USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 544 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 13 THR OG1 : rot 25:sc= 0.974 USER MOD Set 1.2: A 14 CYS SG : rot 180:sc= -1.29 USER MOD Set 1.3: A 17 CYS SG : rot -93:sc= 0.861 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -155:sc= -1.89 (180deg=-4.02) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0549) USER MOD Single : A 33 ASN : amide:sc= 1 K(o=1,f=-0.34) USER MOD Single : A 37 ASN : amide:sc= -1.49 K(o=-1.5,f=0.034) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 83:sc= 1.26 USER MOD Single : A 48 ASN : amide:sc= -0.405 K(o=-0.41,f=-4.8!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 107:sc= 1.35 USER MOD Single : A 55 SER OG : rot 180:sc= 0.029 USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 2.26 (180deg=2.22) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 98:sc= 0.662 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= 1.18 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 34 N GLU A 3 2.875 12.734 5.044 1.00 10.00 N ATOM 35 CA GLU A 3 2.517 13.095 3.695 1.00 10.00 C ATOM 36 C GLU A 3 1.400 12.151 3.269 1.00 10.00 C ATOM 37 O GLU A 3 1.000 11.257 4.014 1.00 10.00 O ATOM 38 CB GLU A 3 3.762 13.015 2.799 1.00 10.00 C ATOM 39 CG GLU A 3 4.288 11.582 2.602 1.00 10.00 C ATOM 40 CD GLU A 3 5.640 11.552 1.896 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.278 12.622 1.827 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.022 10.445 1.456 1.00 10.00 O ATOM 0 HA GLU A 3 2.155 14.120 3.614 1.00 10.00 H new ATOM 0 HB2 GLU A 3 3.527 13.444 1.825 1.00 10.00 H new ATOM 0 HB3 GLU A 3 4.552 13.627 3.234 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.377 11.094 3.572 1.00 10.00 H new ATOM 0 HG3 GLU A 3 3.565 11.009 2.022 1.00 10.00 H new ATOM 49 N LYS A 4 0.927 12.368 2.049 1.00 10.00 N ATOM 50 CA LYS A 4 0.006 11.507 1.345 1.00 10.00 C ATOM 51 C LYS A 4 0.739 11.078 0.086 1.00 10.00 C ATOM 52 O LYS A 4 1.258 11.930 -0.639 1.00 10.00 O ATOM 53 CB LYS A 4 -1.265 12.263 0.962 1.00 10.00 C ATOM 54 CG LYS A 4 -2.019 12.850 2.165 1.00 10.00 C ATOM 55 CD LYS A 4 -3.482 13.161 1.809 1.00 10.00 C ATOM 56 CE LYS A 4 -3.561 14.181 0.664 1.00 10.00 C ATOM 57 NZ LYS A 4 -4.929 14.395 0.149 1.00 10.00 N ATOM 0 H LYS A 4 1.192 13.189 1.504 1.00 10.00 H new ATOM 0 HA LYS A 4 -0.295 10.662 1.964 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -1.005 13.071 0.278 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.929 11.589 0.421 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -1.986 12.146 2.996 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -1.522 13.761 2.499 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -3.993 12.243 1.520 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -3.999 13.551 2.686 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -3.160 15.134 1.010 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -2.923 13.845 -0.154 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -4.905 15.094 -0.620 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -5.309 13.496 -0.212 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -5.538 14.745 0.916 1.00 10.00 H new ATOM 71 N ALA A 5 0.790 9.774 -0.154 1.00 10.00 N ATOM 72 CA ALA A 5 1.436 9.176 -1.298 1.00 10.00 C ATOM 73 C ALA A 5 0.436 8.260 -1.974 1.00 10.00 C ATOM 74 O ALA A 5 -0.484 7.779 -1.315 1.00 10.00 O ATOM 75 CB ALA A 5 2.680 8.426 -0.835 1.00 10.00 C ATOM 0 H ALA A 5 0.366 9.086 0.469 1.00 10.00 H new ATOM 0 HA ALA A 5 1.758 9.930 -2.016 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.172 7.972 -1.695 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.365 9.122 -0.350 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.393 7.647 -0.128 1.00 10.00 H new ATOM 81 N GLU A 6 0.582 8.047 -3.281 1.00 10.00 N ATOM 82 CA GLU A 6 -0.413 7.352 -4.058 1.00 10.00 C ATOM 83 C GLU A 6 0.368 6.334 -4.866 1.00 10.00 C ATOM 84 O GLU A 6 1.402 6.698 -5.434 1.00 10.00 O ATOM 85 CB GLU A 6 -1.168 8.362 -4.931 1.00 10.00 C ATOM 86 CG GLU A 6 -2.639 7.961 -5.074 1.00 10.00 C ATOM 87 CD GLU A 6 -3.306 8.521 -6.327 1.00 10.00 C ATOM 88 OE1 GLU A 6 -2.617 8.564 -7.368 1.00 10.00 O ATOM 89 OE2 GLU A 6 -4.508 8.847 -6.226 1.00 10.00 O ATOM 0 H GLU A 6 1.393 8.354 -3.818 1.00 10.00 H new ATOM 0 HA GLU A 6 -1.173 6.852 -3.458 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.098 9.356 -4.489 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.704 8.418 -5.916 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.711 6.873 -5.090 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -3.187 8.304 -4.197 1.00 10.00 H new ATOM 96 N PHE A 7 -0.081 5.080 -4.860 1.00 10.00 N ATOM 97 CA PHE A 7 0.571 3.949 -5.482 1.00 10.00 C ATOM 98 C PHE A 7 -0.423 3.174 -6.332 1.00 10.00 C ATOM 99 O PHE A 7 -1.610 3.133 -6.020 1.00 10.00 O ATOM 100 CB PHE A 7 1.150 3.018 -4.420 1.00 10.00 C ATOM 101 CG PHE A 7 1.927 3.682 -3.305 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.833 4.712 -3.600 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.835 3.201 -1.991 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.520 5.369 -2.573 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.635 3.767 -0.987 1.00 10.00 C ATOM 106 CZ PHE A 7 3.425 4.896 -1.255 1.00 10.00 C ATOM 0 H PHE A 7 -0.952 4.822 -4.396 1.00 10.00 H new ATOM 0 HA PHE A 7 1.377 4.324 -6.112 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.331 2.451 -3.977 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.804 2.300 -4.914 1.00 10.00 H new ATOM 0 HD1 PHE A 7 3.001 5.000 -4.627 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.152 2.399 -1.753 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.122 6.238 -2.794 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.643 3.330 0.001 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.954 5.395 -0.456 1.00 10.00 H new ATOM 116 N ASP A 8 0.114 2.550 -7.375 1.00 10.00 N ATOM 117 CA ASP A 8 -0.519 1.812 -8.447 1.00 10.00 C ATOM 118 C ASP A 8 -0.393 0.369 -7.995 1.00 10.00 C ATOM 119 O ASP A 8 0.724 -0.027 -7.648 1.00 10.00 O ATOM 120 CB ASP A 8 0.354 2.046 -9.696 1.00 10.00 C ATOM 121 CG ASP A 8 -0.381 2.115 -11.022 1.00 10.00 C ATOM 122 OD1 ASP A 8 -1.293 1.294 -11.221 1.00 10.00 O ATOM 123 OD2 ASP A 8 0.006 2.998 -11.827 1.00 10.00 O ATOM 0 H ASP A 8 1.127 2.554 -7.497 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.551 2.087 -8.664 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.904 2.977 -9.560 1.00 10.00 H new ATOM 0 HB3 ASP A 8 1.091 1.245 -9.754 1.00 10.00 H new ATOM 128 N ILE A 9 -1.491 -0.381 -7.925 1.00 10.00 N ATOM 129 CA ILE A 9 -1.436 -1.808 -7.607 1.00 10.00 C ATOM 130 C ILE A 9 -1.832 -2.604 -8.843 1.00 10.00 C ATOM 131 O ILE A 9 -2.718 -2.182 -9.577 1.00 10.00 O ATOM 132 CB ILE A 9 -2.329 -2.190 -6.414 1.00 10.00 C ATOM 133 CG1 ILE A 9 -2.195 -1.261 -5.202 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.922 -3.564 -5.888 1.00 10.00 C ATOM 135 CD1 ILE A 9 -3.180 -0.114 -5.302 1.00 10.00 C ATOM 0 H ILE A 9 -2.433 -0.024 -8.085 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.414 -2.046 -7.312 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.345 -2.140 -6.805 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -2.373 -1.822 -4.285 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -1.179 -0.872 -5.145 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.556 -3.832 -5.043 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -2.038 -4.305 -6.679 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.881 -3.537 -5.566 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -3.071 0.536 -4.434 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -2.983 0.457 -6.209 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -4.196 -0.508 -5.335 1.00 10.00 H new ATOM 147 N GLU A 10 -1.190 -3.757 -9.053 1.00 10.00 N ATOM 148 CA GLU A 10 -1.511 -4.663 -10.145 1.00 10.00 C ATOM 149 C GLU A 10 -2.018 -5.990 -9.572 1.00 10.00 C ATOM 150 O GLU A 10 -1.254 -6.712 -8.929 1.00 10.00 O ATOM 151 CB GLU A 10 -0.249 -4.924 -10.974 1.00 10.00 C ATOM 152 CG GLU A 10 0.433 -3.653 -11.504 1.00 10.00 C ATOM 153 CD GLU A 10 1.827 -3.953 -12.046 1.00 10.00 C ATOM 154 OE1 GLU A 10 1.908 -4.356 -13.226 1.00 10.00 O ATOM 155 OE2 GLU A 10 2.794 -3.792 -11.266 1.00 10.00 O ATOM 0 H GLU A 10 -0.427 -4.085 -8.461 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.281 -4.216 -10.775 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.465 -5.478 -10.364 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -0.509 -5.562 -11.819 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -0.178 -3.212 -12.292 1.00 10.00 H new ATOM 0 HG3 GLU A 10 0.503 -2.916 -10.704 1.00 10.00 H new ATOM 162 N GLY A 11 -3.275 -6.334 -9.847 1.00 10.00 N ATOM 163 CA GLY A 11 -3.796 -7.693 -9.723 1.00 10.00 C ATOM 164 C GLY A 11 -5.179 -7.749 -9.078 1.00 10.00 C ATOM 165 O GLY A 11 -6.150 -8.096 -9.743 1.00 10.00 O ATOM 0 H GLY A 11 -3.973 -5.663 -10.168 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.844 -8.149 -10.712 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -3.101 -8.289 -9.131 1.00 10.00 H new ATOM 169 N MET A 12 -5.248 -7.454 -7.773 1.00 10.00 N ATOM 170 CA MET A 12 -6.475 -7.337 -6.992 1.00 10.00 C ATOM 171 C MET A 12 -7.533 -8.399 -7.321 1.00 10.00 C ATOM 172 O MET A 12 -8.633 -8.090 -7.773 1.00 10.00 O ATOM 173 CB MET A 12 -7.027 -5.922 -7.149 1.00 10.00 C ATOM 174 CG MET A 12 -5.906 -4.881 -7.077 1.00 10.00 C ATOM 175 SD MET A 12 -6.459 -3.258 -6.521 1.00 10.00 S ATOM 176 CE MET A 12 -6.594 -3.669 -4.780 1.00 10.00 C ATOM 0 H MET A 12 -4.412 -7.284 -7.214 1.00 10.00 H new ATOM 0 HA MET A 12 -6.218 -7.526 -5.950 1.00 10.00 H new ATOM 0 HB2 MET A 12 -7.547 -5.835 -8.103 1.00 10.00 H new ATOM 0 HB3 MET A 12 -7.760 -5.726 -6.367 1.00 10.00 H new ATOM 0 HG2 MET A 12 -5.130 -5.242 -6.402 1.00 10.00 H new ATOM 0 HG3 MET A 12 -5.450 -4.782 -8.062 1.00 10.00 H new ATOM 0 HE1 MET A 12 -7.314 -3.003 -4.304 1.00 10.00 H new ATOM 0 HE2 MET A 12 -6.929 -4.701 -4.675 1.00 10.00 H new ATOM 0 HE3 MET A 12 -5.621 -3.553 -4.302 1.00 10.00 H new ATOM 186 N THR A 13 -7.214 -9.663 -7.061 1.00 10.00 N ATOM 187 CA THR A 13 -8.064 -10.772 -7.463 1.00 10.00 C ATOM 188 C THR A 13 -9.330 -10.874 -6.610 1.00 10.00 C ATOM 189 O THR A 13 -10.306 -11.467 -7.065 1.00 10.00 O ATOM 190 CB THR A 13 -7.245 -12.069 -7.513 1.00 10.00 C ATOM 191 OG1 THR A 13 -6.343 -12.141 -6.431 1.00 10.00 O ATOM 192 CG2 THR A 13 -6.403 -12.087 -8.790 1.00 10.00 C ATOM 0 H THR A 13 -6.365 -9.943 -6.570 1.00 10.00 H new ATOM 0 HA THR A 13 -8.430 -10.584 -8.472 1.00 10.00 H new ATOM 0 HB THR A 13 -7.945 -12.904 -7.476 1.00 10.00 H new ATOM 0 HG1 THR A 13 -6.680 -11.598 -5.688 1.00 10.00 H new ATOM 0 HG21 THR A 13 -5.820 -13.007 -8.828 1.00 10.00 H new ATOM 0 HG22 THR A 13 -7.059 -12.036 -9.659 1.00 10.00 H new ATOM 0 HG23 THR A 13 -5.729 -11.230 -8.794 1.00 10.00 H new ATOM 200 N CYS A 14 -9.354 -10.279 -5.410 1.00 10.00 N ATOM 201 CA CYS A 14 -10.590 -10.070 -4.678 1.00 10.00 C ATOM 202 C CYS A 14 -10.432 -8.899 -3.712 1.00 10.00 C ATOM 203 O CYS A 14 -9.314 -8.479 -3.423 1.00 10.00 O ATOM 204 CB CYS A 14 -10.999 -11.350 -3.939 1.00 10.00 C ATOM 205 SG CYS A 14 -9.906 -11.810 -2.574 1.00 10.00 S ATOM 0 H CYS A 14 -8.521 -9.936 -4.931 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.385 -9.826 -5.383 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -12.010 -11.223 -3.551 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -11.032 -12.172 -4.654 1.00 10.00 H new ATOM 0 HG CYS A 14 -10.342 -12.901 -2.018 1.00 10.00 H new ATOM 210 N ALA A 15 -11.541 -8.390 -3.172 1.00 10.00 N ATOM 211 CA ALA A 15 -11.516 -7.320 -2.181 1.00 10.00 C ATOM 212 C ALA A 15 -10.595 -7.661 -1.003 1.00 10.00 C ATOM 213 O ALA A 15 -9.949 -6.781 -0.432 1.00 10.00 O ATOM 214 CB ALA A 15 -12.942 -7.031 -1.702 1.00 10.00 C ATOM 0 H ALA A 15 -12.480 -8.710 -3.411 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.110 -6.424 -2.650 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.922 -6.231 -0.962 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.556 -6.726 -2.550 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.364 -7.930 -1.254 1.00 10.00 H new ATOM 220 N ALA A 16 -10.516 -8.944 -0.634 1.00 10.00 N ATOM 221 CA ALA A 16 -9.656 -9.370 0.455 1.00 10.00 C ATOM 222 C ALA A 16 -8.173 -9.151 0.133 1.00 10.00 C ATOM 223 O ALA A 16 -7.400 -8.936 1.065 1.00 10.00 O ATOM 224 CB ALA A 16 -9.949 -10.817 0.855 1.00 10.00 C ATOM 0 H ALA A 16 -11.040 -9.698 -1.078 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.882 -8.742 1.316 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.290 -11.109 1.673 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -10.987 -10.902 1.177 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.779 -11.472 0.001 1.00 10.00 H new ATOM 230 N CYS A 17 -7.769 -9.176 -1.146 1.00 10.00 N ATOM 231 CA CYS A 17 -6.412 -8.802 -1.537 1.00 10.00 C ATOM 232 C CYS A 17 -6.134 -7.389 -1.053 1.00 10.00 C ATOM 233 O CYS A 17 -5.208 -7.158 -0.275 1.00 10.00 O ATOM 234 CB CYS A 17 -6.242 -8.860 -3.061 1.00 10.00 C ATOM 235 SG CYS A 17 -6.170 -10.531 -3.738 1.00 10.00 S ATOM 0 H CYS A 17 -8.368 -9.452 -1.924 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.710 -9.505 -1.088 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.070 -8.327 -3.528 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.329 -8.331 -3.333 1.00 10.00 H new ATOM 0 HG CYS A 17 -4.929 -10.906 -3.836 1.00 10.00 H new ATOM 240 N ALA A 18 -6.955 -6.455 -1.526 1.00 10.00 N ATOM 241 CA ALA A 18 -6.896 -5.057 -1.145 1.00 10.00 C ATOM 242 C ALA A 18 -6.852 -4.924 0.378 1.00 10.00 C ATOM 243 O ALA A 18 -5.930 -4.331 0.930 1.00 10.00 O ATOM 244 CB ALA A 18 -8.085 -4.345 -1.776 1.00 10.00 C ATOM 0 H ALA A 18 -7.694 -6.659 -2.199 1.00 10.00 H new ATOM 0 HA ALA A 18 -5.984 -4.586 -1.512 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.063 -3.290 -1.504 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.033 -4.441 -2.860 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.011 -4.794 -1.416 1.00 10.00 H new ATOM 250 N ASN A 19 -7.812 -5.544 1.066 1.00 10.00 N ATOM 251 CA ASN A 19 -7.864 -5.536 2.525 1.00 10.00 C ATOM 252 C ASN A 19 -6.549 -6.026 3.151 1.00 10.00 C ATOM 253 O ASN A 19 -6.062 -5.459 4.131 1.00 10.00 O ATOM 254 CB ASN A 19 -9.045 -6.391 2.991 1.00 10.00 C ATOM 255 CG ASN A 19 -9.366 -6.139 4.458 1.00 10.00 C ATOM 256 OD1 ASN A 19 -8.828 -6.802 5.339 1.00 10.00 O ATOM 257 ND2 ASN A 19 -10.266 -5.198 4.727 1.00 10.00 N ATOM 0 H ASN A 19 -8.572 -6.064 0.627 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.004 -4.508 2.860 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.921 -6.168 2.381 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.814 -7.446 2.843 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -10.531 -5.007 5.693 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -10.692 -4.667 3.967 1.00 10.00 H new ATOM 264 N ARG A 20 -5.942 -7.074 2.580 1.00 10.00 N ATOM 265 CA ARG A 20 -4.668 -7.590 3.041 1.00 10.00 C ATOM 266 C ARG A 20 -3.592 -6.510 2.941 1.00 10.00 C ATOM 267 O ARG A 20 -2.767 -6.392 3.848 1.00 10.00 O ATOM 268 CB ARG A 20 -4.271 -8.840 2.239 1.00 10.00 C ATOM 269 CG ARG A 20 -4.227 -10.103 3.104 1.00 10.00 C ATOM 270 CD ARG A 20 -5.646 -10.632 3.335 1.00 10.00 C ATOM 271 NE ARG A 20 -5.638 -11.755 4.287 1.00 10.00 N ATOM 272 CZ ARG A 20 -6.621 -12.660 4.428 1.00 10.00 C ATOM 273 NH1 ARG A 20 -7.704 -12.599 3.645 1.00 10.00 N ATOM 274 NH2 ARG A 20 -6.514 -13.620 5.355 1.00 10.00 N ATOM 0 H ARG A 20 -6.329 -7.582 1.785 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.765 -7.879 4.088 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -4.981 -8.986 1.425 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.293 -8.681 1.785 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.621 -10.866 2.616 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -3.753 -9.882 4.060 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -6.280 -9.831 3.716 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -6.077 -10.956 2.388 1.00 10.00 H new ATOM 0 HE ARG A 20 -4.820 -11.854 4.888 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -7.784 -11.865 2.941 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -8.450 -13.286 3.752 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -5.688 -13.663 5.952 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -7.259 -14.308 5.464 1.00 10.00 H new ATOM 288 N ILE A 21 -3.598 -5.724 1.857 1.00 10.00 N ATOM 289 