USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 571 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 73 ASN : amide:sc= -1.62 K(o=-4,f=-5.4) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -2.4 F(o=-8.4!,f=-4) USER MOD Set 2.1: A 24 ASN : amide:sc= -0.495 K(o=-0.88,f=-3.5) USER MOD Set 2.2: A 66 GLN : amide:sc= -0.388 K(o=-0.88,f=-1.7) USER MOD Single : A 8 LYS NZ :NH3+ 153:sc= 0.316 (180deg=0.039) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0277 X(o=-0.028,f=-0.043) USER MOD Single : A 14 GLN :FLIP amide:sc= -7.02! C(o=-8.9!,f=-7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc=-0.00715 X(o=-0.0072,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 25 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.5!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.147 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.65 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 106:sc= -0.156 USER MOD Single : A 64 THR OG1 : rot 121:sc= -4.63! USER MOD Single : A 71 TYR OH : rot 81:sc= 0.711 USER MOD Single : A 75 HIS : no HE2:sc= -1.79! C(o=-1.8!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -1.862 -8.479 -10.025 1.00 0.00 N ATOM 27 CA ILE A 3 -1.992 -7.989 -8.664 1.00 0.00 C ATOM 28 C ILE A 3 -2.568 -6.571 -8.689 1.00 0.00 C ATOM 29 O ILE A 3 -3.340 -6.195 -7.809 1.00 0.00 O ATOM 30 CB ILE A 3 -0.656 -8.096 -7.926 1.00 0.00 C ATOM 31 CG1 ILE A 3 0.148 -9.300 -8.421 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.868 -8.133 -6.411 1.00 0.00 C ATOM 33 CD1 ILE A 3 1.188 -8.874 -9.459 1.00 0.00 C ATOM 0 HA ILE A 3 -2.691 -8.608 -8.102 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.071 -7.204 -8.148 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.645 -9.781 -7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.526 -10.038 -8.857 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.097 -8.209 -5.910 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.371 -7.220 -6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.481 -8.996 -6.150 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.746 -9.748 -9.795 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.685 -8.415 -10.310 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.875 -8.155 -9.012 1.00 0.00 H new ATOM 45 N GLU A 4 -2.170 -5.824 -9.708 1.00 0.00 N ATOM 46 CA GLU A 4 -2.636 -4.456 -9.860 1.00 0.00 C ATOM 47 C GLU A 4 -4.110 -4.351 -9.464 1.00 0.00 C ATOM 48 O GLU A 4 -4.474 -3.531 -8.622 1.00 0.00 O ATOM 49 CB GLU A 4 -2.416 -3.957 -11.289 1.00 0.00 C ATOM 50 CG GLU A 4 -3.293 -2.739 -11.586 1.00 0.00 C ATOM 51 CD GLU A 4 -2.996 -2.176 -12.977 1.00 0.00 C ATOM 52 OE1 GLU A 4 -1.921 -2.440 -13.537 1.00 0.00 O ATOM 53 OE2 GLU A 4 -3.929 -1.439 -13.478 1.00 0.00 O ATOM 0 H GLU A 4 -1.530 -6.140 -10.437 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.054 -3.819 -9.194 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.367 -3.697 -11.430 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.644 -4.755 -11.996 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.344 -3.019 -11.520 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.120 -1.970 -10.834 1.00 0.00 H new ATOM 61 N GLU A 5 -4.920 -5.193 -10.089 1.00 0.00 N ATOM 62 CA GLU A 5 -6.346 -5.205 -9.813 1.00 0.00 C ATOM 63 C GLU A 5 -6.596 -5.094 -8.307 1.00 0.00 C ATOM 64 O GLU A 5 -7.470 -4.347 -7.873 1.00 0.00 O ATOM 65 CB GLU A 5 -7.005 -6.461 -10.387 1.00 0.00 C ATOM 66 CG GLU A 5 -6.884 -7.637 -9.416 1.00 0.00 C ATOM 67 CD GLU A 5 -7.433 -8.922 -10.039 1.00 0.00 C ATOM 68 OE1 GLU A 5 -6.945 -9.357 -11.093 1.00 0.00 O ATOM 69 OE2 GLU A 5 -8.400 -9.473 -9.389 1.00 0.00 O ATOM 0 H GLU A 5 -4.615 -5.872 -10.786 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.798 -4.342 -10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.057 -6.262 -10.593 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.537 -6.720 -11.337 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.839 -7.780 -9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.428 -7.413 -8.498 1.00 0.00 H new ATOM 77 N ARG A 6 -5.812 -5.850 -7.553 1.00 0.00 N ATOM 78 CA ARG A 6 -5.936 -5.846 -6.105 1.00 0.00 C ATOM 79 C ARG A 6 -5.241 -4.618 -5.515 1.00 0.00 C ATOM 80 O ARG A 6 -5.640 -4.119 -4.464 1.00 0.00 O ATOM 81 CB ARG A 6 -5.326 -7.110 -5.496 1.00 0.00 C ATOM 82 CG ARG A 6 -6.026 -8.365 -6.023 1.00 0.00 C ATOM 83 CD ARG A 6 -6.190 -9.407 -4.914 1.00 0.00 C ATOM 84 NE ARG A 6 -5.972 -10.766 -5.461 1.00 0.00 N ATOM 85 CZ ARG A 6 -6.863 -11.422 -6.234 1.00 0.00 C ATOM 86 NH1 ARG A 6 -8.042 -10.849 -6.558 1.00 0.00 N ATOM 87 NH2 ARG A 6 -6.565 -12.633 -6.667 1.00 0.00 N ATOM 0 H ARG A 6 -5.088 -6.470 -7.917 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.999 -5.817 -5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.263 -7.156 -5.733 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.409 -7.072 -4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.004 -8.099 -6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.449 -8.790 -6.844 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.479 -9.211 -4.111 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -7.188 -9.336 -4.481 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.094 -11.235 -5.240 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -8.265 -9.913 -6.218 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.710 -11.352 -7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.673 -13.059 -6.416 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.227 -13.143 -7.252 1.00 0.00 H new ATOM 100 N VAL A 7 -4.213 -4.165 -6.218 1.00 0.00 N ATOM 101 CA VAL A 7 -3.458 -3.004 -5.778 1.00 0.00 C ATOM 102 C VAL A 7 -4.356 -1.767 -5.832 1.00 0.00 C ATOM 103 O VAL A 7 -4.624 -1.144 -4.805 1.00 0.00 O ATOM 104 CB VAL A 7 -2.187 -2.858 -6.616 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.363 -1.652 -6.157 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.352 -4.139 -6.576 1.00 0.00 C ATOM 0 H VAL A 7 -3.885 -4.581 -7.090 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.136 -3.127 -4.744 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.486 -2.686 -7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.465 -1.571 -6.769 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.957 -0.744 -6.262 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.080 -1.781 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.454 -4.007 -7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.068 -4.356 -5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.938 -4.968 -6.973 1.00 0.00 H new ATOM 116 N LYS A 8 -4.797 -1.447 -7.040 1.00 0.00 N ATOM 117 CA LYS A 8 -5.659 -0.295 -7.241 1.00 0.00 C ATOM 118 C LYS A 8 -6.763 -0.298 -6.182 1.00 0.00 C ATOM 119 O LYS A 8 -7.091 0.745 -5.619 1.00 0.00 O ATOM 120 CB LYS A 8 -6.185 -0.264 -8.678 1.00 0.00 C ATOM 121 CG LYS A 8 -5.380 0.714 -9.536 1.00 0.00 C ATOM 122 CD LYS A 8 -4.739 -0.001 -10.727 1.00 0.00 C ATOM 123 CE LYS A 8 -5.286 0.539 -12.050 1.00 0.00 C ATOM 124 NZ LYS A 8 -6.370 -0.332 -12.556 1.00 0.00 N ATOM 0 H LYS A 8 -4.573 -1.966 -7.889 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.096 0.629 -7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.130 -1.263 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.236 0.026 -8.678 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.032 1.511 -9.894 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.606 1.183 -8.929 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.657 0.131 -10.696 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.932 -1.072 -10.660 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.662 1.552 -11.909 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.484 0.596 -12.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.018 0.228 -13.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.961 -1.101 -13.