.00 C ATOM 212 CD2 LEU A 15 -5.333 17.215 -0.808 1.00 0.00 C ATOM 0 H LEU A 15 -1.640 16.615 -0.521 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.209 14.377 1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.451 15.029 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.540 16.522 0.827 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.762 16.136 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -5.908 15.083 -2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.787 13.921 -1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.133 14.596 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.849 17.457 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.065 17.052 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.678 18.041 -0.531 1.00 0.00 H new ATOM 224 N ARG A 16 -2.402 13.860 -2.119 1.00 0.00 N ATOM 225 CA ARG A 16 -2.518 12.811 -3.135 1.00 0.00 C ATOM 226 C ARG A 16 -1.849 11.528 -2.633 1.00 0.00 C ATOM 227 O ARG A 16 -2.394 10.430 -2.747 1.00 0.00 O ATOM 228 CB ARG A 16 -1.859 13.276 -4.450 1.00 0.00 C ATOM 229 CG ARG A 16 -0.933 12.238 -5.076 1.00 0.00 C ATOM 230 CD ARG A 16 -0.217 12.765 -6.314 1.00 0.00 C ATOM 231 NE ARG A 16 -1.132 13.365 -7.294 1.00 0.00 N ATOM 232 CZ ARG A 16 -1.713 12.704 -8.294 1.00 0.00 C ATOM 233 NH1 ARG A 16 -1.605 11.390 -8.395 1.00 0.00 N ATOM 234 NH2 ARG A 16 -2.434 13.366 -9.183 1.00 0.00 N ATOM 0 H ARG A 16 -2.109 14.767 -2.483 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.573 12.610 -3.324 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.640 13.531 -5.166 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.292 14.187 -4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.194 11.924 -4.339 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.512 11.354 -5.344 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.521 13.508 -6.012 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.328 11.948 -6.787 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.337 14.360 -7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.071 10.867 -7.701 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.056 10.899 -9.167 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.543 14.377 -9.101 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.881 12.866 -9.951 1.00 0.00 H new ATOM 248 N THR A 17 -0.658 11.701 -2.074 1.00 0.00 N ATOM 249 CA THR A 17 0.145 10.611 -1.531 1.00 0.00 C ATOM 250 C THR A 17 -0.650 9.710 -0.578 1.00 0.00 C ATOM 251 O THR A 17 -0.620 8.486 -0.712 1.00 0.00 O ATOM 252 CB THR A 17 1.346 11.208 -0.793 1.00 0.00 C ATOM 253 OG1 THR A 17 1.724 12.450 -1.362 1.00 0.00 O ATOM 254 CG2 THR A 17 2.565 10.315 -0.793 1.00 0.00 C ATOM 0 H THR A 17 -0.216 12.616 -1.983 1.00 0.00 H new ATOM 0 HA THR A 17 0.469 9.986 -2.363 1.00 0.00 H new ATOM 0 HB THR A 17 1.009 11.330 0.237 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.422 13.181 -0.783 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.375 10.805 -0.252 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.323 9.370 -0.307 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.877 10.126 -1.820 1.00 0.00 H new ATOM 262 N LEU A 18 -1.349 10.316 0.389 1.00 0.00 N ATOM 263 CA LEU A 18 -2.133 9.553 1.369 1.00 0.00 C ATOM 264 C LEU A 18 -3.200 8.682 0.697 1.00 0.00 C ATOM 265 O LEU A 18 -3.454 7.555 1.130 1.00 0.00 O ATOM 266 CB LEU A 18 -2.770 10.496 2.405 1.00 0.00 C ATOM 267 CG LEU A 18 -4.091 11.153 1.995 1.00 0.00 C ATOM 268 CD1 LEU A 18 -5.271 10.348 2.511 1.00 0.00 C ATOM 269 