USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 566 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 41 GLN :FLIP amide:sc= -3.68! F(o=-6.8,f=-4.8!) USER MOD Set 1.2: A 69 MET CE :methyl -156:sc= -1.1 (180deg=-2.51) USER MOD Set 2.1: A 54 LYS NZ :NH3+ 142:sc= 0.891 (180deg=0) USER MOD Set 2.2: A 59 TYR OH : rot 30:sc= 0.767 USER MOD Set 3.1: A 22 THR OG1 : rot -54:sc= -4.3! USER MOD Set 3.2: A 56 MET CE :methyl -169:sc= -5.62! (180deg=-5.06!) USER MOD Single : A 2 GLN : amide:sc= -1.03 X(o=-1,f=-1.5) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 48:sc= 1.03 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.661 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 8:sc= 0.821 USER MOD Single : A 17 THR OG1 : rot 131:sc= -2.26 USER MOD Single : A 27 LYS NZ :NH3+ -151:sc= 0.669 (180deg=0.234) USER MOD Single : A 28 GLN : amide:sc= -0.0328 K(o=-0.033,f=-1.4!) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= -0.181 (180deg=-0.542) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0134) USER MOD Single : A 40 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.24) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.182 K(o=-0.18,f=-3.1!) USER MOD Single : A 53 SER OG : rot -53:sc= 0.463 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -72:sc= -1.42 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 2.723 -2.307 -1.332 1.00 63.11 N ATOM 19 CA GLN A 2 3.113 -3.711 -1.380 1.00 34.41 C ATOM 20 C GLN A 2 2.953 -4.273 -2.789 1.00 13.02 C ATOM 21 O GLN A 2 2.087 -3.835 -3.547 1.00 41.02 O ATOM 22 CB GLN A 2 2.275 -4.528 -0.394 1.00 64.53 C ATOM 23 CG GLN A 2 0.826 -4.698 -0.821 1.00 43.43 C ATOM 24 CD GLN A 2 0.036 -3.407 -0.730 1.00 4.24 C ATOM 25 OE1 GLN A 2 0.016 -2.610 -1.668 1.00 74.23 O ATOM 26 NE2 GLN A 2 -0.619 -3.193 0.405 1.00 34.21 N ATOM 0 HA GLN A 2 4.164 -3.780 -1.098 1.00 34.41 H new ATOM 0 HB2 GLN A 2 2.728 -5.512 -0.274 1.00 64.53 H new ATOM 0 HB3 GLN A 2 2.303 -4.043 0.582 1.00 64.53 H new ATOM 0 HG2 GLN A 2 0.794 -5.068 -1.846 1.00 43.43 H new ATOM 0 HG3 GLN A 2 0.353 -5.454 -0.195 1.00 43.43 H new ATOM 0 HE21 GLN A 2 -0.575 -3.881 1.157 1.00 34.21 H new ATOM 0 HE22 GLN A 2 -1.166 -2.341 0.525 1.00 34.21 H new ATOM 35 N ILE A 3 3.792 -5.244 -3.132 1.00 44.23 N ATOM 36 CA ILE A 3 3.743 -5.865 -4.450 1.00 20.22 C ATOM 37 C ILE A 3 3.659 -7.384 -4.339 1.00 13.33 C ATOM 38 O ILE A 3 3.833 -7.949 -3.259 1.00 12.54 O ATOM 39 CB ILE A 3 4.975 -5.491 -5.295 1.00 71.21 C ATOM 40 CG1 ILE A 3 6.241 -6.098 -4.687 1.00 61.02 C ATOM 41 CG2 ILE A 3 5.104 -3.979 -5.402 1.00 65.13 C ATOM 42 CD1 ILE A 3 7.494 -5.804 -5.482 1.00 51.02 C ATOM 0 H ILE A 3 4.514 -5.618 -2.516 1.00 44.23 H new ATOM 0 HA ILE A 3 2.847 -5.489 -4.943 1.00 20.22 H new ATOM 0 HB ILE A 3 4.846 -5.897 -6.298 1.00 71.21 H new ATOM 0 HG12 ILE A 3 6.366 -5.717 -3.673 1.00 61.02 H new ATOM 0 HG13 ILE A 3 6.115 -7.178 -4.609 1.00 61.02 H new ATOM 0 HG21 ILE A 3 5.979 -3.730 -6.002 1.00 65.13 H new ATOM 0 HG22 ILE A 3 4.211 -3.570 -5.875 1.00 65.13 H new ATOM 0 HG23 ILE A 3 5.214 -3.552 -4.405 1.00 65.13 H new ATOM 0 HD11 ILE A 3 8.352 -6.265 -4.993 1.00 51.02 H new ATOM 0 HD12 ILE A 3 7.390 -6.209 -6.489 1.00 51.02 H new ATOM 0 HD13 ILE A 3 7.644 -4.726 -5.538 1.00 51.02 H new ATOM 54 N PHE A 4 3.392 -8.040 -5.463 1.00 42.11 N ATOM 55 CA PHE A 4 3.286 -9.494 -5.493 1.00 13.11 C ATOM 56 C PHE A 4 4.363 -10.100 -6.387 1.00 25.00 C ATOM 57 O PHE A 4 4.546 -9.678 -7.529 1.00 64.33 O ATOM 58 CB PHE A 4 1.900 -9.915 -5.988 1.00 4.03 C ATOM 59 CG PHE A 4 0.845 -9.875 -4.920 1.00 53.31 C ATOM 60 CD1 PHE A 4 0.566 -8.696 -4.247 1.00 72.21 C ATOM 61 CD2 PHE A 4 0.132 -11.016 -4.589 1.00 54.32 C ATOM 62 CE1 PHE A 4 -0.405 -8.656 -3.264 1.00 53.43 C ATOM 63 CE2 PHE A 4 -0.841 -10.981 -3.608 1.00 21.13 C ATOM 64 CZ PHE A 4 -1.109 -9.800 -2.944 1.00 2.14 C ATOM 0 H PHE A 4 3.245 -7.588 -6.365 1.00 42.11 H new ATOM 0 HA PHE A 4 3.431 -9.865 -4.478 1.00 13.11 H new ATOM 0 HB2 PHE A 4 1.601 -9.261 -6.807 1.00 4.03 H new ATOM 0 HB3 PHE A 4 1.959 -10.926 -6.392 1.00 4.03 H new ATOM 0 HD1 PHE A 4 1.113 -7.798 -4.493 1.00 72.21 H new ATOM 0 HD2 PHE A 4 0.339 -11.943 -5.103 1.00 54.32 H new ATOM 0 HE1 PHE A 4 -0.613 -7.731 -2.747 1.00 53.43 H new ATOM 0 HE2 PHE A 4 -1.391 -11.877 -3.361 1.00 21.13 H new ATOM 0 HZ PHE A 4 -1.868 -9.771 -2.176 1.00 2.14 H new ATOM 74 N ILE A 5 5.074 -11.091 -5.858 1.00 51.44 N ATOM 75 CA ILE A 5 6.133 -11.755 -6.608 1.00 32.11 C ATOM 76 C ILE A 5 5.899 -13.261 -6.673 1.00 11.51 C ATOM 77 O ILE A 5 5.422 -13.868 -5.714 1.00 60.21 O ATOM 78 CB ILE A 5 7.516 -11.488 -5.985 1.00 70.23 C ATOM 79 CG1 ILE A 5 7.805 -9.986 -5.957 1.00 23.03 C ATOM 80 CG2 ILE A 5 8.597 -12.227 -6.760 1.00 40.32 C ATOM 81 CD1 ILE A 5 7.574 -9.352 -4.603 1.00 4.20 C ATOM 0 H ILE A 5 4.936 -11.451 -4.914 1.00 51.44 H new ATOM 0 HA ILE A 5 6.112 -11.343 -7.617 1.00 32.11 H new ATOM 0 HB ILE A 5 7.514 -11.858 -4.960 1.00 70.23 H new ATOM 0 HG12 ILE A 5 8.839 -9.817 -6.257 1.00 23.03 H new ATOM 0 HG13 ILE A 5 7.175 -9.489 -6.694 1.00 23.03 H new ATOM 0 HG21 ILE A 5 9.569 -12.029 -6.308 1.00 40.32 H new ATOM 0 HG22 ILE A 5 8.396 -13.298 -6.733 1.00 40.32 H new ATOM 0 HG23 ILE A 5 8.601 -11.884 -7.795 1.00 40.32 H new ATOM 0 HD11 ILE A 5 7.798 -8.287 -4.657 1.00 4.20 H new ATOM 0 HD12 ILE A 5 6.533 -9.489 -4.310 1.00 4.20 H new ATOM 0 HD13 ILE A 5 8.224 -9.823 -3.865 1.00 4.20 H new ATOM 93 N LYS A 6 6.239 -13.858 -7.810 1.00 25.13 N ATOM 94 CA LYS A 6 6.070 -15.294 -8.001 1.00 3.33 C ATOM 95 C LYS A 6 7.348 -15.925 -8.544 1.00 4.33 C ATOM 96 O LYS A 6 8.066 -15.315 -9.338 1.00 32.22 O ATOM 97 CB LYS A 6 4.907 -15.568 -8.957 1.00 22.33 C ATOM 98 CG LYS A 6 3.562 -15.685 -8.261 1.00 23.24 C ATOM 99 CD LYS A 6 2.925 -14.323 -8.047 1.00 12.43 C ATOM 100 CE LYS A 6 2.132 -13.880 -9.267 1.00 62.32 C ATOM 101 NZ LYS A 6 1.730 -12.449 -9.179 1.00 33.35 N ATOM 0 H LYS A 6 6.634 -13.370 -8.614 1.00 25.13 H new ATOM 0 HA LYS A 6 5.849 -15.741 -7.032 1.00 3.33 H new ATOM 0 HB2 LYS A 6 4.857 -14.766 -9.694 1.00 22.33 H new ATOM 0 HB3 LYS A 6 5.106 -16.490 -9.503 1.00 22.33 H new ATOM 0 HG2 LYS A 6 2.896 -16.310 -8.857 1.00 23.24 H new ATOM 0 HG3 LYS A 6 3.691 -16.183 -7.300 1.00 23.24 H new ATOM 0 HD2 LYS A 6 2.268 -14.360 -7.178 1.00 12.43 H new ATOM 0 HD3 LYS A 6 3.700 -13.588 -7.829 1.00 12.43 H new ATOM 0 HE2 LYS A 6 2.731 -14.034 -10.165 1.00 62.32 H new ATOM 0 HE3 LYS A 6 1.242 -14.502 -9.367 1.00 62.32 H new ATOM 0 HZ1 LYS A 6 1.192 -12.187 -10.029 1.00 33.35 H new ATOM 0 HZ2 LYS A 6 1.137 -12.306 -8.336 1.00 33.35 H new ATOM 0 HZ3 LYS A 6 2.580 -11.853 -9.110 1.00 33.35 H new ATOM 115 N THR A 7 7.628 -17.151 -8.112 1.00 14.32 N ATOM 116 CA THR A 7 8.819 -17.864 -8.555 1.00 34.32 C ATOM 117 C THR A 7 8.459 -18.986 -9.523 1.00 45.41 C ATOM 118 O THR A 7 7.284 -19.290 -9.728 1.00 33.11 O ATOM 119 CB THR A 7 9.593 -18.459 -7.363 1.00 41.34 C ATOM 120 OG1 THR A 7 10.837 -19.008 -7.813 1.00 33.44 O ATOM 121 CG2 THR A 7 8.776 -19.539 -6.671 1.00 73.15 C ATOM 0 H THR A 7 7.045 -17.671 -7.455 1.00 14.32 H new ATOM 0 HA THR A 7 9.452 -17.137 -9.064 1.00 34.32 H new ATOM 0 HB THR A 7 9.786 -17.660 -6.648 1.00 41.34 H new ATOM 0 HG1 THR A 7 11.290 -18.360 -8.392 1.00 33.44 H new ATOM 0 HG21 THR A 7 9.344 -19.944 -5.833 1.00 73.15 H new ATOM 0 HG22 THR A 7 7.843 -19.111 -6.304 1.00 73.15 H new ATOM 0 HG23 THR A 7 8.555 -20.338 -7.379 1.00 73.15 H new ATOM 129 N LEU A 8 9.478 -19.598 -10.116 1.00 45.53 N ATOM 130 CA LEU A 8 9.270 -20.687 -11.064 1.00 20.24 C ATOM 131 C LEU A 8 8.708 -21.919 -10.361 1.00 71.14 C ATOM 132 O LEU A 8 8.019 -22.736 -10.973 1.00 70.32 O ATOM 133 CB LEU A 8 10.584 -21.040 -11.763 1.00 1.32 C ATOM 134 CG LEU A 8 10.495 -22.093 -12.867 1.00 70.25 C ATOM 135 CD1 LEU A 8 10.199 -21.438 -14.207 1.00 42.25 C ATOM 136 CD2 LEU A 8 11.783 -22.901 -12.939 1.00 53.24 C ATOM 0 H LEU A 8 10.457 -19.359 -9.957 1.00 45.53 H new ATOM 0 HA LEU A 8 8.548 -20.354 -11.810 1.00 20.24 H new ATOM 0 HB2 LEU A 8 11.001 -20.128 -12.191 1.00 1.32 H new ATOM 0 HB3 LEU A 8 