USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 40 THR OG1 : rot -30:sc= 0.291 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc=-0.00184 K(o=-0.0018,f=-1.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.8!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 134:sc= -0.0572 (180deg=-0.464) USER MOD Single : A 60 SER OG : rot 72:sc= 0.127 USER MOD Single : A 61 GLN : amide:sc= -0.0396 K(o=-0.04,f=-1.4!) USER MOD Single : A 65 TYR OH : rot 180:sc=-0.00358 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -1.9! C(o=-1.9!,f=-3.3!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.143 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -7.76! C(o=-7.8!,f=-7.7!) USER MOD Single : A 85 THR OG1 : rot -110:sc= -1.64 USER MOD Single : A 88 GLN : amide:sc= -2.63! C(o=-2.6!,f=-4.7!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -2.94! C(o=-2.9!,f=-3.5!) USER MOD Single : A 98 LYS NZ :NH3+ 134:sc= -0.124 (180deg=-0.799) USER MOD Single : A 99 ASN : amide:sc= -0.0162 K(o=-0.016,f=-1.7!) USER MOD Single : A 103 ASN : amide:sc= -0.155 K(o=-0.16,f=-1.6!) USER MOD Single : A 105 LYS NZ :NH3+ -159:sc= -0.0782 (180deg=-0.708) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 40 -55.995 -6.869 -3.107 1.00 0.00 N ATOM 2 CA THR A 40 -55.731 -5.840 -2.062 1.00 0.00 C ATOM 3 C THR A 40 -56.276 -6.325 -0.724 1.00 0.00 C ATOM 4 O THR A 40 -55.931 -5.788 0.329 1.00 0.00 O ATOM 5 CB THR A 40 -56.410 -4.527 -2.459 1.00 0.00 C ATOM 6 OG1 THR A 40 -57.763 -4.782 -2.807 1.00 0.00 O ATOM 7 CG2 THR A 40 -55.680 -3.914 -3.656 1.00 0.00 C ATOM 0 HA THR A 40 -54.657 -5.674 -1.971 1.00 0.00 H new ATOM 0 HB THR A 40 -56.375 -3.832 -1.620 1.00 0.00 H new ATOM 0 HG1 THR A 40 -57.841 -5.687 -3.175 1.00 0.00 H new ATOM 0 HG21 THR A 40 -56.164 -2.979 -3.938 1.00 0.00 H new ATOM 0 HG22 THR A 40 -54.642 -3.718 -3.388 1.00 0.00 H new ATOM 0 HG23 THR A 40 -55.713 -4.607 -4.496 1.00 0.00 H new ATOM 14 N LYS A 41 -57.129 -7.344 -0.772 1.00 0.00 N ATOM 15 CA LYS A 41 -57.713 -7.891 0.447 1.00 0.00 C ATOM 16 C LYS A 41 -56.621 -8.455 1.350 1.00 0.00 C ATOM 17 O LYS A 41 -56.654 -8.276 2.567 1.00 0.00 O ATOM 18 CB LYS A 41 -58.710 -8.998 0.095 1.00 0.00 C ATOM 19 CG LYS A 41 -59.939 -8.384 -0.577 1.00 0.00 C ATOM 20 CD LYS A 41 -60.933 -9.493 -0.933 1.00 0.00 C ATOM 21 CE LYS A 41 -62.165 -8.878 -1.601 1.00 0.00 C ATOM 22 NZ LYS A 41 -63.129 -9.960 -1.955 1.00 0.00 N ATOM 0 H LYS A 41 -57.428 -7.803 -1.632 1.00 0.00 H new ATOM 0 HA LYS A 41 -58.232 -7.091 0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -58.243 -9.724 -0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -59.006 -9.536 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -60.408 -7.661 0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -59.643 -7.844 -1.476 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -60.465 -10.214 -1.603 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -61.226 -10.036 -0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -62.637 -8.161 -0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -61.871 -8.330 -2.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -63.967 -9.544 -2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -62.676 -10.628 -2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -63.417 -10.464 -1.092 1.00 0.00 H new ATOM 36 N GLN A 42 -55.647 -9.125 0.741 1.00 0.00 N ATOM 37 CA GLN A 42 -54.540 -9.703 1.492 1.00 0.00 C ATOM 38 C GLN A 42 -53.611 -8.604 2.002 1.00 0.00 C ATOM 39 O GLN A 42 -52.791 -8.833 2.890 1.00 0.00 O ATOM 40 CB GLN A 42 -53.760 -10.680 0.607 1.00 0.00 C ATOM 41 CG GLN A 42 -53.074 -9.924 -0.535 1.00 0.00 C ATOM 42 CD GLN A 42 -52.421 -10.913 -1.493 1.00 0.00 C ATOM 43 OE1 GLN A 42 -52.701 -12.111 -1.437 1.00 0.00 O ATOM 44 NE2 GLN A 42 -51.562 -10.483 -2.377 1.00 0.00 N ATOM 0 H GLN A 42 -55.603 -9.280 -0.266 1.00 0.00 H new ATOM 0 HA GLN A 42 -54.944 -10.243 2.348 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -53.015 -11.208 1.203 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -54.435 -11.433 0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -53.803 -9.315 -1.069 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -52.323 -9.244 -0.133 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -51.331 -9.491 -2.423 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -51.122 -11.139 -3.022 1.00 0.00 H new ATOM 53 N LYS A 43 -53.753 -7.412 1.429 1.00 0.00 N ATOM 54 CA LYS A 43 -52.924 -6.275 1.824 1.00 0.00 C ATOM 55 C LYS A 43 -51.486 -6.726 2.062 1.00 0.00 C ATOM 56 O LYS A 43 -50.984 -7.615 1.375 1.00 0.00 O ATOM 57 CB LYS A 43 -53.486 -5.640 3.102 1.00 0.00 C ATOM 58 CG LYS A 43 -53.157 -4.140 3.137 1.00 0.00 C ATOM 59 CD LYS A 43 -54.200 -3.349 2.336 1.00 0.00 C ATOM 60 CE LYS A 43 -53.916 -1.852 2.478 1.00 0.00 C ATOM 61 NZ LYS A 43 -54.930 -1.077 1.708 1.00 0.00 N ATOM 0 H LYS A 43 -54.430 -7.208 0.694 1.00 0.00 H new ATOM 0 HA LYS A 43 -52.934 -5.538 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -54.566 -5.784 3.144 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -53.064 -6.133 3.978 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -53.137 -3.789 4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -52.163 -3.969 2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -54.166 -3.639 1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -55.203 -3.577 2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -53.944 -1.564 3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -52.915 -1.625 2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -54.736 -0.060 1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -54.882 -1.344 0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -55.880 -1.285 2.077 1.00 0.00 H new ATOM 75 N GLU A 44 -50.829 -6.115 3.043 1.00 0.00 N