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.894 -0.735 -11.754 1.00 0.00 H new ATOM 137 N LYS A 9 -7.305 -1.483 -5.942 1.00 0.00 N ATOM 138 CA LYS A 9 -8.365 -1.636 -4.960 1.00 0.00 C ATOM 139 C LYS A 9 -7.830 -1.265 -3.576 1.00 0.00 C ATOM 140 O LYS A 9 -8.292 -0.302 -2.965 1.00 0.00 O ATOM 141 CB LYS A 9 -8.963 -3.042 -5.032 1.00 0.00 C ATOM 142 CG LYS A 9 -10.491 -2.992 -4.975 1.00 0.00 C ATOM 143 CD LYS A 9 -11.072 -4.361 -4.613 1.00 0.00 C ATOM 144 CE LYS A 9 -12.489 -4.224 -4.052 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.446 -3.883 -2.613 1.00 0.00 N ATOM 0 H LYS A 9 -7.030 -2.346 -6.411 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.187 -0.954 -5.177 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.646 -3.529 -5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.584 -3.645 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.807 -2.253 -4.239 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.884 -2.670 -5.939 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.087 -4.999 -5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.432 -4.849 -3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.030 -3.452 -4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.035 -5.157 -4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.416 -3.794 -2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.948 -4.634 -2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.944 -2.981 -2.485 1.00 0.00 H new ATOM 158 N ILE A 10 -6.863 -2.048 -3.121 1.00 0.00 N ATOM 159 CA ILE A 10 -6.259 -1.813 -1.820 1.00 0.00 C ATOM 160 C ILE A 10 -5.856 -0.342 -1.708 1.00 0.00 C ATOM 161 O ILE A 10 -6.112 0.300 -0.690 1.00 0.00 O ATOM 162 CB ILE A 10 -5.104 -2.788 -1.582 1.00 0.00 C ATOM 163 CG1 ILE A 10 -5.622 -4.212 -1.371 1.00 0.00 C ATOM 164 CG2 ILE A 10 -4.223 -2.320 -0.422 1.00 0.00 C ATOM 165 CD1 ILE A 10 -5.785 -4.521 0.119 1.00 0.00 C ATOM 0 H ILE A 10 -6.483 -2.846 -3.630 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.979 -2.008 -1.025 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.480 -2.803 -2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.579 -4.333 -1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.930 -4.925 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.410 -3.030 -0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.810 -1.338 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.821 -2.258 0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.154 -5.539 0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.821 -4.422 0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.496 -3.822 0.560 1.00 0.00 H new ATOM 177 N ILE A 11 -5.232 0.150 -2.768 1.00 0.00 N ATOM 178 CA ILE A 11 -4.791 1.535 -2.801 1.00 0.00 C ATOM 179 C ILE A 11 -5.931 2.440 -2.331 1.00 0.00 C ATOM 180 O ILE A 11 -5.691 3.475 -1.710 1.00 0.00 O ATOM 181 CB ILE A 11 -4.253 1.893 -4.188 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.979 1.106 -4.502 1.00 0.00 C ATOM 183 CG2 ILE A 11 -4.042 3.402 -4.321 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.737 1.859 -4.021 1.00 0.00 C ATOM 0 H ILE A 11 -5.021 -0.385 -3.610 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.959 1.687 -2.113 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.999 1.606 -4.929 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.024 0.128 -4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.910 0.932 -5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.659 3.630 -5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.991 3.917 -4.171 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.325 3.737 -3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.845 1.278 -4.256 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.682 2.826 -4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.798 2.010 -2.943 1.00 0.00 H new ATOM 196 N GLY A 12 -7.147 2.018 -2.644 1.00 0.00 N ATOM 197 CA GLY A 12 -8.325 2.778 -2.261 1.00 0.00 C ATOM 198 C GLY A 12 -8.583 2.668 -0.757 1.00 0.00 C ATOM 199 O GLY A 12 -9.134 3.585 -0.150 1.00 0.00 O ATOM 0 H GLY A 12 -7.342 1.159 -3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.192 3.825 -2.535 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.193 2.412 -2.810 1.00 0.00 H new ATOM 203 N GLN A 13 -8.173 1.539 -0.199 1.00 0.00 N ATOM 204 CA GLN A 13 -8.353 1.298 1.222 1.00 0.00 C ATOM 205 C GLN A 13 -7.231 1.965 2.020 1.00 0.00 C ATOM 206 O GLN A 13 -7.347 2.143 3.232 1.00 0.00 O ATOM 207 CB GLN A 13 -8.421 -0.201 1.520 1.00 0.00 C ATOM 208 CG GLN A 13 -9.806 -0.596 2.035 1.00 0.00 C ATOM 209 CD GLN A 13 -9.869 -0.509 3.561 1.00 0.00 C ATOM 210 OE1 GLN A 13 -9.138 -1.173 4.277 1.00 0.00 O ATOM 211 NE2 GLN A 13 -10.780 0.346 4.017 1.00 0.00 N ATOM 0 H GLN A 13 -7.716 0.781 -0.706 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.302 1.739 1.528 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.191 -0.766 0.617 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.666 -0.463 2.261 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.560 0.058 1.598 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.041 -1.611 1.715 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.360 0.871 3.362 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.899 0.477 5.022 1.00 0.00 H new ATOM 220 N GLN A 14 -6.169 2.316 1.308 1.00 0.00 N ATOM 221 CA GLN A 14 -5.027 2.959 1.935 1.00 0.00 C ATOM 222 C GLN A 14 -5.456 4.267 2.603 1.00 0.00 C ATOM 223 O GLN A 14 -4.960 4.613 3.674 1.00 0.00 O ATOM 224 CB GLN A 14 -3.909 3.202 0.919 1.00 0.00 C ATOM 225 CG GLN A 14 -3.496 1.897 0.236 1.00 0.00 C ATOM 226 CD GLN A 14 -2.845 0.938 1.235 1.00 0.00 C ATOM 227 OE1 GLN A 14 -1.525 0.836 1.106 1.00 0.00 O flip ATOM 228 NE2 GLN A 14 -3.498 0.330 2.068 1.00 0.00 N flip ATOM 0 H GLN A 14 -6.076 2.167 0.303 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.635 2.293 2.704 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.244 3.919 0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.047 3.643 1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.370 1.424 -0.211 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.800 2.111 -0.575 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.509 0.454 2.113 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.032 -0.302 2.719 1.00 0.00 H new ATOM 237 N LEU A 15 -6.372 4.960 1.942 1.00 0.00 N ATOM 238 CA LEU A 15 -6.872 6.222 2.457 1.00 0.00 C ATOM 239 C LEU A 15 -8.382 6.303 2.220 1.00 0.00 C ATOM 240 O LEU A 15 -9.152 6.494 3.159 1.00 0.00 O ATOM 241 CB LEU A 15 -6.092 7.394 1.858 1.00 0.00 C ATOM 242 CG LEU A 15 -6.932 8.540 1.292 1.00 0.00 C ATOM 243 CD1 LEU A 15 -7.746 9.219 2.395 1.00 0.00 C ATOM 244 CD2 LEU A 15 -6.057 9.537 0.529 1.00 0.00 C ATOM 0 H LEU A 15 -6.781 4.670 1.054 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.714 6.282 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.434 7.798 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.453 7.011 1.062 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.642 8.123 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.334 10.030 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.414 8.491 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.071 9.621 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.679 10.342 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.308 9.953 1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.560 9.028 -0.297 1.00 0.00 H new ATOM 256 N GLY A 16 -8.758 6.155 0.958 1.00 0.00 N ATOM 257 CA GLY A 16 -10.162 6.209 0.585 1.00 0.00 C ATOM 258 C GLY A 16 -10.370 7.105 -0.637 1.00 0.00 C ATOM 259 O GLY A 16 -10.745 8.269 -0.502 1.00 0.00 O ATOM 0 H GLY A 16 -8.116 5.998 0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.524 5.204 0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.750 6.586 1.422 1.00 0.00 H new ATOM 263 N VAL A 17 -10.117 6.530 -1.804 1.00 0.00 N ATOM 264 CA VAL A 17 -10.272 7.262 -3.049 1.00 0.00 C ATOM 265 C VAL A 17 -10.857 6.332 -4.113 1.00 0.00 C ATOM 266 O VAL A 17 -11.137 5.166 -3.838 1.00 0.00 O ATOM 267 CB VAL A 17 -8.934 7.878 -3.464 1.00 0.00 C ATOM 268 CG1 VAL A 17 -8.843 9.340 -3.023 1.00 0.00 C ATOM 269 CG2 VAL A 17 -7.761 7.065 -2.912 1.00 0.00 C ATOM 0 H VAL A 17 -9.806 5.565 -1.913 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.970 8.089 -2.921 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.877 7.852 -4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.882 9.754 -3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.648 9.910 -3.486 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.933 9.399 -1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.822 7.524 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.813 7.044 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.811 6.047 -3.297 1.00 0.00 H new ATOM 279 N LYS A 18 -11.026 6.882 -5.307 1.00 0.00 N ATOM 280 CA LYS A 18 -11.573 6.116 -6.413 1.00 0.00 C ATOM 281 C LYS A 18 -10.440 5.718 -7.361 1.00 0.00 C ATOM 282 O LYS A 18 -9.312 5.493 -6.926 1.00 0.00 O ATOM 283 CB LYS A 18 -12.701 6.892 -7.096 1.00 0.00 C ATOM 284 CG LYS A 18 -13.803 5.946 -7.578 1.00 0.00 C ATOM 285 CD LYS A 18 -14.330 6.374 -8.950 1.00 0.00 C ATOM 286 CE LYS A 18 -15.832 6.661 -8.894 1.00 0.00 C ATOM 287 NZ LYS A 18 -16.276 7.337 -10.134 1.00 0.00 N ATOM 0 H LYS A 18 -10.793 7.849 -5.532 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.026 5.193 -6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.120 7.620 -6.401 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.302 7.452 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.415 4.929 -7.634 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.620 5.936 -6.857 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.798 7.264 -9.287 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.133 5.589 -9.680 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.382 5.729 -8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.057 7.287 -8.