11.290 -21.391 -11.010 1.00 1.32 H new ATOM 0 HG LEU A 8 9.676 -22.772 -12.629 1.00 70.25 H new ATOM 0 HD11 LEU A 8 10.139 -22.203 -14.981 1.00 42.25 H new ATOM 0 HD12 LEU A 8 9.250 -20.905 -14.150 1.00 42.25 H new ATOM 0 HD13 LEU A 8 10.995 -20.735 -14.452 1.00 42.25 H new ATOM 0 HD21 LEU A 8 11.701 -23.646 -13.731 1.00 53.24 H new ATOM 0 HD22 LEU A 8 12.619 -22.235 -13.152 1.00 53.24 H new ATOM 0 HD23 LEU A 8 11.952 -23.402 -11.986 1.00 53.24 H new ATOM 148 N THR A 9 9.005 -22.046 -9.072 1.00 13.13 N ATOM 149 CA THR A 9 8.529 -23.177 -8.285 1.00 54.05 C ATOM 150 C THR A 9 7.056 -23.016 -7.927 1.00 74.43 C ATOM 151 O THR A 9 6.426 -23.943 -7.418 1.00 50.51 O ATOM 152 CB THR A 9 9.345 -23.344 -6.990 1.00 31.00 C ATOM 153 OG1 THR A 9 8.957 -22.350 -6.035 1.00 22.00 O ATOM 154 CG2 THR A 9 10.836 -23.230 -7.271 1.00 74.12 C ATOM 0 H THR A 9 9.574 -21.379 -8.550 1.00 13.13 H new ATOM 0 HA THR A 9 8.655 -24.067 -8.902 1.00 54.05 H new ATOM 0 HB THR A 9 9.143 -24.335 -6.585 1.00 31.00 H new ATOM 0 HG1 THR A 9 9.479 -22.464 -5.214 1.00 22.00 H new ATOM 0 HG21 THR A 9 11.392 -23.351 -6.341 1.00 74.12 H new ATOM 0 HG22 THR A 9 11.134 -24.006 -7.976 1.00 74.12 H new ATOM 0 HG23 THR A 9 11.052 -22.251 -7.698 1.00 74.12 H new ATOM 162 N GLY A 10 6.511 -21.834 -8.198 1.00 12.13 N ATOM 163 CA GLY A 10 5.115 -21.574 -7.898 1.00 30.25 C ATOM 164 C GLY A 10 4.931 -20.843 -6.582 1.00 60.43 C ATOM 165 O GLY A 10 3.832 -20.387 -6.265 1.00 23.43 O ATOM 0 H GLY A 10 7.011 -21.052 -8.620 1.00 12.13 H new ATOM 0 HA2 GLY A 10 4.678 -20.983 -8.703 1.00 30.25 H new ATOM 0 HA3 GLY A 10 4.572 -22.518 -7.865 1.00 30.25 H new ATOM 169 N LYS A 11 6.009 -20.732 -5.813 1.00 72.23 N ATOM 170 CA LYS A 11 5.963 -20.052 -4.524 1.00 72.23 C ATOM 171 C LYS A 11 5.521 -18.602 -4.690 1.00 13.22 C ATOM 172 O LYS A 11 5.884 -17.938 -5.661 1.00 54.33 O ATOM 173 CB LYS A 11 7.335 -20.104 -3.848 1.00 35.42 C ATOM 174 CG LYS A 11 7.266 -20.075 -2.331 1.00 30.43 C ATOM 175 CD LYS A 11 8.460 -20.777 -1.705 1.00 72.11 C ATOM 176 CE LYS A 11 8.206 -22.267 -1.538 1.00 34.42 C ATOM 177 NZ LYS A 11 9.198 -22.900 -0.625 1.00 72.34 N ATOM 0 H LYS A 11 6.926 -21.105 -6.060 1.00 72.23 H new ATOM 0 HA LYS A 11 5.235 -20.566 -3.896 1.00 72.23 H new ATOM 0 HB2 LYS A 11 7.852 -21.011 -4.163 1.00 35.42 H new ATOM 0 HB3 LYS A 11 7.933 -19.260 -4.193 1.00 35.42 H new ATOM 0 HG2 LYS A 11 7.229 -19.041 -1.987 1.00 30.43 H new ATOM 0 HG3 LYS A 11 6.345 -20.555 -1.998 1.00 30.43 H new ATOM 0 HD2 LYS A 11 9.341 -20.625 -2.329 1.00 72.11 H new ATOM 0 HD3 LYS A 11 8.676 -20.333 -0.734 1.00 72.11 H new ATOM 0 HE2 LYS A 11 7.201 -22.422 -1.146 1.00 34.42 H new ATOM 0 HE3 LYS A 11 8.247 -22.754 -2.512 1.00 34.42 H new ATOM 0 HZ1 LYS A 11 8.991 -23.915 -0.537 1.00 72.34 H new ATOM 0 HZ2 LYS A 11 10.155 -22.774 -1.012 1.00 72.34 H new ATOM 0 HZ3 LYS A 11 9.142 -22.453 0.312 1.00 72.34 H new ATOM 191 N THR A 12 4.736 -18.114 -3.734 1.00 34.30 N ATOM 192 CA THR A 12 4.244 -16.743 -3.774 1.00 5.32 C ATOM 193 C THR A 12 4.913 -15.888 -2.703 1.00 70.11 C ATOM 194 O THR A 12 4.828 -16.190 -1.512 1.00 63.23 O ATOM 195 CB THR A 12 2.717 -16.687 -3.580 1.00 4.14 C ATOM 196 OG1 THR A 12 2.067 -17.480 -4.579 1.00 42.32 O ATOM 197 CG2 THR A 12 2.214 -15.253 -3.656 1.00 23.33 C ATOM 0 H THR A 12 4.427 -18.649 -2.922 1.00 34.30 H new ATOM 0 HA THR A 12 4.492 -16.347 -4.759 1.00 5.32 H new ATOM 0 HB THR A 12 2.483 -17.085 -2.593 1.00 4.14 H new ATOM 0 HG1 THR A 12 1.097 -17.441 -4.448 1.00 42.32 H new ATOM 0 HG21 THR A 12 1.133 -15.239 -3.516 1.00 23.33 H new ATOM 0 HG22 THR A 12 2.689 -14.659 -2.875 1.00 23.33 H new ATOM 0 HG23 THR A 12 2.459 -14.833 -4.631 1.00 23.33 H new ATOM 205 N ILE A 13 5.576 -14.820 -3.134 1.00 24.52 N ATOM 206 CA ILE A 13 6.258 -13.921 -2.211 1.00 33.42 C ATOM 207 C ILE A 13 5.653 -12.522 -2.259 1.00 33.52 C ATOM 208 O ILE A 13 5.745 -11.828 -3.272 1.00 14.14 O ATOM 209 CB ILE A 13 7.763 -13.828 -2.523 1.00 71.43 C ATOM 210 CG1 ILE A 13 8.360 -15.228 -2.686 1.00 14.11 C ATOM 211 CG2 ILE A 13 8.486 -13.063 -1.425 1.00 54.10 C ATOM 212 CD1 ILE A 13 9.828 -15.220 -3.048 1.00 24.33 C ATOM 0 H ILE A 13 5.655 -14.556 -4.116 1.00 24.52 H new ATOM 0 HA ILE A 13 6.128 -14.337 -1.212 1.00 33.42 H new ATOM 0 HB ILE A 13 7.891 -13.287 -3.460 1.00 71.43 H new ATOM 0 HG12 ILE A 13 8.226 -15.782 -1.757 1.00 14.11 H new ATOM 0 HG13 ILE A 13 7.807 -15.763 -3.458 1.00 14.11 H new ATOM 0 HG21 ILE A 13 9.549 -13.006 -1.660 1.00 54.10 H new ATOM 0 HG22 ILE A 13 8.076 -12.056 -1.353 1.00 54.10 H new ATOM 0 HG23 ILE A 13 8.352 -13.578 -0.474 1.00 54.10 H new ATOM 0 HD11 ILE A 13 10.184 -16.245 -3.147 1.00 24.33 H new ATOM 0 HD12 ILE A 13 9.967 -14.695 -3.993 1.00 24.33 H new ATOM 0 HD13 ILE A 13 10.393 -14.714 -2.265 1.00 24.33 H new ATOM 224 N THR A 14 5.034 -12.113 -1.155 1.00 42.24 N ATOM 225 CA THR A 14 4.414 -10.797 -1.071 1.00 4.44 C ATOM 226 C THR A 14 4.783 -10.098 0.234 1.00 74.54 C ATOM 227 O THR A 14 4.519 -10.613 1.320 1.00 71.11 O ATOM 228 CB THR A 14 2.880 -10.890 -1.174 1.00 64.22 C ATOM 229 OG1 THR A 14 2.339 -11.421 0.041 1.00 52.15 O ATOM 230 CG2 THR A 14 2.470 -11.770 -2.345 1.00 52.03 C ATOM 0 H THR A 14 4.949 -12.674 -0.308 1.00 42.24 H new ATOM 0 HA THR A 14 4.792 -10.216 -1.912 1.00 4.44 H new ATOM 0 HB THR A 14 2.487 -9.887 -1.338 1.00 64.22 H new ATOM 0 HG1 THR A 14 3.049 -11.487 0.714 1.00 52.15 H new ATOM 0 HG21 THR A 14 1.383 -11.821 -2.398 1.00 52.03 H new ATOM 0 HG22 THR A 14 2.859 -11.348 -3.271 1.00 52.03 H new ATOM 0 HG23 THR A 14 2.874 -12.773 -2.206 1.00 52.03 H new ATOM 238 N ALA A 15 5.393 -8.923 0.119 1.00 73.54 N ATOM 239 CA ALA A 15 5.795 -8.154 1.289 1.00 15.43 C ATOM 240 C ALA A 15 6.144 -6.719 0.909 1.00 2.22 C ATOM 241 O ALA A 15 6.429 -6.427 -0.252 1.00 13.02 O ATOM 242 CB ALA A 15 6.974 -8.821 1.980 1.00 3.05 C ATOM 0 H ALA A 15 5.619 -8.483 -0.773 1.00 73.54 H new ATOM 0 HA ALA A 15 4.953 -8.124 1.980 1.00 15.43 H new ATOM 0 HB1 ALA A 15 7.263 -8.235 2.852 1.00 3.05 H new ATOM 0 HB2 ALA A 15 6.691 -9.825 2.295 1.00 3.05 H new ATOM 0 HB3 ALA A 15 7.814 -8.881 1.289 1.00 3.05 H new ATOM 248 N GLU A 16 6.120 -5.827 1.895 1.00 21.53 N ATOM 249 CA GLU A 16 6.433 -4.423 1.662 1.00 3.40 C ATOM 250 C GLU A 16 7.936 -4.222 1.487 1.00 10.05 C ATOM 251 O GLU A 16 8.743 -4.895 2.129 1.00 22.40 O ATOM 252 CB GLU A 16 5.924 -3.564 2.822 1.00 65.20 C ATOM 253 CG GLU A 16 4.473 -3.141 2.675 1.00 54.13 C ATOM 254 CD GLU A 16 3.508 -4.152 3.264 1.00 53.43 C ATOM 255 OE1 GLU A 16 3.231 -5.168 2.592 1.00 1.15 O ATOM 256 OE2 GLU A 16 3.029 -3.926 4.395 1.00 61.52 O ATOM 0 H GLU A 16 5.887 -6.052 2.862 1.00 21.53 H new ATOM 0 HA GLU A 16 5.933 -4.114 0.744 1.00 3.40 H new ATOM 0 HB2 GLU A 16 6.039 -4.120 3.752 1.00 65.20 H new ATOM 0 HB3 GLU A 16 6.547 -2.673 2.904 1.00 65.20 H new ATOM 0 HG2 GLU A 16 4.328 -2.178 3.164 1.00 54.13 H new ATOM 0 HG3 GLU A 16 4.245 -2.999 1.619 1.00 54.13 H new ATOM 263 N THR A 17 8.305 -3.291 0.614 1.00 43.45 N ATOM 264 CA THR A 17 9.710 -3.002 0.352 1.00 14.42 C ATOM 265 C THR A 17 9.985 -1.504 0.422 1.00 51.13 C ATOM 266 O THR A 17 9.072 -0.705 0.629 1.00 30.32 O ATOM 267 CB THR A 17 10.144 -3.528 -1.029 1.00 21.45 C ATOM 268 OG1 THR A 17 11.571 -3.489 -1.141 1.00 41.31 O ATOM 269 CG2 THR A 17 9.519 -2.703 -2.144 1.00 23.54 C ATOM 0 H THR A 17 7.650 -2.723 0.076 1.00 43.45 H new ATOM 0 HA THR A 17 10.287 -3.511 1.124 1.00 14.42 H new ATOM 0 HB THR A 17 9.800 -4.558 -1.126 1.00 21.45 H new ATOM 0 HG1 THR A 17 11.897 -4.353 -1.468 1.00 41.31 H new ATOM 0 HG21 THR A 17 9.840 -3.094 -3.110 1.00 23.54 H new ATOM 0 HG22 THR A 17 8.433 -2.759 -2.073 1.00 23.54 H new ATOM 0 HG23 THR A 17 9.836 -1.664 -2.049 1.00 23.54 H new ATOM 277 N GLU A 18 11.249 -1.130 0.246 1.00 35.21 N ATOM 278 CA GLU A 18 11.643 0.273 0.289 1.00 15.04 C ATOM 279 C GLU A 18 11.541 0.910 -1.094 1.00 31.42 C ATOM 280 O GLU A 18 11.842 0.289 -2.114 1.00 13.41 O ATOM 281 CB GLU A 18 13.071 0.409 0.822 1.00 73.45 C ATOM 282 CG GLU A 18 13.140 0.701 2.311 1.00 41.01 C ATOM 283 CD GLU A 18 13.090 -0.557 3.156 1.00 75.35 C ATOM 284 OE1 GLU A 18 12.741 -0.455 4.351 1.00 62.34 O ATOM 285 OE2 GLU A 18 13.398 -1.643 2.622 1.00 23.33 O ATOM 0 H GLU A 18 12.017 -1.779 0.072 1.00 35.21 H new ATOM 0 HA GLU A 18 10.961 0.795 0.961 1.00 15.04 H new ATOM 0 HB2 GLU A 18 13.616 -0.512 0.615 1.00 73.45 H new ATOM 0 HB3 GLU A 18 13.578 1.208 0.280 1.00 73.45 H new ATOM 0 HG2 GLU A 18 14.060 1.244 2.529 1.00 41.01 H new ATOM 0 HG3 GLU A 18 12.312 1.353 2.588 1.00 41.01 H new ATOM 292 N PRO A 19 11.106 2.178 -1.130 1.00 71.14 N ATOM 293 CA PRO A 19 10.954 2.927 -2.381 1.00 61.24 C ATOM 294 C PRO A 19 12.296 3.265 -3.021 1.00 3.41 C ATOM 295 O PRO A 19 12.398 3.397 -4.240 1.00 52.42 O ATOM 296 CB PRO A 19 10.232 4.204 -1.945 1.00 4.13 C ATOM 297 CG PRO A 19 10.591 4.369 -0.508 1.00 54.31 C ATOM 298 CD PRO A 19 10.729 2.979 0.047 1.00 64.44 C ATOM 0 HA PRO A 19 10.416 2.354 -3.136 1.00 61.24 H new ATOM 0 HB2 PRO A 19 10.554 5.062 -2.535 1.00 4.13 H new ATOM 0 HB3 PRO A 19 9.154 4.114 -2.076 1.00 4.13 H new ATOM 0 HG2 PRO A 19 11.521 4.926 -0.400 1.00 54.31 H new ATOM 0 HG3 PRO A 19 9.821 4.927 0.025 1.00 54.31 H new ATOM 0 HD2 PRO A 19 11.490 2.931 0.826 1.00 64.44 H new ATOM 0 HD3 PRO A 19 9.797 2.629 0.490 1.00 64.44 H new ATOM 306 N ALA A 20 13.324 3.404 -2.190 1.00 2.40 N ATOM 307 CA ALA A 20 14.661 3.725 -2.675 1.00 53.11 C ATOM 308 C ALA A 20 15.415 2.463 -3.081 1.00 52.40 C ATOM 309 O ALA A 20 16.302 2.507 -3.933 1.00 13.01 O ATOM 310 CB ALA A 20 15.438 4.489 -1.613 1.00 65.45 C ATOM 0 H ALA A 20 13.256 3.299 -1.178 1.00 2.40 H new ATOM 0 HA ALA A 20 14.559 4.355 -3.558 1.00 53.11 H new ATOM 0 HB1 ALA A 20 16.434 4.722 -1.988 1.00 65.45 H new ATOM 0 HB2 ALA A 20 14.914 5.415 -1.374 1.00 65.45 H new ATOM 0 HB3 ALA A 20 15.523 3.878 -0.714 1.00 65.45 H new ATOM 316 N GLU A 21 15.056 1.341 -2.465 1.00 5.21 N ATOM 317 CA GLU A 21 15.702 0.068 -2.762 1.00 73.22 C ATOM 318 C GLU A 21 14.694 -1.077 -2.713 1.00 61.20 C ATOM 319 O GLU A 21 14.628 -1.820 -1.733 1.00 72.31 O ATOM 320 CB GLU A 21 16.839 -0.196 -1.773 1.00 70.23 C ATOM 321 CG GLU A 21 16.425 -0.056 -0.318 1.00 71.40 C ATOM 322 CD GLU A 21 17.612 0.088 0.615 1.00 54.21 C ATOM 323 OE1 GLU A 21 17.820 1.202 1.140 1.00 22.12 O ATOM 324 OE2 GLU A 21 18.331 -0.911 0.819 1.00 24.44 O ATOM 0 H GLU A 21 14.322 1.288 -1.758 1.00 5.21 H new ATOM 0 HA GLU A 21 16.114 0.125 -3.770 1.00 73.22 H new ATOM 0 HB2 GLU A 21 17.225 -1.202 -1.937 1.00 70.23 H new ATOM 0 HB3 GLU A 21 17.656 0.496 -1.978 1.00 70.23 H new ATOM 0 HG2 GLU A 21 15.776 0.813 -0.211 1.00 71.40 H new ATOM 0 HG3 GLU A 21 15.841 -0.928 -0.025 1.00 71.40 H new ATOM 331 N THR A 22 13.910 -1.214 -3.778 1.00 14.33 N ATOM 332 CA THR A 22 12.904 -2.266 -3.856 1.00 41.34 C ATOM 333 C THR A 22 13.546 -3.619 -4.139 1.00 73.34 C ATOM 334 O THR A 22 13.102 -4.647 -3.627 1.00 61.23 O ATOM 335 CB THR A 22 11.862 -1.966 -4.950 1.00 14.21 C ATOM 336 OG1 THR A 22 10.715 -2.807 -4.778 1.00 3.42 O ATOM 337 CG2 THR A 22 12.452 -2.182 -6.335 1.00 24.51 C ATOM 0 H THR A 22 13.953 -0.609 -4.598 1.00 14.33 H new ATOM 0 HA THR A 22 12.404 -2.299 -2.888 1.00 41.34 H new ATOM 0 HB THR A 22 11.564 -0.922 -4.859 1.00 14.21 H new ATOM 0 HG1 THR A 22 10.999 -3.745 -4.746 1.00 3.42 H new ATOM 0 HG21 THR A 22 11.697 -1.964 -7.090 1.00 24.51 H new ATOM 0 HG22 THR A 22 13.306 -1.519 -6.474 1.00 24.51 H new ATOM 0 HG23 THR A 22 12.776 -3.218 -6.435 1.00 24.51 H new ATOM 345 N VAL A 23 14.593 -3.613 -4.958 1.00 21.02 N ATOM 346 CA VAL A 23 15.297 -4.841 -5.308 1.00 4.24 C ATOM 347 C VAL A 23 16.187 -5.310 -4.162 1.00 14.24 C ATOM 348 O VAL A 23 16.087 -6.451 -3.712 1.00 13.11 O ATOM 349 CB VAL A 23 16.161 -4.653 -6.569 1.00 51.40 C ATOM 350 CG1 VAL A 23 16.977 -5.905 -6.850 1.00 31.35 C ATOM 351 CG2 VAL A 23 15.288 -4.296 -7.763 1.00 65.21 C ATOM 0 H VAL A 23 14.972 -2.771 -5.392 1.00 21.02 H new ATOM 0 HA VAL A 23 14.536 -5.596 -5.507 1.00 4.24 H new ATOM 0 HB VAL A 23 16.854 -3.830 -6.394 1.00 51.40 H new ATOM 0 HG11 VAL A 23 17.581 -5.753 -7.745 1.00 31.35 H new ATOM 0 HG12 VAL A 23 17.630 -6.111 -6.002 1.00 31.35 H new ATOM 0 HG13 VAL A 23 16.306 -6.750 -7.005 1.00 31.35 H new ATOM 0 HG21 VAL A 23 15.914 -4.167 -8.646 1.00 65.21 H new ATOM 0 HG22 VAL A 23 14.570 -5.097 -7.941 1.00 65.21 H new ATOM 0 HG23 VAL A 23 14.753 -3.368 -7.558 1.00 65.21 H new ATOM 361 N ALA A 24 17.056 -4.421 -3.693 1.00 4.01 N ATOM 362 CA ALA A 24 17.962 -4.743 -2.597 1.00 41.11 C ATOM 363 C ALA A 24 17.195 -5.261 -1.385 1.00 63.43 C ATOM 364 O ALA A 24 17.547 -6.292 -0.811 1.00 11.24 O ATOM 365 CB ALA A 24 18.788 -3.522 -2.219 1.00 33.11 C ATOM 0 H ALA A 24 17.152 -3.472 -4.055 1.00 4.01 H new ATOM 0 HA ALA A 24 18.634 -5.533 -2.934 1.00 41.11 H new ATOM 0 HB1 ALA A 24 19.460 -3.777 -1.399 1.00 33.11 H new ATOM 0 HB2 ALA A 24 19.372 -3.197 -3.080 1.00 33.11 H new ATOM 0 HB3 ALA A 24 18.124 -2.716 -1.906 1.00 33.11 H new ATOM 371 N ASP A 25 16.147 -4.541 -1.002 1.00 2.11 N ATOM 372 CA ASP A 25 15.330 -4.929 0.142 1.00 0.31 C ATOM 373 C ASP A 25 14.780 -6.340 -0.037 1.00 34.11 C ATOM 374 O ASP A 25 14.742 -7.128 0.909 1.00 13.14 O ATOM 375 CB ASP A 25 14.179 -3.939 0.333 1.00 62.43 C ATOM 376 CG ASP A 25 13.046 -4.521 1.155 1.00 60.01 C ATOM 377 OD1 ASP A 25 12.955 -4.193 2.357 1.00 42.34 O ATOM 378 OD2 ASP A 25 12.249 -5.304 0.596 1.00 5.35 O ATOM 0 H ASP A 25 15.843 -3.685 -1.467 1.00 2.11 H new ATOM 0 HA ASP A 25 15.962 -4.915 1.030 1.00 0.31 H new ATOM 0 HB2 ASP A 25 14.554 -3.040 0.822 1.00 62.43 H new ATOM 0 HB3 ASP A 25 13.798 -3.636 -0.642 1.00 62.43 H new ATOM 383 N LEU A 26 14.353 -6.653 -1.255 1.00 52.03 N ATOM 384 CA LEU A 26 13.803 -7.970 -1.559 1.00 11.32 C ATOM 385 C LEU A 26 14.903 -9.026 -1.584 1.00 74.43 C ATOM 386 O LEU A 26 14.692 -10.167 -1.172 1.00 63.30 O ATOM 387 CB LEU A 26 13.075 -7.942 -2.904 1.00 32.43 C ATOM 388 CG LEU A 26 11.559 -8.138 -2.851 1.00 1.45 C ATOM 389 CD1 LEU A 26 10.934 -7.830 -4.202 1.00 74.32 C ATOM 390 CD2 LEU A 26 11.219 -9.555 -2.413 1.00 50.12 C ATOM 0 H LEU A 26 14.377 -6.013 -2.049 1.00 52.03 H new ATOM 0 HA LEU A 26 13.093 -8.231 -0.774 1.00 11.32 H new ATOM 0 HB2 LEU A 26 13.281 -6.986 -3.386 1.00 32.43 H new ATOM 0 HB3 LEU A 26 13.500 -8.718 -3.541 1.00 32.43 H new ATOM 0 HG LEU A 26 11.147 -7.445 -2.117 1.00 1.45 H new ATOM 0 HD11 LEU A 26 9.855 -7.975 -4.145 1.00 74.32 H new ATOM 0 HD12 LEU A 26 11.148 -6.796 -4.475 1.00 74.32 H new ATOM 0 HD13 LEU A 26 11.351 -8.498 -4.956 1.00 74.32 H new ATOM 0 HD21 LEU A 26 10.136 -9.676 -2.381 1.00 50.12 H new ATOM 0 HD22 LEU A 26 11.643 -10.266 -3.122 1.00 50.12 H new ATOM 0 HD23 LEU A 26 11.634 -9.739 -1.422 1.00 50.12 H new ATOM 402 N LYS A 27 16.077 -8.639 -2.069 1.00 43.33 N ATOM 403 CA LYS A 27 17.213 -9.550 -2.146 1.00 34.52 C ATOM 404 C LYS A 27 17.663 -9.977 -0.752 1.00 74.13 C ATOM 405 O LYS A 27 17.868 -11.163 -0.493 1.00 52.50 O ATOM 406 CB LYS A 27 18.375 -8.889 -2.889 1.00 4.45 C ATOM 407 CG LYS A 27 18.060 -8.552 -4.336 1.00 10.13 C ATOM 408 CD LYS A 27 18.723 -9.528 -5.293 1.00 32.54 C ATOM 409 CE LYS A 27 19.074 -8.862 -6.614 1.00 60.31 C ATOM 410 NZ LYS A 27 19.219 -9.855 -7.714 1.00 64.34 N ATOM 0 H LYS A 27 16.267 -7.699 -2.415 1.00 43.33 H new ATOM 0 HA LYS A 27 16.898 -10.438 -2.695 1.00 34.52 H new ATOM 0 HB2 LYS A 27 18.657 -7.976 -2.365 1.00 4.45 H new ATOM 0 HB3 LYS A 27 19.239 -9.553 -2.859 1.00 4.45 H new ATOM 0 HG2 LYS A 27 16.981 -8.569 -4.488 1.00 10.13 H new ATOM 0 HG3 LYS A 27 18.397 -7.539 -4.556 1.00 10.13 H new ATOM 0 HD2 LYS A 27 19.627 -9.930 -4.836 1.00 32.54 H new ATOM 0 HD3 LYS A 27 18.056 -10.371 -5.475 1.00 32.54 H new ATOM 0 HE2 LYS A 27 18.299 -8.142 -6.875 1.00 60.31 H new ATOM 0 HE3 LYS A 27 20.004 -8.304 -6.504 1.00 60.31 H new ATOM 0 HZ1 LYS A 27 19.895 -9.497 -8.418 1.00 64.34 H new ATOM 0 HZ2 LYS A 27 19.568 -10.755 -7.326 1.00 64.34 H new ATOM 0 HZ3 LYS A 27 18.296 -10.008 -8.167 1.00 64.34 H new ATOM 424 N GLN A 28 17.812 -9.004 0.140 1.00 4.32 N ATOM 425 CA GLN A 28 18.237 -9.280 1.507 1.00 24.23 C ATOM 426 C GLN A 28 17.176 -10.079 