CD2 LEU A 18 -4.157 12.578 2.516 1.00 0.00 C ATOM 0 H LEU A 18 -1.388 11.328 0.514 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.446 8.881 1.884 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.937 9.934 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.053 11.283 2.639 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.139 11.177 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.201 10.831 2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.234 9.341 2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.227 10.294 3.599 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.102 13.032 2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.086 12.571 3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.330 13.155 2.102 1.00 0.00 H new ATOM 281 N LEU A 19 -3.814 9.196 -0.368 1.00 0.00 N ATOM 282 CA LEU A 19 -4.841 8.439 -1.090 1.00 0.00 C ATOM 283 C LEU A 19 -4.219 7.518 -2.139 1.00 0.00 C ATOM 284 O LEU A 19 -4.694 6.397 -2.350 1.00 0.00 O ATOM 285 CB LEU A 19 -5.886 9.372 -1.727 1.00 0.00 C ATOM 286 CG LEU A 19 -5.338 10.578 -2.496 1.00 0.00 C ATOM 287 CD1 LEU A 19 -5.298 10.292 -3.987 1.00 0.00 C ATOM 288 CD2 LEU A 19 -6.179 11.812 -2.216 1.00 0.00 C ATOM 0 H LEU A 19 -3.623 10.123 -0.748 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.356 7.814 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.501 8.783 -2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.543 9.739 -0.939 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.320 10.766 -2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.906 11.162 -4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.654 9.433 -4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.305 10.076 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.776 12.660 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.207 11.630 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.157 12.033 -1.149 1.00 0.00 H new ATOM 315 N LEU A 21 -1.328 6.048 -2.017 1.00 0.00 N ATOM 316 CA LEU A 21 -0.788 4.917 -1.268 1.00 0.00 C ATOM 317 C LEU A 21 -1.930 4.010 -0.809 1.00 0.00 C ATOM 318 O LEU A 21 -1.839 2.783 -0.905 1.00 0.00 O ATOM 319 CB LEU A 21 0.058 5.397 -0.076 1.00 0.00 C ATOM 320 CG LEU A 21 -0.715 5.786 1.190 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.911 4.580 2.094 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.016 6.889 1.936 1.00 0.00 C ATOM 0 HA LEU A 21 -0.130 4.344 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.764 4.608 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.645 6.258 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.697 6.154 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.462 4.879 2.986 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.473 3.813 1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.061 4.181 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.544 7.155 2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.009 6.540 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.108 7.764 1.293 1.00 0.00 H new ATOM 334 N ALA A 22 -3.022 4.628 -0.346 1.00 0.00 N ATOM 335 CA ALA A 22 -4.199 3.883 0.089 1.00 0.00 C ATOM 336 C ALA A 22 -4.725 3.029 -1.059 1.00 0.00 C ATOM 337 O ALA A 22 -5.018 1.842 -0.887 1.00 0.00 O ATOM 338 CB ALA A 22 -5.274 4.837 0.597 1.00 0.00 C ATOM 0 H ALA A 22 -3.111 5.641 -0.265 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.920 3.224 0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.145 4.266 0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.885 