CA ILE A 21 -2.675 -4.599 1.720 1.00 10.00 C ATOM 290 C ILE A 21 -2.814 -3.690 2.936 1.00 10.00 C ATOM 291 O ILE A 21 -1.816 -3.362 3.571 1.00 10.00 O ATOM 292 CB ILE A 21 -2.887 -3.791 0.422 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.028 -4.728 -0.780 1.00 10.00 C ATOM 294 CG2 ILE A 21 -1.758 -2.771 0.246 1.00 10.00 C ATOM 295 CD1 ILE A 21 -2.758 -4.127 -2.164 1.00 10.00 C ATOM 0 H ILE A 21 -4.231 -5.849 1.067 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.667 -5.009 1.661 1.00 10.00 H new ATOM 0 HB ILE A 21 -3.820 -3.231 0.493 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -2.348 -5.568 -0.637 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -4.040 -5.133 -0.778 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -1.918 -2.207 -0.673 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -1.750 -2.087 1.095 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -0.802 -3.292 0.190 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -2.892 -4.894 -2.926 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -3.454 -3.308 -2.347 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.736 -3.750 -2.204 1.00 10.00 H new ATOM 307 N GLU A 22 -4.047 -3.313 3.280 1.00 10.00 N ATOM 308 CA GLU A 22 -4.310 -2.403 4.385 1.00 10.00 C ATOM 309 C GLU A 22 -3.702 -2.973 5.664 1.00 10.00 C ATOM 310 O GLU A 22 -2.989 -2.279 6.390 1.00 10.00 O ATOM 311 CB GLU A 22 -5.817 -2.152 4.536 1.00 10.00 C ATOM 312 CG GLU A 22 -6.427 -1.715 3.203 1.00 10.00 C ATOM 313 CD GLU A 22 -7.870 -1.258 3.301 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.487 -1.487 4.363 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.320 -0.687 2.284 1.00 10.00 O ATOM 0 H GLU A 22 -4.887 -3.632 2.798 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.845 -1.439 4.181 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.309 -3.059 4.887 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.989 -1.384 5.290 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.828 -0.903 2.790 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.367 -2.545 2.499 1.00 10.00 H new ATOM 322 N LYS A 23 -3.959 -4.259 5.918 1.00 10.00 N ATOM 323 CA LYS A 23 -3.433 -4.966 7.068 1.00 10.00 C ATOM 324 C LYS A 23 -1.900 -4.934 7.099 1.00 10.00 C ATOM 325 O LYS A 23 -1.298 -4.644 8.132 1.00 10.00 O ATOM 326 CB LYS A 23 -3.947 -6.417 7.062 1.00 10.00 C ATOM 327 CG LYS A 23 -4.532 -6.751 8.436 1.00 10.00 C ATOM 328 CD LYS A 23 -4.534 -8.265 8.715 1.00 10.00 C ATOM 329 CE LYS A 23 -4.038 -8.566 10.138 1.00 10.00 C ATOM 330 NZ LYS A 23 -4.974 -8.090 11.180 1.00 10.00 N ATOM 0 H LYS A 23 -4.547 -4.838 5.318 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.784 -4.463 7.969 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -4.706 -6.543 6.290 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.134 -7.102 6.824 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -3.955 -6.242 9.208 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.552 -6.371 8.497 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -5.542 -8.660 8.587 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -3.898 -8.772 7.990 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.893 -9.641 10.248 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -3.066 -8.097 10.287 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -4.592 -8.318 12.120 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -5.093 -7.060 11.095 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -5.895 -8.557 11.058 1.00 10.00 H new ATOM 344 N ARG A 24 -1.263 -5.272 5.978 1.00 10.00 N ATOM 345 CA ARG A 24 0.189 -5.274 5.880 1.00 10.00 C ATOM 346 C ARG A 24 0.732 -3.881 6.149 1.00 10.00 C ATOM 347 O ARG A 24 1.636 -3.715 6.961 1.00 10.00 O ATOM 348 CB ARG A 24 0.640 -5.751 4.494 1.00 10.00 C ATOM 349 CG ARG A 24 1.373 -7.092 4.576 1.00 10.00 C ATOM 350 CD ARG A 24 2.779 -6.915 5.154 1.00 10.00 C ATOM 351 NE ARG A 24 3.606 -8.089 4.847 1.00 10.00 N ATOM 352 CZ ARG A 24 3.622 -9.221 5.566 1.00 10.00 C ATOM 353 NH1 ARG A 24 2.830 -9.341 6.638 1.00 10.00 N ATOM 354 NH2 ARG A 24 4.422 -10.232 5.213 1.00 10.00 N ATOM 0 H ARG A 24 -1.739 -5.550 5.120 1.00 10.00 H new ATOM 0 HA ARG A 24 0.582 -5.963 6.628 1.00 10.00 H new ATOM 0 HB2 ARG A 24 -0.227 -5.848 3.841 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.295 -5.004 4.046 1.00 10.00 H new ATOM 0 HG2 ARG A 24 0.805 -7.783 5.198 1.00 10.00 H new ATOM 0 HG3 ARG A 24 1.438 -7.536 3.583 1.00 10.00 H new ATOM 0 HD2 ARG A 24 3.240 -6.018 4.740 1.00 10.00 H new ATOM 0 HD3 ARG A 24 2.721 -6.774 6.233 1.00 10.00 H new ATOM 0 HE ARG A 24 4.212 -8.040 4.028 1.00 10.00 H new ATOM 0 HH11 ARG A 24 2.216 -8.572 6.907 1.00 10.00 H new ATOM 0 HH12 ARG A 24 2.841 -10.201 7.186 1.00 10.00 H new ATOM 0 HH21 ARG A 24 5.024 -10.144 4.394 1.00 10.00 H new ATOM 0 HH22 ARG A 24 4.431 -11.091 5.763 1.00 10.00 H new ATOM 368 N LEU A 25 0.183 -2.882 5.461 1.00 10.00 N ATOM 369 CA LEU A 25 0.654 -1.518 5.592 1.00 10.00 C ATOM 370 C LEU A 25 0.473 -1.048 7.035 1.00 10.00 C ATOM 371 O LEU A 25 1.376 -0.435 7.591 1.00 10.00 O ATOM 372 CB LEU A 25 -0.029 -0.606 4.566 1.00 10.00 C ATOM 373 CG LEU A 25 0.366 -0.945 3.114 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.408 -0.044 2.153 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.857 -0.737 2.840 1.00 10.00 C ATOM 0 H LEU A 25 -0.591 -2.999 4.807 1.00 10.00 H new ATOM 0 HA LEU A 25 1.720 -1.471 5.371 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.110 -0.691 4.673 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.232 0.431 4.777 1.00 10.00 H new ATOM 0 HG LEU A 25 0.130 -1.999 2.965 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.130 -0.283 1.127 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.478 -0.205 2.286 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.169 0.999 2.360 1.00 10.00 H new ATOM 0 HD21 LEU A 25 2.075 -0.991 1.803 1.00 10.00 H new ATOM 0 HD22 LEU A 25 2.118 0.306 3.021 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.441 -1.377 3.501 1.00 10.00 H new ATOM 387 N ASN A 26 -0.640 -1.408 7.680 1.00 10.00 N ATOM 388 CA ASN A 26 -0.851 -1.155 9.104 1.00 10.00 C ATOM 389 C ASN A 26 0.295 -1.683 9.974 1.00 10.00 C ATOM 390 O ASN A 26 0.600 -1.092 11.004 1.00 10.00 O ATOM 391 CB ASN A 26 -2.176 -1.771 9.572 1.00 10.00 C ATOM 392 CG ASN A 26 -3.317 -0.760 9.544 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.725 -0.246 10.578 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.850 -0.478 8.359 1.00 10.00 N ATOM 0 H ASN A 26 -1.420 -1.884 7.227 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.885 -0.072 9.224 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.427 -2.619 8.934 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.059 -2.157 10.584 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.623 0.184 8.292 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.486 -0.924 7.517 1.00 10.00 H new ATOM 401 N LYS A 27 0.918 -2.802 9.591 1.00 10.00 N ATOM 402 CA LYS A 27 2.064 -3.342 10.322 1.00 10.00 C ATOM 403 C LYS A 27 3.255 -2.368 10.324 1.00 10.00 C ATOM 404 O LYS A 27 4.115 -2.470 11.195 1.00 10.00 O ATOM 405 CB LYS A 27 2.482 -4.708 9.743 1.00 10.00 C ATOM 406 CG LYS A 27 3.395 -5.510 10.689 1.00 10.00 C ATOM 407 CD LYS A 27 2.620 -6.569 11.484 1.00 10.00 C ATOM 408 CE LYS A 27 3.380 -7.034 12.739 1.00 10.00 C ATOM 409 NZ LYS A 27 4.794 -7.375 12.474 1.00 10.00 N ATOM 0 H LYS A 27 0.645 -3.351 8.776 1.00 10.00 H new ATOM 0 HA LYS A 27 1.754 -3.480 11.358 1.00 10.00 H new ATOM 0 HB2 LYS A 27 1.588 -5.293 9.527 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.998 -4.552 8.795 1.00 10.00 H new ATOM 0 HG2 LYS A 27 4.179 -5.996 10.109 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.887 -4.827 11.381 1.00 10.00 H new ATOM 0 HD2 LYS A 27 1.653 -6.162 11.778 1.00 10.00 H new ATOM 0 HD3 LYS A 27 2.423 -7.428 10.843 1.00 10.00 H new ATOM 0 HE2 LYS A 27 3.338 -6.248 13.493 1.00 10.00 H new ATOM 0 HE3 LYS A 27 2.876 -7.905 13.159 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 5.202 -7.838 13.311 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 4.849 -8.020 11.660 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 5.327 -6.507 12.264 1.00 10.00 H new ATOM 423 N ILE A 28 3.360 -1.477 9.332 