2.256 1.00 14.44 C ATOM 427 O GLN A 28 17.487 -10.838 3.175 1.00 52.44 O ATOM 428 CB GLN A 28 18.527 -7.973 2.248 1.00 72.40 C ATOM 429 CG GLN A 28 19.134 -8.177 3.627 1.00 60.14 C ATOM 430 CD GLN A 28 20.599 -8.563 3.568 1.00 50.31 C ATOM 431 OE1 GLN A 28 21.298 -8.246 2.605 1.00 1.00 O ATOM 432 NE2 GLN A 28 21.072 -9.250 4.601 1.00 63.34 N ATOM 0 H GLN A 28 17.645 -8.018 -0.059 1.00 4.32 H new ATOM 0 HA GLN A 28 19.150 -9.874 1.464 1.00 24.23 H new ATOM 0 HB2 GLN A 28 19.206 -7.367 1.647 1.00 72.40 H new ATOM 0 HB3 GLN A 28 17.600 -7.408 2.348 1.00 72.40 H new ATOM 0 HG2 GLN A 28 19.027 -7.260 4.206 1.00 60.14 H new ATOM 0 HG3 GLN A 28 18.578 -8.953 4.153 1.00 60.14 H new ATOM 0 HE21 GLN A 28 20.457 -9.491 5.378 1.00 63.34 H new ATOM 0 HE22 GLN A 28 22.051 -9.537 4.618 1.00 63.34 H new ATOM 441 N LYS A 29 15.920 -9.902 1.859 1.00 20.32 N ATOM 442 CA LYS A 29 14.811 -10.606 2.492 1.00 71.45 C ATOM 443 C LYS A 29 14.902 -12.107 2.235 1.00 70.24 C ATOM 444 O LYS A 29 14.810 -12.912 3.162 1.00 10.34 O ATOM 445 CB LYS A 29 13.476 -10.069 1.971 1.00 33.31 C ATOM 446 CG LYS A 29 12.326 -10.249 2.947 1.00 11.42 C ATOM 447 CD LYS A 29 11.677 -11.615 2.800 1.00 40.44 C ATOM 448 CE LYS A 29 10.703 -11.646 1.632 1.00 12.30 C ATOM 449 NZ LYS A 29 9.520 -10.774 1.873 1.00 33.14 N ATOM 0 H LYS A 29 15.645 -9.277 1.102 1.00 20.32 H new ATOM 0 HA LYS A 29 14.870 -10.435 3.567 1.00 71.45 H new ATOM 0 HB2 LYS A 29 13.585 -9.009 1.742 1.00 33.31 H new ATOM 0 HB3 LYS A 29 13.231 -10.573 1.036 1.00 33.31 H new ATOM 0 HG2 LYS A 29 12.691 -10.127 3.967 1.00 11.42 H new ATOM 0 HG3 LYS A 29 11.581 -9.471 2.780 1.00 11.42 H new ATOM 0 HD2 LYS A 29 12.448 -12.371 2.653 1.00 40.44 H new ATOM 0 HD3 LYS A 29 11.152 -11.870 3.720 1.00 40.44 H new ATOM 0 HE2 LYS A 29 11.214 -11.323 0.725 1.00 12.30 H new ATOM 0 HE3 LYS A 29 10.371 -12.670 1.463 1.00 12.30 H new ATOM 0 HZ1 LYS A 29 8.730 -11.087 1.273 1.00 33.14 H new ATOM 0 HZ2 LYS A 29 9.241 -10.836 2.873 1.00 33.14 H new ATOM 0 HZ3 LYS A 29 9.762 -9.789 1.642 1.00 33.14 H new ATOM 463 N ILE A 30 15.084 -12.477 0.971 1.00 4.44 N ATOM 464 CA ILE A 30 15.191 -13.881 0.594 1.00 14.43 C ATOM 465 C ILE A 30 16.546 -14.456 0.992 1.00 51.54 C ATOM 466 O ILE A 30 16.653 -15.628 1.349 1.00 65.22 O ATOM 467 CB ILE A 30 14.988 -14.074 -0.920 1.00 55.31 C ATOM 468 CG1 ILE A 30 13.620 -13.536 -1.346 1.00 41.51 C ATOM 469 CG2 ILE A 30 15.123 -15.543 -1.289 1.00 60.35 C ATOM 470 CD1 ILE A 30 13.467 -13.393 -2.844 1.00 73.32 C ATOM 0 H ILE A 30 15.160 -11.824 0.191 1.00 4.44 H new ATOM 0 HA ILE A 30 14.403 -14.412 1.128 1.00 14.43 H new ATOM 0 HB ILE A 30 15.759 -13.514 -1.449 1.00 55.31 H new ATOM 0 HG12 ILE A 30 12.844 -14.203 -0.972 1.00 41.51 H new ATOM 0 HG13 ILE A 30 13.459 -12.565 -0.878 1.00 41.51 H new ATOM 0 HG21 ILE A 30 14.977 -15.663 -2.362 1.00 60.35 H new ATOM 0 HG22 ILE A 30 16.117 -15.897 -1.016 1.00 60.35 H new ATOM 0 HG23 ILE A 30 14.372 -16.123 -0.753 1.00 60.35 H new ATOM 0 HD11 ILE A 30 12.474 -13.007 -3.073 1.00 73.32 H new ATOM 0 HD12 ILE A 30 14.221 -12.703 -3.222 1.00 73.32 H new ATOM 0 HD13 ILE A 30 13.596 -14.366 -3.317 1.00 73.32 H new ATOM 482 N ALA A 31 17.578 -13.621 0.928 1.00 1.23 N ATOM 483 CA ALA A 31 18.926 -14.045 1.285 1.00 3.31 C ATOM 484 C ALA A 31 18.959 -14.653 2.683 1.00 13.11 C ATOM 485 O ALA A 31 19.489 -15.746 2.883 1.00 43.32 O ATOM 486 CB ALA A 31 19.890 -12.870 1.196 1.00 73.42 C ATOM 0 H ALA A 31 17.506 -12.647 0.632 1.00 1.23 H new ATOM 0 HA ALA A 31 19.238 -14.812 0.576 1.00 3.31 H new ATOM 0 HB1 ALA A 31 20.893 -13.201 1.465 1.00 73.42 H new ATOM 0 HB2 ALA A 31 19.897 -12.482 0.178 1.00 73.42 H new ATOM 0 HB3 ALA A 31 19.571 -12.085 1.881 1.00 73.42 H new ATOM 492 N ASP A 32 18.389 -13.938 3.647 1.00 32.52 N ATOM 493 CA ASP A 32 18.352 -14.408 5.027 1.00 22.32 C ATOM 494 C ASP A 32 17.301 -15.500 5.202 1.00 63.32 C ATOM 495 O ASP A 32 17.396 -16.329 6.107 1.00 34.04 O ATOM 496 CB ASP A 32 18.060 -13.245 5.977 1.00 71.52 C ATOM 497 CG ASP A 32 17.846 -13.705 7.406 1.00 54.44 C ATOM 498 OD1 ASP A 32 18.849 -13.976 8.099 1.00 74.33 O ATOM 499 OD2 ASP A 32 16.675 -13.791 7.831 1.00 20.52 O ATOM 0 H ASP A 32 17.946 -13.031 3.498 1.00 32.52 H new ATOM 0 HA ASP A 32 19.329 -14.827 5.268 1.00 22.32 H new ATOM 0 HB2 ASP A 32 18.889 -12.538 5.946 1.00 71.52 H new ATOM 0 HB3 ASP A 32 17.173 -12.712 5.633 1.00 71.52 H new ATOM 504 N LYS A 33 16.299 -15.495 4.329 1.00 1.44 N ATOM 505 CA LYS A 33 15.229 -16.484 4.386 1.00 45.14 C ATOM 506 C LYS A 33 15.751 -17.871 4.023 1.00 3.40 C ATOM 507 O LYS A 33 15.455 -18.852 4.704 1.00 43.13 O ATOM 508 CB LYS A 33 14.093 -16.091 3.439 1.00 63.24 C ATOM 509 CG LYS A 33 12.932 -17.070 3.443 1.00 62.54 C ATOM 510 CD LYS A 33 12.360 -17.252 4.839 1.00 44.44 C ATOM 511 CE LYS A 33 11.041 -18.007 4.807 1.00 55.24 C ATOM 512 NZ LYS A 33 11.207 -19.392 4.287 1.00 73.41 N ATOM 0 H LYS A 33 16.206 -14.816 3.573 1.00 1.44 H new ATOM 0 HA LYS A 33 14.849 -16.514 5.407 1.00 45.14 H new ATOM 0 HB2 LYS A 33 13.725 -15.103 3.716 1.00 63.24 H new ATOM 0 HB3 LYS A 33 14.487 -16.012 2.426 1.00 63.24 H new ATOM 0 HG2 LYS A 33 12.151 -16.712 2.773 1.00 62.54 H new ATOM 0 HG3 LYS A 33 13.266 -18.033 3.057 1.00 62.54 H new ATOM 0 HD2 LYS A 33 13.075 -17.793 5.459 1.00 44.44 H new ATOM 0 HD3 LYS A 33 12.211 -16.277 5.302 1.00 44.44 H new ATOM 0 HE2 LYS A 33 10.620 -18.044 5.812 1.00 55.24 H new ATOM 0 HE3 LYS A 33 10.329 -17.468 4.182 1.00 55.24 H new ATOM 0 HZ1 LYS A 33 10.299 -19.896 4.344 1.00 73.41 H new ATOM 0 HZ2 LYS A 33 11.521 -19.356 3.296 1.00 73.41 H new ATOM 0 HZ3 LYS A 33 11.918 -19.894 4.857 1.00 73.41 H new ATOM 526 N GLU A 34 16.530 -17.943 2.948 1.00 51.41 N ATOM 527 CA GLU A 34 17.093 -19.210 2.497 1.00 51.22 C ATOM 528 C GLU A 34 18.580 -19.294 2.829 1.00 51.50 C ATOM 529 O GLU A 34 19.283 -20.188 2.360 1.00 15.10 O ATOM 530 CB GLU A 34 16.885 -19.378 0.990 1.00 4.12 C ATOM 531 CG GLU A 34 15.534 -19.968 0.624 1.00 52.40 C ATOM 532 CD GLU A 34 15.457 -21.459 0.887 1.00 64.03 C ATOM 533 OE1 GLU A 34 16.418 -22.173 0.531 1.00 22.43 O ATOM 534 OE2 GLU A 34 14.438 -21.912 1.447 1.00 14.11 O ATOM 0 H GLU A 34 16.785 -17.139 2.374 1.00 51.41 H new ATOM 0 HA GLU A 34 16.576 -20.015 3.020 1.00 51.22 H new ATOM 0 HB2 GLU A 34 16.991 -18.407 0.507 1.00 4.12 H new ATOM 0 HB3 GLU A 34 17.672 -20.019 0.592 1.00 4.12 H new ATOM 0 HG2 GLU A 34 14.755 -19.462 1.194 1.00 52.40 H new ATOM 0 HG3 GLU A 34 15.333 -19.778 -0.430 1.00 52.40 H new ATOM 541 N GLY A 35 19.053 -18.353 3.642 1.00 72.33 N ATOM 542 CA GLY A 35 20.453 -18.338 4.023 1.00 40.34 C ATOM 543 C GLY A 35 21.380 -18.399 2.825 1.00 3.51 C ATOM 544 O GLY A 35 22.483 -18.940 2.911 1.00 75.20 O ATOM 0 H GLY A 35 18.492 -17.602 4.043 1.00 72.33 H new ATOM 0 HA2 GLY A 35 20.661 -17.433 4.594 1.00 40.34 H new ATOM 0 HA3 GLY A 35 20.657 -19.184 4.680 1.00 40.34 H new ATOM 548 N VAL A 36 20.933 -17.843 1.703 1.00 2.34 N ATOM 549 CA VAL A 36 21.730 -17.836 0.483 1.00 64.43 C ATOM 550 C VAL A 36 22.112 -16.416 0.083 1.00 54.45 C ATOM 551 O VAL A 36 21.446 -15.444 0.440 1.00 11.42 O ATOM 552 CB VAL A 36 20.976 -18.502 -0.684 1.00 10.32 C ATOM 553 CG1 VAL A 36 20.999 -20.016 -0.540 1.00 53.23 C ATOM 554 CG2 VAL A 36 19.547 -17.986 -0.756 1.00 74.22 C ATOM 0 H VAL A 36 20.023 -17.392 1.614 1.00 2.34 H new ATOM 0 HA VAL A 36 22.635 -18.406 0.693 1.00 64.43 H new ATOM 0 HB VAL A 36 21.479 -18.243 -1.615 1.00 10.32 H new ATOM 0 HG11 VAL A 36 20.462 -20.469 -1.373 1.00 53.23 H new ATOM 0 HG12 VAL A 36 22.031 -20.366 -0.541 1.00 53.23 H new ATOM 0 HG13 VAL A 36 20.521 -20.300 0.397 1.00 53.23 H new ATOM 0 HG21 VAL A 36 19.028 -18.466 -1.586 1.00 74.22 H new ATOM 0 HG22 VAL A 36 19.030 -18.214 0.176 1.00 74.22 H new ATOM 0 HG23 VAL A 36 19.557 -16.907 -0.910 1.00 74.22 H new ATOM 564 N PRO A 37 23.209 -16.289 -0.678 1.00 71.44 N ATOM 565 CA PRO A 37 23.704 -14.991 -1.145 1.00 55.12 C ATOM 566 C PRO A 37 22.787 -14.363 -2.190 1.00 64.22 C ATOM 567 O PRO A 37 22.164 -15.066 -2.986 1.00 42.44 O ATOM 568 CB PRO A 37 25.063 -15.330 -1.761 1.00 5.33 C ATOM 569 CG PRO A 37 24.953 -16.761 -2.158 1.00 63.13 C ATOM 570 CD PRO A 37 24.051 -17.405 -1.142 1.00 50.12 C ATOM 0 HA PRO A 37 23.757 -14.261 -0.338 1.00 55.12 H new ATOM 0 HB2 PRO A 37 25.277 -14.696 -2.621 1.00 5.33 H new ATOM 0 HB3 PRO A 37 25.871 -15.179 -1.045 1.00 5.33 H new ATOM 0 HG2 PRO A 37 24.540 -16.857 -3.162 1.00 63.13 H new ATOM 0 HG3 PRO A 37 25.932 -17.239 -2.169 1.00 63.13 H new ATOM 0 HD2 PRO A 37 23.454 -18.203 -1.583 1.00 50.12 H new ATOM 0 HD3 PRO A 37 24.619 -17.847 -0.324 1.00 50.12 H new ATOM 578 N VAL A 38 22.710 -13.036 -2.183 1.00 24.24 N ATOM 579 CA VAL A 38 21.871 -12.314 -3.131 1.00 43.41 C ATOM 580 C VAL A 38 22.398 -12.461 -4.554 1.00 44.30 C ATOM 581 O VAL A 38 21.662 -12.273 -5.522 1.00 75.34 O ATOM 582 CB VAL A 38 21.787 -10.817 -2.779 1.00 10.52 C ATOM 583 CG1 VAL A 38 21.186 -10.627 -1.395 1.00 14.44 C ATOM 584 CG2 VAL A 38 23.162 -10.171 -2.865 1.00 32.10 C ATOM 0 H VAL A 38 23.219 -12.439 -1.531 1.00 24.24 H new ATOM 0 HA VAL A 38 20.874 -12.751 -3.069 1.00 43.41 H new ATOM 0 HB VAL A 38 21.135 -10.328 -3.503 1.00 10.52 H new ATOM 0 HG11 VAL A 38 21.135 -9.563 -1.164 1.00 14.44 H new ATOM 0 HG12 VAL A 38 20.183 -11.052 -1.373 1.00 14.44 H new ATOM 0 HG13 VAL A 38 21.810 -11.129 -0.655 1.00 14.44 H new ATOM 0 HG21 VAL A 38 23.084 -9.113 -2.613 1.00 32.10 H new ATOM 0 HG22 VAL A 38 23.839 -10.661 -2.165 1.00 32.10 H new ATOM 0 HG23 VAL A 38 23.550 -10.275 -3.878 1.00 32.10 H new ATOM 594 N ASP A 39 23.678 -12.798 -4.673 1.00 52.31 N ATOM 595 CA ASP A 39 24.304 -12.972 -5.978 1.00 43.04 C ATOM 596 C ASP A 39 23.768 -14.218 -6.676 1.00 62.05 C ATOM 597 O ASP A 39 23.970 -14.403 -7.876 1.00 74.13 O ATOM 598 CB ASP A 39 25.823 -13.069 -5.830 1.00 24.21 C ATOM 599 CG ASP A 39 26.290 -14.488 -5.570 1.00 61.01 C ATOM 600 OD1 ASP A 39 25.602 -15.211 -4.819 1.00 62.11 O ATOM 601 OD2 ASP A 39 27.343 -14.876 -6.118 1.00 53.45 O ATOM 0 H ASP A 39 24.302 -12.956 -3.882 1.00 52.31 H new ATOM 0 HA ASP A 39 24.061 -12.102 -6.589 1.00 43.04 H new ATOM 0 HB2 ASP A 39 26.298 -12.694 -6.736 1.00 24.21 H new ATOM 0 HB3 ASP A 39 26.147 -12.427 -5.011 1.00 24.21 H new ATOM 606 N GLN A 40 23.086 -15.069 -5.916 1.00 45.23 N ATOM 607 CA GLN A 40 22.523 -16.298 -6.462 1.00 65.03 C ATOM 608 C GLN A 40 21.103 -16.068 -6.969 1.00 23.44 C ATOM 609 O GLN A 40 20.573 -16.868 -7.739 1.00 34.33 O ATOM 610 CB GLN A 40 22.528 -17.401 -5.402 1.00 54.22 C ATOM 611 CG GLN A 40 22.335 -18.796 -5.975 1.00 4.23 C ATOM 612 CD GLN A 40 23.436 -19.187 -6.941 1.00 25.15 C ATOM 613 OE1 GLN A 40 23.170 -19.587 -8.074 1.00 63.23 O ATOM 614 NE2 GLN A 40 24.682 -19.073 -6.496 1.00 25.32 N ATOM 0 H GLN A 40 22.910 -14.930 -4.921 1.00 45.23 H new ATOM 0 HA GLN A 40 23.143 -16.610 -7.303 1.00 65.03 H new ATOM 0 HB2 GLN A 40 23.473 -17.368 -4.859 1.00 54.22 H new ATOM 0 HB3 GLN A 40 21.737 -17.202 -4.678 1.00 54.22 H new ATOM 0 HG2 GLN A 40 22.299 -19.518 -5.159 1.00 4.23 H new ATOM 0 HG3 GLN A 40 21.374 -18.845 -6.486 1.00 4.23 H new ATOM 0 HE21 GLN A 40 24.857 -18.737 -5.549 1.00 25.32 H new ATOM 0 HE22 GLN A 40 25.464 -19.322 -7.101 1.00 25.32 H new ATOM 623 N GLN A 41 20.494 -14.971 -6.530 1.00 62.42 N ATOM 624 CA GLN A 41 19.135 -14.638 -6.939 1.00 32.12 C ATOM 625 C GLN A 41 19.136 -13.505 -7.959 1.00 55.42 C ATOM 626 O GLN A 41 19.948 -12.583 -7.877 1.00 70.34 O ATOM 627 CB GLN A 41 18.296 -14.244 -5.722 1.00 1.12 C ATOM 628 CG GLN A 41 18.707 -12.917 -5.104 1.00 30.34 C ATOM 629 CD GLN A 41 17.734 -12.442 -4.042 1.00 44.13 C ATOM 630 OE1 GLN A 41 16.529 -12.079 -4.464 1.00 71.32 O flip ATOM 631 NE2 GLN A 41 18.063 -12.401 -2.856 1.00 12.42 N flip ATOM 0 H GLN A 41 20.920 -14.299 -5.892 1.00 62.42 H new ATOM 0 HA GLN A 41 18.696 -15.520 -7.404 1.00 32.12 H new ATOM 0 HB2 GLN A 41 17.248 -14.189 -6.016 1.00 1.12 H new ATOM 0 HB3 GLN A 41 18.375 -15.027 -4.968 1.00 1.12 H new ATOM 0 HG2 GLN A 41 19.699 -13.017 -4.664 1.00 30.34 H new ATOM 0 HG3 GLN A 41 18.781 -12.163 -5.888 1.00 30.34 H new ATOM 0 HE21 GLN A 41 19.000 -12.690 -2.577 1.00 12.42 H new ATOM 0 HE22 GLN A 41 17.398 -12.078 -2.153 1.00 12.42 H new ATOM 640 N ARG A 42 18.220 -13.579 -8.920 1.00 63.40 N ATOM 641 CA ARG A 42 18.117 -12.560 -9.957 1.00 72.45 C ATOM 642 C ARG A 42 16.665 -12.138 -10.162 1.00 32.13 C ATOM 643 O ARG A 42 15.795 -12.971 -10.418 1.00 34.52 O ATOM 644 CB ARG A 42 18.697 -13.081 -11.273 1.00 65.25 C ATOM 645 CG ARG A 42 18.679 -12.056 -12.396 1.00 35.15 C ATOM 646 CD ARG A 42 19.455 -12.544 -13.609 1.00 3.54 C ATOM 647 NE ARG A 42 19.100 -13.913 -13.972 1.00 1.30 N ATOM 648 CZ ARG A 42 19.821 -14.665 -14.797 1.00 13.44 C ATOM 649 NH1 ARG A 42 20.930 -14.183 -15.340 1.00 11.21 N ATOM 650 NH2 ARG A 42 19.432 -15.902 -15.079 1.00 2.33 N ATOM 0 H ARG A 42 17.539 -14.334 -9.001 1.00 63.40 H new ATOM 0 HA ARG A 42 18.689 -11.690 -9.634 1.00 72.45 H new ATOM 0 HB2 ARG A 42 19.724 -13.405 -11.104 1.00 65.25 H new ATOM 0 HB3 ARG A 42 18.133 -13.960 -11.586 1.00 65.25 H new ATOM 0 HG2 ARG A 42 17.648 -11.847 -12.682 1.00 35.15 H new ATOM 0 HG3 ARG A 42 19.108 -11.119 -12.041 1.00 35.15 H new ATOM 0 HD2 ARG A 42 19.260 -11.883 -14.454 1.00 3.54 H new ATOM 0 HD3 ARG A 42 20.524 -12.490 -13.401 1.00 3.54 H new ATOM 0 HE ARG A 42 18.252 -14.314 -13.570 1.00 1.30 H new ATOM 0 HH11 ARG A 42 21.232 -13.233 -15.125 1.00 11.21 H new ATOM 0 HH12 ARG A 42 21.482 -14.762 -15.973 1.00 11.21 H new ATOM 0 HH21 ARG A 42 18.579 -16.276 -14.662 1.00 2.33 H new ATOM 0 HH22 ARG A 42 19.986 -16.479 -15.712 1.00 2.33 H new ATOM 664 N LEU A 43 16.410 -10.839 -10.046 1.00 61.42 N ATOM 665 CA LEU A 43 15.063 -10.306 -10.218 1.00 3.45 C ATOM 666 C LEU A 43 14.821 -9.893 -11.666 1.00 4.21 C ATOM 667 O LEU A 43 15.627 -9.176 -12.260 1.00 65.31 O ATOM 668 CB LEU A 43 14.846 -9.108 -9.291 1.00 23.11 C ATOM 669 CG LEU A 43 14.249 -9.421 -7.919 1.00 14.23 C ATOM 670 CD1 LEU A 43 14.276 -8.187 -7.031 1.00 13.53 C ATOM 671 CD2 LEU A 43 12.827 -9.945 -8.063 1.00 24.10 C ATOM 0 H LEU A 43 17.118 -10.136 -9.834 1.00 61.42 H new ATOM 0 HA LEU A 43 14.352 -11.091 -9.960 1.00 3.45 H new ATOM 0 HB2 LEU A 43 15.804 -8.610 -9.143 1.00 23.11 H new ATOM 0 HB3 LEU A 43 14.192 -8.397 -9.796 1.00 23.11 H new ATOM 0 HG LEU A 43 14.855 -10.195 -7.449 1.00 14.23 H new ATOM 0 HD11 LEU A 43 13.847 -8.429 -6.059 1.00 13.53 H new ATOM 0 HD12 LEU A 43 15.306 -7.855 -6.901 1.00 13.53 H new ATOM 0 HD13 LEU A 43 13.694 -7.391 -7.496 1.00 13.53 H new ATOM 0 HD21 LEU A 43 12.418 -10.163 -7.076 1.00 24.10 H new ATOM 0 HD22 LEU A 43 12.210 -9.192 -8.554 1.00 24.10 H new ATOM 0 HD23 LEU A 43 12.834 -10.856 -8.662 1.00 24.10 H new ATOM 683 N ILE A 44 13.706 -10.348 -12.227 1.00 1.31 N ATOM 684 CA ILE A 44 13.357 -10.023 -13.604 1.00 51.32 C ATOM 685 C ILE A 44 11.890 -9.621 -13.719 1.00 44.42 C ATOM 686 O ILE A 44 11.025 -10.194 -13.057 1.00 53.44 O ATOM 687 CB ILE A 44 13.628 -11.209 -14.549 1.00 10.34 C ATOM 688 CG1 ILE A 44 15.052 -11.731 -14.351 1.00 23.24 C ATOM 689 CG2 ILE A 44 13.406 -10.795 -15.996 1.00 1.23 C ATOM 690 CD1 ILE A 44 15.365 -12.960 -15.176 1.00 4.32 C ATOM 0 H ILE A 44 13.029 -10.943 -11.749 1.00 1.31 H new ATOM 0 HA ILE A 44 13.986 -9.183 -13.899 1.00 51.32 H new ATOM 0 HB ILE A 44 12.930 -12.012 -14.310 1.00 10.34 H new ATOM 0 HG12 ILE A 44 15.759 -10.942 -14.607 1.00 23.24 H new ATOM 0 HG13 ILE A 44 15.202 -11.963 -13.297 1.00 23.24 H new ATOM 0 HG21 ILE A 44 13.601 -11.644 -16.651 1.00 1.23 H new ATOM 0 HG22 ILE A 44 12.375 -10.466 -16.126 1.00 1.23 H new ATOM 0 HG23 ILE A 44 14.082 -9.978 -16.249 1.00 1.23 H new ATOM 0 HD11 ILE A 44 16.391 -13.275 -14.985 1.00 4.32 H new ATOM 0 HD12 ILE A 44 14.682 -13.765 -14.903 1.00 4.32 H new ATOM 0 HD13 ILE A 44 15.248 -12.727 -16.234 1.00 4.32 H new ATOM 702 N PHE A 45 11.618 -8.633 -14.565 1.00 41.24 N ATOM 703 CA PHE A 45 10.256 -8.154 -14.769 1.00 32.04 C ATOM 704 C PHE A 45 9.887 -8.174 -16.249 1.00 63.42 C ATOM 705 O PHE A 45 10.363 -7.350 -17.029 1.00 55.14 O ATOM 706 CB PHE A 45 10.102 -6.737 -14.213 1.00 4.33 C ATOM 707 CG PHE