5.409 1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.562 5.520 -0.202 1.00 0.00 H new ATOM 344 N ARG A 23 -4.812 3.639 -2.237 1.00 0.00 N ATOM 345 CA ARG A 23 -5.270 2.938 -3.431 1.00 0.00 C ATOM 346 C ARG A 23 -4.355 1.751 -3.723 1.00 0.00 C ATOM 347 O ARG A 23 -4.825 0.624 -3.898 1.00 0.00 O ATOM 348 CB ARG A 23 -5.312 3.890 -4.633 1.00 0.00 C ATOM 349 CG ARG A 23 -6.512 4.826 -4.628 1.00 0.00 C ATOM 350 CD ARG A 23 -7.777 4.116 -5.083 1.00 0.00 C ATOM 351 NE ARG A 23 -8.893 5.049 -5.259 1.00 0.00 N ATOM 352 CZ ARG A 23 -10.104 4.702 -5.687 1.00 0.00 C ATOM 353 NH1 ARG A 23 -10.376 3.446 -5.983 1.00 0.00 N ATOM 354 NH2 ARG A 23 -11.043 5.619 -5.815 1.00 0.00 N ATOM 0 H ARG A 23 -4.571 4.618 -2.390 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.280 2.569 -3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.398 4.484 -4.647 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.324 3.302 -5.551 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.659 5.225 -3.624 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.315 5.675 -5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.585 3.598 -6.023 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.051 3.356 -4.351 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.730 6.031 -5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -9.655 2.731 -5.885 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.307 3.189 -6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.840 6.592 -5.586 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.972 5.355 -6.143 1.00 0.00 H new ATOM 368 N THR A 24 -3.042 2.004 -3.750 1.00 0.00 N ATOM 369 CA THR A 24 -2.065 0.940 -3.994 1.00 0.00 C ATOM 370 C THR A 24 -2.244 -0.177 -2.967 1.00 0.00 C ATOM 371 O THR A 24 -2.319 -1.356 -3.328 1.00 0.00 O ATOM 372 CB THR A 24 -0.632 1.493 -3.972 1.00 0.00 C ATOM 373 OG1 THR A 24 0.056 1.110 -5.146 1.00 0.00 O ATOM 374 CG2 THR A 24 0.204 1.034 -2.795 1.00 0.00 C ATOM 0 H THR A 24 -2.635 2.928 -3.607 1.00 0.00 H new ATOM 0 HA THR A 24 -2.238 0.526 -4.987 1.00 0.00 H new ATOM 0 HB THR A 24 -0.754 2.573 -3.894 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.968 1.469 -5.123 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.199 1.473 -2.862 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.271 1.351 -1.866 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.286 -0.053 -2.809 1.00 0.00 H new ATOM 382 N GLN A 25 -2.355 0.202 -1.687 1.00 0.00 N ATOM 383 CA GLN A 25 -2.571 -0.768 -0.619 1.00 0.00 C ATOM 384 C GLN A 25 -3.808 -1.601 -0.934 1.00 0.00 C ATOM 385 O GLN A 25 -3.757 -2.830 -0.956 1.00 0.00 O ATOM 386 CB GLN A 25 -2.745 -0.051 0.724 1.00 0.00 C ATOM 387 CG GLN A 25 -1.925 -0.659 1.854 1.00 0.00 C ATOM 388 CD GLN A 25 -0.537 -0.056 1.956 1.00 0.00 C ATOM 389 OE1 GLN A 25 -0.354 1.145 1.772 1.00 0.00 O ATOM 390 NE2 GLN A 25 0.453 -0.883 2.251 1.00 0.00 N ATOM 0 H GLN A 25 -2.298 1.171 -1.372 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.703 -1.423 -0.549 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.464 0.996 0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.799 -0.069 1.001 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.450 -0.514 2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.840 -1.734 1.698 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.263 -1.874 2.397 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.406 -0.529 2.332 1.00 0.00 H new ATOM 399 N SER A 26 -4.910 -0.908 -1.210 1.00 0.00 N ATOM 400 CA