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.297 7.525 -10.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.764 8.236 -10.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.079 6.726 -10.952 1.00 0.00 H new ATOM 300 N GLN A 19 -10.780 5.641 -8.640 1.00 0.00 N ATOM 301 CA GLN A 19 -9.806 5.273 -9.653 1.00 0.00 C ATOM 302 C GLN A 19 -9.348 6.513 -10.424 1.00 0.00 C ATOM 303 O GLN A 19 -8.167 6.654 -10.735 1.00 0.00 O ATOM 304 CB GLN A 19 -10.374 4.216 -10.602 1.00 0.00 C ATOM 305 CG GLN A 19 -11.802 4.569 -11.025 1.00 0.00 C ATOM 306 CD GLN A 19 -12.261 3.691 -12.190 1.00 0.00 C ATOM 307 OE1 GLN A 19 -11.756 3.770 -13.298 1.00 0.00 O ATOM 308 NE2 GLN A 19 -13.246 2.852 -11.880 1.00 0.00 N ATOM 0 H GLN A 19 -11.717 5.827 -8.997 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.940 4.838 -9.155 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.739 4.135 -11.484 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.366 3.242 -10.113 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.478 4.440 -10.180 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -11.850 5.619 -11.315 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.624 2.837 -10.933 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.623 2.224 -12.590 1.00 0.00 H new ATOM 317 N GLU A 20 -10.308 7.381 -10.710 1.00 0.00 N ATOM 318 CA GLU A 20 -10.018 8.604 -11.439 1.00 0.00 C ATOM 319 C GLU A 20 -9.356 9.628 -10.515 1.00 0.00 C ATOM 320 O GLU A 20 -8.786 10.613 -10.982 1.00 0.00 O ATOM 321 CB GLU A 20 -11.287 9.178 -12.073 1.00 0.00 C ATOM 322 CG GLU A 20 -11.321 8.902 -13.577 1.00 0.00 C ATOM 323 CD GLU A 20 -12.358 9.786 -14.274 1.00 0.00 C ATOM 324 OE1 GLU A 20 -13.318 10.237 -13.632 1.00 0.00 O ATOM 325 OE2 GLU A 20 -12.139 9.999 -15.527 1.00 0.00 O ATOM 0 H GLU A 20 -11.287 7.261 -10.450 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.323 8.368 -12.245 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.165 8.739 -11.599 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -11.333 10.253 -11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.336 9.084 -14.006 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.556 7.852 -13.752 1.00 0.00 H new ATOM 333 N GLU A 21 -9.452 9.359 -9.221 1.00 0.00 N ATOM 334 CA GLU A 21 -8.869 10.245 -8.228 1.00 0.00 C ATOM 335 C GLU A 21 -7.443 9.802 -7.893 1.00 0.00 C ATOM 336 O GLU A 21 -6.685 10.550 -7.278 1.00 0.00 O ATOM 337 CB GLU A 21 -9.735 10.302 -6.968 1.00 0.00 C ATOM 338 CG GLU A 21 -10.529 11.609 -6.907 1.00 0.00 C ATOM 339 CD GLU A 21 -10.344 12.300 -5.555 1.00 0.00 C ATOM 340 OE1 GLU A 21 -11.205 12.176 -4.672 1.00 0.00 O ATOM 341 OE2 GLU A 21 -9.257 12.986 -5.437 1.00 0.00 O ATOM 0 H GLU A 21 -9.925 8.540 -8.838 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.828 11.251 -8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.421 9.455 -6.955 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.103 10.214 -6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.204 12.274 -7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.587 11.404 -7.073 1.00 0.00 H new ATOM 349 N VAL A 22 -7.121 8.587 -8.312 1.00 0.00 N ATOM 350 CA VAL A 22 -5.800 8.035 -8.064 1.00 0.00 C ATOM 351 C VAL A 22 -5.227 7.489 -9.373 1.00 0.00 C ATOM 352 O VAL A 22 -4.551 6.461 -9.379 1.00 0.00 O ATOM 353 CB VAL A 22 -5.873 6.981 -6.958 1.00 0.00 C ATOM 354 CG1 VAL A 22 -4.472 6.552 -6.517 1.00 0.00 C ATOM 355 CG2 VAL A 22 -6.690 7.489 -5.769 1.00 0.00 C ATOM 0 H VAL A 22 -7.752 7.969 -8.822 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.121 8.811 -7.711 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.380 6.105 -7.363 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.552 5.802 -5.730 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.936 6.130 -7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.928 7.418 -6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.726 6.720 -4.997 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.224 8.388 -5.365 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.703 7.722 -6.097 1.00 0.00 H new ATOM 365 N THR A 23 -5.516 8.202 -10.452 1.00 0.00 N ATOM 366 CA THR A 23 -5.038 7.802 -11.764 1.00 0.00 C ATOM 367 C THR A 23 -3.593 7.307 -11.677 1.00 0.00 C ATOM 368 O THR A 23 -2.882 7.622 -10.724 1.00 0.00 O ATOM 369 CB THR A 23 -5.217 8.988 -12.715 1.00 0.00 C ATOM 370 OG1 THR A 23 -4.824 10.117 -11.939 1.00 0.00 O ATOM 371 CG2 THR A 23 -6.687 9.256 -13.045 1.00 0.00 C ATOM 0 H THR A 23 -6.076 9.055 -10.444 1.00 0.00 H new ATOM 0 HA THR A 23 -5.614 6.963 -12.155 1.00 0.00 H new ATOM 0 HB THR A 23 -4.666 8.801 -13.637 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.907 10.930 -12.479 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.759 10.107 -13.723 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.119 8.376 -13.521 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.232 9.477 -12.127 1.00 0.00 H new ATOM 379 N ASN A 24 -3.202 6.540 -12.684 1.00 0.00 N ATOM 380 CA ASN A 24 -1.854 5.999 -12.733 1.00 0.00 C ATOM 381 C ASN A 24 -0.891 7.082 -13.222 1.00 0.00 C ATOM 382 O ASN A 24 -0.539 7.118 -14.400 1.00 0.00 O ATOM 383 CB ASN A 24 -1.770 4.818 -13.702 1.00 0.00 C ATOM 384 CG ASN A 24 -2.485 3.590 -13.134 1.00 0.00 C ATOM 385 OD1 ASN A 24 -2.066 2.994 -12.155 1.00 0.00 O ATOM 386 ND2 ASN A 24 -3.583 3.246 -13.801 1.00 0.00 N ATOM 0 H ASN A 24 -3.795 6.280 -13.472 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.589 5.663 -11.731 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.217 5.094 -14.657 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.725 4.577 -13.897 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.130 2.439 -13.501 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.878 3.789 -14.613 1.00 0.00 H new ATOM 393 N ASN A 25 -0.493 7.938 -12.293 1.00 0.00 N ATOM 394 CA ASN A 25 0.423 9.019 -12.616 1.00 0.00 C ATOM 395 C ASN A 25 0.554 9.948 -11.407 1.00 0.00 C ATOM 396 O ASN A 25 1.620 10.513 -11.167 1.00 0.00 O ATOM 397 CB ASN A 25 -0.095 9.847 -13.793 1.00 0.00 C ATOM 398 CG ASN A 25 0.754 11.104 -13.996 1.00 0.00 C ATOM 399 OD1 ASN A 25 1.840 11.244 -13.458 1.00 0.00 O ATOM 400 ND2 ASN A 25 0.201 12.006 -14.801 1.00 0.00 N ATOM 0 H ASN A 25 -0.788 7.905 -11.317 1.00 0.00 H new ATOM 0 HA ASN A 25 1.384 8.579 -12.880 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.081 9.244 -14.701 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.132 10.130 -13.615 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.690 12.879 -15.001 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.712 11.825 -15.219 1.00 0.00 H new ATOM 407 N ALA A 26 -0.544 10.076 -10.677 1.00 0.00 N ATOM 408 CA ALA A 26 -0.565 10.926 -9.499 1.00 0.00 C ATOM 409 C ALA A 26 0.530 10.474 -8.530 1.00 0.00 C ATOM 410 O ALA A 26 1.132 9.418 -8.717 1.00 0.00 O ATOM 411 CB ALA A 26 -1.957 10.887 -8.865 1.00 0.00 C ATOM 0 H ALA A 26 -1.426 9.605 -10.879 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.359 11.962 -9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.972 11.525 -7.981 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.694 11.245 -9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.197 9.863 -8.578 1.00 0.00 H new ATOM 417 N SER A 27 0.754 11.297 -7.515 1.00 0.00 N ATOM 418 CA SER A 27 1.765 10.995 -6.517 1.00 0.00 C ATOM 419 C SER A 27 1.310 11.494 -5.144 1.00 0.00 C ATOM 420 O SER A 27 0.654 12.529 -5.042 1.00 0.00 O ATOM 421 CB SER A 27 3.111 11.620 -6.889 1.00 0.00 C ATOM 422 OG SER A 27 4.135 10.639 -7.030 1.00 0.00 O ATOM 0 H SER A 27 0.252 12.172 -7.363 1.00 0.00 H new ATOM 0 HA SER A 27 1.895 9.913 -6.479 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.008 12.173 -7.823 1.00 0.00 H new ATOM 0 HB3 SER A 27 3.401 12.339 -6.123 1.00 0.00 H new ATOM 0 HG SER A 27 4.978 11.078 -7.269 1.00 0.00 H new ATOM 428 N PHE A 28 1.677 10.734 -4.122 1.00 0.00 N ATOM 429 CA PHE A 28 1.315 11.086 -2.760 1.00 0.00 C ATOM 430 C PHE A 28 1.422 12.596 -2.537 1.00 0.00 C ATOM 431 O PHE A 28 0.409 13.282 -2.411 1.00 0.00 O ATOM 432 CB PHE A 28 2.305 10.375 -1.836 1.00 0.00 C ATOM 433 CG PHE A 28 2.150 8.853 -1.810 1.00 0.00 C ATOM 434 CD1 PHE A 