A 45 8.674 -6.280 -14.121 1.00 25.10 C ATOM 708 CD1 PHE A 45 7.959 -5.965 -15.265 1.00 21.11 C ATOM 709 CD2 PHE A 45 8.048 -6.165 -12.891 1.00 32.35 C ATOM 710 CE1 PHE A 45 6.645 -5.545 -15.184 1.00 52.21 C ATOM 711 CE2 PHE A 45 6.734 -5.746 -12.803 1.00 73.15 C ATOM 712 CZ PHE A 45 6.032 -5.434 -13.951 1.00 73.35 C ATOM 0 H PHE A 45 12.323 -8.148 -15.120 1.00 41.24 H new ATOM 0 HA PHE A 45 9.580 -8.822 -14.235 1.00 32.04 H new ATOM 0 HB2 PHE A 45 10.553 -6.693 -13.222 1.00 4.33 H new ATOM 0 HB3 PHE A 45 10.656 -6.045 -14.847 1.00 4.33 H new ATOM 0 HD1 PHE A 45 8.434 -6.049 -16.231 1.00 21.11 H new ATOM 0 HD2 PHE A 45 8.593 -6.406 -11.990 1.00 32.35 H new ATOM 0 HE1 PHE A 45 6.098 -5.304 -16.083 1.00 52.21 H new ATOM 0 HE2 PHE A 45 6.257 -5.663 -11.838 1.00 73.15 H new ATOM 0 HZ PHE A 45 5.006 -5.104 -13.885 1.00 73.35 H new ATOM 722 N ALA A 46 9.037 -9.123 -16.628 1.00 64.23 N ATOM 723 CA ALA A 46 8.604 -9.251 -18.014 1.00 14.00 C ATOM 724 C ALA A 46 9.798 -9.310 -18.960 1.00 22.10 C ATOM 725 O ALA A 46 9.723 -8.853 -20.100 1.00 20.33 O ATOM 726 CB ALA A 46 7.688 -8.095 -18.389 1.00 33.40 C ATOM 0 H ALA A 46 8.635 -9.814 -15.995 1.00 64.23 H new ATOM 0 HA ALA A 46 8.051 -10.185 -18.111 1.00 14.00 H new ATOM 0 HB1 ALA A 46 7.372 -8.203 -19.427 1.00 33.40 H new ATOM 0 HB2 ALA A 46 6.812 -8.100 -17.740 1.00 33.40 H new ATOM 0 HB3 ALA A 46 8.223 -7.153 -18.269 1.00 33.40 H new ATOM 732 N GLY A 47 10.901 -9.876 -18.479 1.00 1.23 N ATOM 733 CA GLY A 47 12.096 -9.983 -19.295 1.00 24.32 C ATOM 734 C GLY A 47 13.015 -8.787 -19.138 1.00 75.44 C ATOM 735 O GLY A 47 13.891 -8.554 -19.971 1.00 74.24 O ATOM 0 H GLY A 47 10.988 -10.262 -17.539 1.00 1.23 H new ATOM 0 HA2 GLY A 47 12.636 -10.890 -19.025 1.00 24.32 H new ATOM 0 HA3 GLY A 47 11.810 -10.082 -20.342 1.00 24.32 H new ATOM 739 N LYS A 48 12.814 -8.025 -18.069 1.00 31.45 N ATOM 740 CA LYS A 48 13.630 -6.846 -17.805 1.00 31.14 C ATOM 741 C LYS A 48 14.634 -7.118 -16.689 1.00 64.04 C ATOM 742 O LYS A 48 14.258 -7.516 -15.587 1.00 43.23 O ATOM 743 CB LYS A 48 12.741 -5.660 -17.426 1.00 55.43 C ATOM 744 CG LYS A 48 13.327 -4.313 -17.811 1.00 44.51 C ATOM 745 CD LYS A 48 12.242 -3.322 -18.198 1.00 44.40 C ATOM 746 CE LYS A 48 12.784 -2.230 -19.108 1.00 54.14 C ATOM 747 NZ LYS A 48 12.625 -2.579 -20.547 1.00 41.44 N ATOM 0 H LYS A 48 12.092 -8.203 -17.371 1.00 31.45 H new ATOM 0 HA LYS A 48 14.180 -6.605 -18.715 1.00 31.14 H new ATOM 0 HB2 LYS A 48 11.770 -5.776 -17.908 1.00 55.43 H new ATOM 0 HB3 LYS A 48 12.566 -5.677 -16.350 1.00 55.43 H new ATOM 0 HG2 LYS A 48 13.904 -3.914 -16.976 1.00 44.51 H new ATOM 0 HG3 LYS A 48 14.018 -4.441 -18.644 1.00 44.51 H new ATOM 0 HD2 LYS A 48 11.431 -3.847 -18.702 1.00 44.40 H new ATOM 0 HD3 LYS A 48 11.821 -2.872 -17.299 1.00 44.40 H new ATOM 0 HE2 LYS A 48 12.265 -1.294 -18.902 1.00 54.14 H new ATOM 0 HE3 LYS A 48 13.839 -2.064 -18.889 1.00 54.14 H new ATOM 0 HZ1 LYS A 48 13.006 -1.810 -21.135 1.00 41.44 H new ATOM 0 HZ2 LYS A 48 13.141 -3.459 -20.750 1.00 41.44 H new ATOM 0 HZ3 LYS A 48 11.616 -2.712 -20.763 1.00 41.44 H new ATOM 761 N GLN A 49 15.912 -6.899 -16.984 1.00 31.33 N ATOM 762 CA GLN A 49 16.970 -7.120 -16.005 1.00 35.45 C ATOM 763 C GLN A 49 17.173 -5.884 -15.135 1.00 24.21 C ATOM 764 O GLN A 49 17.772 -4.899 -15.568 1.00 63.04 O ATOM 765 CB GLN A 49 18.278 -7.484 -16.709 1.00 33.41 C ATOM 766 CG GLN A 49 18.410 -8.967 -17.019 1.00 12.23 C ATOM 767 CD GLN A 49 17.790 -9.342 -18.350 1.00 63.15 C ATOM 768 OE1 GLN A 49 16.602 -9.117 -18.581 1.00 33.23 O ATOM 769 NE2 GLN A 49 18.595 -9.918 -19.237 1.00 14.54 N ATOM 0 H GLN A 49 16.239 -6.569 -17.892 1.00 31.33 H new ATOM 0 HA GLN A 49 16.669 -7.948 -15.363 1.00 35.45 H new ATOM 0 HB2 GLN A 49 18.350 -6.919 -17.638 1.00 33.41 H new ATOM 0 HB3 GLN A 49 19.116 -7.176 -16.083 1.00 33.41 H new ATOM 0 HG2 GLN A 49 19.465 -9.241 -17.024 1.00 12.23 H new ATOM 0 HG3 GLN A 49 17.935 -9.544 -16.226 1.00 12.23 H new ATOM 0 HE21 GLN A 49 19.574 -10.086 -19.004 1.00 14.54 H new ATOM 0 HE22 GLN A 49 18.234 -10.192 -20.151 1.00 14.54 H new ATOM 778 N LEU A 50 16.672 -5.942 -13.906 1.00 75.23 N ATOM 779 CA LEU A 50 16.798 -4.827 -12.975 1.00 2.33 C ATOM 780 C LEU A 50 17.931 -5.071 -11.983 1.00 64.14 C ATOM 781 O LEU A 50 18.170 -6.204 -11.567 1.00 1.03 O ATOM 782 CB LEU A 50 15.484 -4.614 -12.222 1.00 12.42 C ATOM 783 CG LEU A 50 14.781 -5.878 -11.727 1.00 23.35 C ATOM 784 CD1 LEU A 50 14.037 -5.602 -10.429 1.00 60.34 C ATOM 785 CD2 LEU A 50 13.829 -6.409 -12.788 1.00 34.44 C ATOM 0 H LEU A 50 16.175 -6.750 -13.531 1.00 75.23 H new ATOM 0 HA LEU A 50 17.030 -3.931 -13.550 1.00 2.33 H new ATOM 0 HB2 LEU A 50 15.681 -3.972 -11.363 1.00 12.42 H new ATOM 0 HB3 LEU A 50 14.798 -4.073 -12.874 1.00 12.42 H new ATOM 0 HG LEU A 50 15.537 -6.639 -11.533 1.00 23.35 H new ATOM 0 HD11 LEU A 50 13.543 -6.513 -10.092 1.00 60.34 H new ATOM 0 HD12 LEU A 50 14.743 -5.270 -9.668 1.00 60.34 H new ATOM 0 HD13 LEU A 50 13.291 -4.825 -10.595 1.00 60.34 H new ATOM 0 HD21 LEU A 50 13.337 -7.309 -12.418 1.00 34.44 H new ATOM 0 HD22 LEU A 50 13.078 -5.652 -13.014 1.00 34.44 H new ATOM 0 HD23 LEU A 50 14.389 -6.647 -13.693 1.00 34.44 H new ATOM 797 N GLU A 51 18.625 -4.000 -11.609 1.00 34.30 N ATOM 798 CA GLU A 51 19.732 -4.099 -10.665 1.00 73.52 C ATOM 799 C GLU A 51 19.265 -3.793 -9.245 1.00 1.00 C ATOM 800 O GLU A 51 18.112 -3.420 -9.026 1.00 24.22 O ATOM 801 CB GLU A 51 20.857 -3.141 -11.062 1.00 72.31 C ATOM 802 CG GLU A 51 21.795 -3.707 -12.114 1.00 65.43 C ATOM 803 CD GLU A 51 22.781 -2.678 -12.631 1.00 44.31 C ATOM 804 OE1 GLU A 51 23.140 -1.762 -11.861 1.00 61.01 O ATOM 805 OE2 GLU A 51 23.194 -2.787 -13.804 1.00 70.15 O ATOM 0 H GLU A 51 18.440 -3.055 -11.945 1.00 34.30 H new ATOM 0 HA GLU A 51 20.109 -5.121 -10.692 1.00 73.52 H new ATOM 0 HB2 GLU A 51 20.420 -2.216 -11.437 1.00 72.31 H new ATOM 0 HB3 GLU A 51 21.434 -2.883 -10.174 1.00 72.31 H new ATOM 0 HG2 GLU A 51 22.343 -4.549 -11.691 1.00 65.43 H new ATOM 0 HG3 GLU A 51 21.209 -4.094 -12.948 1.00 65.43 H new ATOM 812 N ASP A 52 20.169 -3.953 -8.284 1.00 75.44 N ATOM 813 CA ASP A 52 19.851 -3.694 -6.885 1.00 11.20 C ATOM 814 C ASP A 52 19.661 -2.200 -6.639 1.00 23.32 C ATOM 815 O ASP A 52 19.117 -1.794 -5.612 1.00 23.41 O ATOM 816 CB ASP A 52 20.958 -4.236 -5.979 1.00 71.15 C ATOM 817 CG ASP A 52 22.191 -3.354 -5.981 1.00 62.43 C ATOM 818 OD1 ASP A 52 22.897 -3.323 -7.011 1.00 61.14 O ATOM 819 OD2 ASP A 52 22.450 -2.695 -4.953 1.00 61.02 O ATOM 0 H ASP A 52 21.127 -4.261 -8.449 1.00 75.44 H new ATOM 0 HA ASP A 52 18.917 -4.205 -6.649 1.00 11.20 H new ATOM 0 HB2 ASP A 52 20.580 -4.324 -4.961 1.00 71.15 H new ATOM 0 HB3 ASP A 52 21.232 -5.239 -6.305 1.00 71.15 H new ATOM 824 N SER A 53 20.115 -1.387 -7.587 1.00 74.15 N ATOM 825 CA SER A 53 19.999 0.062 -7.471 1.00 64.15 C ATOM 826 C SER A 53 18.755 0.568 -8.194 1.00 73.54 C ATOM 827 O SER A 53 18.700 1.717 -8.632 1.00 61.02 O ATOM 828 CB SER A 53 21.246 0.741 -8.042 1.00 52.23 C ATOM 829 OG SER A 53 21.274 2.118 -7.709 1.00 1.12 O ATOM 0 H SER A 53 20.567 -1.707 -8.444 1.00 74.15 H new ATOM 0 HA SER A 53 19.909 0.311 -6.414 1.00 64.15 H new ATOM 0 HB2 SER A 53 22.140 0.252 -7.655 1.00 52.23 H new ATOM 0 HB3 SER A 53 21.263 0.625 -9.126 1.00 52.23 H new ATOM 0 HG SER A 53 20.433 2.539 -7.986 1.00 1.12 H new ATOM 835 N LYS A 54 17.756 -0.300 -8.316 1.00 14.11 N ATOM 836 CA LYS A 54 16.510 0.056 -8.984 1.00 55.21 C ATOM 837 C LYS A 54 15.390 0.269 -7.970 1.00 40.22 C ATOM 838 O LYS A 54 15.566 0.030 -6.775 1.00 62.51 O ATOM 839 CB LYS A 54 16.110 -1.036 -9.979 1.00 21.01 C ATOM 840 CG LYS A 54 17.024 -1.120 -11.189 1.00 72.12 C ATOM 841 CD LYS A 54 16.845 0.078 -12.107 1.00 62.51 C ATOM 842 CE LYS A 54 17.939 0.139 -13.163 1.00 33.14 C ATOM 843 NZ LYS A 54 17.664 -0.782 -14.300 1.00 70.20 N ATOM 0 H LYS A 54 17.785 -1.256 -7.961 1.00 14.11 H new ATOM 0 HA LYS A 54 16.671 0.989 -9.523 1.00 55.21 H new ATOM 0 HB2 LYS A 54 16.108 -1.999 -9.468 1.00 21.01 H new ATOM 0 HB3 LYS A 54 15.090 -0.852 -10.317 1.00 21.01 H new ATOM 0 