SER A 26 -6.174 -1.557 -1.559 1.00 0.00 C ATOM 401 C SER A 26 -6.004 -2.464 -2.777 1.00 0.00 C ATOM 402 O SER A 26 -6.430 -3.621 -2.766 1.00 0.00 O ATOM 403 CB SER A 26 -7.246 -0.505 -1.845 1.00 0.00 C ATOM 404 OG SER A 26 -8.542 -1.080 -1.841 1.00 0.00 O ATOM 0 H SER A 26 -4.954 0.111 -1.199 1.00 0.00 H new ATOM 0 HA SER A 26 -6.485 -2.168 -0.712 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.193 0.285 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.054 -0.040 -2.812 1.00 0.00 H new ATOM 0 HG SER A 26 -9.209 -0.385 -2.025 1.00 0.00 H new ATOM 410 N GLN A 27 -5.373 -1.926 -3.827 1.00 0.00 N ATOM 411 CA GLN A 27 -5.136 -2.675 -5.064 1.00 0.00 C ATOM 412 C GLN A 27 -4.469 -4.024 -4.795 1.00 0.00 C ATOM 413 O GLN A 27 -4.835 -5.036 -5.395 1.00 0.00 O ATOM 414 CB GLN A 27 -4.278 -1.853 -6.032 1.00 0.00 C ATOM 415 CG GLN A 27 -4.423 -2.286 -7.487 1.00 0.00 C ATOM 416 CD GLN A 27 -5.835 -2.117 -8.019 1.00 0.00 C ATOM 417 OE1 GLN A 27 -6.646 -3.046 -7.981 1.00 0.00 O ATOM 418 NE2 GLN A 27 -6.142 -0.930 -8.519 1.00 0.00 N ATOM 0 H GLN A 27 -5.016 -0.971 -3.843 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.109 -2.867 -5.517 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.551 -0.801 -5.945 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.232 -1.936 -5.739 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.737 -1.705 -8.103 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.128 -3.331 -7.580 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.444 -0.186 -8.533 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.077 -0.759 -8.890 1.00 0.00 H new ATOM 427 N ARG A 28 -3.494 -4.038 -3.893 1.00 0.00 N ATOM 428 CA ARG A 28 -2.794 -5.278 -3.557 1.00 0.00 C ATOM 429 C ARG A 28 -3.558 -6.084 -2.501 1.00 0.00 C ATOM 430 O ARG A 28 -3.591 -7.316 -2.556 1.00 0.00 O ATOM 431 CB ARG A 28 -1.360 -4.992 -3.098 1.00 0.00 C ATOM 432 CG ARG A 28 -1.270 -4.226 -1.792 1.00 0.00 C ATOM 433 CD ARG A 28 0.175 -3.947 -1.405 1.00 0.00 C ATOM 434 NE ARG A 28 0.916 -5.184 -1.125 1.00 0.00 N ATOM 435 CZ ARG A 28 2.239 -5.265 -1.035 1.00 0.00 C ATOM 436 NH1 ARG A 28 2.990 -4.191 -1.192 1.00 0.00 N ATOM 437 NH2 ARG A 28 2.808 -6.428 -0.784 1.00 0.00 N ATOM 0 H ARG A 28 -3.171 -3.215 -3.384 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.745 -5.884 -4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.829 -5.938 -2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.847 -4.426 -3.875 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.811 -3.284 -1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.756 -4.797 -1.000 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.668 -3.403 -2.211 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.197 -3.303 -0.526 1.00 0.00 H new ATOM 0 HE ARG A 28 0.378 -6.040 -0.990 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.555 -3.288 -1.384 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.005 -4.264 -1.121 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.233 -7.261 -0.660 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.823 -6.494 -0.714 1.00 0.00 H new ATOM 451 N GLU A 29 -4.175 -5.387 -1.548 1.00 0.00 N ATOM 452 CA GLU A 29 -4.936 -6.022 -0.491 1.00 0.00 C ATOM 453 C GLU A 29 -6.146 -6.782 -1.038 1.00 0.00 C ATOM 454 O GLU A 29 -6.395 -7.921 -0.645 1.00 0.00 O ATOM 455 CB GLU A 29 -5.379 -4.955 0.504 1.00 0.00 C ATOM 456 CG GLU A 29 -4.703 -5.073 1.857 1.00 0.00 C ATOM 457 CD GLU A 29 -5.338 -4.189 2.911 1.00 0.00 C ATOM 458 OE1 GLU A 29 -6.309 -4.636 