ATOM 76 CA GLU A 44 -49.453 -6.473 3.363 1.00 0.00 C ATOM 77 C GLU A 44 -49.241 -6.467 4.874 1.00 0.00 C ATOM 78 O GLU A 44 -49.584 -5.499 5.554 1.00 0.00 O ATOM 79 CB GLU A 44 -48.486 -5.487 2.701 1.00 0.00 C ATOM 80 CG GLU A 44 -47.043 -5.928 2.963 1.00 0.00 C ATOM 81 CD GLU A 44 -46.073 -4.979 2.267 1.00 0.00 C ATOM 82 OE1 GLU A 44 -46.540 -4.051 1.628 1.00 0.00 O ATOM 83 OE2 GLU A 44 -44.878 -5.192 2.387 1.00 0.00 O ATOM 0 H GLU A 44 -51.224 -5.376 3.625 1.00 0.00 H new ATOM 0 HA GLU A 44 -49.258 -7.476 2.983 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -48.674 -5.442 1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -48.647 -4.484 3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -46.847 -5.940 4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -46.893 -6.945 2.600 1.00 0.00 H new ATOM 90 N ALA A 45 -48.675 -7.552 5.393 1.00 0.00 N ATOM 91 CA ALA A 45 -48.423 -7.660 6.826 1.00 0.00 C ATOM 92 C ALA A 45 -47.451 -6.580 7.291 1.00 0.00 C ATOM 93 O ALA A 45 -47.619 -6.005 8.369 1.00 0.00 O ATOM 94 CB ALA A 45 -47.847 -9.039 7.150 1.00 0.00 C ATOM 0 H ALA A 45 -48.384 -8.363 4.848 1.00 0.00 H new ATOM 0 HA ALA A 45 -49.369 -7.525 7.350 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -47.661 -9.113 8.221 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -48.558 -9.810 6.851 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -46.911 -9.179 6.609 1.00 0.00 H new ATOM 100 N VAL A 46 -46.427 -6.320 6.482 1.00 0.00 N ATOM 101 CA VAL A 46 -45.421 -5.319 6.830 1.00 0.00 C ATOM 102 C VAL A 46 -45.538 -4.084 5.941 1.00 0.00 C ATOM 103 O VAL A 46 -45.453 -4.173 4.717 1.00 0.00 O ATOM 104 CB VAL A 46 -44.023 -5.917 6.683 1.00 0.00 C ATOM 105 CG1 VAL A 46 -42.974 -4.856 7.025 1.00 0.00 C ATOM 106 CG2 VAL A 46 -43.873 -7.106 7.635 1.00 0.00 C ATOM 0 H VAL A 46 -46.272 -6.784 5.587 1.00 0.00 H new ATOM 0 HA VAL A 46 -45.590 -5.018 7.864 1.00 0.00 H new ATOM 0 HB VAL A 46 -43.879 -6.253 5.656 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -41.977 -5.283 6.920 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -43.079 -4.009 6.347 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -43.118 -4.519 8.052 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -42.875 -7.533 7.530 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -44.018 -6.770 8.662 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -44.619 -7.863 7.392 1.00 0.00 H new ATOM 116 N ASN A 47 -45.721 -2.930 6.574 1.00 0.00 N ATOM 117 CA ASN A 47 -45.838 -1.673 5.844 1.00 0.00 C ATOM 118 C ASN A 47 -44.455 -1.096 5.561 1.00 0.00 C ATOM 119 O ASN A 47 -43.471 -1.482 6.194 1.00 0.00 O ATOM 120 CB ASN A 47 -46.655 -0.669 6.660 1.00 0.00 C ATOM 121 CG ASN A 47 -48.115 -1.104 6.710 1.00 0.00 C ATOM 122 OD1 ASN A 47 -48.562 -1.881 5.865 1.00 0.00 O ATOM 123 ND2 ASN A 47 -48.891 -0.647 7.655 1.00 0.00 N ATOM 0 H ASN A 47 -45.791 -2.839 7.588 1.00 0.00 H new ATOM 0 HA ASN A 47 -46.344 -1.865 4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -46.254 -0.597 7.671 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -46.577 0.323 6.215 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -49.869 -0.933 7.695 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -48.519 -0.004 8.354 1.00 0.00 H new ATOM 130 N ASP A 48 -44.380 -0.174 4.607 1.00 0.00 N ATOM 131 CA ASP A 48 -43.103 0.436 4.260 1.00 0.00 C ATOM 132 C ASP A 48 -42.478 1.072 5.499 1.00 0.00 C ATOM 133 O ASP A 48 -43.162 1.731 6.281 1.00 0.00 O ATOM 134 CB ASP A 48 -43.304 1.500 3.179 1.00 0.00 C ATOM 135 CG ASP A 48 -43.630 0.834 1.847 1.00 0.00 C ATOM 136 OD1 ASP A 48 -43.445 -0.368 1.748 1.00 0.00 O ATOM 137 OD2 ASP A 48 -44.060 1.535 0.946 1.00 0.00 O ATOM 0 H ASP A 48 -45.177 0.163 4.067 1.00 0.00 H new ATOM 0 HA ASP A 48 -42.436 -0.337 3.877 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -44.112 2.174 3.466 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -42.403 2.106 3.081 1.00 0.00 H new ATOM 142 N LYS A 49 -41.179 0.853 5.680 1.00 0.00 N ATOM 143 CA LYS A 49 -40.479 1.394 6.840 1.00 0.00 C ATOM 144 C LYS A 49 -39.779 2.709 6.509 1.00 0.00 C ATOM 145 O LYS A 49 -39.195 3.342 7.388 1.00 0.00 O ATOM 146 CB LYS A 49 -39.448 0.382 7.340 1.00 0.00 C ATOM 147 CG LYS A 49 -40.168 -0.885 7.817 1.00 0.00 C ATOM 148 CD LYS A 49 -39.156 -2.004 8.102 1.00 0.00 C ATOM 149 CE LYS A 49 -38.340 -1.683 9.360 1.00 0.00 C ATOM 150 NZ LYS A 49 -37.502 -2.861 9.718 1.00 0.00 N ATOM 0 H LYS A 49 -40.594 0.310 5.045 1.00 0.00 H new ATOM 0 HA LYS A 49 -41.219 1.588 7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -38.747 0.137 6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -38.866 0.812 8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -40.741 -0.667 8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -40.879 -1.214 7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -39.679 -2.951 8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -38.488 -2.124 7.249 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -37.708 -0.812 9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -39.006 -1.432 10.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -36.947 -2.646 10.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -38.115 -3.681 9.