1.00 10.00 N ATOM 424 CA ILE A 28 4.500 -0.578 9.220 1.00 10.00 C ATOM 425 C ILE A 28 4.540 0.372 10.418 1.00 10.00 C ATOM 426 O ILE A 28 3.513 0.830 10.912 1.00 10.00 O ATOM 427 CB ILE A 28 4.445 0.203 7.898 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.536 -0.763 6.704 1.00 10.00 C ATOM 429 CG2 ILE A 28 5.544 1.271 7.801 1.00 10.00 C ATOM 430 CD1 ILE A 28 4.133 -0.078 5.402 1.00 10.00 C ATOM 0 H ILE A 28 2.663 -1.364 8.596 1.00 10.00 H new ATOM 0 HA ILE A 28 5.416 -1.170 9.220 1.00 10.00 H new ATOM 0 HB ILE A 28 3.488 0.723 7.873 1.00 10.00 H new ATOM 0 HG12 ILE A 28 5.554 -1.142 6.617 1.00 10.00 H new ATOM 0 HG13 ILE A 28 3.890 -1.623 6.880 1.00 10.00 H new ATOM 0 HG21 ILE A 28 5.460 1.794 6.848 1.00 10.00 H new ATOM 0 HG22 ILE A 28 5.431 1.984 8.617 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.522 0.794 7.869 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.209 -0.788 4.579 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.106 0.278 5.481 1.00 10.00 H new ATOM 0 HD13 ILE A 28 4.796 0.766 5.215 1.00 10.00 H new ATOM 442 N GLU A 29 5.756 0.686 10.848 1.00 10.00 N ATOM 443 CA GLU A 29 6.034 1.601 11.935 1.00 10.00 C ATOM 444 C GLU A 29 6.108 3.017 11.346 1.00 10.00 C ATOM 445 O GLU A 29 6.831 3.244 10.377 1.00 10.00 O ATOM 446 CB GLU A 29 7.325 1.146 12.633 1.00 10.00 C ATOM 447 CG GLU A 29 7.225 -0.347 13.004 1.00 10.00 C ATOM 448 CD GLU A 29 8.388 -0.824 13.863 1.00 10.00 C ATOM 449 OE1 GLU A 29 8.418 -0.426 15.047 1.00 10.00 O ATOM 450 OE2 GLU A 29 9.204 -1.606 13.329 1.00 10.00 O ATOM 0 H GLU A 29 6.601 0.294 10.432 1.00 10.00 H new ATOM 0 HA GLU A 29 5.254 1.608 12.697 1.00 10.00 H new ATOM 0 HB2 GLU A 29 8.180 1.310 11.977 1.00 10.00 H new ATOM 0 HB3 GLU A 29 7.493 1.742 13.530 1.00 10.00 H new ATOM 0 HG2 GLU A 29 6.291 -0.522 13.537 1.00 10.00 H new ATOM 0 HG3 GLU A 29 7.187 -0.941 12.091 1.00 10.00 H new ATOM 457 N GLY A 30 5.293 3.940 11.865 1.00 10.00 N ATOM 458 CA GLY A 30 5.249 5.326 11.411 1.00 10.00 C ATOM 459 C GLY A 30 4.407 5.492 10.145 1.00 10.00 C ATOM 460 O GLY A 30 4.638 6.400 9.339 1.00 10.00 O ATOM 0 H GLY A 30 4.639 3.739 12.621 1.00 10.00 H new ATOM 0 HA2 GLY A 30 4.839 5.953 12.203 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.263 5.676 11.219 1.00 10.00 H new ATOM 464 N VAL A 31 3.388 4.639 10.005 1.00 10.00 N ATOM 465 CA VAL A 31 2.327 4.785 9.023 1.00 10.00 C ATOM 466 C VAL A 31 1.149 5.487 9.699 1.00 10.00 C ATOM 467 O VAL A 31 0.965 5.341 10.907 1.00 10.00 O ATOM 468 CB VAL A 31 1.950 3.401 8.466 1.00 10.00 C ATOM 469 CG1 VAL A 31 1.172 2.553 9.483 1.00 10.00 C ATOM 470 CG2 VAL A 31 1.145 3.506 7.164 1.00 10.00 C ATOM 0 H VAL A 31 3.282 3.810 10.589 1.00 10.00 H new ATOM 0 HA VAL A 31 2.647 5.391 8.175 1.00 10.00 H new ATOM 0 HB VAL A 31 2.895 2.901 8.255 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.930 1.586 9.041 1.00 10.00 H new ATOM 0 HG12 VAL A 31 1.782 2.402 10.374 1.00 10.00 H new ATOM 0 HG13 VAL A 31 0.251 3.068 9.757 1.00 10.00 H new ATOM 0 HG21 VAL A 31 0.900 2.506 6.806 1.00 10.00 H new ATOM 0 HG22 VAL A 31 0.225 4.061 7.349 1.00 10.00 H new ATOM 0 HG23 VAL A 31 1.737 4.026 6.411 1.00 10.00 H new ATOM 480 N ALA A 32 0.359 6.246 8.936 1.00 10.00 N ATOM 481 CA ALA A 32 -0.887 6.826 9.411 1.00 10.00 C ATOM 482 C ALA A 32 -2.062 5.997 8.896 1.00 10.00 C ATOM 483 O ALA A 32 -2.828 5.472 9.696 1.00 10.00 O ATOM 484 CB ALA A 32 -0.995 8.292 8.986 1.00 10.00 C ATOM 0 H ALA A 32 0.573 6.474 7.965 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.907 6.807 10.501 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.934 8.708 9.351 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -0.161 8.855 9.406 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.967 8.359 7.898 1.00 10.00 H new ATOM 490 N ASN A 33 -2.207 5.873 7.572 1.00 10.00 N ATOM 491 CA ASN A 33 -3.329 5.169 6.952 1.00 10.00 C ATOM 492 C ASN A 33 -2.884 4.604 5.608 1.00 10.00 C ATOM 493 O ASN A 33 -1.816 4.955 5.112 1.00 10.00 O ATOM 494 CB ASN A 33 -4.531 6.100 6.713 1.00 10.00 C ATOM 495 CG ASN A 33 -5.081 6.757 7.973 1.00 10.00 C ATOM 496 OD1 ASN A 33 -5.638 6.086 8.835 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.973 8.076 8.071 1.00 10.00 N ATOM 0 H ASN A 33 -1.545 6.261 6.900 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.638 4.375 7.632 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -4.237 6.880 6.011 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.329 5.528 6.239 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -5.359 8.561 8.881 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.503 8.605 7.336 1.00 10.00 H new ATOM 504 N ALA A 34 -3.725 3.760 5.003 1.00 10.00 N ATOM 505 CA ALA A 34 -3.523 3.201 3.674 1.00 10.00 C ATOM 506 C ALA A 34 -4.749 2.442 3.142 1.00 10.00 C ATOM 507 O ALA A 34 -4.619 1.268 2.805 1.00 10.00 O ATOM 508 CB ALA A 34 -2.309 2.269 3.693 1.00 10.00 C ATOM 0 H ALA A 34 -4.589 3.441 5.442 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.356 4.040 2.998 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.157 1.850 2.698 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.423 2.831 3.989 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.481 1.462 4.405 1.00 10.00 H new ATOM 514 N PRO A 35 -5.933 3.065 3.041 1.00 10.00 N ATOM 515 CA PRO A 35 -7.103 2.401 2.484 1.00 10.00 C ATOM 516 C PRO A 35 -6.918 2.178 0.976 1.00 10.00 C ATOM 517 O PRO A 35 -6.609 3.126 0.252 1.00 10.00 O ATOM 518 CB PRO A 35 -8.274 3.338 2.789 1.00 10.00 C ATOM 519 CG PRO A 35 -7.621 4.723 2.816 1.00 10.00 C ATOM 520 CD PRO A 35 -6.236 4.442 3.401 1.00 10.00 C ATOM 0 HA PRO A 35 -7.273 1.413 2.912 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.049 3.274 2.026 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.744 3.097 3.742 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.557 5.158 1.819 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -8.185 5.423 3.433 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.492 5.127 2.994 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.233 4.574 4.483 1.00 10.00 H new ATOM 528 N VAL A 36 -7.089 0.945 0.486 1.00 10.00 N ATOM 529 CA VAL A 36 -6.931 0.638 -0.929 1.00 10.00 C ATOM 530 C VAL A 36 -8.251 0.860 -1.676 1.00 10.00 C ATOM 531 O VAL A 36 -9.315 0.459 -1.208 1.00 10.00 O ATOM 532 CB VAL A 36 -6.417 -0.794 -1.087 1.00 10.00 C ATOM 533 CG1 VAL A 36 -6.160 -1.109 -2.564 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.124 -1.003 -0.291 1.00 10.00 C ATOM 0 H VAL A 36 -7.339 0.140 1.060 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.196 1.311 -1.371 1.00 10.00 H new ATOM 0 HB VAL A 36 -7.182 -1.467 -0.700 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -5.795 -2.131 -2.660 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -7.088 -1.001 -3.126 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -5.414 -0.419 -2.959 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -4.779 -2.029 -0.420 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.359 -0.315 -0.652 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.313 -0.814 0.766 1.00 10.00 H new ATOM 544 N ASN A 37 -8.189 1.485 -2.856 1.00 10.00 N ATOM 545 CA ASN A 37 -9.367 1.865 -3.621 1.00 10.00 C ATOM 546 C ASN A 37 -9.644 0.861 -4.746 1.00 10.00 C ATOM 547 O ASN A 37 -9.051 0.934 -5.827 1.00 10.00 O ATOM 548 CB ASN A 37 -9.183 3.284 -4.153 1.00 10.00 C ATOM 549 CG ASN A 37 -10.381 3.672 -5.001 1.00 10.00 C ATOM 550 OD1 ASN A 37 -11.464 3.930 -4.491 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.196 3.691 -6.313 1.00 10.00 N ATOM 0 H ASN A 37 -7.310 1.741 -3.305 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.242 1.849 -2.971 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -9.071 3.982 -3.323 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.270 3.345 -4.746 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -10.970 3.926 -6.934 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.279 3.470 -6.702 1.00 10.00 H new ATOM 558 N PHE A 38 -10.575 -0.066 -4.490 1.00 10.00 N ATOM 559 CA PHE A 38 -10.942 -1.156 -5.392 1.00 10.00 C ATOM 560 C PHE A 38 -11.783 -0.657 -6.574 1.00 10.00 C ATOM 561 O PHE A 38 -12.954 -1.002 -6.715 1.00 10.00 O ATOM 562 CB PHE A 38 -11.676 -2.254 -4.602 1.00 10.00 C ATOM 563 CG PHE A 38 -11.472 -3.654 -5.154 1.00 10.00 C ATOM 564 CD1 PHE A 38 -12.229 -4.139 -6.238 1.00 10.00 C ATOM 565 CD2 PHE A 38 -10.454 -4.450 -4.612 1.00 10.00 C ATOM 566 CE1 PHE A 38 -11.949 -5.408 -6.778 1.00 10.00 C ATOM 567 CE2 PHE A 38 -10.177 -5.719 -5.144 1.00 10.00 C ATOM 568 CZ PHE A 38 -10.919 -6.199 -6.235 1.00 10.00 C ATOM 0 H PHE A 38 -11.109 -0.075 -3.621 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.030 -1.577 -5.816 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.337 -2.230 -3.566 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.743 -2.030 -4.594 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -13.024 -3.538 -6.654 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -9.877 -4.083 -3.776 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -12.527 -5.777 -7.613 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.394 -6.326 -4.714 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.701 -7.170 -6.655 1.00 10.00 H new ATOM 578 N ALA A 39 -11.181 0.168 -7.427 1.00 10.00 N ATOM 579 CA ALA A 39 -11.803 0.657 -8.653 1.00 10.00 C ATOM 580 C ALA A 39 -10.738 1.164 -9.622 1.00 10.00 C ATOM 581 O ALA A 39 -10.684 0.740 -10.771 1.00 10.00 O ATOM 582 CB ALA A 39 -12.821 1.756 -8.330 1.00 10.00 C ATOM 0 H ALA A 39 -10.234 0.520 -7.283 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.333 -0.166 -9.133 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.278 2.112 -9.254 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.594 1.355 -7.674 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.317 2.584 -7.832 1.00 10.00 H new ATOM 588 N LEU A 40 -9.892 2.082 -9.149 1.00 10.00 N ATOM 589 CA LEU A 40 -8.843 2.707 -9.954 1.00 10.00 C ATOM 590 C LEU A 40 -7.586 1.826 -9.971 1.00 10.00 C ATOM 591 O LEU A 40 -6.709 2.014 -10.805 1.00 10.00 O ATOM 592 CB LEU A 40 -8.514 4.113 -9.418 1.00 10.00 C ATOM 593 CG LEU A 40 -9.688 5.040 -9.192 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.356 6.188 -8.229 1.00 10.00 C ATOM 595 CD2 LEU A 40 -10.227 5.587 -10.503 1.00 10.00 C ATOM 0 H LEU A 40 -9.917 2.415 -8.185 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.206 2.809 -10.977 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -7.980 4.002 -8.474 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.829 4.593 -10.117 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.465 4.436 -8.723 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.233 6.822 -8.103 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.062 5.779 -7.262 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.536 6.780 -8.637 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -11.069 6.249 -10.302 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.442 6.144 -11.015 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.557 4.761 -11.134 1.00 10.00 H new ATOM 607 N GLU A 41 -7.519 0.875 -9.031 1.00 10.00 N ATOM 608 CA GLU A 41 -6.390 -0.016 -8.789 1.00 10.00 C ATOM 609 C GLU A 41 -5.235 0.795 -8.176 1.00 10.00 C ATOM 610 O GLU A 41 -4.068 0.665 -8.539 1.00 10.00 O ATOM 611 CB GLU A 41 -6.050 -0.859 -10.041 1.00 10.00 C ATOM 612 CG GLU A 41 -5.955 -2.360 -9.702 1.00 10.00 C ATOM 613 CD GLU A 41 -5.554 -3.258 -10.872 1.00 10.00 C ATOM 614 OE1 GLU A 41 -5.917 -2.907 -12.016 1.00 10.00 O ATOM 615 OE2 GLU A 41 -4.940 -4.318 -10.596 1.00 10.00 O ATOM 0 H GLU A 41 -8.293 0.702 -8.389 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.642 -0.776 -8.050 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -6.814 -0.705 -10.803 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.104 -0.520 -10.464 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.232 -2.491 -8.897 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -6.920 -2.694 -9.321 1.00 10.00 H new ATOM 622 N THR A 42 -5.598 1.626 -7.192 1.00 10.00 N ATOM 623 CA THR A 42 -4.740 2.600 -6.530 1.00 10.00 C ATOM 624 C THR A 42 -4.908 2.473 -5.011 1.00 10.00 C ATOM 625 O THR A 42 -6.000 2.150 -4.536 1.00 10.00 O ATOM 626 CB THR A 42 -5.109 4.013 -7.008 1.00 10.00 C ATOM 627 OG1 THR A 42 -5.022 4.066 -8.416 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.201 5.096 -6.415 1.00 10.00 C ATOM 0 H THR A 42 -6.548 1.633 -6.821 1.00 10.00 H new ATOM 0 HA THR A 42 -3.696 2.413 -6.780 1.00 10.00 H new ATOM 0 HB THR A 42 -6.125 4.212 -6.668 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.258 4.966 -8.725 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.509 6.073 -6.788 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.279 5.081 -5.328 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.168 4.905 -6.707 1.00 10.00 H new ATOM 636 N VAL A 43 -3.846 2.747 -4.246 1.00 10.00 N ATOM 637 CA VAL A 43 -3.910 2.972 -2.804 1.00 10.00 C ATOM 638 C VAL A 43 -3.320 4.345 -2.511 1.00 10.00 C ATOM 639 O VAL A 43 -2.278 4.694 -3.068 1.00 10.00 O ATOM 640 CB VAL A 43 -3.194 1.859 -2.012 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.735 1.649 -2.430 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.213 2.139 -0.503 1.00 10.00 C ATOM 0 H VAL A 43 -2.901 2.819 -4.622 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.950 2.942 -2.478 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.755 0.954 -2.244 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.296 0.851 -1.831 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.694 1.375 -3.484 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.175 2.571 -2.273 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.700 1.334 0.023 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.708 3.084 -0.302 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.245 2.198 -0.157 1.00 10.00 H new ATOM 652 N THR A 44 -3.981 5.101 -1.632 1.00 10.00 N ATOM 653 CA THR A 44 -3.470 6.341 -1.075 1.00 10.00 C ATOM 654 C THR A 44 -2.899 6.014 0.305 1.00 10.00 C ATOM 655 O THR A 44 -3.661 5.772 1.238 1.00 10.00 O ATOM 656 CB THR A 44 -4.603 7.374 -0.995 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.299 7.421 -2.225 1.00 10.00 O ATOM 658 CG2 THR A 44 -4.060 8.769 -0.668 1.00 10.00 C ATOM 0 H THR A 44 -4.908 4.856 -1.284 1.00 10.00 H new ATOM 0 HA THR A 44 -2.687 6.772 -1.699 1.00 10.00 H new ATOM 0 HB THR A 44 -5.279 7.069 -0.197 1.00 10.00 H new ATOM 0 HG1 THR A 44 -6.022 8.081 -2.167 1.00 10.00 H new ATOM 0 HG21 THR A 44 -4.886 9.478 -0.618 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.545 8.743 0.292 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.362 9.079 -1.445 1.00 10.00 H new ATOM 666 N VAL A 45 -1.573 5.963 0.433 1.00 10.00 N ATOM 667 CA VAL A 45 -0.900 5.692 1.693 1.00 10.00 C ATOM 668 C VAL A 45 -0.560 7.015 2.358 1.00 10.00 C ATOM 669 O VAL A 45 0.059 7.880 1.741 1.00 10.00 O ATOM 670 CB VAL A 45 0.354 4.840 1.465 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.085 4.544 2.782 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.057 3.516 0.814 1.00 10.00 C ATOM 0 H VAL A 45 -0.933 6.111 -0.347 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.558 5.122 2.349 1.00 10.00 H new ATOM 0 HB VAL A 45 1.032 5.397 0.819 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.968 3.938 2.580 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.387 5.481 3.249 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.419 4.002 3.454 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.828 2.902 0.647 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.747 2.987 1.471 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.545 3.716 -0.140 1.00 10.00 H new ATOM 682 N GLU A 46 -0.938 7.151 3.624 1.00 10.00 N ATOM 683 CA GLU A 46 -0.550 8.257 4.465 1.00 10.00 C ATOM 684 C GLU A 46 0.508 7.738 5.435 1.00 10.00 C ATOM 685 O GLU A 46 0.212 6.846 6.233 1.00 10.00 O ATOM 686 CB GLU A 46 -1.800 8.774 5.178 1.00 10.00 C ATOM 687 CG GLU A 46 -2.840 9.267 4.162 1.00 10.00 C ATOM 688 CD GLU A 46 -3.957 10.039 4.843 1.00 10.00 C ATOM 689 OE1 GLU A 46 -4.369 9.583 5.932 1.00 10.00 O ATOM 690 OE2 GLU A 46 -4.368 11.070 4.266 1.00 10.00 O ATOM 0 H GLU A 46 -1.537 6.474 4.097 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.124 9.089 3.904 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.230 7.981 5.790 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.530 9.586 5.853 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -2.355 9.903 3.422 