3.556 1.00 0.00 O ATOM 459 OE2 GLU A 29 -4.861 -3.049 3.089 1.00 0.00 O ATOM 0 H GLU A 29 -4.157 -4.369 -1.493 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.300 -6.755 0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.169 -3.970 0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.459 -5.021 0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.742 -6.111 2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.650 -4.810 1.756 1.00 0.00 H new ATOM 466 N ARG A 30 -6.888 -6.151 -1.949 1.00 0.00 N ATOM 467 CA ARG A 30 -8.072 -6.772 -2.554 1.00 0.00 C ATOM 468 C ARG A 30 -7.757 -8.168 -3.099 1.00 0.00 C ATOM 469 O ARG A 30 -8.578 -9.085 -3.002 1.00 0.00 O ATOM 470 CB ARG A 30 -8.624 -5.886 -3.674 1.00 0.00 C ATOM 471 CG ARG A 30 -7.625 -5.638 -4.788 1.00 0.00 C ATOM 472 CD ARG A 30 -8.241 -4.872 -5.945 1.00 0.00 C ATOM 473 NE ARG A 30 -8.997 -5.756 -6.836 1.00 0.00 N ATOM 474 CZ ARG A 30 -8.981 -5.689 -8.165 1.00 0.00 C ATOM 475 NH1 ARG A 30 -8.256 -4.777 -8.794 1.00 0.00 N ATOM 476 NH2 ARG A 30 -9.699 -6.542 -8.871 1.00 0.00 N ATOM 0 H ARG A 30 -6.691 -5.209 -2.286 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.826 -6.876 -1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.516 -6.353 -4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.933 -4.929 -3.253 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.775 -5.080 -4.395 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.240 -6.592 -5.149 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.900 -4.095 -5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.455 -4.371 -6.510 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.578 -6.476 -6.406 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -7.698 -4.111 -8.259 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.255 -4.740 -9.813 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.263 -7.248 -8.398 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.690 -6.495 -9.890 1.00 0.00 H new ATOM 490 N ALA A 31 -6.558 -8.323 -3.661 1.00 0.00 N ATOM 491 CA ALA A 31 -6.123 -9.602 -4.213 1.00 0.00 C ATOM 492 C ALA A 31 -5.710 -10.563 -3.101 1.00 0.00 C ATOM 493 O ALA A 31 -6.021 -11.755 -3.150 1.00 0.00 O ATOM 494 CB ALA A 31 -4.978 -9.389 -5.195 1.00 0.00 C ATOM 0 H ALA A 31 -5.870 -7.575 -3.745 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.961 -10.050 -4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.662 -10.351 -5.600 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.311 -8.745 -6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.140 -8.919 -4.680 1.00 0.00 H new ATOM 500 N GLU A 32 -5.020 -10.033 -2.095 1.00 0.00 N ATOM 501 CA GLU A 32 -4.574 -10.839 -0.958 1.00 0.00 C ATOM 502 C GLU A 32 -5.750 -11.197 -0.060 1.00 0.00 C ATOM 503 O GLU A 32 -5.969 -12.365 0.248 1.00 0.00 O ATOM 504 CB GLU A 32 -3.504 -10.095 -0.154 1.00 0.00 C ATOM 505 CG GLU A 32 -2.134 -10.764 -0.199 1.00 0.00 C ATOM 506 CD GLU A 32 -1.941 -11.793 0.898 1.00 0.00 C ATOM 507 OE1 GLU A 32 -1.463 -11.413 1.986 1.00 0.00 O ATOM 508 OE2 GLU A 32 -2.260 -12.978 0.665 1.00 0.00 O ATOM 0 H GLU A 32 -4.757 -9.049 -2.042 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.139 -11.760 -1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.416 -9.078 -0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.828 -10.019 0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.002 -11.245 -1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -1.360 -10.001 -0.114 1.00 0.00 H new ATOM 515 N GLN A 33 -6.526 -10.194 