28 2.797 8.088 -2.730 1.00 0.00 C ATOM 435 CD2 PHE A 28 1.365 8.265 -0.868 1.00 0.00 C ATOM 436 CE1 PHE A 28 2.653 6.676 -2.707 1.00 0.00 C ATOM 437 CE2 PHE A 28 1.221 6.853 -0.844 1.00 0.00 C ATOM 438 CZ PHE A 28 1.868 6.088 -1.764 1.00 0.00 C ATOM 0 H PHE A 28 2.221 9.876 -4.210 1.00 0.00 H new ATOM 0 HA PHE A 28 0.286 10.788 -2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.320 10.621 -2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.182 10.760 -0.824 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.420 8.555 -3.478 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.851 8.873 -0.138 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.166 6.069 -3.438 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.598 6.386 -0.095 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.759 5.014 -1.746 1.00 0.00 H new ATOM 448 N VAL A 29 2.659 13.070 -2.495 1.00 0.00 N ATOM 449 CA VAL A 29 2.911 14.486 -2.290 1.00 0.00 C ATOM 450 C VAL A 29 2.314 15.280 -3.453 1.00 0.00 C ATOM 451 O VAL A 29 2.104 16.487 -3.343 1.00 0.00 O ATOM 452 CB VAL A 29 4.410 14.729 -2.107 1.00 0.00 C ATOM 453 CG1 VAL A 29 4.707 16.220 -1.933 1.00 0.00 C ATOM 454 CG2 VAL A 29 4.957 13.920 -0.929 1.00 0.00 C ATOM 0 H VAL A 29 3.497 12.498 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 29 2.425 14.832 -1.378 1.00 0.00 H new ATOM 0 HB VAL A 29 4.917 14.390 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.780 16.365 -1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.370 16.763 -2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.183 16.595 -1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.025 14.111 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.441 14.214 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.795 12.858 -1.111 1.00 0.00 H new ATOM 464 N GLU A 30 2.058 14.570 -4.542 1.00 0.00 N ATOM 465 CA GLU A 30 1.490 15.194 -5.725 1.00 0.00 C ATOM 466 C GLU A 30 -0.018 15.391 -5.549 1.00 0.00 C ATOM 467 O GLU A 30 -0.457 16.418 -5.036 1.00 0.00 O ATOM 468 CB GLU A 30 1.793 14.370 -6.979 1.00 0.00 C ATOM 469 CG GLU A 30 3.214 14.637 -7.479 1.00 0.00 C ATOM 470 CD GLU A 30 3.355 14.257 -8.955 1.00 0.00 C ATOM 471 OE1 GLU A 30 2.510 14.640 -9.777 1.00 0.00 O ATOM 472 OE2 GLU A 30 4.388 13.538 -9.236 1.00 0.00 O ATOM 0 H GLU A 30 2.233 13.569 -4.630 1.00 0.00 H new ATOM 0 HA GLU A 30 1.952 16.173 -5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.674 13.309 -6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.076 14.615 -7.762 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.458 15.691 -7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.927 14.067 -6.883 1.00 0.00 H new ATOM 480 N ASP A 31 -0.767 14.389 -5.986 1.00 0.00 N ATOM 481 CA ASP A 31 -2.216 14.439 -5.883 1.00 0.00 C ATOM 482 C ASP A 31 -2.735 13.085 -5.396 1.00 0.00 C ATOM 483 O ASP A 31 -3.943 12.851 -5.372 1.00 0.00 O ATOM 484 CB ASP A 31 -2.855 14.729 -7.243 1.00 0.00 C ATOM 485 CG ASP A 31 -3.941 15.806 -7.230 1.00 0.00 C ATOM 486 OD1 ASP A 31 -5.118 15.530 -7.507 1.00 0.00 O ATOM 487 OD2 ASP A 31 -3.533 16.989 -6.915 1.00 0.00 O ATOM 0 H ASP A 31 -0.398 13.539 -6.412 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.477 15.234 -5.185 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.072 15.032 -7.938 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.285 13.805 -7.630 1.00 0.00 H new ATOM 493 N LEU A 32 -1.797 12.228 -5.019 1.00 0.00 N ATOM 494 CA LEU A 32 -2.145 10.904 -4.533 1.00 0.00 C ATOM 495 C LEU A 32 -2.394 10.967 -3.025 1.00 0.00 C ATOM 496 O LEU A 32 -2.393 9.939 -2.349 1.00 0.00 O ATOM 497 CB LEU A 32 -1.076 9.887 -4.939 1.00 0.00 C ATOM 498 CG LEU A 32 -1.588 8.506 -5.355 1.00 0.00 C ATOM 499 CD1 LEU A 32 -0.440 7.622 -5.847 1.00 0.00 C ATOM 500 CD2 LEU A 32 -2.373 7.847 -4.220 1.00 0.00 C ATOM 0 H LEU A 32 -0.796 12.425 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.071 10.560 -4.994 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.502 10.304 -5.766 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.387 9.761 -4.104 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.277 8.634 -6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.830 6.646 -6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.038 8.091 -6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.291 7.498 -5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.725 6.867 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.727 7.732 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.227 8.471 -3.958 1.00 0.00 H new ATOM 512 N GLY A 33 -2.600 12.183 -2.542 1.00 0.00 N ATOM 513 CA GLY A 33 -2.850 12.394 -1.126 1.00 0.00 C ATOM 514 C GLY A 33 -1.721 11.805 -0.277 1.00 0.00 C ATOM 515 O GLY A 33 -1.805 10.660 0.166 1.00 0.00 O ATOM 0 H GLY A 33 -2.599 13.033 -3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.943 13.461 -0.924 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.798 11.933 -0.848 1.00 0.00 H new ATOM 519 N ALA A 34 -0.691 12.613 -0.076 1.00 0.00 N ATOM 520 CA ALA A 34 0.453 12.186 0.712 1.00 0.00 C ATOM 521 C ALA A 34 0.061 12.144 2.190 1.00 0.00 C ATOM 522 O ALA A 34 0.544 12.947 2.987 1.00 0.00 O ATOM 523 CB ALA A 34 1.633 13.124 0.448 1.00 0.00 C ATOM 0 H ALA A 34 -0.624 13.562 -0.445 1.00 0.00 H new ATOM 0 HA ALA A 34 0.764 11.182 0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.491 12.804 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.890 13.096 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.359 14.141 0.728 1.00 0.00 H new ATOM 529 N ASP A 35 -0.811 11.200 2.512 1.00 0.00 N ATOM 530 CA ASP A 35 -1.273 11.042 3.880 1.00 0.00 C ATOM 531 C ASP A 35 -0.430 9.973 4.579 1.00 0.00 C ATOM 532 O ASP A 35 -0.207 8.896 4.028 1.00 0.00 O ATOM 533 CB ASP A 35 -2.735 10.591 3.919 1.00 0.00 C ATOM 534 CG ASP A 35 -3.686 11.403 3.037 1.00 0.00 C ATOM 535 OD1 ASP A 35 -3.261 12.056 2.072 1.00 0.00 O ATOM 536 OD2 ASP A 35 -4.928 11.346 3.379 1.00 0.00 O ATOM 0 H ASP A 35 -1.210 10.536 1.848 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.179 12.006 4.381 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.785 9.545 3.615 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.088 10.641 4.949 1.00 0.00 H new ATOM 542 N SER A 36 0.015 10.309 5.780 1.00 0.00 N ATOM 543 CA SER A 36 0.829 9.392 6.560 1.00 0.00 C ATOM 544 C SER A 36 0.194 8.000 6.560 1.00 0.00 C ATOM 545 O SER A 36 0.898 6.992 6.501 1.00 0.00 O ATOM 546 CB SER A 36 1.006 9.894 7.994 1.00 0.00 C ATOM 547 OG SER A 36 2.198 10.659 8.148 1.00 0.00 O ATOM 0 H SER A 36 -0.172 11.204 6.233 1.00 0.00 H new ATOM 0 HA SER A 36 1.816 9.335 6.100 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.146 10.502 8.274 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.030 9.044 8.675 1.00 0.00 H new ATOM 0 HG SER A 36 2.274 10.963 9.077 1.00 0.00 H new ATOM 553 N LEU A 37 -1.129 7.988 6.628 1.00 0.00 N ATOM 554 CA LEU A 37 -1.867 6.736 6.637 1.00 0.00 C ATOM 555 C LEU A 37 -1.645 6.009 5.309 1.00 0.00 C ATOM 556 O LEU A 37 -1.583 4.781 5.272 1.00 0.00 O ATOM 557 CB LEU A 37 -3.341 6.985 6.963 1.00 0.00 C ATOM 558 CG LEU A 37 -3.620 7.783 8.238 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.067 8.280 8.268 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.267 6.968 9.484 1.00 0.00 C ATOM 0 H LEU A 37 -1.709 8.825 6.677 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.497 6.081 7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.795 7.510 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.843 6.021 7.044 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.977 8.663 8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.239 8.844 9.185 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.249 8.923 7.407 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.745 7.427 8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.475 7.559 10.376 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.865 6.057 9.504 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.209 6.707 9.460 1.00 0.00 H new ATOM 572 N ASP A 38 -1.533 6.798 4.250 1.00 0.00 N ATOM 573 CA ASP A 38 -1.320 6.245 2.924 1.00 0.00 C ATOM 574 C ASP A 38 0.085 5.644 2.846 1.00 0.00 C ATOM 575 O ASP A 38 0.250 4.492 2.446 1.00 0.00 O ATOM 576 CB ASP A 38 -1.429 7.330 1.851 1.00 0.00 C ATOM 577 CG ASP A 38 -2.604 7.168 0.884 1.00 0.00 C ATOM 578 OD1 ASP A 38 -2.703 6.166 0.161 1.00 0.00 O ATOM 579 OD2 ASP A 38 -3.454 8.139 0.892 1.00 0.00 O ATOM 0 H ASP A 38 -1.586 7.816 4.284 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.082 5.486 2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.514 8.299 2.343 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.504 