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -3.259 8.416 3.625 1.00 10.00 H new ATOM 697 N TYR A 47 1.734 8.258 5.356 1.00 10.00 N ATOM 698 CA TYR A 47 2.838 7.840 6.208 1.00 10.00 C ATOM 699 C TYR A 47 3.770 9.014 6.476 1.00 10.00 C ATOM 700 O TYR A 47 3.572 10.107 5.938 1.00 10.00 O ATOM 701 CB TYR A 47 3.588 6.639 5.602 1.00 10.00 C ATOM 702 CG TYR A 47 4.514 6.944 4.433 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.998 7.160 3.139 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.908 6.981 4.634 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.864 7.479 2.081 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.770 7.299 3.572 1.00 10.00 C ATOM 707 CZ TYR A 47 6.243 7.596 2.309 1.00 10.00 C ATOM 708 OH TYR A 47 7.057 8.074 1.333 1.00 10.00 O ATOM 0 H TYR A 47 1.986 8.988 4.690 1.00 10.00 H new ATOM 0 HA TYR A 47 2.432 7.509 7.164 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.176 6.169 6.391 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.851 5.906 5.273 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.936 7.080 2.961 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.316 6.764 5.610 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.467 7.635 1.089 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.838 7.315 3.729 1.00 10.00 H new ATOM 0 HH TYR A 47 7.043 9.054 1.346 1.00 10.00 H new ATOM 718 N ASN A 48 4.770 8.787 7.329 1.00 10.00 N ATOM 719 CA ASN A 48 5.791 9.773 7.667 1.00 10.00 C ATOM 720 C ASN A 48 7.102 9.416 6.958 1.00 10.00 C ATOM 721 O ASN A 48 7.656 8.355 7.256 1.00 10.00 O ATOM 722 CB ASN A 48 5.978 9.793 9.190 1.00 10.00 C ATOM 723 CG ASN A 48 6.923 10.897 9.656 1.00 10.00 C ATOM 724 OD1 ASN A 48 7.729 11.420 8.893 1.00 10.00 O ATOM 725 ND2 ASN A 48 6.822 11.275 10.923 1.00 10.00 N ATOM 0 H ASN A 48 4.893 7.897 7.811 1.00 10.00 H new ATOM 0 HA ASN A 48 5.484 10.765 7.337 1.00 10.00 H new ATOM 0 HB2 ASN A 48 5.008 9.926 9.669 1.00 10.00 H new ATOM 0 HB3 ASN A 48 6.365 8.828 9.517 1.00 10.00 H new ATOM 0 HD21 ASN A 48 7.423 12.016 11.283 1.00 10.00 H new ATOM 0 HD22 ASN A 48 6.144 10.824 11.537 1.00 10.00 H new ATOM 732 N PRO A 49 7.637 10.271 6.064 1.00 10.00 N ATOM 733 CA PRO A 49 8.892 10.015 5.366 1.00 10.00 C ATOM 734 C PRO A 49 10.100 10.263 6.284 1.00 10.00 C ATOM 735 O PRO A 49 11.032 10.985 5.936 1.00 10.00 O ATOM 736 CB PRO A 49 8.857 10.962 4.160 1.00 10.00 C ATOM 737 CG PRO A 49 8.127 12.180 4.727 1.00 10.00 C ATOM 738 CD PRO A 49 7.072 11.541 5.630 1.00 10.00 C ATOM 0 HA PRO A 49 8.998 8.977 5.051 1.00 10.00 H new ATOM 0 HB2 PRO A 49 9.858 11.214 3.811 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.325 10.525 3.315 1.00 10.00 H new ATOM 0 HG2 PRO A 49 8.798 12.832 5.286 1.00 10.00 H new ATOM 0 HG3 PRO A 49 7.676 12.785 3.941 1.00 10.00 H new ATOM 0 HD2 PRO A 49 6.848 12.181 6.483 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.137 11.389 5.091 1.00 10.00 H new ATOM 746 N LYS A 50 10.090 9.648 7.468 1.00 10.00 N ATOM 747 CA LYS A 50 11.174 9.665 8.437 1.00 10.00 C ATOM 748 C LYS A 50 11.110 8.398 9.308 1.00 10.00 C ATOM 749 O LYS A 50 11.702 8.372 10.385 1.00 10.00 O ATOM 750 CB LYS A 50 11.047 10.938 9.291 1.00 10.00 C ATOM 751 CG LYS A 50 12.360 11.311 10.000 1.00 10.00 C ATOM 752 CD LYS A 50 12.064 11.814 11.420 1.00 10.00 C ATOM 753 CE LYS A 50 13.348 12.169 12.186 1.00 10.00 C ATOM 754 NZ LYS A 50 13.701 13.599 12.070 1.00 10.00 N ATOM 0 H LYS A 50 9.289 9.102 7.786 1.00 10.00 H new ATOM 0 HA LYS A 50 12.140 9.673 7.932 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.734 11.767 8.656 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.265 10.794 10.036 1.00 10.00 H new ATOM 0 HG2 LYS A 50 13.019 10.444 10.042 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.883 12.082 9.434 1.00 10.00 H new ATOM 0 HD2 LYS A 50 11.420 12.692 11.366 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.515 11.049 11.968 1.00 10.00 H new ATOM 0 HE2 LYS A 50 13.221 11.914 13.238 1.00 10.00 H new ATOM 0 HE3 LYS A 50 14.172 11.563 11.808 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 14.574 13.786 12.604 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 13.849 13.840 11.069 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 12.929 14.180 12.455 1.00 10.00 H new ATOM 768 N GLU A 51 10.378 7.374 8.851 1.00 10.00 N ATOM 769 CA GLU A 51 10.093 6.143 9.576 1.00 10.00 C ATOM 770 C GLU A 51 10.049 5.005 8.558 1.00 10.00 C ATOM 771 O GLU A 51 10.829 4.059 8.635 1.00 10.00 O ATOM 772 CB GLU A 51 8.736 6.268 10.285 1.00 10.00 C ATOM 773 CG GLU A 51 8.821 6.931 11.668 1.00 10.00 C ATOM 774 CD GLU A 51 9.154 5.911 12.751 1.00 10.00 C ATOM 775 OE1 GLU A 51 8.206 5.207 13.162 1.00 10.00 O ATOM 776 OE2 GLU A 51 10.337 5.861 13.149 1.00 10.00 O ATOM 0 H GLU A 51 9.952 7.388 7.924 1.00 10.00 H new ATOM 0 HA GLU A 51 10.859 5.949 10.327 1.00 10.00 H new ATOM 0 HB2 GLU A 51 8.059 6.846 9.656 1.00 10.00 H new ATOM 0 HB3 GLU A 51 8.300 5.275 10.394 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.582 7.711 11.654 1.00 10.00 H new ATOM 0 HG3 GLU A 51 7.873 7.415 11.901 1.00 10.00 H new ATOM 783 N ALA A 52 9.135 5.122 7.590 1.00 10.00 N ATOM 784 CA ALA A 52 8.947 4.174 6.509 1.00 10.00 C ATOM 785 C ALA A 52 9.311 4.848 5.189 1.00 10.00 C ATOM 786 O ALA A 52 9.476 6.068 5.144 1.00 10.00 O ATOM 787 CB ALA A 52 7.485 3.734 6.514 1.00 10.00 C ATOM 0 H ALA A 52 8.488 5.909 7.544 1.00 10.00 H new ATOM 0 HA ALA A 52 9.585 3.300 6.635 1.00 10.00 H new ATOM 0 HB1 ALA A 52 7.317 3.019 5.708 1.00 10.00 H new ATOM 0 HB2 ALA A 52 7.249 3.266 7.470 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.843 4.603 6.368 1.00 10.00 H new ATOM 793 N SER A 53 9.396 4.052 4.122 1.00 10.00 N ATOM 794 CA SER A 53 9.701 4.515 2.778 1.00 10.00 C ATOM 795 C SER A 53 8.844 3.739 1.782 1.00 10.00 C ATOM 796 O SER A 53 8.504 2.578 2.026 1.00 10.00 O ATOM 797 CB SER A 53 11.190 4.324 2.452 1.00 10.00 C ATOM 798 OG SER A 53 11.998 4.347 3.610 1.00 10.00 O ATOM 0 H SER A 53 9.250 3.044 4.176 1.00 10.00 H new ATOM 0 HA SER A 53 9.479 5.580 2.711 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.328 3.375 1.934 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.514 5.110 1.769 1.00 10.00 H new ATOM 0 HG SER A 53 12.312 3.440 3.808 1.00 10.00 H new ATOM 804 N VAL A 54 8.537 4.366 0.644 1.00 10.00 N ATOM 805 CA VAL A 54 7.771 3.755 -0.434 1.00 10.00 C ATOM 806 C VAL A 54 8.379 2.406 -0.849 1.00 10.00 C ATOM 807 O VAL A 54 7.662 1.422 -1.011 1.00 10.00 O ATOM 808 CB VAL A 54 7.581 4.764 -1.579 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.895 5.227 -2.223 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.643 4.220 -2.665 1.00 10.00 C ATOM 0 H VAL A 54 8.820 5.326 0.447 1.00 10.00 H new ATOM 0 HA VAL A 54 6.767 3.506 -0.089 1.00 10.00 H new ATOM 0 HB VAL A 54 7.128 5.636 -1.108 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.679 5.937 -3.021 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.520 5.707 -1.470 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.421 4.366 -2.636 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.534 4.962 -3.456 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.061 3.304 -3.081 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.667 4.008 -2.230 1.00 10.00 H new ATOM 820 N SER A 55 9.706 2.337 -0.972 1.00 10.00 N ATOM 821 CA SER A 55 10.422 1.108 -1.284 1.00 10.00 C ATOM 822 C SER A 55 10.184 0.007 -0.241 1.00 10.00 C ATOM 823 O SER A 55 9.932 -1.142 -0.601 1.00 10.00 O ATOM 824 CB SER A 55 11.912 1.436 -1.406 1.00 10.00 C ATOM 825 OG SER A 55 12.059 2.626 -2.159 1.00 10.00 O ATOM 0 H SER A 55 10.317 3.145 -0.855 1.00 10.00 H new ATOM 0 HA SER A 55 10.044 0.713 -2.227 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.353 1.559 -0.417 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.440 0.615 -1.891 1.00 10.00 H new ATOM 0 HG SER A 55 13.011 2.846 -2.241 1.00 10.00 H new ATOM 831 N ASP A 56 10.271 0.352 1.048 1.00 10.00 N ATOM 832 CA ASP A 56 10.150 -0.618 2.130 1.00 10.00 C ATOM 833 C ASP A 56 8.755 -1.219 2.080 1.00 10.00 C ATOM 834 O ASP A 56 8.575 -2.436 2.004 1.00 10.00 O ATOM 835 CB ASP A 56 10.381 0.050 3.492 1.00 10.00 C ATOM 836 CG ASP A 56 11.817 0.505 3.683 1.00 10.00 C ATOM 837 OD1 ASP A 56 12.694 -0.382 3.729 1.00 