0.341 1.00 0.00 N ATOM 516 CA GLN A 33 -7.694 -10.435 1.186 1.00 0.00 C ATOM 517 C GLN A 33 -8.567 -11.530 0.577 1.00 0.00 C ATOM 518 O GLN A 33 -9.083 -12.393 1.289 1.00 0.00 O ATOM 519 CB GLN A 33 -8.505 -9.147 1.376 1.00 0.00 C ATOM 520 CG GLN A 33 -8.986 -8.930 2.806 1.00 0.00 C ATOM 521 CD GLN A 33 -8.792 -7.503 3.280 1.00 0.00 C ATOM 522 OE1 GLN A 33 -9.755 -6.791 3.554 1.00 0.00 O ATOM 523 NE2 GLN A 33 -7.541 -7.078 3.380 1.00 0.00 N ATOM 0 H GLN A 33 -6.371 -9.216 0.098 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.348 -10.765 2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.894 -8.296 1.075 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.369 -9.171 0.711 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.042 -9.190 2.873 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.449 -9.606 3.472 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.770 -7.702 3.142 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.349 -6.127 3.695 1.00 0.00 H new ATOM 532 N ASN A 34 -8.696 -11.505 -0.752 1.00 0.00 N ATOM 533 CA ASN A 34 -9.472 -12.509 -1.467 1.00 0.00 C ATOM 534 C ASN A 34 -8.932 -13.906 -1.164 1.00 0.00 C ATOM 535 O ASN A 34 -9.694 -14.812 -0.831 1.00 0.00 O ATOM 536 CB ASN A 34 -9.434 -12.233 -2.974 1.00 0.00 C ATOM 537 CG ASN A 34 -10.818 -12.109 -3.578 1.00 0.00 C ATOM 538 OD1 ASN A 34 -11.435 -13.101 -3.956 1.00 0.00 O ATOM 539 ND2 ASN A 34 -11.314 -10.883 -3.673 1.00 0.00 N ATOM 0 H ASN A 34 -8.271 -10.797 -1.351 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.508 -12.458 -1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.878 -11.314 -3.157 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.894 -13.037 -3.474 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.241 -10.738 -4.072 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.768 -10.085 -3.347 1.00 0.00 H new ATOM 546 N ARG A 35 -7.607 -14.071 -1.255 1.00 0.00 N ATOM 547 CA ARG A 35 -6.979 -15.358 -0.964 1.00 0.00 C ATOM 548 C ARG A 35 -6.874 -15.587 0.545 1.00 0.00 C ATOM 549 O ARG A 35 -7.003 -16.717 1.017 1.00 0.00 O ATOM 550 CB ARG A 35 -5.606 -15.463 -1.641 1.00 0.00 C ATOM 551 CG ARG A 35 -4.524 -14.626 -0.981 1.00 0.00 C ATOM 552 CD ARG A 35 -3.266 -14.561 -1.830 1.00 0.00 C ATOM 553 NE ARG A 35 -2.719 -15.894 -2.101 1.00 0.00 N ATOM 554 CZ ARG A 35 -1.961 -16.197 -3.147 1.00 0.00 C ATOM 555 NH1 ARG A 35 -1.618 -15.267 -4.019 1.00 0.00 N ATOM 556 NH2 ARG A 35 -1.541 -17.435 -3.312 1.00 0.00 N ATOM 0 H ARG A 35 -6.956 -13.334 -1.526 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.612 -16.144 -1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -5.293 -16.507 -1.643 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.702 -15.157 -2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.899 -13.617 -0.809 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.283 -15.047 -0.005 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -3.490 -14.062 -2.773 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.515 -13.957 -1.320 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.936 -16.640 -1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.936 -14.306 -3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.035 -15.509 -4.820 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.799 -18.155 -2.637 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.958 -17.673 -4.114 1.00 0.00 H new ATOM 570 N ILE A 36 -6.670 -14.505 1.297 1.00 0.00 N ATOM 571 CA ILE A 36 -6.580 -14.585 2.756 1.00 0.00 C ATOM 