HG2 LYS A 54 18.061 -1.175 -10.859 1.00 72.12 H new ATOM 0 HG3 LYS A 54 16.816 -2.037 -11.741 1.00 72.12 H new ATOM 0 HD2 LYS A 54 15.871 0.023 -12.593 1.00 62.51 H new ATOM 0 HD3 LYS A 54 16.855 0.995 -11.517 1.00 62.51 H new ATOM 0 HE2 LYS A 54 18.028 1.160 -13.536 1.00 33.14 H new ATOM 0 HE3 LYS A 54 18.896 -0.119 -12.710 1.00 33.14 H new ATOM 0 HZ1 LYS A 54 17.956 -0.331 -15.190 1.00 70.20 H new ATOM 0 HZ2 LYS A 54 18.197 -1.665 -14.168 1.00 70.20 H new ATOM 0 HZ3 LYS A 54 16.646 -0.994 -14.337 1.00 70.20 H new ATOM 857 N THR A 55 14.237 0.720 -8.454 1.00 72.34 N ATOM 858 CA THR A 55 13.089 0.964 -7.591 1.00 14.52 C ATOM 859 C THR A 55 11.780 0.772 -8.348 1.00 71.22 C ATOM 860 O THR A 55 11.760 0.759 -9.579 1.00 2.44 O ATOM 861 CB THR A 55 13.123 2.387 -7.001 1.00 34.12 C ATOM 862 OG1 THR A 55 13.057 3.356 -8.053 1.00 62.43 O ATOM 863 CG2 THR A 55 14.387 2.604 -6.183 1.00 70.41 C ATOM 0 H THR A 55 14.074 0.924 -9.440 1.00 72.34 H new ATOM 0 HA THR A 55 13.145 0.239 -6.779 1.00 14.52 H new ATOM 0 HB THR A 55 12.260 2.505 -6.345 1.00 34.12 H new ATOM 0 HG1 THR A 55 13.078 4.257 -7.669 1.00 62.43 H new ATOM 0 HG21 THR A 55 14.388 3.615 -5.777 1.00 70.41 H new ATOM 0 HG22 THR A 55 14.419 1.884 -5.365 1.00 70.41 H new ATOM 0 HG23 THR A 55 15.261 2.468 -6.820 1.00 70.41 H new ATOM 871 N MET A 56 10.688 0.623 -7.605 1.00 61.43 N ATOM 872 CA MET A 56 9.374 0.433 -8.208 1.00 70.54 C ATOM 873 C MET A 56 8.894 1.714 -8.882 1.00 2.53 C ATOM 874 O MET A 56 8.273 1.674 -9.943 1.00 73.11 O ATOM 875 CB MET A 56 8.362 -0.011 -7.150 1.00 5.44 C ATOM 876 CG MET A 56 8.670 -1.372 -6.548 1.00 31.14 C ATOM 877 SD MET A 56 8.325 -2.728 -7.685 1.00 22.23 S ATOM 878 CE MET A 56 9.919 -3.545 -7.731 1.00 14.05 C ATOM 0 H MET A 56 10.687 0.630 -6.585 1.00 61.43 H new ATOM 0 HA MET A 56 9.460 -0.345 -8.967 1.00 70.54 H new ATOM 0 HB2 MET A 56 8.333 0.732 -6.353 1.00 5.44 H new ATOM 0 HB3 MET A 56 7.369 -0.037 -7.598 1.00 5.44 H new ATOM 0 HG2 MET A 56 9.719 -1.406 -6.255 1.00 31.14 H new ATOM 0 HG3 MET A 56 8.081 -1.505 -5.640 1.00 31.14 H new ATOM 0 HE1 MET A 56 9.927 -4.282 -8.534 1.00 14.05 H new ATOM 0 HE2 MET A 56 10.701 -2.807 -7.908 1.00 14.05 H new ATOM 0 HE3 MET A 56 10.100 -4.044 -6.779 1.00 14.05 H new ATOM 888 N ALA A 57 9.187 2.851 -8.257 1.00 73.34 N ATOM 889 CA ALA A 57 8.786 4.144 -8.798 1.00 25.05 C ATOM 890 C ALA A 57 9.518 4.445 -10.101 1.00 61.43 C ATOM 891 O ALA A 57 9.024 5.195 -10.943 1.00 10.44 O ATOM 892 CB ALA A 57 9.045 5.244 -7.779 1.00 43.30 C ATOM 0 H ALA A 57 9.700 2.902 -7.377 1.00 73.34 H new ATOM 0 HA ALA A 57 7.718 4.105 -9.013 1.00 25.05 H new ATOM 0 HB1 ALA A 57 8.741 6.204 -8.195 1.00 43.30 H new ATOM 0 HB2 ALA A 57 8.472 5.043 -6.874 1.00 43.30 H new ATOM 0 HB3 ALA A 57 10.107 5.273 -7.537 1.00 43.30 H new ATOM 898 N ASP A 58 10.697 3.855 -10.262 1.00 25.22 N ATOM 899 CA ASP A 58 11.497 4.059 -11.464 1.00 4.41 C ATOM 900 C ASP A 58 10.875 3.345 -12.659 1.00 74.22 C ATOM 901 O ASP A 58 10.742 3.920 -13.739 1.00 41.54 O ATOM 902 CB ASP A 58 12.926 3.560 -11.243 1.00 30.22 C ATOM 903 CG ASP A 58 13.823 4.621 -10.635 1.00 72.44 C ATOM 904 OD1 ASP A 58 15.047 4.387 -10.554 1.00 1.24 O ATOM 905 OD2 ASP A 58 13.300 5.685 -10.243 1.00 25.53 O ATOM 0 H ASP A 58 11.120 3.231 -9.575 1.00 25.22 H new ATOM 0 HA ASP A 58 11.523 5.128 -11.676 1.00 4.41 H new ATOM 0 HB2 ASP A 58 12.906 2.688 -10.590 1.00 30.22 H new ATOM 0 HB3 ASP A 58 13.346 3.236 -12.195 1.00 30.22 H new ATOM 910 N TYR A 59 10.495 2.088 -12.458 1.00 64.33 N ATOM 911 CA TYR A 59 9.890 1.293 -13.520 1.00 51.14 C ATOM 912 C TYR A 59 8.386 1.541 -13.597 1.00 25.24 C ATOM 913 O TYR A 59 7.709 1.045 -14.496 1.00 23.42 O ATOM 914 CB TYR A 59 10.162 -0.195 -13.291 1.00 50.43 C ATOM 915 CG TYR A 59 11.513 -0.648 -13.796 1.00 4.22 C ATOM 916 CD1 TYR A 59 11.772 -0.744 -15.158 1.00 13.23 C ATOM 917 CD2 TYR A 59 12.531 -0.981 -12.911 1.00 5.20 C ATOM 918 CE1 TYR A 59 13.005 -1.158 -15.623 1.00 74.04 C ATOM 919 CE2 TYR A 59 13.768 -1.394 -13.368 1.00 32.43 C ATOM 920 CZ TYR A 59 13.999 -1.482 -14.725 1.00 5.34 C ATOM 921 OH TYR A 59 15.229 -1.895 -15.183 1.00 43.35 O ATOM 0 H TYR A 59 10.595 1.598 -11.569 1.00 64.33 H new ATOM 0 HA TYR A 59 10.339 1.596 -14.466 1.00 51.14 H new ATOM 0 HB2 TYR A 59 10.092 -0.409 -12.224 1.00 50.43 H new ATOM 0 HB3 TYR A 59 9.385 -0.778 -13.785 1.00 50.43 H new ATOM 0 HD1 TYR A 59 10.996 -0.491 -15.865 1.00 13.23 H new ATOM 0 HD2 TYR A 59 12.352 -0.916 -11.848 1.00 5.20 H new ATOM 0 HE1 TYR A 59 13.189 -1.227 -16.685 1.00 74.04 H new ATOM 0 HE2 TYR A 59 14.549 -1.646 -12.667 1.00 32.43 H new ATOM 0 HH TYR A 59 15.412 -1.477 -16.050 1.00 43.35 H new ATOM 931 N ASN A 60 7.872 2.313 -12.645 1.00 53.23 N ATOM 932 CA ASN A 60 6.448 2.628 -12.603 1.00 44.13 C ATOM 933 C ASN A 60 5.615 1.360 -12.443 1.00 42.11 C ATOM 934 O ASN A 60 4.494 1.275 -12.945 1.00 31.31 O ATOM 935 CB ASN A 60 6.031 3.369 -13.875 1.00 71.34 C ATOM 936 CG ASN A 60 6.937 4.545 -14.184 1.00 23.15 C ATOM 937 OD1 ASN A 60 6.943 5.544 -13.464 1.00 23.54 O ATOM 938 ND2 ASN A 60 7.709 4.431 -15.258 1.00 51.34 N ATOM 0 H ASN A 60 8.419 2.732 -11.893 1.00 53.23 H new ATOM 0 HA ASN A 60 6.268 3.270 -11.741 1.00 44.13 H new ATOM 0 HB2 ASN A 60 6.041 2.675 -14.716 1.00 71.34 H new ATOM 0 HB3 ASN A 60 5.006 3.723 -13.766 1.00 71.34 H new ATOM 0 HD21 ASN A 60 8.340 5.190 -15.515 1.00 51.34 H new ATOM 0 HD22 ASN A 60 7.671 3.585 -15.826 1.00 51.34 H new ATOM 945 N ILE A 61 6.171 0.379 -11.741 1.00 33.44 N ATOM 946 CA ILE A 61 5.478 -0.884 -11.513 1.00 4.32 C ATOM 947 C ILE A 61 5.040 -1.016 -10.058 1.00 41.42 C ATOM 948 O ILE A 61 5.872 -1.120 -9.157 1.00 15.41 O ATOM 949 CB ILE A 61 6.366 -2.087 -11.881 1.00 22.11 C ATOM 950 CG1 ILE A 61 7.782 -1.889 -11.336 1.00 63.51 C ATOM 951 CG2 ILE A 61 6.396 -2.282 -13.389 1.00 54.25 C ATOM 952 CD1 ILE A 61 8.706 -3.053 -11.619 1.00 22.45 C ATOM 0 H ILE A 61 7.099 0.434 -11.320 1.00 33.44 H new ATOM 0 HA ILE A 61 4.598 -0.882 -12.156 1.00 4.32 H new ATOM 0 HB ILE A 61 5.944 -2.983 -11.427 1.00 22.11 H new ATOM 0 HG12 ILE A 61 8.207 -0.984 -11.771 1.00 63.51 H new ATOM 0 HG13 ILE A 61 7.729 -1.731 -10.259 1.00 63.51 H new ATOM 0 HG21 ILE A 61 7.028 -3.136 -13.633 1.00 54.25 H new ATOM 0 HG22 ILE A 61 5.385 -2.463 -13.753 1.00 54.25 H new ATOM 0 HG23 ILE A 61 6.797 -1.387 -13.864 1.00 54.25 H new ATOM 0 HD11 ILE A 61 9.692 -2.844 -11.204 1.00 22.45 H new ATOM 0 HD12 ILE A 61 8.304 -3.957 -11.161 1.00 22.45 H new ATOM 0 HD13 ILE A 61 8.789 -3.198 -12.696 1.00 22.45 H new ATOM 964 N GLN A 62 3.729 -1.012 -9.838 1.00 64.22 N ATOM 965 CA GLN A 62 3.181 -1.133 -8.493 1.00 12.24 C ATOM 966 C GLN A 62 1.742 -1.636 -8.534 1.00 54.35 C ATOM 967 O GLN A 62 1.212 -1.947 -9.601 1.00 62.35 O ATOM 968 CB GLN A 62 3.242 0.215 -7.772 1.00 31.14 C ATOM 969 CG GLN A 62 4.594 0.506 -7.140 1.00 15.30 C ATOM 970 CD GLN A 62 4.526 1.605 -6.098 1.00 0.22 C ATOM 971 OE1 GLN A 62 3.876 2.631 -6.302 1.00 32.24 O ATOM 972 NE2 GLN A 62 5.199 1.396 -4.972 1.00 42.34 N ATOM 0 H GLN A 62 3.028 -0.926 -10.574 1.00 64.22 H new ATOM 0 HA GLN A 62 3.784 -1.858 -7.946 1.00 12.24 H new ATOM 0 HB2 GLN A 62 3.003 1.008 -8.481 1.00 31.14 H new ATOM 0 HB3 GLN A 62 2.475 0.238 -6.997 1.00 31.14 H new ATOM 0 HG2 GLN A 62 4.979 -0.404 -6.679 1.00 15.30 H new ATOM 0 HG3 GLN A 62 5.301 0.792 -7.919 1.00 15.30 H new ATOM 0 HE21 GLN A 62 5.725 0.531 -4.845 1.00 42.34 H new ATOM 0 HE22 GLN A 62 5.190 2.100 -4.234 1.00 42.34 H new ATOM 981 N LYS A 63 1.113 -1.713 -7.366 1.00 51.05 N ATOM 982 CA LYS A 63 -0.266 -2.177 -7.268 1.00 62.24 C ATOM 983 C LYS A 63 -0.395 -3.610 -7.776 1.00 1.14 C ATOM 984 O LYS A 63 -0.846 -3.842 -8.897 1.00 20.14 O ATOM 985 CB LYS A 63 -1.193 -1.257 -8.065 1.00 73.24 C ATOM 986 CG LYS A 63 -1.146 0.193 -7.615 1.00 21.40 C ATOM 987 CD LYS A 63 -0.602 1.098 -8.707 1.00 51.32 C ATOM 988 CE LYS A 63 -1.307 2.446 -8.715 1.00 45.44 C ATOM 989 NZ LYS A 63 -2.375 2.507 -9.750 1.00 53.45 N ATOM 0 H LYS A 63 1.537 -1.460 -6.473 1.00 51.05 H new ATOM 0 HA LYS A 63 -0.557 -2.155 -6.218 