10.00 O ATOM 838 OD2 ASP A 56 12.002 1.738 3.768 1.00 10.00 O ATOM 0 H ASP A 56 10.427 1.309 1.365 1.00 10.00 H new ATOM 0 HA ASP A 56 10.904 -1.395 2.006 1.00 10.00 H new ATOM 0 HB2 ASP A 56 9.716 0.908 3.589 1.00 10.00 H new ATOM 0 HB3 ASP A 56 10.117 -0.649 4.285 1.00 10.00 H new ATOM 843 N LEU A 57 7.752 -0.338 2.103 1.00 10.00 N ATOM 844 CA LEU A 57 6.373 -0.781 2.028 1.00 10.00 C ATOM 845 C LEU A 57 6.127 -1.577 0.751 1.00 10.00 C ATOM 846 O LEU A 57 5.390 -2.563 0.799 1.00 10.00 O ATOM 847 CB LEU A 57 5.395 0.368 2.287 1.00 10.00 C ATOM 848 CG LEU A 57 5.345 1.497 1.261 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.492 1.171 0.031 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.770 2.749 1.934 1.00 10.00 C ATOM 0 H LEU A 57 7.874 0.672 2.172 1.00 10.00 H new ATOM 0 HA LEU A 57 6.175 -1.483 2.838 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.394 -0.055 2.370 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.638 0.805 3.256 1.00 10.00 H new ATOM 0 HG LEU A 57 6.366 1.651 0.911 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.503 2.019 -0.654 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.898 0.293 -0.471 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.467 0.969 0.342 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.729 3.564 1.211 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.765 2.537 2.299 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.407 3.037 2.770 1.00 10.00 H new ATOM 862 N LYS A 58 6.772 -1.201 -0.366 1.00 10.00 N ATOM 863 CA LYS A 58 6.662 -1.954 -1.606 1.00 10.00 C ATOM 864 C LYS A 58 6.853 -3.437 -1.301 1.00 10.00 C ATOM 865 O LYS A 58 5.940 -4.223 -1.529 1.00 10.00 O ATOM 866 CB LYS A 58 7.655 -1.464 -2.682 1.00 10.00 C ATOM 867 CG LYS A 58 7.066 -1.513 -4.100 1.00 10.00 C ATOM 868 CD LYS A 58 6.753 -2.943 -4.566 1.00 10.00 C ATOM 869 CE LYS A 58 7.722 -3.483 -5.636 1.00 10.00 C ATOM 870 NZ LYS A 58 8.229 -4.829 -5.298 1.00 10.00 N ATOM 0 H LYS A 58 7.373 -0.379 -0.426 1.00 10.00 H new ATOM 0 HA LYS A 58 5.668 -1.793 -2.024 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.956 -0.442 -2.454 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.555 -2.077 -2.646 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.153 -0.918 -4.130 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.768 -1.054 -4.796 1.00 10.00 H new ATOM 0 HD2 LYS A 58 6.775 -3.608 -3.703 1.00 10.00 H new ATOM 0 HD3 LYS A 58 5.738 -2.970 -4.963 1.00 10.00 H new ATOM 0 HE2 LYS A 58 7.214 -3.519 -6.600 1.00 10.00 H new ATOM 0 HE3 LYS A 58 8.562 -2.796 -5.744 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 8.850 -5.168 -6.060 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 8.766 -4.785 -4.408 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 7.429 -5.484 -5.187 1.00 10.00 H new ATOM 884 N GLU A 59 8.013 -3.818 -0.769 1.00 10.00 N ATOM 885 CA GLU A 59 8.347 -5.212 -0.566 1.00 10.00 C ATOM 886 C GLU A 59 7.400 -5.876 0.440 1.00 10.00 C ATOM 887 O GLU A 59 7.112 -7.067 0.343 1.00 10.00 O ATOM 888 CB GLU A 59 9.828 -5.293 -0.167 1.00 10.00 C ATOM 889 CG GLU A 59 10.657 -6.046 -1.219 1.00 10.00 C ATOM 890 CD GLU A 59 10.791 -5.256 -2.518 1.00 10.00 C ATOM 891 OE1 GLU A 59 9.817 -5.263 -3.303 1.00 10.00 O ATOM 892 OE2 GLU A 59 11.861 -4.647 -2.718 1.00 10.00 O ATOM 0 H GLU A 59 8.739 -3.167 -0.470 1.00 10.00 H new ATOM 0 HA GLU A 59 8.210 -5.778 -1.487 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.227 -4.287 -0.041 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.919 -5.795 0.796 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.649 -6.254 -0.818 1.00 10.00 H new ATOM 0 HG3 GLU A 59 10.190 -7.008 -1.427 1.00 10.00 H new ATOM 899 N ALA A 60 6.877 -5.102 1.390 1.00 10.00 N ATOM 900 CA ALA A 60 5.952 -5.577 2.403 1.00 10.00 C ATOM 901 C ALA A 60 4.642 -6.022 1.756 1.00 10.00 C ATOM 902 O ALA A 60 4.080 -7.040 2.169 1.00 10.00 O ATOM 903 CB ALA A 60 5.719 -4.489 3.455 1.00 10.00 C ATOM 0 H ALA A 60 7.092 -4.109 1.474 1.00 10.00 H new ATOM 0 HA ALA A 60 6.384 -6.442 2.906 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.024 -4.856 4.210 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.666 -4.232 3.929 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.301 -3.604 2.976 1.00 10.00 H new ATOM 909 N VAL A 61 4.166 -5.262 0.758 1.00 10.00 N ATOM 910 CA VAL A 61 2.981 -5.608 -0.013 1.00 10.00 C ATOM 911 C VAL A 61 3.330 -6.674 -1.052 1.00 10.00 C ATOM 912 O VAL A 61 2.565 -7.616 -1.226 1.00 10.00 O ATOM 913 CB VAL A 61 2.374 -4.345 -0.650 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.072 -4.691 -1.381 1.00 10.00 C ATOM 915 CG2 VAL A 61 2.054 -3.295 0.424 1.00 10.00 C ATOM 0 H VAL A 61 4.601 -4.386 0.468 1.00 10.00 H new ATOM 0 HA VAL A 61 2.223 -6.030 0.646 1.00 10.00 H new ATOM 0 HB VAL A 61 3.106 -3.945 -1.352 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.654 -3.788 -1.827 1.00 10.00 H new ATOM 0 HG12 VAL A 61 1.277 -5.421 -2.164 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.357 -5.110 -0.673 1.00 10.00 H new ATOM 0 HG21 VAL A 61 1.626 -2.411 -0.048 1.00 10.00 H new ATOM 0 HG22 VAL A 61 1.339 -3.708 1.136 1.00 10.00 H new ATOM 0 HG23 VAL A 61 2.969 -3.020 0.948 1.00 10.00 H new ATOM 925 N ASP A 62 4.488 -6.568 -1.708 1.00 10.00 N ATOM 926 CA ASP A 62 4.974 -7.566 -2.659 1.00 10.00 C ATOM 927 C ASP A 62 4.940 -8.948 -2.007 1.00 10.00 C ATOM 928 O ASP A 62 4.462 -9.912 -2.602 1.00 10.00 O ATOM 929 CB ASP A 62 6.381 -7.195 -3.146 1.00 10.00 C ATOM 930 CG ASP A 62 6.708 -7.818 -4.496 1.00 10.00 C ATOM 931 OD1 ASP A 62 6.870 -9.052 -4.552 1.00 10.00 O ATOM 932 OD2 ASP A 62 6.836 -7.023 -5.459 1.00 10.00 O ATOM 0 H ASP A 62 5.121 -5.777 -1.591 1.00 10.00 H new ATOM 0 HA ASP A 62 4.326 -7.589 -3.535 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.464 -6.111 -3.219 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.116 -7.522 -2.410 1.00 10.00 H new ATOM 937 N LYS A 63 5.340 -9.014 -0.728 1.00 10.00 N ATOM 938 CA LYS A 63 5.263 -10.229 0.085 1.00 10.00 C ATOM 939 C LYS A 63 3.896 -10.937 0.003 1.00 10.00 C ATOM 940 O LYS A 63 3.824 -12.150 0.195 1.00 10.00 O ATOM 941 CB LYS A 63 5.623 -9.916 1.553 1.00 10.00 C ATOM 942 CG LYS A 63 6.634 -10.904 2.155 1.00 10.00 C ATOM 943 CD LYS A 63 6.100 -12.343 2.210 1.00 10.00 C ATOM 944 CE LYS A 63 7.031 -13.244 3.036 1.00 10.00 C ATOM 945 NZ LYS A 63 6.613 -14.662 2.984 1.00 10.00 N ATOM 0 H LYS A 63 5.729 -8.215 -0.228 1.00 10.00 H new ATOM 0 HA LYS A 63 5.992 -10.925 -0.331 1.00 10.00 H new ATOM 0 HB2 LYS A 63 6.032 -8.907 1.612 1.00 10.00 H new ATOM 0 HB3 LYS A 63 4.713 -9.927 2.153 1.00 10.00 H new ATOM 0 HG2 LYS A 63 7.550 -10.884 1.565 1.00 10.00 H new ATOM 0 HG3 LYS A 63 6.896 -10.580 3.162 1.00 10.00 H new ATOM 0 HD2 LYS A 63 5.101 -12.348 2.647 1.00 10.00 H new ATOM 0 HD3 LYS A 63 6.007 -12.739 1.199 1.00 10.00 H new ATOM 0 HE2 LYS A 63 8.051 -13.152 2.663 1.00 10.00 H new ATOM 0 HE3 LYS A 63 7.039 -12.905 4.072 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 7.266 -15.237 3.553 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 5.649 -14.754 3.364 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 6.630 -14.993 1.998 1.00 10.00 H new ATOM 959 N LEU A 64 2.808 -10.192 -0.218 1.00 10.00 N ATOM 960 CA LEU A 64 1.460 -10.733 -0.346 1.00 10.00 C ATOM 961 C LEU A 64 1.240 -11.410 -1.706 1.00 10.00 C ATOM 962 O LEU A 64 0.469 -12.364 -1.778 1.00 10.00 O ATOM 963 CB LEU A 64 0.423 -9.624 -0.124 1.00 10.00 C ATOM 964 CG LEU A 64 0.489 -8.995 1.275 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.255 -7.660 1.252 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.154 -9.907 2.328 1.00 10.00 C ATOM 0 H LEU A 64 2.845 -9.177 -0.314 1.00 10.00 H new ATOM 0 HA LEU A 64 1.336 -11.498 0.420 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.571 -8.845 -0.871 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.575 -10.033 -0.283 1.00 10.00 H new ATOM 0 HG LEU A 64 1.536 -8.851 1.540 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.215 -7.204 2.241 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.213 -6.995 0.526 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.295 -7.828 0.972 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.091 -9.433 3.307 