572 C ILE A 36 -7.902 -15.076 3.335 1.00 0.00 C ATOM 573 O ILE A 36 -7.933 -15.971 4.182 1.00 0.00 O ATOM 574 CB ILE A 36 -6.215 -13.218 3.384 1.00 0.00 C ATOM 575 CG1 ILE A 36 -4.810 -12.781 2.953 1.00 0.00 C ATOM 576 CG2 ILE A 36 -6.310 -13.282 4.905 1.00 0.00 C ATOM 577 CD1 ILE A 36 -3.692 -13.494 3.684 1.00 0.00 C ATOM 0 H ILE A 36 -6.564 -13.563 0.920 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.786 -15.291 2.998 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.930 -12.478 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.699 -12.955 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.709 -11.708 3.114 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.050 -12.311 5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.328 -13.543 5.195 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.621 -14.038 5.281 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.730 -13.129 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.775 -13.300 4.753 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.765 -14.566 3.503 1.00 0.00 H new ATOM 589 N ILE A 37 -8.995 -14.495 2.848 1.00 0.00 N ATOM 590 CA ILE A 37 -10.334 -14.879 3.285 1.00 0.00 C ATOM 591 C ILE A 37 -10.694 -16.260 2.734 1.00 0.00 C ATOM 592 O ILE A 37 -11.291 -17.077 3.435 1.00 0.00 O ATOM 593 CB ILE A 37 -11.397 -13.846 2.842 1.00 0.00 C ATOM 594 CG1 ILE A 37 -11.167 -12.510 3.552 1.00 0.00 C ATOM 595 CG2 ILE A 37 -12.803 -14.358 3.126 1.00 0.00 C ATOM 596 CD1 ILE A 37 -11.821 -11.336 2.856 1.00 0.00 C ATOM 0 H ILE A 37 -8.979 -13.754 2.148 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.328 -14.911 4.375 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.299 -13.696 1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.550 -12.578 4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -10.095 -12.327 3.626 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.533 -13.614 2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.969 -15.287 2.581 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.915 -14.540 4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.617 -10.422 3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.420 -11.242 1.847 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.898 -11.497 2.805 1.00 0.00 H new ATOM 608 N PHE A 38 -10.308 -16.522 1.481 1.00 0.00 N ATOM 609 CA PHE A 38 -10.573 -17.814 0.843 1.00 0.00 C ATOM 610 C PHE A 38 -10.091 -18.970 1.720 1.00 0.00 C ATOM 611 O PHE A 38 -10.797 -19.963 1.897 1.00 0.00 O ATOM 612 CB PHE A 38 -9.892 -17.878 -0.528 1.00 0.00 C ATOM 613 CG PHE A 38 -10.844 -18.110 -1.666 1.00 0.00 C ATOM 614 CD1 PHE A 38 -11.302 -19.385 -1.954 1.00 0.00 C ATOM 615 CD2 PHE A 38 -11.279 -17.053 -2.450 1.00 0.00 C ATOM 616 CE1 PHE A 38 -12.176 -19.603 -3.002 1.00 0.00 C ATOM 617 CE2 PHE A 38 -12.153 -17.264 -3.499 1.00 0.00 C ATOM 618 CZ PHE A 38 -12.603 -18.540 -3.775 1.00 0.00 C ATOM 0 H PHE A 38 -9.811 -15.856 0.889 1.00 0.00 H new ATOM 0 HA PHE A 38 -11.651 -17.910 0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.354 -16.946 -0.700 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.150 -18.677 -0.518 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.972 -20.219 -1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -10.931 -16.053 -2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -12.525 -20.602 -3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -12.484 -16.432 -4.103 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.287 -18.707 -4.594 1.00 0.00 H new