7.345 1.275 1.00 0.00 H new ATOM 585 N THR A 39 1.062 6.449 3.236 1.00 0.00 N ATOM 586 CA THR A 39 2.447 6.011 3.216 1.00 0.00 C ATOM 587 C THR A 39 2.658 4.864 4.207 1.00 0.00 C ATOM 588 O THR A 39 3.494 3.991 3.983 1.00 0.00 O ATOM 589 CB THR A 39 3.332 7.227 3.497 1.00 0.00 C ATOM 590 OG1 THR A 39 3.683 7.707 2.202 1.00 0.00 O ATOM 591 CG2 THR A 39 4.672 6.843 4.128 1.00 0.00 C ATOM 0 H THR A 39 0.922 7.403 3.568 1.00 0.00 H new ATOM 0 HA THR A 39 2.721 5.610 2.240 1.00 0.00 H new ATOM 0 HB THR A 39 2.804 7.915 4.157 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.256 8.497 2.290 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.261 7.743 4.307 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.495 6.331 5.074 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.216 6.181 3.453 1.00 0.00 H new ATOM 599 N VAL A 40 1.884 4.904 5.282 1.00 0.00 N ATOM 600 CA VAL A 40 1.976 3.880 6.309 1.00 0.00 C ATOM 601 C VAL A 40 1.197 2.642 5.858 1.00 0.00 C ATOM 602 O VAL A 40 1.645 1.515 6.062 1.00 0.00 O ATOM 603 CB VAL A 40 1.490 4.437 7.649 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.381 3.327 8.696 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.403 5.563 8.137 1.00 0.00 C ATOM 0 H VAL A 40 1.190 5.629 5.464 1.00 0.00 H new ATOM 0 HA VAL A 40 3.013 3.577 6.456 1.00 0.00 H new ATOM 0 HB VAL A 40 0.494 4.854 7.498 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.034 3.749 9.639 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.673 2.572 8.354 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.359 2.868 8.842 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.036 5.942 9.091 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.416 5.181 8.264 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.409 6.370 7.404 1.00 0.00 H new ATOM 615 N GLU A 41 0.045 2.894 5.254 1.00 0.00 N ATOM 616 CA GLU A 41 -0.799 1.814 4.773 1.00 0.00 C ATOM 617 C GLU A 41 -0.069 1.008 3.698 1.00 0.00 C ATOM 618 O GLU A 41 -0.418 -0.142 3.434 1.00 0.00 O ATOM 619 CB GLU A 41 -2.131 2.353 4.245 1.00 0.00 C ATOM 620 CG GLU A 41 -3.125 2.571 5.387 1.00 0.00 C ATOM 621 CD GLU A 41 -4.353 1.672 5.225 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.209 0.459 5.011 1.00 0.00 O ATOM 623 OE2 GLU A 41 -5.488 2.276 5.329 1.00 0.00 O ATOM 0 H GLU A 41 -0.323 3.830 5.087 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.019 1.151 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.964 3.293 3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.550 1.653 3.522 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.640 2.362 6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.435 3.616 5.409 1.00 0.00 H new ATOM 631 N LEU A 42 0.932 1.642 3.105 1.00 0.00 N ATOM 632 CA LEU A 42 1.714 0.998 2.064 1.00 0.00 C ATOM 633 C LEU A 42 2.687 0.006 2.703 1.00 0.00 C ATOM 634 O LEU A 42 3.043 -1.001 2.093 1.00 0.00 O ATOM 635 CB LEU A 42 2.396 2.045 1.181 1.00 0.00 C ATOM 636 CG LEU A 42 2.220 1.867 -0.329 1.00 0.00 C ATOM 637 CD1 LEU A 42 0.915 2.507 -0.807 1.00 0.00 C ATOM 638 CD2 LEU A 42 3.434 2.403 -1.090 1.00 0.00 C ATOM 0 H LEU A 42 1.219 2.595 3.326 1.00 0.00 H new ATOM 0 HA LEU A 42 1.066 0.427 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.015 3.028 1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.463 2.041 1.405 1.00 0.00 H new ATOM 0 HG LEU A 42 2.153 0.800 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.814 2.367 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.072 2.038 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.928 3.573 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.283 2.264 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.558 3.465 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.327 1.863 -0.777 1.00 0.00 H new ATOM 650 N VAL A 43 3.090 0.324 3.925 1.00 0.00 N ATOM 651 CA VAL A 43 4.015 -0.527 4.653 1.00 0.00 C ATOM 652 C VAL A 43 3.245 -1.695 5.273 1.00 0.00 C ATOM 653 O VAL A 43 3.812 -2.761 5.509 1.00 0.00 O ATOM 654 CB VAL A 43 4.783 0.299 5.687 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.885 -0.533 6.345 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.357 1.570 5.057 1.00 0.00 C ATOM 0 H VAL A 43 2.792 1.159 4.429 1.00 0.00 H new ATOM 0 HA VAL A 43 4.759 -0.949 3.977 1.00 0.00 H new ATOM 0 HB VAL A 43 4.081 0.599 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.415 0.078 7.075 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.441 -1.394 6.845 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.585 -0.877 5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.898 2.139 5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.038 1.300 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.544 2.177 4.658 1.00 0.00 H new ATOM 666 N MET A 44 1.966 -1.455 5.520 1.00 0.00 N ATOM 667 CA MET A 44 1.113 -2.474 6.108 1.00 0.00 C ATOM 668 C MET A 44 0.379 -3.267 5.025 1.00 0.00 C ATOM 669 O MET A 44 0.231 -4.483 5.134 1.00 0.00 O ATOM 670 CB MET A 44 0.092 -1.812 7.036 1.00 0.00 C ATOM 671 CG MET A 44 0.783 -1.170 8.241 1.00 0.00 C ATOM 672 SD MET A 44 -0.439 -0.531 9.375 1.00 0.00 S ATOM 673 CE MET A 44 -0.675 -1.962 10.415 1.00 0.00 C ATOM 0 H MET A 44 1.499 -0.570 5.324 1.00 0.00 H new ATOM 0 HA MET A 44 1.740 -3.163 6.674 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.467 -1.055 6.486 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.629 -2.554 7.378 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.410 -1.905 8.745 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.439 -0.365 7.909 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.413 -1.735 11.184 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.027 -2.798 9.810 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.271 -2.229 10.887 1.00 0.00 H new ATOM 683 N ALA A 45 -0.060 -2.546 4.004 1.00 0.00 N ATOM 684 CA ALA A 45 -0.775 -3.167 2.902 1.00 0.00 C ATOM 685 C ALA A 45 0.088 -4.279 2.303 1.00 0.00 C ATOM 686 O ALA A 45 -0.389 -5.394 2.092 1.00 0.00 O ATOM 687 CB ALA A 45 -1.150 -2.100 1.871 1.00 0.00 C ATOM 0 H ALA A 45 0.066 -1.538 3.917 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.702 -3.621 3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.686 -2.566 1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.786 -1.349 2.339 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.245 -1.624 1.494 1.00 0.00 H new ATOM 693 N LEU A 46 1.342 -3.938 2.045 1.00 0.00 N ATOM 694 CA LEU A 46 2.275 -4.894 1.474 1.00 0.00 C ATOM 695 C LEU A 46 2.571 -5.988 2.503 1.00 0.00 C ATOM 696 O LEU A 46 2.797 -7.141 2.140 1.00 0.00 O ATOM 697 CB LEU A 46 3.526 -4.180 0.959 1.00 0.00 C ATOM 698 CG LEU A 46 3.308 -3.184 -0.181 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.519 -2.262 -0.343 1.00 0.00 C ATOM 700 CD2 LEU A 46 2.962 -3.908 -1.483 1.00 0.00 C ATOM 0 H LEU A 46 1.734 -3.013 2.221 1.00 0.00 H new ATOM 0 HA LEU A 46 1.835 -5.383 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.988 -3.652 1.793 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.239 -4.934 0.625 1.00 0.00 H new ATOM 0 HG LEU A 46 2.455 -2.555 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.338 -1.564 -1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.679 -1.706 0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.404 -2.859 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.812 -3.177 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.778 -4.577 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.049 -4.487 -1.346 1.00 0.00 H new ATOM 712 N GLU A 47 2.559 -5.587 3.765 1.00 0.00 N ATOM 713 CA GLU A 47 2.823 -6.519 4.849 1.00 0.00 C ATOM 714 C GLU A 47 1.647 -7.482 5.019 1.00 0.00 C ATOM 715 O GLU A 47 1.842 -8.662 5.305 1.00 0.00 O ATOM 716 CB GLU A 47 3.116 -5.774 6.153 1.00 0.00 C ATOM 717 CG GLU A 47 4.588 -5.913 6.545 1.00 0.00 C ATOM 718 CD GLU A 47 4.811 -7.158 7.406 1.00 0.00 C ATOM 719 OE1 GLU A 47 3.985 -7.465 8.278 1.00 0.00 O ATOM 720 OE2 GLU A 47 5.888 -7.818 7.142 1.00 0.00 O ATOM 0 H GLU A 47 2.371 -4.630 4.062 1.00 0.00 H new ATOM 0 HA GLU A 47 3.709 -7.101 4.595 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.865 -4.720 6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.485 -6.167 6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.203 -5.973 5.647 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.908 -5.026 7.092 1.00 0.00 H new ATOM 728 N GLU A 48 0.450 -6.942 4.837 1.00 0.00 N ATOM 729 CA GLU A 48 -0.758 -7.739 4.968 1.00 0.00 C ATOM 730 C GLU A 48 -1.131 -8.361 3.621 1.00 0.00 C ATOM 731 O GLU A 48 -1.948 -9.279 3.562 1.00 0.00 O ATOM 732 CB GLU A 48 -1.911 -6.899 5.522 1.00 0.00 C ATOM 733 CG GLU A 48 -2.641 -7.643 6.642 