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -36.857 -3.080 8.932 1.00 0.00 H new ATOM 164 N GLY A 50 -39.821 3.110 5.244 1.00 0.00 N ATOM 165 CA GLY A 50 -39.161 4.344 4.832 1.00 0.00 C ATOM 166 C GLY A 50 -37.728 4.058 4.396 1.00 0.00 C ATOM 167 O GLY A 50 -36.949 4.975 4.132 1.00 0.00 O ATOM 0 H GLY A 50 -40.298 2.608 4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -39.713 4.803 4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -39.162 5.058 5.656 1.00 0.00 H new ATOM 171 N LYS A 51 -37.395 2.774 4.321 1.00 0.00 N ATOM 172 CA LYS A 51 -36.060 2.351 3.913 1.00 0.00 C ATOM 173 C LYS A 51 -36.070 1.927 2.449 1.00 0.00 C ATOM 174 O LYS A 51 -35.233 1.135 2.014 1.00 0.00 O ATOM 175 CB LYS A 51 -35.587 1.186 4.785 1.00 0.00 C ATOM 176 CG LYS A 51 -35.415 1.665 6.228 1.00 0.00 C ATOM 177 CD LYS A 51 -34.938 0.501 7.098 1.00 0.00 C ATOM 178 CE LYS A 51 -34.764 0.978 8.541 1.00 0.00 C ATOM 179 NZ LYS A 51 -34.305 -0.160 9.388 1.00 0.00 N ATOM 0 H LYS A 51 -38.032 2.007 4.538 1.00 0.00 H new ATOM 0 HA LYS A 51 -35.375 3.189 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -36.310 0.371 4.745 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -34.643 0.794 4.406 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -34.694 2.482 6.268 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -36.359 2.054 6.608 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -35.659 -0.315 7.058 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -33.994 0.111 6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -34.039 1.791 8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -35.707 1.372 8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -34.186 0.163 10.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -35.012 -0.922 9.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -33.396 -0.516 9.029 1.00 0.00 H new ATOM 193 N ALA A 52 -37.031 2.455 1.698 1.00 0.00 N ATOM 194 CA ALA A 52 -37.159 2.124 0.284 1.00 0.00 C ATOM 195 C ALA A 52 -35.890 2.498 -0.474 1.00 0.00 C ATOM 196 O ALA A 52 -35.608 1.944 -1.537 1.00 0.00 O ATOM 197 CB ALA A 52 -38.352 2.867 -0.319 1.00 0.00 C ATOM 0 H ALA A 52 -37.730 3.112 2.044 1.00 0.00 H new ATOM 0 HA ALA A 52 -37.316 1.049 0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -38.441 2.615 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -39.264 2.575 0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -38.202 3.942 -0.214 1.00 0.00 H new ATOM 203 N ALA A 53 -35.127 3.438 0.073 1.00 0.00 N ATOM 204 CA ALA A 53 -33.893 3.865 -0.574 1.00 0.00 C ATOM 205 C ALA A 53 -32.984 2.662 -0.811 1.00 0.00 C ATOM 206 O ALA A 53 -32.890 1.767 0.028 1.00 0.00 O ATOM 207 CB ALA A 53 -33.170 4.891 0.301 1.00 0.00 C ATOM 0 H ALA A 53 -35.337 3.913 0.951 1.00 0.00 H new ATOM 0 HA ALA A 53 -34.139 4.322 -1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -32.249 5.204 -0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -33.813 5.758 0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -32.932 4.443 1.266 1.00 0.00 H new ATOM 213 N VAL A 54 -32.330 2.643 -1.967 1.00 0.00 N ATOM 214 CA VAL A 54 -31.444 1.537 -2.316 1.00 0.00 C ATOM 215 C VAL A 54 -30.161 1.578 -1.487 1.00 0.00 C ATOM 216 O VAL A 54 -29.597 2.643 -1.235 1.00 0.00 O ATOM 217 CB VAL A 54 -31.112 1.582 -3.809 1.00 0.00 C ATOM 218 CG1 VAL A 54 -30.148 0.444 -4.151 1.00 0.00 C ATOM 219 CG2 VAL A 54 -32.398 1.416 -4.620 1.00 0.00 C ATOM 0 H VAL A 54 -32.395 3.375 -2.674 1.00 0.00 H new ATOM 0 HA VAL A 54 -31.960 0.603 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 54 -30.648 2.538 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -29.911 0.475 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -29.232 0.557 -3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -30.614 -0.512 -3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -32.164 1.448 -5.684 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -32.859 0.458 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -33.089 2.223 -4.376 1.00 0.00 H new ATOM 229 N VAL A 55 -29.724 0.401 -1.052 1.00 0.00 N ATOM 230 CA VAL A 55 -28.521 0.268 -0.231 1.00 0.00 C ATOM 231 C VAL A 55 -27.320 0.990 -0.849 1.00 0.00 C ATOM 232 O VAL A 55 -26.273 1.109 -0.213 1.00 0.00 O ATOM 233 CB VAL A 55 -28.188 -1.217 -0.053 1.00 0.00 C ATOM 234 CG1 VAL A 55 -27.717 -1.796 -1.390 1.00 0.00 C ATOM 235 CG2 VAL A 55 -27.075 -1.383 0.988 1.00 0.00 C ATOM 0 H VAL A 55 -30.189 -0.484 -1.256 1.00 0.00 H new ATOM 0 HA VAL A 55 -28.725 0.731 0.735 1.00 0.00 H new ATOM 0 HB VAL A 55 -29.080 -1.744 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -27.480 -2.853 -1.266 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -28.508 -1.687 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -26.828 -1.261 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -26.844 -2.441 1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -26.183 -0.853 0.654 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -27.405 -0.973 1.942 1.00 0.00 H new ATOM 245 N LYS A 56 -27.458 1.454 -2.086 1.00 0.00 N ATOM 246 CA LYS A 56 -26.349 2.137 -2.748 1.00 0.00 C ATOM 247 C LYS A 56 -25.761 3.218 -1.847 1.00 0.00 C ATOM 248 O LYS A 56 -24.577 3.540 -1.944 1.00 0.00 O ATOM 249 CB LYS A 56 -26.814 2.764 -4.068 1.00 0.00 C ATOM 250 CG LYS A 56 -27.847 3.862 -3.792 1.00 0.00 C ATOM 251 CD LYS A 56 -28.356 4.427 -5.119 1.00 0.00 C ATOM 252 CE LYS A 56 -29.436 5.477 -4.844 1.00 0.00 C ATOM 253 NZ LYS A 56 -28.845 6.609 -4.079 1.00 0.00 N ATOM 0 H LYS A 56 -28.309 1.373 -2.643 1.00 0.00 H new ATOM 0 HA LYS A 56 -25.578 1.396 -2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -25.961 3.182 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -27.248 1.998 -4.711 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -28.678 3.458 -3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -27.399 4.656 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -27.533 4.874 -5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -28.761 3.625 -5.737 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -29.854 5.838 -5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -30.256 5.032 -4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -29.151 7.510 -4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -29.163 6.563 -3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -27.807 6.546 -4.112 