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.200 -10.076 2.073 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.372 -10.862 2.352 1.00 10.00 H new ATOM 978 N GLY A 65 1.891 -10.934 -2.776 1.00 10.00 N ATOM 979 CA GLY A 65 1.853 -11.568 -4.089 1.00 10.00 C ATOM 980 C GLY A 65 1.770 -10.539 -5.215 1.00 10.00 C ATOM 981 O GLY A 65 2.622 -10.504 -6.100 1.00 10.00 O ATOM 0 H GLY A 65 2.463 -10.090 -2.748 1.00 10.00 H new ATOM 0 HA2 GLY A 65 2.744 -12.181 -4.222 1.00 10.00 H new ATOM 0 HA3 GLY A 65 0.994 -12.237 -4.145 1.00 10.00 H new ATOM 985 N TYR A 66 0.715 -9.722 -5.203 1.00 10.00 N ATOM 986 CA TYR A 66 0.532 -8.650 -6.180 1.00 10.00 C ATOM 987 C TYR A 66 1.618 -7.585 -6.012 1.00 10.00 C ATOM 988 O TYR A 66 2.257 -7.501 -4.965 1.00 10.00 O ATOM 989 CB TYR A 66 -0.876 -8.042 -6.081 1.00 10.00 C ATOM 990 CG TYR A 66 -1.466 -8.025 -4.689 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.876 -7.225 -3.695 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.451 -8.966 -4.339 1.00 10.00 C ATOM 993 CE1 TYR A 66 -1.282 -7.361 -2.361 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.852 -9.095 -3.000 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.315 -8.248 -2.023 1.00 10.00 C ATOM 996 OH TYR A 66 -2.768 -8.318 -0.743 1.00 10.00 O ATOM 0 H TYR A 66 -0.036 -9.786 -4.515 1.00 10.00 H new ATOM 0 HA TYR A 66 0.628 -9.075 -7.179 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.842 -7.020 -6.458 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.544 -8.601 -6.736 1.00 10.00 H new ATOM 0 HD1 TYR A 66 -0.112 -6.508 -3.959 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.898 -9.589 -5.100 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.798 -6.781 -1.590 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.575 -9.848 -2.723 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.575 -7.770 -0.651 1.00 10.00 H new ATOM 1006 N LYS A 67 1.815 -6.773 -7.052 1.00 10.00 N ATOM 1007 CA LYS A 67 2.857 -5.759 -7.100 1.00 10.00 C ATOM 1008 C LYS A 67 2.254 -4.368 -6.977 1.00 10.00 C ATOM 1009 O LYS A 67 1.053 -4.171 -7.169 1.00 10.00 O ATOM 1010 CB LYS A 67 3.704 -5.925 -8.370 1.00 10.00 C ATOM 1011 CG LYS A 67 4.892 -6.828 -8.044 1.00 10.00 C ATOM 1012 CD LYS A 67 5.657 -7.260 -9.296 1.00 10.00 C ATOM 1013 CE LYS A 67 6.928 -8.000 -8.853 1.00 10.00 C ATOM 1014 NZ LYS A 67 7.628 -8.628 -9.990 1.00 10.00 N ATOM 0 H LYS A 67 1.243 -6.806 -7.896 1.00 10.00 H new ATOM 0 HA LYS A 67 3.526 -5.889 -6.249 1.00 10.00 H new ATOM 0 HB2 LYS A 67 3.106 -6.360 -9.170 1.00 10.00 H new ATOM 0 HB3 LYS A 67 4.052 -4.954 -8.723 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.570 -6.303 -7.371 1.00 10.00 H new ATOM 0 HG3 LYS A 67 4.538 -7.713 -7.515 1.00 10.00 H new ATOM 0 HD2 LYS A 67 5.037 -7.908 -9.915 1.00 10.00 H new ATOM 0 HD3 LYS A 67 5.915 -6.391 -9.902 1.00 10.00 H new ATOM 0 HE2 LYS A 67 7.600 -7.300 -8.356 1.00 10.00 H new ATOM 0 HE3 LYS A 67 6.666 -8.765 -8.122 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 8.480 -9.116 -9.647 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 6.997 -9.315 -10.450 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 7.902 -7.896 -10.676 1.00 10.00 H new ATOM 1028 N LEU A 68 3.123 -3.425 -6.603 1.00 10.00 N ATOM 1029 CA LEU A 68 2.801 -2.076 -6.214 1.00 10.00 C ATOM 1030 C LEU A 68 3.924 -1.201 -6.763 1.00 10.00 C ATOM 1031 O LEU A 68 5.069 -1.651 -6.813 1.00 10.00 O ATOM 1032 CB LEU A 68 2.744 -2.010 -4.684 1.00 10.00 C ATOM 1033 CG LEU A 68 1.931 -0.827 -4.159 1.00 10.00 C ATOM 1034 CD1 LEU A 68 0.906 -1.327 -3.137 1.00 10.00 C ATOM 1035 CD2 LEU A 68 2.880 0.155 -3.477 1.00 10.00 C ATOM 0 H LEU A 68 4.126 -3.608 -6.566 1.00 10.00 H new ATOM 0 HA LEU A 68 1.838 -1.742 -6.599 1.00 10.00 H new ATOM 0 HB2 LEU A 68 2.313 -2.936 -4.303 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.759 -1.947 -4.292 1.00 10.00 H new ATOM 0 HG LEU A 68 1.413 -0.338 -4.984 1.00 10.00 H new ATOM 0 HD11 LEU A 68 0.325 -0.484 -2.762 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.238 -2.045 -3.613 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.424 -1.809 -2.308 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.313 1.005 -3.097 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.386 -0.343 -2.650 1.00 10.00 H new ATOM 0 HD23 LEU A 68 3.620 0.505 -4.197 1.00 10.00 H new ATOM 1047 N LYS A 69 3.616 0.019 -7.187 1.00 10.00 N ATOM 1048 CA LYS A 69 4.562 0.982 -7.729 1.00 10.00 C ATOM 1049 C LYS A 69 4.012 2.382 -7.469 1.00 10.00 C ATOM 1050 O LYS A 69 2.873 2.525 -7.041 1.00 10.00 O ATOM 1051 CB LYS A 69 4.774 0.762 -9.236 1.00 10.00 C ATOM 1052 CG LYS A 69 5.311 -0.632 -9.592 1.00 10.00 C ATOM 1053 CD LYS A 69 5.865 -0.695 -11.022 1.00 10.00 C ATOM 1054 CE LYS A 69 7.396 -0.559 -11.016 1.00 10.00 C ATOM 1055 NZ LYS A 69 7.962 -0.563 -12.381 1.00 10.00 N ATOM 0 H LYS A 69 2.661 0.377 -7.161 1.00 10.00 H new ATOM 0 HA LYS A 69 5.530 0.858 -7.244 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.827 0.919 -9.753 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.469 1.514 -9.609 1.00 10.00 H new ATOM 0 HG2 LYS A 69 6.096 -0.907 -8.888 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.513 -1.366 -9.481 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.580 -1.639 -11.487 1.00 10.00 H new ATOM 0 HD3 LYS A 69 5.426 0.101 -11.623 1.00 10.00 H new ATOM 0 HE2 LYS A 69 7.675 0.366 -10.512 1.00 10.00 H new ATOM 0 HE3 LYS A 69 7.830 -1.378 -10.442 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 8.996 -0.469 -12.328 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 7.719 -1.456 -12.855 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 7.569 0.234 -12.922 1.00 10.00 H new ATOM 1069 N LEU A 70 4.814 3.416 -7.718 1.00 10.00 N ATOM 1070 CA LEU A 70 4.426 4.800 -7.468 1.00 10.00 C ATOM 1071 C LEU A 70 3.299 5.252 -8.393 1.00 10.00 C ATOM 1072 O LEU A 70 3.239 4.855 -9.557 1.00 10.00 O ATOM 1073 CB LEU A 70 5.666 5.703 -7.535 1.00 10.00 C ATOM 1074 CG LEU A 70 5.470 7.226 -7.684 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.793 7.898 -7.301 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.137 7.664 -9.120 1.00 10.00 C ATOM 0 H LEU A 70 5.754 3.315 -8.100 1.00 10.00 H new ATOM 0 HA LEU A 70 4.015 4.879 -6.462 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.248 5.532 -6.629 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.275 5.365 -8.373 1.00 10.00 H new ATOM 0 HG LEU A 70 4.632 7.512 -7.048 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.692 8.979 -7.395 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.045 7.645 -6.271 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.584 7.549 -7.964 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.013 8.746 -9.151 1.00 10.00 H new ATOM 0 HD22 LEU A 70 5.949 7.373 -9.787 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.213 7.183 -9.442 1.00 10.00 H new ATOM 1088 N LYS A 71 2.439 6.121 -7.858 1.00 10.00 N ATOM 1089 CA LYS A 71 1.409 6.841 -8.595 1.00 10.00 C ATOM 1090 C LYS A 71 1.576 8.357 -8.447 1.00 10.00 C ATOM 1091 O LYS A 71 1.613 9.057 -9.456 1.00 10.00 O ATOM 1092 CB LYS A 71 -0.004 6.363 -8.223 1.00 10.00 C ATOM 1093 CG LYS A 71 -1.015 6.628 -9.347 1.00 10.00 C ATOM 1094 CD LYS A 71 -1.031 5.450 -10.327 1.00 10.00 C ATOM 1095 CE LYS A 71 -1.097 5.848 -11.808 1.00 10.00 C ATOM 1096 NZ LYS A 71 0.176 5.527 -12.481 1.00 10.00 N ATOM 0 H LYS A 71 2.444 6.348 -6.864 1.00 10.00 H new ATOM 0 HA LYS A 71 1.538 6.610 -9.652 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.021 5.296 -8.002 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.331 6.869 -7.315 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.009 6.774 -8.926 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.754 7.546 -9.873 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -0.136 4.849 -10.166 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.887 4.815 -10.097 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -1.917 5.322 -12.297 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -1.304 6.914 -11.896 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 0.212 6.006 -13.403 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 0.971 5.849 -11.892 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 0.244 4.499 -12.622 1.00 10.00 H new