1.00 0.00 C ATOM 734 CD GLU A 48 -4.122 -7.827 6.304 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.469 -8.034 5.131 1.00 0.00 O ATOM 736 OE2 GLU A 48 -4.925 -7.749 7.310 1.00 0.00 O ATOM 0 H GLU A 48 0.291 -5.963 4.600 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.565 -8.544 5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.527 -5.952 5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.611 -6.662 4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.177 -8.616 6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.544 -7.089 7.575 1.00 0.00 H new ATOM 744 N GLU A 49 -0.513 -7.838 2.572 1.00 0.00 N ATOM 745 CA GLU A 49 -0.770 -8.331 1.229 1.00 0.00 C ATOM 746 C GLU A 49 0.088 -9.566 0.944 1.00 0.00 C ATOM 747 O GLU A 49 -0.439 -10.657 0.732 1.00 0.00 O ATOM 748 CB GLU A 49 -0.522 -7.239 0.187 1.00 0.00 C ATOM 749 CG GLU A 49 -0.708 -7.782 -1.231 1.00 0.00 C ATOM 750 CD GLU A 49 0.639 -7.934 -1.941 1.00 0.00 C ATOM 751 OE1 GLU A 49 1.630 -7.311 -1.530 1.00 0.00 O ATOM 752 OE2 GLU A 49 0.635 -8.733 -2.953 1.00 0.00 O ATOM 0 H GLU A 49 0.165 -7.078 2.625 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.819 -8.618 1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.208 -6.409 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.488 -6.846 0.300 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.213 -8.747 -1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.350 -7.110 -1.801 1.00 0.00 H new ATOM 760 N PHE A 50 1.395 -9.352 0.949 1.00 0.00 N ATOM 761 CA PHE A 50 2.331 -10.434 0.693 1.00 0.00 C ATOM 762 C PHE A 50 3.585 -10.290 1.558 1.00 0.00 C ATOM 763 O PHE A 50 4.691 -10.587 1.109 1.00 0.00 O ATOM 764 CB PHE A 50 2.730 -10.342 -0.781 1.00 0.00 C ATOM 765 CG PHE A 50 2.062 -11.390 -1.673 1.00 0.00 C ATOM 766 CD1 PHE A 50 0.748 -11.268 -1.999 1.00 0.00 C ATOM 767 CD2 PHE A 50 2.783 -12.444 -2.140 1.00 0.00 C ATOM 768 CE1 PHE A 50 0.128 -12.241 -2.828 1.00 0.00 C ATOM 769 CE2 PHE A 50 2.164 -13.417 -2.968 1.00 0.00 C ATOM 770 CZ PHE A 50 0.849 -13.295 -3.294 1.00 0.00 C ATOM 0 H PHE A 50 1.828 -8.446 1.126 1.00 0.00 H new ATOM 0 HA PHE A 50 1.866 -11.391 0.930 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.478 -9.349 -1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.812 -10.448 -0.861 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.175 -10.431 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.827 -12.541 -1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.916 -12.143 -3.088 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.737 -14.254 -3.339 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.378 -14.036 -3.923 1.00 0.00 H new ATOM 780 N ASP A 51 3.370 -9.835 2.784 1.00 0.00 N ATOM 781 CA ASP A 51 4.469 -9.648 3.716 1.00 0.00 C ATOM 782 C ASP A 51 5.639 -8.980 2.991 1.00 0.00 C ATOM 783 O ASP A 51 6.675 -9.605 2.770 1.00 0.00 O ATOM 784 CB ASP A 51 4.958 -10.989 4.267 1.00 0.00 C ATOM 785 CG ASP A 51 5.881 -10.891 5.483 1.00 0.00 C ATOM 786 OD1 ASP A 51 5.466 -11.149 6.622 1.00 0.00 O ATOM 787 OD2 ASP A 51 7.091 -10.527 5.221 1.00 0.00 O ATOM 0 H ASP A 51 2.451 -9.590 3.153 1.00 0.00 H new ATOM 0 HA ASP A 51 4.112 -9.029 4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 51 4.091 -11.592 4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.483 -11.521 3.473 1.00 0.00 H new ATOM 793 N THR A 52 5.434 -7.718 2.642 1.00 0.00 N ATOM 794 CA THR A 52 6.459 -6.959 1.946 1.00 0.00 C ATOM 795 C THR A 52 6.701 -5.622 2.650 1.00 0.00 C ATOM 796 O THR A 52 6.816 -4.585 1.998 1.00 0.00 O ATOM 797 CB THR A 52 6.027 -6.807 0.486 1.00 0.00 C ATOM 798 OG1 THR A 52 4.647 -7.164 0.494 1.00 0.00 O ATOM 799 CG2 THR A 52 6.676 -7.849 -0.427 1.00 0.00 C ATOM 0 H THR A 52 4.574 -7.203 2.828 1.00 0.00 H new ATOM 0 HA THR A 52 7.417 -7.479 1.963 1.00 0.00 H new ATOM 0 HB THR A 52 6.281 -5.807 0.134 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.285 -7.092 -0.414 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.336 -7.697 -1.452 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.760 -7.745 -0.385 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.395 -8.849 -0.096 1.00 0.00 H new ATOM 807 N GLU A 53 6.770 -5.689 3.971 1.00 0.00 N ATOM 808 CA GLU A 53 6.996 -4.497 4.770 1.00 0.00 C ATOM 809 C GLU A 53 7.865 -3.499 4.002 1.00 0.00 C ATOM 810 O GLU A 53 9.085 -3.648 3.944 1.00 0.00 O ATOM 811 CB GLU A 53 7.630 -4.851 6.117 1.00 0.00 C ATOM 812 CG GLU A 53 8.741 -5.889 5.944 1.00 0.00 C ATOM 813 CD GLU A 53 9.621 -5.963 7.194 1.00 0.00 C ATOM 814 OE1 GLU A 53 9.576 -6.964 7.925 1.00 0.00 O ATOM 815 OE2 GLU A 53 10.372 -4.934 7.393 1.00 0.00 O ATOM 0 H GLU A 53 6.673 -6.551 4.508 1.00 0.00 H new ATOM 0 HA GLU A 53 6.031 -4.031 4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.037 -3.951 6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.867 -5.239 6.792 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.302 -6.867 5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.352 -5.632 5.079 1.00 0.00 H new ATOM 823 N ILE A 54 7.203 -2.504 3.429 1.00 0.00 N ATOM 824 CA ILE A 54 7.900 -1.483 2.666 1.00 0.00 C ATOM 825 C ILE A 54 8.336 -0.358 3.607 1.00 0.00 C ATOM 826 O ILE A 54 7.544 0.118 4.420 1.00 0.00 O ATOM 827 CB ILE A 54 7.036 -1.006 1.497 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.517 -1.613 0.177 1.00 0.00 C ATOM 829 CG2 ILE A 54 6.986 0.522 1.439 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.851 -1.001 -0.255 1.00 0.00 C ATOM 0 H ILE A 54 6.191 -2.384 3.478 1.00 0.00 H new ATOM 0 HA ILE A 54 8.805 -1.893 2.218 1.00 0.00 H new ATOM 0 HB ILE A 54 6.017 -1.356 1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.627 -2.692 0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.769 -1.446 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.365 0.834 0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.562 0.908 2.366 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.995 0.914 1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.170 -1.450 -1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 54 8.732 0.074 -0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.603 -1.190 0.511 1.00 0.00 H new ATOM 842 N PRO A 55 9.627 0.044 3.463 1.00 0.00 N ATOM 843 CA PRO A 55 10.177 1.104 4.290 1.00 0.00 C ATOM 844 C PRO A 55 9.664 2.474 3.841 1.00 0.00 C ATOM 845 O PRO A 55 8.769 2.560 3.002 1.00 0.00 O ATOM 846 CB PRO A 55 11.685 0.963 4.159 1.00 0.00 C ATOM 847 CG PRO A 55 11.918 0.133 2.907 1.00 0.00 C ATOM 848 CD PRO A 55 10.593 -0.497 2.511 1.00 0.00 C ATOM 0 HA PRO A 55 9.871 1.024 5.333 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.163 1.939 4.075 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.109 0.475 5.036 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.299 0.759 2.100 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.666 -0.637 3.094 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.324 -0.242 1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.639 -1.585 2.568 1.00 0.00 H new ATOM 856 N ASP A 56 10.253 3.510 4.419 1.00 0.00 N ATOM 857 CA ASP A 56 9.866 4.871 4.089 1.00 0.00 C ATOM 858 C ASP A 56 10.743 5.382 2.944 1.00 0.00 C ATOM 859 O ASP A 56 10.423 6.388 2.313 1.00 0.00 O ATOM 860 CB ASP A 56 10.059 5.804 5.286 1.00 0.00 C ATOM 861 CG ASP A 56 8.821 6.610 5.684 1.00 0.00 C ATOM 862 OD1 ASP A 56 8.813 7.848 5.608 1.00 0.00 O ATOM 863 OD2 ASP A 56 7.820 5.906 6.091 1.00 0.00 O ATOM 0 H ASP A 56 10.996 3.434 5.114 1.00 0.00 H new ATOM 0 HA ASP A 56 8.814 4.863 3.804 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.378 5.210 6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.869 6.498 5.060 1.00 0.00 H new ATOM 869 N GLU A 57 11.833 4.666 2.711 1.00 0.00 N ATOM 870 CA GLU A 57 12.759 5.034 1.654 1.00 0.00 C ATOM 871 C GLU A 57 12.250 4.527 0.302 1.00 0.00 C ATOM 872 O GLU A 57 12.077 5.308 -0.632 1.00 0.00 O ATOM 873 CB GLU A 57 14.164 4.503 1.945 1.00 0.00 C ATOM 874 CG GLU A 57 15.226 5.554 1.615 1.00 0.00 C ATOM 875 CD GLU A 57 16.596 4.903 1.411 1.00 0.00 C ATOM 876 OE1 GLU A 57 16.929 3.930 2.104 1.00 0.00 O ATOM 877 OE2 GLU A 57 17.325 5.442 0.494 1.00 0.00 O ATOM 0 H GLU A 57 12.096 3.832 3.237 1.00 0.00 H new ATOM 0 HA GLU A 57 12.819 6.122 1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.240 4.221 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.345 3.602 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.939 6.096 0.714 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.283 6.285 2.422 1.00 0.00 H new ATOM 885 N GLU A 58 12.025 3.223 0.243 1.00 0.00 N ATOM 886 CA GLU A 58 11.540 2.602 -0.978 1.00 0.00 C ATOM 887 C GLU A 58 10.193 3.206 -1.381 1.00 0.00 C ATOM 