1.00 0.00 H new ATOM 267 N VAL A 57 -26.585 3.771 -0.963 1.00 0.00 N ATOM 268 CA VAL A 57 -26.113 4.806 -0.050 1.00 0.00 C ATOM 269 C VAL A 57 -25.012 4.246 0.844 1.00 0.00 C ATOM 270 O VAL A 57 -23.964 4.866 1.026 1.00 0.00 O ATOM 271 CB VAL A 57 -27.269 5.311 0.815 1.00 0.00 C ATOM 272 CG1 VAL A 57 -26.723 6.223 1.914 1.00 0.00 C ATOM 273 CG2 VAL A 57 -28.251 6.099 -0.057 1.00 0.00 C ATOM 0 H VAL A 57 -27.569 3.525 -0.859 1.00 0.00 H new ATOM 0 HA VAL A 57 -25.716 5.636 -0.635 1.00 0.00 H new ATOM 0 HB VAL A 57 -27.782 4.462 1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -27.547 6.583 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -26.022 5.665 2.535 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -26.211 7.072 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -29.075 6.460 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -27.737 6.948 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -28.641 5.451 -0.842 1.00 0.00 H new ATOM 283 N VAL A 58 -25.259 3.060 1.388 1.00 0.00 N ATOM 284 CA VAL A 58 -24.291 2.397 2.253 1.00 0.00 C ATOM 285 C VAL A 58 -23.026 2.046 1.476 1.00 0.00 C ATOM 286 O VAL A 58 -21.914 2.170 1.987 1.00 0.00 O ATOM 287 CB VAL A 58 -24.900 1.123 2.840 1.00 0.00 C ATOM 288 CG1 VAL A 58 -23.812 0.321 3.556 1.00 0.00 C ATOM 289 CG2 VAL A 58 -25.996 1.497 3.839 1.00 0.00 C ATOM 0 H VAL A 58 -26.123 2.537 1.245 1.00 0.00 H new ATOM 0 HA VAL A 58 -24.029 3.080 3.061 1.00 0.00 H new ATOM 0 HB VAL A 58 -25.327 0.521 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -24.245 -0.587 3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -23.029 0.055 2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -23.385 0.923 4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -26.431 0.590 4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -25.568 2.098 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -26.772 2.070 3.331 1.00 0.00 H new ATOM 299 N GLU A 59 -23.212 1.584 0.242 1.00 0.00 N ATOM 300 CA GLU A 59 -22.088 1.191 -0.597 1.00 0.00 C ATOM 301 C GLU A 59 -21.144 2.363 -0.856 1.00 0.00 C ATOM 302 O GLU A 59 -19.927 2.192 -0.858 1.00 0.00 O ATOM 303 CB GLU A 59 -22.602 0.646 -1.931 1.00 0.00 C ATOM 304 CG GLU A 59 -23.276 -0.708 -1.701 1.00 0.00 C ATOM 305 CD GLU A 59 -23.945 -1.183 -2.985 1.00 0.00 C ATOM 306 OE1 GLU A 59 -24.057 -0.387 -3.902 1.00 0.00 O ATOM 307 OE2 GLU A 59 -24.336 -2.338 -3.035 1.00 0.00 O ATOM 0 H GLU A 59 -24.127 1.474 -0.196 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.532 0.417 -0.068 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -23.310 1.346 -2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.777 0.539 -2.635 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -22.538 -1.440 -1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.016 -0.624 -0.905 1.00 0.00 H new ATOM 314 N SER A 60 -21.702 3.551 -1.076 1.00 0.00 N ATOM 315 CA SER A 60 -20.876 4.727 -1.331 1.00 0.00 C ATOM 316 C SER A 60 -19.987 5.026 -0.128 1.00 0.00 C ATOM 317 O SER A 60 -18.820 5.385 -0.276 1.00 0.00 O ATOM 318 CB SER A 60 -21.763 5.935 -1.625 1.00 0.00 C ATOM 319 OG SER A 60 -22.460 5.719 -2.846 1.00 0.00 O ATOM 0 H SER A 60 -22.707 3.724 -1.083 1.00 0.00 H new ATOM 0 HA SER A 60 -20.244 4.524 -2.195 1.00 0.00 H new ATOM 0 HB2 SER A 60 -22.471 6.088 -0.811 1.00 0.00 H new ATOM 0 HB3 SER A 60 -21.157 6.838 -1.694 1.00 0.00 H new ATOM 0 HG SER A 60 -23.151 5.037 -2.712 1.00 0.00 H new ATOM 325 N GLN A 61 -20.550 4.871 1.065 1.00 0.00 N ATOM 326 CA GLN A 61 -19.804 5.122 2.292 1.00 0.00 C ATOM 327 C GLN A 61 -18.672 4.110 2.447 1.00 0.00 C ATOM 328 O GLN A 61 -17.635 4.408 3.038 1.00 0.00 O ATOM 329 CB GLN A 61 -20.740 5.039 3.500 1.00 0.00 C ATOM 330 CG GLN A 61 -21.692 6.237 3.486 1.00 0.00 C ATOM 331 CD GLN A 61 -22.763 6.066 4.559 1.00 0.00 C ATOM 332 OE1 GLN A 61 -23.132 4.940 4.893 1.00 0.00 O ATOM 333 NE2 GLN A 61 -23.283 7.122 5.121 1.00 0.00 N ATOM 0 H GLN A 61 -21.515 4.574 1.208 1.00 0.00 H new ATOM 0 HA GLN A 61 -19.375 6.122 2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -21.307 4.109 3.472 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -20.161 5.031 4.423 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -21.134 7.157 3.661 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -22.159 6.329 2.506 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -22.974 8.053 4.841 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -23.998 7.017 5.840 1.00 0.00 H new ATOM 342 N ALA A 62 -18.880 2.915 1.905 1.00 0.00 N ATOM 343 CA ALA A 62 -17.870 1.865 1.978 1.00 0.00 C ATOM 344 C ALA A 62 -16.910 1.954 0.794 1.00 0.00 C ATOM 345 O ALA A 62 -15.890 1.266 0.758 1.00 0.00 O ATOM 346 CB ALA A 62 -18.545 0.493 1.988 1.00 0.00 C ATOM 0 H ALA A 62 -19.733 2.650 1.413 1.00 0.00 H new ATOM 0 HA ALA A 62 -17.302 1.999 2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.785 -0.286 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -19.204 0.418 2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -19.128 0.368 1.076 1.00 0.00 H new ATOM 352 N GLU A 63 -17.250 2.798 -0.179 1.00 0.00 N ATOM 353 CA GLU A 63 -16.416 2.959 -1.367 1.00 0.00 C ATOM 354 C GLU A 63 -15.034 3.488 -0.989 1.00 0.00 C ATOM 355 O GLU A 63 -14.020 3.032 -1.521 1.00 0.00 O ATOM 356 CB GLU A 63 -17.091 3.922 -2.353 1.00 0.00 C ATOM 357 CG GLU A 63 -16.247 4.065 -3.627 1.00 0.00 C ATOM 358 CD GLU A 63 -16.135 2.720 -4.339 1.00 0.00 C ATOM 359 OE1 GLU A 63 -16.973 1.869 -4.092 1.00 0.00 O ATOM 360 OE2 GLU A 63 -15.211 2.562 -5.120 1.00 0.00 O ATOM 0 H GLU A 63 -18.090 3.376 -0.168 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.296 1.984 -1.839 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -18.085 3.554 -2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.223 4.898 -1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -16.701 4.800 -4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.253 4.435 -3.374 1.00 0.00 H new ATOM 367 N LEU A 64 -14.997 4.456 -0.079 1.00 0.00 N ATOM 368 CA LEU A 64 -13.728 5.036 0.345 1.00 0.00 C ATOM 369 C LEU A 64 -12.848 3.973 0.994 1.00 0.00 C ATOM 370 O LEU A 64 -11.641 3.925 0.759 1.00 0.00 O ATOM 371 CB LEU A 64 -13.977 6.173 1.340 1.00 0.00 C ATOM 372 CG LEU A 64 -14.630 7.359 0.621 1.00 0.00 C ATOM 373 CD1 LEU A 64 -15.055 8.405 1.652 1.00 0.00 C ATOM 374 CD2 LEU A 64 -13.642 7.994 -0.368 1.00 0.00 C ATOM 0 H LEU A 64 -15.821 4.852 0.374 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.218 5.430 -0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -14.621 5.827 2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -13.036 6.484 1.793 1.00 0.00 H new ATOM 0 HG LEU A 64 -15.501 7.002 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.520 9.250 1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.769 7.962 2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.180 8.750 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.120 8.835 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.763 8.346 0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.341 7.252 -1.108 1.00 0.00 H new ATOM 386 N TYR A 65 -13.462 3.118 1.805 1.00 0.00 N ATOM 387 CA TYR A 65 -12.723 2.054 2.475 1.00 0.00 C ATOM 388 C TYR A 65 -12.078 1.127 1.448 1.00 0.00 C ATOM 389 O TYR A 65 -10.891 0.816 1.534 1.00 0.00 O ATOM 390 CB TYR A 65 -13.667 1.250 3.371 1.00 0.00 C ATOM 391 CG TYR A 65 -12.919 0.091 3.984 1.00 0.00 C ATOM 392 CD1 TYR A 65 -12.064 0.306 5.071 1.00 0.00 C ATOM 393 CD2 TYR A 65 -13.082 -1.199 3.465 1.00 0.00 C ATOM 394 CE1 TYR A 65 -11.372 -0.770 5.641 1.00 0.00 C ATOM 395 CE2 TYR A 65 -12.390 -2.275 4.034 1.00 0.00 C ATOM 396 CZ TYR A 65 -11.534 -2.061 5.121 1.00 0.00 C ATOM 397 OH TYR A 65 -10.853 -3.121 5.682 1.00 0.00 O ATOM 0 H TYR A 65 -14.460 3.140 2.013 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.940 2.504 3.085 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -14.073 1.889 4.155 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.513 0.883 2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.938 1.302 5.470 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.741 -1.364 2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -10.714 -0.605 6.481 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.517 -3.270 3.634 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.079 -3.945 5.203 1.00 0.00 H new ATOM 407 N SER A 66 -12.875 0.694 0.476 1.00 0.00 N ATOM 408 CA SER A 66 -12.385 -0.194 -0.570 1.00 0.00 C ATOM 409 C SER A 66 -11.317 0.498 -1.409 1.00 0.00 C ATOM 410 O SER A 66 -10.332 -0.119 -1.813 1.00 0.00 O ATOM 411 CB SER A 66 -13.540 -0.626 -1.472 1.00 0.00 C ATOM 412 OG SER A 66 -14.452 -1.420 -0.723 1.00 0.00 O ATOM 0 H SER A 66 -13.860 0.943 0.392 1.00 0.00 H new ATOM 0 HA SER A 66 -11.945 -1.071 -0.095 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.049 0.250 -1.875 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.160 -1.193 -2.322 1.00 0.00 H new ATOM 0 HG SER A 66 -15.195 -1.697 -1.299 1.00 0.00 H new ATOM 418 N LEU A 67 -11.531 1.781 -1.679 1.00 0.00 N ATOM 419 CA LEU A 67 -10.592 2.551 -2.486 1.00 0.00 C ATOM 420 C LEU A 67 -9.213 2.578 -1.833 1.00 0.00 C ATOM 421 O LEU A 67 -8.200 2.359 -2.498 1.00 0.00 O ATOM 422 CB LEU A 67 -11.124 3.981 -2.658 1.00 0.00 C ATOM 423 CG LEU A 67 -10.157 4.816 -3.505 1.00 0.00 C ATOM 424 CD1 LEU A 67 -10.008 4.187 -4.892 1.00 0.00 C ATOM 425 CD2 LEU A 67 -10.720 6.232 -3.655 1.00 0.00 C ATOM 0 H LEU A 67 -12.342 2.307 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 67 -10.494 2.078 -3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.104 3.956 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.256 4.446 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.183 4.850 -3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.320 4.784 -5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.617 3.174 -4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.981 4.154 -5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.038 6.833 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.692 6.187 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.831 6.686 -2.670 1.00 0.00 H new ATOM 437 N GLU A 68 -9.174 2.842 -0.530 1.00 0.00 N ATOM 438 CA GLU A 68 -7.903 2.884 0.185 1.00 0.00 C ATOM 439 C GLU A 68 -7.235 1.513 0.155 1.00 0.00 C ATOM 440 O GLU A 68 -6.021 1.403 -0.020 1.00 0.00 O ATOM 441 CB GLU A 68 -8.132 3.315 1.636 1.00 0.00 C ATOM 442 CG GLU A 68 -8.532 4.792 1.673 1.00 0.00 C ATOM 443 CD GLU A 68 -8.933 5.189 3.089 1.00 0.00 C ATOM 444 OE1 GLU A 68 -9.104 4.300 3.907 1.00 0.00 O ATOM 445 OE2 GLU A 68 -9.063 6.377 3.336 1.00 0.00 O ATOM 0 H GLU A 68 -9.996 3.028 0.045 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.251 3.607 -0.305 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.913 2.704 2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.225 3.158 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.701 5.411 1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.361 4.970 0.988 1.00 0.00 H new ATOM 452 N LYS A 69 -8.043 0.472 0.323 1.00 0.00 N ATOM 453 CA LYS A 69 -7.533 -0.894 0.309 1.00 0.00 C ATOM 454 C LYS A 69 -7.056 -1.266 -1.092 1.00 0.00 C ATOM 455 O LYS A 69 -6.027 -1.921 -1.259 1.00 0.00 O ATOM 456 CB LYS A 69 -8.630 -1.869 0.751 1.00 0.00 C ATOM 457 CG LYS A 69 -8.027 -3.256 1.001 1.00 0.00 C ATOM 458 CD LYS A 69 -7.583 -3.369 2.463 1.00 0.00 C ATOM 459 CE LYS A 69 -8.785 -3.723 3.343 1.00 0.00 C ATOM 460 NZ LYS A 69 -8.815 -5.195 3.571 1.00 0.00 N ATOM 0 H LYS A 69 -9.050 0.547 0.470 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.693 -0.957 1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.110 -1.503 1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.403 -1.932 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.761 -4.029 0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.177 -3.418 0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.812 -4.133 2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.143 -2.428 2.793 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.719 -3.198 4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.709 -3.399 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.631 -5.437 4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.897 -5.686 2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.938 -5.491 4.046 1.00 0.00 H new ATOM 474 N ASN A 70 -7.817 -0.842 -2.094 1.00 0.00 N ATOM 475 CA ASN A 70 -7.476 -1.132 -3.482 1.00 0.00 C ATOM 476 C ASN A 70 -7.229 -2.625 -3.659 1.00 0.00 C ATOM 477 O ASN A 70 -6.520 -3.046 -4.571 1.00 0.00 O ATOM 478 CB ASN A 70 -6.230 -0.342 -3.889 1.00 0.00 C ATOM 479 CG ASN A 70 -6.167 -0.209 -5.407 1.00 0.00 C ATOM 480 OD1 ASN A 70 -7.203 -0.118 -6.066 1.00 0.00 O ATOM 481 ND2 ASN A 70 -5.008 -0.184 -6.003 1.00 0.00 N ATOM 0 H ASN A 70 -8.671 -0.298 -1.972 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.308 -0.835 -4.120 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.251 0.646 -3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.335 -0.845 -3.523 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -4.958 -0.089 -7.017 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.151 -0.260 -5.455 1.00 0.00 H new ATOM 488 N GLU A 71 -7.832 -3.419 -2.777 1.00 0.00 N ATOM 489 CA GLU A 71 -7.691 -4.872 -2.828 1.00 0.00 C ATOM 490 C GLU A 71 -6.260 -5.274 -3.176 1.00 0.00 C ATOM 491 O GLU A 71 -6.019 -6.386 -3.650 1.00 0.00 O ATOM 492 CB GLU A 71 -8.655 -5.445 -3.866 1.00 0.00 C ATOM 493 CG GLU A 71 -10.088 -5.056 -3.493 1.00 0.00 C ATOM 494 CD GLU A 71 -11.066 -5.633 -4.512 1.00 0.00 C ATOM 495 OE1 GLU A 71 -11.092 -6.843 -4.661 1.00 0.00 O ATOM 496 OE2 GLU A 71 -11.774 -4.855 -5.129 1.00 0.00 O ATOM 0 H GLU A 71 -8.423 -3.080 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.928 -5.274 -1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.409 -5.064 -4.857 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.560 -6.530 -3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.327 -5.427 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.182 -3.971 -3.460 1.00 0.00 H new ATOM 503 N ASP A 72 -5.317 -4.366 -2.953 1.00 0.00 N ATOM 504 CA ASP A 72 -3.918 -4.645 -3.263 1.00 0.00 C ATOM 505 C ASP A 72 -3.157 -5.125 -2.031 1.00 0.00 C ATOM 506 O ASP A 72 -3.331 -4.597 -0.933 1.00 0.00 O ATOM 507 CB ASP A 72 -3.245 -3.389 -3.819 1.00 0.00 C ATOM 508 CG ASP A 72 -3.752 -3.104 -5.229 1.00 0.00 C ATOM 509 OD1 ASP A 72 -4.407 -3.969 -5.789 1.00 0.00 O ATOM 510 OD2 ASP A 72 -3.475 -2.028 -5.730 1.00 0.00 O ATOM 0 H ASP A 72 -5.491 -3.440 -2.563 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.896 -5.439 -4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.453 -2.538 -3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.163 -3.522 -3.833 1.00 0.00 H new ATOM 515 N ALA A 73 -2.305 -6.123 -2.233 1.00 0.00 N ATOM 516 CA ALA A 73 -1.501 -6.673 -1.148 1.00 0.00 C ATOM 517 C ALA A 73 -0.437 -5.668 -0.718 1.00 0.00 C ATOM 518 O ALA A 73 -0.018 -4.820 -1.506 1.00 0.00 O ATOM 519 CB ALA A 73 -0.828 -7.970 -1.599 1.00 0.00 C ATOM 0 H ALA A 73 -2.153 -6.568 -3.138 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.156 -6.883 -0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.230 -8.373 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.590 -8.696 -1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.184 -7.767 -2.454 1.00 0.00 H new ATOM 525 N SER A 74 0.002 -5.769 0.532 1.00 0.00 N ATOM 526 CA SER A 74 1.025 -4.866 1.048 1.00 0.00 C ATOM 527 C SER A 74 2.412 -5.394 0.703 1.00 0.00 C ATOM 528 O SER A 74 2.576 -6.575 0.395 1.00 0.00 O ATOM 529 CB SER A 74 0.890 -4.727 2.564 1.00 0.00 C ATOM 530 OG SER A 74 1.920 -3.877 3.050 1.00 0.00 O ATOM 0 H SER A 74 -0.331 -6.462 1.203 1.00 0.00 H new ATOM 0 HA SER A 74 0.890 -3.887 0.587 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.087 -4.316 2.818 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.956 -5.706 3.038 1.00 0.00 H new ATOM 0 HG SER A 74 1.836 -3.784 4.022 1.00 0.00 H new ATOM 536 N LEU A 75 3.409 -4.521 0.765 1.00 0.00 N ATOM 537 CA LEU A 75 4.778 -4.919 0.465 1.00 0.00 C ATOM 538 C LEU A 75 5.324 -5.818 1.571 1.00 0.00 C ATOM 539 O LEU A 75 6.307 -6.532 1.373 1.00 0.00 O ATOM 540 CB LEU A 75 5.666 -3.682 0.328 1.00 0.00 C ATOM 541 CG LEU A 75 5.681 -3.223 -1.131 1.00 0.00 C ATOM 542 CD1 LEU A 75 4.253 -2.917 -1.586 1.00 0.00 C ATOM 543 CD2 LEU A 75 6.539 -1.961 -1.258 1.00 0.00 C ATOM 0 H LEU A 75 3.297 -3.539 1.018 1.00 0.00 H new ATOM 0 HA LEU A 75 4.779 -5.470 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.294 -2.882 0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.679 -3.910 0.659 1.00 0.00 H new ATOM 0 HG LEU A 75 6.099 -4.012 -1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.265 -2.590 -2.626 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.642 -3.815 -1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.834 -2.128 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.551 -1.632 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.121 -1.172 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.557 -2.179 -0.935 1.00 0.00 H new ATOM 555 N ARG A 76 4.672 -5.789 2.731 1.00 0.00 N ATOM 556 CA ARG A 76 5.094 -6.618 3.855 1.00 0.00 C ATOM 557 C ARG A 76 4.508 -8.021 3.731 1.00 0.00 C ATOM 558 O ARG A 76 5.160 -9.012 4.065 1.00 0.00 O ATOM 559 CB ARG A 76 4.636 -5.982 5.169 