1.00 62.24 H new ATOM 0 HB2 LYS A 63 -0.924 -1.310 -9.120 1.00 73.24 H new ATOM 0 HB3 LYS A 63 -2.216 -1.623 -7.978 1.00 73.24 H new ATOM 0 HG2 LYS A 63 -2.147 0.521 -7.335 1.00 21.40 H new ATOM 0 HG3 LYS A 63 -0.522 0.279 -6.725 1.00 21.40 H new ATOM 0 HD2 LYS A 63 0.468 1.246 -8.559 1.00 51.32 H new ATOM 0 HD3 LYS A 63 -0.726 0.615 -9.676 1.00 51.32 H new ATOM 0 HE2 LYS A 63 -1.742 2.634 -7.733 1.00 45.44 H new ATOM 0 HE3 LYS A 63 -0.578 3.236 -8.898 1.00 45.44 H new ATOM 0 HZ1 LYS A 63 -2.831 3.441 -9.723 1.00 53.45 H new ATOM 0 HZ2 LYS A 63 -1.957 2.353 -10.690 1.00 53.45 H new ATOM 0 HZ3 LYS A 63 -3.084 1.770 -9.561 1.00 53.45 H new ATOM 1003 N GLU A 64 0.003 -4.566 -6.942 1.00 73.22 N ATOM 1004 CA GLU A 64 -0.070 -5.976 -7.308 1.00 1.13 C ATOM 1005 C GLU A 64 0.826 -6.274 -8.506 1.00 63.13 C ATOM 1006 O GLU A 64 0.602 -7.238 -9.238 1.00 22.52 O ATOM 1007 CB GLU A 64 -1.514 -6.369 -7.626 1.00 62.42 C ATOM 1008 CG GLU A 64 -2.529 -5.801 -6.649 1.00 72.10 C ATOM 1009 CD GLU A 64 -3.849 -6.547 -6.680 1.00 31.04 C ATOM 1010 OE1 GLU A 64 -3.870 -7.731 -6.281 1.00 53.50 O ATOM 1011 OE2 GLU A 64 -4.860 -5.948 -7.102 1.00 30.21 O ATOM 0 H GLU A 64 0.379 -4.390 -6.010 1.00 73.22 H new ATOM 0 HA GLU A 64 0.280 -6.564 -6.460 1.00 1.13 H new ATOM 0 HB2 GLU A 64 -1.761 -6.029 -8.632 1.00 62.42 H new ATOM 0 HB3 GLU A 64 -1.594 -7.456 -7.628 1.00 62.42 H new ATOM 0 HG2 GLU A 64 -2.118 -5.839 -5.640 1.00 72.10 H new ATOM 0 HG3 GLU A 64 -2.704 -4.751 -6.882 1.00 72.10 H new ATOM 1018 N SER A 65 1.842 -5.439 -8.701 1.00 15.40 N ATOM 1019 CA SER A 65 2.769 -5.609 -9.813 1.00 24.11 C ATOM 1020 C SER A 65 3.293 -7.041 -9.869 1.00 74.21 C ATOM 1021 O SER A 65 3.726 -7.597 -8.859 1.00 62.14 O ATOM 1022 CB SER A 65 3.939 -4.632 -9.683 1.00 41.41 C ATOM 1023 OG SER A 65 3.873 -3.623 -10.676 1.00 41.31 O ATOM 0 H SER A 65 2.044 -4.638 -8.103 1.00 15.40 H new ATOM 0 HA SER A 65 2.231 -5.400 -10.738 1.00 24.11 H new ATOM 0 HB2 SER A 65 3.927 -4.175 -8.694 1.00 41.41 H new ATOM 0 HB3 SER A 65 4.881 -5.173 -9.772 1.00 41.41 H new ATOM 0 HG SER A 65 4.099 -4.008 -11.549 1.00 41.31 H new ATOM 1029 N THR A 66 3.249 -7.634 -11.058 1.00 74.41 N ATOM 1030 CA THR A 66 3.716 -9.002 -11.248 1.00 3.42 C ATOM 1031 C THR A 66 5.226 -9.043 -11.452 1.00 4.14 C ATOM 1032 O THR A 66 5.754 -8.436 -12.385 1.00 21.42 O ATOM 1033 CB THR A 66 3.029 -9.668 -12.454 1.00 75.32 C ATOM 1034 OG1 THR A 66 3.575 -10.974 -12.670 1.00 45.10 O ATOM 1035 CG2 THR A 66 3.202 -8.826 -13.709 1.00 70.43 C ATOM 0 H THR A 66 2.895 -7.188 -11.904 1.00 74.41 H new ATOM 0 HA THR A 66 3.458 -9.553 -10.343 1.00 3.42 H new ATOM 0 HB THR A 66 1.964 -9.752 -12.236 1.00 75.32 H new ATOM 0 HG1 THR A 66 3.131 -11.391 -13.438 1.00 45.10 H new ATOM 0 HG21 THR A 66 2.708 -9.317 -14.548 1.00 70.43 H new ATOM 0 HG22 THR A 66 2.758 -7.843 -13.552 1.00 70.43 H new ATOM 0 HG23 THR A 66 4.264 -8.714 -13.928 1.00 70.43 H new ATOM 1043 N LEU A 67 5.918 -9.762 -10.574 1.00 55.11 N ATOM 1044 CA LEU A 67 7.369 -9.883 -10.658 1.00 71.23 C ATOM 1045 C LEU A 67 7.786 -11.343 -10.800 1.00 70.54 C ATOM 1046 O LEU A 67 7.002 -12.253 -10.527 1.00 64.32 O ATOM 1047 CB LEU A 67 8.024 -9.272 -9.419 1.00 22.04 C ATOM 1048 CG LEU A 67 8.624 -7.877 -9.595 1.00 52.53 C ATOM 1049 CD1 LEU A 67 8.679 -7.147 -8.262 1.00 41.43 C ATOM 1050 CD2 LEU A 67 10.011 -7.967 -10.214 1.00 41.52 C ATOM 0 H LEU A 67 5.497 -10.270 -9.796 1.00 55.11 H new ATOM 0 HA LEU A 67 7.704 -9.341 -11.543 1.00 71.23 H new ATOM 0 HB2 LEU A 67 7.280 -9.228 -8.624 1.00 22.04 H new ATOM 0 HB3 LEU A 67 8.812 -9.944 -9.081 1.00 22.04 H new ATOM 0 HG LEU A 67 7.983 -7.310 -10.270 1.00 52.53 H new ATOM 0 HD11 LEU A 67 9.109 -6.156 -8.407 1.00 41.43 H new ATOM 0 HD12 LEU A 67 7.671 -7.050 -7.859 1.00 41.43 H new ATOM 0 HD13 LEU A 67 9.296 -7.711 -7.563 1.00 41.43 H new ATOM 0 HD21 LEU A 67 10.423 -6.965 -10.332 1.00 41.52 H new ATOM 0 HD22 LEU A 67 10.662 -8.553 -9.565 1.00 41.52 H new ATOM 0 HD23 LEU A 67 9.944 -8.448 -11.190 1.00 41.52 H new ATOM 1062 N HIS A 68 9.026 -11.561 -11.228 1.00 11.45 N ATOM 1063 CA HIS A 68 9.549 -12.911 -11.403 1.00 74.00 C ATOM 1064 C HIS A 68 10.837 -13.102 -10.609 1.00 30.44 C ATOM 1065 O HIS A 68 11.800 -12.356 -10.781 1.00 22.10 O ATOM 1066 CB HIS A 68 9.802 -13.194 -12.884 1.00 41.01 C ATOM 1067 CG HIS A 68 8.595 -13.699 -13.613 1.00 13.53 C ATOM 1068 ND1 HIS A 68 8.529 -14.953 -14.182 1.00 14.15 N ATOM 1069 CD2 HIS A 68 7.401 -13.111 -13.862 1.00 43.42 C ATOM 1070 CE1 HIS A 68 7.347 -15.114 -14.751 1.00 25.01 C ATOM 1071 NE2 HIS A 68 6.644 -14.011 -14.571 1.00 2.40 N ATOM 0 H HIS A 68 9.687 -10.820 -11.460 1.00 11.45 H new ATOM 0 HA HIS A 68 8.805 -13.614 -11.028 1.00 74.00 H new ATOM 0 HB2 HIS A 68 10.151 -12.280 -13.365 1.00 41.01 H new ATOM 0 HB3 HIS A 68 10.603 -13.927 -12.973 1.00 41.01 H new ATOM 0 HD2 HIS A 68 7.100 -12.119 -13.559 1.00 43.42 H new ATOM 0 HE1 HIS A 68 7.013 -15.998 -15.274 1.00 25.01 H new ATOM 0 HE2 HIS A 68 5.693 -13.853 -14.904 1.00 2.40 H new ATOM 1079 N MET A 69 10.846 -14.106 -9.738 1.00 20.41 N ATOM 1080 CA MET A 69 12.016 -14.395 -8.917 1.00 65.55 C ATOM 1081 C MET A 69 12.557 -15.791 -9.214 1.00 12.15 C ATOM 1082 O MET A 69 11.865 -16.790 -9.016 1.00 62.00 O ATOM 1083 CB MET A 69 11.667 -14.275 -7.433 1.00 24.42 C ATOM 1084 CG MET A 69 12.861 -14.463 -6.511 1.00 21.53 C ATOM 1085 SD MET A 69 13.764 -12.930 -6.222 1.00 43.23 S ATOM 1086 CE MET A 69 15.077 -13.078 -7.432 1.00 1.52 C ATOM 0 H MET A 69 10.056 -14.733 -9.583 1.00 20.41 H new ATOM 0 HA MET A 69 12.789 -13.666 -9.160 1.00 65.55 H new ATOM 0 HB2 MET A 69 11.228 -13.295 -7.250 1.00 24.42 H new ATOM 0 HB3 MET A 69 10.907 -15.016 -7.186 1.00 24.42 H new ATOM 0 HG2 MET A 69 12.519 -14.864 -5.557 1.00 21.53 H new ATOM 0 HG3 MET A 69 13.536 -15.202 -6.943 1.00 21.53 H new ATOM 0 HE1 MET A 69 15.929 -12.474 -7.120 1.00 1.52 H new ATOM 0 HE2 MET A 69 15.382 -14.121 -7.513 1.00 1.52 H new ATOM 0 HE3 MET A 69 14.720 -12.728 -8.401 1.00 1.52 H new ATOM 1096 N VAL A 70 13.797 -15.852 -9.689 1.00 33.13 N ATOM 1097 CA VAL A 70 14.430 -17.125 -10.011 1.00 72.32 C ATOM 1098 C VAL A 70 15.527 -17.463 -9.008 1.00 32.31 C ATOM 1099 O VAL A 70 16.442 -16.671 -8.782 1.00 3.13 O ATOM 1100 CB VAL A 70 15.033 -17.109 -11.428 1.00 72.24 C ATOM 1101 CG1 VAL A 70 13.932 -17.153 -12.478 1.00 3.24 C ATOM 1102 CG2 VAL A 70 15.914 -15.884 -11.618 1.00 54.44 C ATOM 0 H VAL A 70 14.383 -15.035 -9.859 1.00 33.13 H new ATOM 0 HA VAL A 70 13.651 -17.886 -9.964 1.00 72.32 H new ATOM 0 HB VAL A 70 15.654 -17.997 -11.550 1.00 72.24 H new ATOM 0 HG11 VAL A 70 14.377 -17.141 -13.473 1.00 3.24 H new ATOM 0 HG12 VAL A 70 13.347 -18.064 -12.353 1.00 3.24 H new ATOM 0 HG13 VAL A 70 13.282 -16.286 -12.361 1.00 3.24 H new ATOM 0 HG21 VAL A 70 16.332 -15.889 -12.625 1.00 54.44 H new ATOM 0 HG22 VAL A 70 15.318 -14.982 -11.477 1.00 54.44 H new ATOM 0 HG23 VAL A 70 16.724 -15.902 -10.889 1.00 54.44 H new ATOM 1112 N LEU A 71 15.429 -18.645 -8.409 1.00 1.13 N ATOM 1113 CA LEU A 71 16.414 -19.090 -7.429 1.00 11.54 C ATOM 1114 C LEU A 71 17.125 -20.352 -7.906 1.00 5.53 C ATOM 1115 O LEU A 71 16.489 -21.295 -8.375 1.00 41.13 O ATOM 1116 CB LEU A 71 15.740 -19.349 -6.080 1.00 75.25 C ATOM 1117 CG LEU A 71 14.914 -18.196 -5.510 1.00 14.22 C ATOM 1118 CD1 LEU A 71 13.916 -18.710 -4.484 1.00 75.22 C ATOM 1119 CD2 LEU A 71 15.823 -17.144 -4.891 1.00 53.11 C ATOM 0 H LEU A 71 14.678 -19.312 -8.585 1.00 1.13 H new ATOM 0 HA LEU A 71 17.156 -18.300 -7.312 1.00 11.54 H new ATOM 0 HB2 LEU A 71 15.091 -20.219 -6.182 1.00 75.25 H new ATOM 0 HB3 LEU A 71 16.511 -19.610 -5.355 1.00 75.25 H new ATOM 0 HG LEU A 71 14.359 -17.734 -6.326 1.00 14.22 H new ATOM 0 HD11 LEU A 71 13.337 -17.875 -4.089 1.00 75.22 H new ATOM 0 HD12 LEU A 71 13.244 -19.426 -4.957 1.00 75.22 H new ATOM 0 HD13 LEU A 71 14.451 -19.198 -3.669 1.00 75.22 H new ATOM 0 HD21 LEU A 71 15.218 -16.331 -4.490 1.00 53.11 H new ATOM 0 HD22 LEU A 71 16.405 -17.594 -4.087 1.00 53.11 H new ATOM 0 HD23 LEU A 71 16.498 -16.753 -5.652 1.00 53.11 H new