888 O GLU A 58 9.831 3.195 -2.557 1.00 0.00 O ATOM 889 CB GLU A 58 11.435 1.084 -0.818 1.00 0.00 C ATOM 890 CG GLU A 58 12.442 0.367 -1.719 1.00 0.00 C ATOM 891 CD GLU A 58 12.047 0.493 -3.192 1.00 0.00 C ATOM 892 OE1 GLU A 58 11.433 -0.429 -3.750 1.00 0.00 O ATOM 893 OE2 GLU A 58 12.398 1.597 -3.758 1.00 0.00 O ATOM 0 H GLU A 58 12.170 2.579 1.021 1.00 0.00 H new ATOM 0 HA GLU A 58 12.258 2.801 -1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.613 0.811 0.222 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.425 0.758 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.436 0.789 -1.568 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.498 -0.686 -1.442 1.00 0.00 H new ATOM 901 N ALA A 59 9.488 3.717 -0.383 1.00 0.00 N ATOM 902 CA ALA A 59 8.189 4.324 -0.619 1.00 0.00 C ATOM 903 C ALA A 59 8.342 5.476 -1.615 1.00 0.00 C ATOM 904 O ALA A 59 7.587 5.570 -2.581 1.00 0.00 O ATOM 905 CB ALA A 59 7.589 4.780 0.712 1.00 0.00 C ATOM 0 H ALA A 59 9.791 3.723 0.591 1.00 0.00 H new ATOM 0 HA ALA A 59 7.501 3.600 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.615 5.235 0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.473 3.921 1.372 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.251 5.510 1.179 1.00 0.00 H new ATOM 911 N GLU A 60 9.323 6.324 -1.344 1.00 0.00 N ATOM 912 CA GLU A 60 9.585 7.465 -2.204 1.00 0.00 C ATOM 913 C GLU A 60 9.867 6.999 -3.633 1.00 0.00 C ATOM 914 O GLU A 60 9.602 7.726 -4.590 1.00 0.00 O ATOM 915 CB GLU A 60 10.743 8.306 -1.662 1.00 0.00 C ATOM 916 CG GLU A 60 10.246 9.333 -0.643 1.00 0.00 C ATOM 917 CD GLU A 60 11.415 10.102 -0.025 1.00 0.00 C ATOM 918 OE1 GLU A 60 12.363 10.467 -0.736 1.00 0.00 O ATOM 919 OE2 GLU A 60 11.315 10.319 1.243 1.00 0.00 O ATOM 0 H GLU A 60 9.946 6.244 -0.541 1.00 0.00 H new ATOM 0 HA GLU A 60 8.697 8.096 -2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.483 7.655 -1.196 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.242 8.817 -2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.563 10.031 -1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.682 8.829 0.142 1.00 0.00 H new ATOM 927 N LYS A 61 10.400 5.791 -3.734 1.00 0.00 N ATOM 928 CA LYS A 61 10.720 5.219 -5.030 1.00 0.00 C ATOM 929 C LYS A 61 9.464 4.581 -5.626 1.00 0.00 C ATOM 930 O LYS A 61 9.529 3.931 -6.669 1.00 0.00 O ATOM 931 CB LYS A 61 11.904 4.256 -4.914 1.00 0.00 C ATOM 932 CG LYS A 61 13.002 4.613 -5.918 1.00 0.00 C ATOM 933 CD LYS A 61 13.376 3.401 -6.774 1.00 0.00 C ATOM 934 CE LYS A 61 14.893 3.295 -6.941 1.00 0.00 C ATOM 935 NZ LYS A 61 15.296 3.722 -8.300 1.00 0.00 N ATOM 0 H LYS A 61 10.619 5.192 -2.938 1.00 0.00 H new ATOM 0 HA LYS A 61 11.040 5.999 -5.721 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.307 4.290 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.565 3.235 -5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 61 12.663 5.426 -6.560 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.883 4.973 -5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.993 2.492 -6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.904 3.483 -7.753 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.391 3.915 -6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.213 2.268 -6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.329 3.644 -8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.835 3.113 -9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.008 4.709 -8.453 1.00 0.00 H new ATOM 948 N ILE A 62 8.351 4.788 -4.939 1.00 0.00 N ATOM 949 CA ILE A 62 7.082 4.241 -5.387 1.00 0.00 C ATOM 950 C ILE A 62 5.971 5.260 -5.125 1.00 0.00 C ATOM 951 O ILE A 62 4.829 4.885 -4.862 1.00 0.00 O ATOM 952 CB ILE A 62 6.829 2.876 -4.743 1.00 0.00 C ATOM 953 CG1 ILE A 62 8.055 1.971 -4.876 1.00 0.00 C ATOM 954 CG2 ILE A 62 5.569 2.224 -5.316 1.00 0.00 C ATOM 955 CD1 ILE A 62 7.832 0.637 -4.162 1.00 0.00 C ATOM 0 H ILE A 62 8.301 5.327 -4.075 1.00 0.00 H new ATOM 0 HA ILE A 62 7.103 4.061 -6.462 1.00 0.00 H new ATOM 0 HB ILE A 62 6.656 3.028 -3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.267 1.792 -5.930 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.928 2.471 -4.456 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.412 1.255 -4.841 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.708 2.865 -5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.687 2.086 -6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.719 0.013 -4.272 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.645 0.818 -3.104 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.974 0.129 -4.601 1.00 0.00 H new ATOM 967 N THR A 63 6.344 6.529 -5.208 1.00 0.00 N ATOM 968 CA THR A 63 5.393 7.604 -4.983 1.00 0.00 C ATOM 969 C THR A 63 4.115 7.363 -5.788 1.00 0.00 C ATOM 970 O THR A 63 3.022 7.320 -5.226 1.00 0.00 O ATOM 971 CB THR A 63 6.086 8.926 -5.323 1.00 0.00 C ATOM 972 OG1 THR A 63 6.544 8.744 -6.660 1.00 0.00 O ATOM 973 CG2 THR A 63 7.368 9.140 -4.516 1.00 0.00 C ATOM 0 H THR A 63 7.291 6.836 -5.428 1.00 0.00 H new ATOM 0 HA THR A 63 5.079 7.643 -3.940 1.00 0.00 H new ATOM 0 HB THR A 63 5.400 9.753 -5.140 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.976 9.255 -7.273 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.819 10.092 -4.796 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.131 9.150 -3.452 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.068 8.331 -4.724 1.00 0.00 H new ATOM 981 N THR A 64 4.295 7.212 -7.092 1.00 0.00 N ATOM 982 CA THR A 64 3.170 6.977 -7.981 1.00 0.00 C ATOM 983 C THR A 64 2.313 5.820 -7.461 1.00 0.00 C ATOM 984 O THR A 64 2.633 5.217 -6.438 1.00 0.00 O ATOM 985 CB THR A 64 3.720 6.741 -9.389 1.00 0.00 C ATOM 986 OG1 THR A 64 4.438 5.515 -9.280 1.00 0.00 O ATOM 987 CG2 THR A 64 4.788 7.765 -9.779 1.00 0.00 C ATOM 0 H THR A 64 5.203 7.248 -7.554 1.00 0.00 H new ATOM 0 HA THR A 64 2.507 7.841 -8.017 1.00 0.00 H new ATOM 0 HB THR A 64 2.902 6.777 -10.109 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.062 4.859 -9.903 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.145 7.553 -10.787 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.359 8.767 -9.750 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.621 7.706 -9.079 1.00 0.00 H new ATOM 995 N VAL A 65 1.242 5.545 -8.191 1.00 0.00 N ATOM 996 CA VAL A 65 0.337 4.471 -7.817 1.00 0.00 C ATOM 997 C VAL A 65 0.693 3.211 -8.609 1.00 0.00 C ATOM 998 O VAL A 65 0.702 2.111 -8.059 1.00 0.00 O ATOM 999 CB VAL A 65 -1.113 4.915 -8.019 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -1.672 4.378 -9.338 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -1.987 4.487 -6.839 1.00 0.00 C ATOM 0 H VAL A 65 0.981 6.047 -9.039 1.00 0.00 H new ATOM 0 HA VAL A 65 0.445 4.231 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.126 6.004 -8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.704 4.708 -9.457 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.073 4.754 -10.167 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.638 3.289 -9.331 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.013 4.815 -7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.964 3.401 -6.744 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.608 4.939 -5.923 1.00 0.00 H new ATOM 1011 N GLN A 66 0.978 3.415 -9.886 1.00 0.00 N ATOM 1012 CA GLN A 66 1.333 2.309 -10.759 1.00 0.00 C ATOM 1013 C GLN A 66 2.705 1.749 -10.375 1.00 0.00 C ATOM 1014 O GLN A 66 3.130 0.722 -10.902 1.00 0.00 O ATOM 1015 CB GLN A 66 1.309 2.739 -12.227 1.00 0.00 C ATOM 1016 CG GLN A 66 1.261 1.522 -13.154 1.00 0.00 C ATOM 1017 CD GLN A 66 -0.143 1.326 -13.730 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -0.521 1.919 -14.727 1.00 0.00 O ATOM 1019 NE2 GLN A 66 -0.892 0.465 -13.048 1.00 0.00 N ATOM 0 H GLN A 66 0.970 4.330 -10.338 1.00 0.00 H new ATOM 0 HA GLN A 66 0.591 1.520 -10.633 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.442 3.374 -12.410 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.194 3.336 -12.450 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.976 1.651 -13.966 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.560 0.630 -12.604 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.513 0.003 -12.221 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.845 0.267 -13.351 1.00 0.00 H new ATOM 1028 N ALA A 67 3.358 2.449 -9.459 1.00 0.00 N ATOM 1029 CA ALA A 67 4.673 2.034 -8.998 1.00 0.00 C ATOM 1030 C ALA A 67 4.528 0.812 -8.090 1.00 0.00 C ATOM 1031 O ALA A 67 5.411 -0.043 -8.048 1.00 0.00 O ATOM 1032 CB ALA A 67 5.359 3.206 -8.294 1.00 0.00 C ATOM 0 H ALA A 67 3.002 3.300 -9.024 1.00 0.00 H new ATOM 0 HA ALA A 67 5.302 1.745 -9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.345 2.896 -7.948 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.464 4.038 -8.991 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.758 3.521 -7.441 1.00 0.00 H new ATOM 1038 N ALA A 68 3.407 0.768 -7.384 1.00 0.00 N ATOM 1039 CA ALA A 68 3.135 -0.336 -6.479 1.00 0.00 C ATOM 1040 C ALA A 68 2.505 -1.489 -7.263 1.00 0.00 C ATOM 1041 O ALA A 68 2.013 -2.449 -6.672 1.00 0.00 O ATOM 1042 CB ALA A 68 2.242 0.150 -5.336 1.00 0.00 C ATOM 0 H ALA A 68 2.677 1.479 -7.421 1.00 0.00 H new ATOM 0 HA ALA A 68 4.059 -0.706 -6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.038 -0.678 -4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.748 0.948 -4.793 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.303 0.526 -5.742 1.00 0.00 H new ATOM 1048 N ILE A 69 2.539 -1.355 -8.580 1.00 0.00 N ATOM 1049 CA ILE A 69 1.977 -2.374 -9.451 1.00 0.00 C ATOM 1050 C ILE A 69 3.099 -3.014 -10.270 1.00 0.00 C ATOM 1051 O ILE A 69 3.069 -4.214 -10.539 1.00 0.00 O ATOM 1052 CB ILE A 69 0.851 -1.788 -10.304 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.463 -1.740 -9.520 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.704 -2.553 -11.621 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.908 -0.295 -9.284 1.00 0.00 C ATOM 0 H ILE A 69 2.947 -0.556 -9.066 1.00 0.00 H new ATOM 0 HA ILE A 69 1.519 -3.168 -8.862 1.00 0.00 H new ATOM 0 HB ILE A 69 1.114 -0.761 -10.556 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.237 -2.278 -10.067 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.338 -2.247 -8.563 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.104 -2.115 -12.208 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.636 -2.492 -12.183 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.475 -3.598 -11.411 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.844 -0.289 -8.725 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.143 0.233 -8.716 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.055 0.202 -10.243 1.00 0.00 H new ATOM 1067 N ASP A 70 4.063 -2.185 -10.644 1.00 0.00 N ATOM 1068 CA ASP A 70 5.193 -2.656 -11.427 1.00 0.00 C ATOM 1069 C ASP A 70 6.113 -3.493 -10.536 1.00 0.00 C ATOM 1070 O ASP A 70 6.705 -4.469 -10.992 1.00 0.00 O ATOM 1071 CB ASP A 70 6.007 -1.484 -11.978 1.00 0.00 C ATOM 1072 CG ASP A 70 6.524 -1.670 -13.406 1.00 0.00 C ATOM 1073 OD1 ASP A 70 5.945 -2.425 -14.201 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.582 -0.991 -13.696 1.00 0.00 O ATOM 0 H ASP A 70 4.085 -1.190 -10.419 1.00 0.00 H new ATOM 0 HA ASP A 70 4.805 -3.248 -12.256 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.390 -0.586 -11.945 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.858 -1.311 -11.319 1.00 0.00 H new ATOM 1080 N TYR A 71 6.203 -3.080 -9.280 1.00 0.00 N ATOM 1081 CA TYR A 71 7.040 -3.780 -8.320 1.00 0.00 C ATOM 1082 C TYR A 71 6.374 -5.076 -7.854 1.00 0.00 C ATOM 1083 O TYR A 71 7.048 -6.084 -7.645 1.00 0.00 O ATOM 1084 CB TYR A 71 7.188 -2.837 -7.124 1.00 0.00 C ATOM 1085 CG TYR A 71 8.598 -2.801 -6.532 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.563 -1.991 -7.097 1.00 0.00 C ATOM 1087 CD2 TYR A 71 8.905 -3.576 -5.432 1.00 0.00 C ATOM 1088 CE1 TYR A 71 10.890 -1.957 -6.539 1.00 0.00 C ATOM 1089 CE2 TYR A 71 10.233 -3.541 -4.875 1.00 0.00 C ATOM 1090 CZ TYR A 71 11.159 -2.733 -5.456 1.00 0.00 C ATOM 1091 OH TYR A 71 12.413 -2.701 -4.929 1.00 0.00 O ATOM 0 H TYR A 71 5.710 -2.270 -8.905 1.00 0.00 H new ATOM 0 HA TYR A 71 7.999 -4.043 -8.766 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.908 -1.829 -7.432 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.486 -3.139 -6.347 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.323 -1.383 -7.957 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.150 -4.208 -4.989 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.655 -1.329 -6.971 1.00 0.00 H new ATOM 0 HE2 TYR A 71 10.487 -4.143 -4.015 1.00 0.00 H new ATOM 0 HH TYR A 71 12.504 -1.916 -4.350 1.00 0.00 H new ATOM 1101 N ILE A 72 5.060 -5.008 -7.705 1.00 0.00 N ATOM 1102 CA ILE A 72 4.295 -6.164 -7.267 1.00 0.00 C ATOM 1103 C ILE A 72 4.181 -7.161 -8.422 1.00 0.00 C ATOM 1104 O ILE A 72 4.168 -8.371 -8.203 1.00 0.00 O ATOM 1105 CB ILE A 72 2.945 -5.728 -6.695 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.121 -4.606 -5.669 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.185 -6.922 -6.114 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.867 -5.107 -4.431 1.00 0.00 C ATOM 0 H ILE A 72 4.505 -4.170 -7.880 1.00 0.00 H new ATOM 0 HA ILE A 72 4.809 -6.675 -6.453 1.00 0.00 H new ATOM 0 HB ILE A 72 2.342 -5.328 -7.510 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.671 -3.779 -6.119 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.145 -4.218 -5.378 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.229 -6.585 -5.714 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.011 -7.659 -6.898 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.773 -7.374 -5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.979 -4.290 -3.718 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.303 -5.917 -3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.852 -5.471 -4.722 1.00 0.00 H new ATOM 1120 N ASN A 73 4.100 -6.616 -9.627 1.00 0.00 N ATOM 1121 CA ASN A 73 3.987 -7.442 -10.816 1.00 0.00 C ATOM 1122 C ASN A 73 5.051 -8.541 -10.772 1.00 0.00 C ATOM 1123 O ASN A 73 4.851 -9.626 -11.315 1.00 0.00 O ATOM 1124 CB ASN A 73 4.213 -6.616 -12.085 1.00 0.00 C ATOM 1125 CG ASN A 73 3.157 -6.939 -13.144 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.357 -7.755 -14.028 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.025 -6.254 -13.006 1.00 0.00 N ATOM 0 H ASN A 73 4.110 -5.612 -9.805 1.00 0.00 H new ATOM 0 HA ASN A 73 2.984 -7.867 -10.836 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.178 -5.554 -11.843 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.207 -6.819 -12.483 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.259 -6.398 -13.664 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.923 -5.585 -12.243 1.00 0.00 H new ATOM 1134 N GLY A 74 6.159 -8.221 -10.120 1.00 0.00 N ATOM 1135 CA GLY A 74 7.255 -9.167 -9.997 1.00 0.00 C ATOM 1136 C GLY A 74 6.751 -10.530 -9.519 1.00 0.00 C ATOM 1137 O GLY A 74 7.416 -11.546 -9.718 1.00 0.00 O ATOM 0 H GLY A 74 6.321 -7.320 -9.671 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.755 -9.277 -10.959 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.995 -8.782 -9.295 1.00 0.00 H new ATOM 1141 N HIS A 75 5.582 -10.509 -8.898 1.00 0.00 N ATOM 1142 CA HIS A 75 4.981 -11.730 -8.390 1.00 0.00 C ATOM 1143 C HIS A 75 4.902 -12.768 -9.511 1.00 0.00 C ATOM 1144 O HIS A 75 5.388 -13.889 -9.360 1.00 0.00 O ATOM 1145 CB HIS A 75 3.621 -11.443 -7.751 1.00 0.00 C ATOM 1146 CG HIS A 75 2.641 -12.588 -7.850 1.00 0.00 C ATOM 1147 ND1 HIS A 75 3.029 -13.914 -7.778 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.288 -12.591 -8.015 1.00 0.00 C ATOM 1149 CE1 HIS A 75 1.950 -14.673 -7.897 1.00 0.00 C ATOM 1150 NE2 HIS A 75 0.871 -13.851 -8.044 1.00 0.00 N ATOM 0 H HIS A 75 5.034 -9.664 -8.735 1.00 0.00 H new ATOM 0 HA HIS A 75 5.607 -12.145 -7.600 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.770 -11.196 -6.700 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.186 -10.564 -8.227 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.984 -14.250 -7.654 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.661 -11.716 -8.107 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.928 -15.753 -7.881 1.00 0.00 H new ATOM 1158 N GLN A 76 4.287 -12.359 -10.611 1.00 0.00 N ATOM 1159 CA GLN A 76 4.139 -13.239 -11.757 1.00 0.00 C ATOM 1160 C GLN A 76 5.375 -13.155 -12.655 1.00 0.00 C ATOM 1161 O GLN A 76 5.617 -14.045 -13.468 1.00 0.00 O ATOM 1162 CB GLN A 76 2.868 -12.908 -12.542 1.00 0.00 C ATOM 1163 CG GLN A 76 3.032 -11.605 -13.327 1.00 0.00 C ATOM 1164 CD GLN A 76 1.940 -10.600 -12.956 1.00 0.00 C ATOM 1165 OE1 GLN A 76 2.400 -9.480 -12.404 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 0.758 -10.826 -13.157 1.00 0.00 N flip ATOM 0 H GLN A 76 3.885 -11.429 -10.733 1.00 0.00 H new ATOM 0 HA GLN A 76 4.047 -14.263 -11.394 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.637 -13.723 -13.228 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.025 -12.820 -11.856 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.012 -11.174 -13.123 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.992 -11.813 -14.396 1.00 0.00 H new ATOM 0 HE21 GLN A 76 0.473 -11.707 -13.585 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.055 -10.134 -12.897 1.00 0.00 H new