1.00 0.00 C ATOM 560 CG ARG A 76 5.407 -4.682 5.402 1.00 0.00 C ATOM 561 CD ARG A 76 4.942 -4.036 6.708 1.00 0.00 C ATOM 562 NE ARG A 76 5.654 -2.784 6.934 1.00 0.00 N ATOM 563 CZ ARG A 76 6.863 -2.772 7.484 1.00 0.00 C ATOM 564 NH1 ARG A 76 7.480 -1.638 7.680 1.00 0.00 N ATOM 565 NH2 ARG A 76 7.435 -3.893 7.830 1.00 0.00 N ATOM 0 H ARG A 76 3.856 -5.205 2.916 1.00 0.00 H new ATOM 0 HA ARG A 76 6.182 -6.690 3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.565 -5.781 5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.804 -6.671 5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.477 -4.885 5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.246 -3.998 4.569 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.869 -3.850 6.668 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.116 -4.717 7.541 1.00 0.00 H new ATOM 0 HE ARG A 76 5.216 -1.903 6.665 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.034 -0.761 7.411 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.408 -1.629 8.102 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.954 -4.779 7.678 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.363 -3.883 8.252 1.00 0.00 H new ATOM 579 N LYS A 77 3.273 -8.097 3.243 1.00 0.00 N ATOM 580 CA LYS A 77 2.600 -9.380 3.069 1.00 0.00 C ATOM 581 C LYS A 77 3.235 -10.161 1.925 1.00 0.00 C ATOM 582 O LYS A 77 3.090 -11.380 1.837 1.00 0.00 O ATOM 583 CB LYS A 77 1.105 -9.174 2.798 1.00 0.00 C ATOM 584 CG LYS A 77 0.418 -8.667 4.074 1.00 0.00 C ATOM 585 CD LYS A 77 -1.108 -8.687 3.907 1.00 0.00 C ATOM 586 CE LYS A 77 -1.561 -7.593 2.936 1.00 0.00 C ATOM 587 NZ LYS A 77 -3.051 -7.530 2.925 1.00 0.00 N ATOM 0 H LYS A 77 2.719 -7.288 2.962 1.00 0.00 H new ATOM 0 HA LYS A 77 2.711 -9.951 3.991 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.967 -8.457 1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.651 -10.111 2.475 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.705 -9.290 4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.752 -7.654 4.296 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.426 -9.662 3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.587 -8.542 4.875 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.147 -6.630 3.236 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.187 -7.803 1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.362 -6.788 2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.435 -8.447 2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.396 -7.311 3.881 1.00 0.00 H new ATOM 601 N LEU A 78 3.962 -9.453 1.066 1.00 0.00 N ATOM 602 CA LEU A 78 4.645 -10.097 -0.049 1.00 0.00 C ATOM 603 C LEU A 78 6.044 -10.510 0.398 1.00 0.00 C ATOM 604 O LEU A 78 6.418 -11.680 0.319 1.00 0.00 O ATOM 605 CB LEU A 78 4.743 -9.129 -1.234 1.00 0.00 C ATOM 606 CG LEU A 78 3.701 -9.492 -2.299 1.00 0.00 C ATOM 607 CD1 LEU A 78 4.059 -10.833 -2.945 1.00 0.00 C ATOM 608 CD2 LEU A 78 2.319 -9.594 -1.650 1.00 0.00 C ATOM 0 H LEU A 78 4.092 -8.443 1.120 1.00 0.00 H new ATOM 0 HA LEU A 78 4.083 -10.977 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.584 -8.106 -0.892 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.744 -9.169 -1.665 1.00 0.00 H new ATOM 0 HG LEU A 78 3.690 -8.716 -3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.314 -11.083 -3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.040 -10.761 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.078 -11.611 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.579 -9.852 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.334 -10.366 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.057 -8.637 -1.199 1.00 0.00 H new ATOM 620 N GLN A 79 6.813 -9.525 0.853 1.00 0.00 N ATOM 621 CA GLN A 79 8.181 -9.768 1.302 1.00 0.00 C ATOM 622 C GLN A 79 8.230 -10.941 2.271 1.00 0.00 C ATOM 623 O GLN A 79 9.250 -11.618 2.381 1.00 0.00 O ATOM 624 CB GLN A 79 8.739 -8.514 1.984 1.00 0.00 C ATOM 625 CG GLN A 79 10.247 -8.672 2.218 1.00 0.00 C ATOM 626 CD GLN A 79 10.494 -9.560 3.434 1.00 0.00 C ATOM 627 OE1 GLN A 79 9.690 -9.577 4.366 1.00 0.00 O ATOM 628 NE2 GLN A 79 11.565 -10.306 3.479 1.00 0.00 N ATOM 0 H GLN A 79 6.513 -8.552 0.921 1.00 0.00 H new ATOM 0 HA GLN A 79 8.790 -10.009 0.431 1.00 0.00 H new ATOM 0 HB2 GLN A 79 8.548 -7.638 1.364 1.00 0.00 H new ATOM 0 HB3 GLN A 79 8.230 -8.350 2.934 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.717 -9.109 1.337 1.00 0.00 H new ATOM 0 HG3 GLN A 79 10.704 -7.695 2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 79 12.230 -10.291 2.706 1.00 0.00 H new ATOM 0 HE22 GLN A 79 11.736 -10.904 4.287 1.00 0.00 H new ATOM 637 N ALA A 80 7.124 -11.194 2.961 1.00 0.00 N ATOM 638 CA ALA A 80 7.067 -12.308 3.896 1.00 0.00 C ATOM 639 C ALA A 80 7.308 -13.618 3.154 1.00 0.00 C ATOM 640 O ALA A 80 7.959 -14.527 3.668 1.00 0.00 O ATOM 641 CB ALA A 80 5.701 -12.348 4.583 1.00 0.00 C ATOM 0 H ALA A 80 6.264 -10.649 2.892 1.00 0.00 H new ATOM 0 HA ALA A 80 7.841 -12.175 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.669 -13.185 5.280 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.539 -11.417 5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.920 -12.471 3.833 1.00 0.00 H new ATOM 647 N ASP A 81 6.784 -13.698 1.933 1.00 0.00 N ATOM 648 CA ASP A 81 6.953 -14.889 1.111 1.00 0.00 C ATOM 649 C ASP A 81 8.388 -14.980 0.599 1.00 0.00 C ATOM 650 O ASP A 81 8.832 -16.036 0.149 1.00 0.00 O ATOM 651 CB ASP A 81 5.987 -14.847 -0.074 1.00 0.00 C ATOM 652 CG ASP A 81 4.556 -15.058 0.411 1.00 0.00 C ATOM 653 OD1 ASP A 81 4.391 -15.471 1.547 1.00 0.00 O ATOM 654 OD2 ASP A 81 3.647 -14.805 -0.361 1.00 0.00 O ATOM 0 H ASP A 81 6.241 -12.954 1.494 1.00 0.00 H new ATOM 0 HA ASP A 81 6.738 -15.766 1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.068 -13.888 -0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.252 -15.618 -0.797 1.00 0.00 H new ATOM 659 N GLY A 82 9.108 -13.863 0.671 1.00 0.00 N ATOM 660 CA GLY A 82 10.496 -13.825 0.213 1.00 0.00 C ATOM 661 C GLY A 82 10.581 -13.532 -1.284 1.00 0.00 C ATOM 662 O GLY A 82 11.662 -13.582 -1.872 1.00 0.00 O ATOM 0 H GLY A 82 8.758 -12.978 1.039 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.043 -13.061 0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.977 -14.779 0.426 1.00 0.00 H new ATOM 666 N ARG A 83 9.441 -13.225 -1.895 1.00 0.00 N ATOM 667 CA ARG A 83 9.406 -12.924 -3.324 1.00 0.00 C ATOM 668 C ARG A 83 10.216 -11.671 -3.649 1.00 0.00 C ATOM 669 O ARG A 83 10.858 -11.599 -4.697 1.00 0.00 O ATOM 670 CB ARG A 83 7.964 -12.747 -3.802 1.00 0.00 C ATOM 671 CG ARG A 83 7.249 -14.101 -3.769 1.00 0.00 C ATOM 672 CD ARG A 83 5.825 -13.940 -4.301 1.00 0.00 C ATOM 673 NE ARG A 83 5.860 -13.570 -5.711 1.00 0.00 N ATOM 674 CZ ARG A 83 4.751 -13.228 -6.361 1.00 0.00 C ATOM 675 NH1 ARG A 83 4.812 -12.898 -7.621 1.00 0.00 N ATOM 676 NH2 ARG A 83 3.604 -13.227 -5.739 1.00 0.00 N ATOM 0 H ARG A 83 8.535 -13.178 -1.428 1.00 0.00 H new ATOM 0 HA ARG A 83 9.855 -13.768 -3.847 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.443 -12.032 -3.165 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.951 -12.341 -4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.794 -14.827 -4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 83 7.226 -14.487 -2.750 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.273 -14.871 -4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.298 -13.176 -3.729 1.00 0.00 H new ATOM 0 HE ARG A 83 6.751 -13.573 -6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.709 -12.902 -8.107 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.963 -12.635 -8.121 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.558 -13.488 -4.754 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.754 -12.965 -6.238 1.00 0.00 H new ATOM 690 N ILE A 84 10.192 -10.692 -2.743 1.00 0.00 N ATOM 691 CA ILE A 84 10.939 -9.450 -2.942 1.00 0.00 C ATOM 692 C ILE A 84 11.998 -9.289 -1.856 1.00 0.00 C ATOM 693 O ILE A 84 11.892 -9.887 -0.785 1.00 0.00 O ATOM 694 CB ILE A 84 9.988 -8.247 -2.935 1.00 0.00 C ATOM 695 CG1 ILE A 84 9.198 -8.205 -1.624 1.00 0.00 C ATOM 696 CG2 ILE A 84 9.013 -8.362 -4.104 1.00 0.00 C ATOM 697 CD1 ILE A 84 8.460 -6.869 -1.516 1.00 0.00 C ATOM 0 H ILE A 84 9.667 -10.735 -1.870 1.00 0.00 H new ATOM 0 HA ILE A 84 11.435 -9.497 -3.911 1.00 0.00 H new ATOM 0 HB ILE A 84 10.575 -7.333 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 84 8.486 -9.030 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.872 -8.330 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.337 -7.507 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.569 -8.380 -5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 84 8.436 -9.282 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.897 -6.839 -0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 84 9.182 -6.052 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 84 7.774 -6.763 -2.357 1.00 0.00 H new ATOM 709 N THR A 85 13.022 -8.491 -2.140 1.00 0.00 N ATOM 710 CA THR A 85 14.093 -8.284 -1.174 1.00 0.00 C ATOM 711 C THR A 85 13.682 -7.281 -0.104 1.00 0.00 C ATOM 712 O THR A 85 12.786 -6.463 -0.313 1.00 0.00 O ATOM 713 CB THR A 85 15.348 -7.769 -1.883 1.00 0.00 C ATOM 714 OG1 THR A 85 15.077 -6.495 -2.448 1.00 0.00 O ATOM 715 CG2 THR A 85 15.749 -8.741 -2.990 1.00 0.00 C ATOM 0 H THR A 85 13.132 -7.984 -3.018 1.00 0.00 H new ATOM 0 HA THR A 85 14.301 -9.242 -0.698 1.00 0.00 H new ATOM 0 HB THR A 85 16.163 -7.686 -1.164 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.053 -6.569 -3.425 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.643 -8.371 -3.493 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.955 -9.720 -2.558 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.936 -8.826 -3.711 1.00 0.00 H new ATOM 723 N GLU A 86 14.355 -7.347 1.041 1.00 0.00 N ATOM 724 CA GLU A 86 14.068 -6.435 2.139 1.00 0.00 C ATOM 725 C GLU A 86 14.754 -5.091 1.917 1.00 0.00 C ATOM 726 O GLU A 86 14.207 -4.043 2.257 1.00 0.00 O ATOM 727 CB GLU A 86 14.552 -7.038 3.462 1.00 0.00 C ATOM 728 CG GLU A 86 13.768 -8.319 3.772 1.00 0.00 C ATOM 729 CD GLU A 86 14.433 -9.521 3.107 1.00 0.00 C ATOM 730 OE1 GLU A 86 15.332 -9.315 2.309 1.00 0.00 O ATOM 731 OE2 GLU A 86 14.032 -10.635 3.408 1.00 0.00 O ATOM 0 H GLU A 86 15.098 -8.019 1.230 1.00 0.00 H new ATOM 0 HA GLU A 86 12.990 -6.280 2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 86 15.618 -7.259 3.402 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.421 -6.317 4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.720 -8.472 4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.742 -8.220 3.418 1.00 0.00 H new ATOM 738 N GLU A 87 15.962 -5.127 1.359 1.00 0.00 N ATOM 739 CA GLU A 87 16.715 -3.901 1.119 1.00 0.00 C ATOM 740 C GLU A 87 16.058 -3.043 0.040 1.00 0.00 C ATOM 741 O GLU A 87 16.049 -1.818 0.139 1.00 0.00 O ATOM 742 CB GLU A 87 18.152 -4.242 0.708 1.00 0.00 C ATOM 743 CG GLU A 87 18.152 -4.991 -0.626 1.00 0.00 C ATOM 744 CD GLU A 87 19.569 -5.434 -0.972 1.00 0.00 C ATOM 745 OE1 GLU A 87 20.461 -5.167 -0.183 1.00 0.00 O ATOM 746 OE2 GLU A 87 19.743 -6.034 -2.019 1.00 0.00 O ATOM 0 H GLU A 87 16.435 -5.982 1.068 1.00 0.00 H new ATOM 0 HA GLU A 87 16.725 -3.328 2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 87 18.740 -3.329 0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 87 18.624 -4.853 1.477 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.495 -5.859 -0.566 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.760 -4.348 -1.414 1.00 0.00 H new ATOM 753 N GLN A 88 15.510 -3.683 -0.987 1.00 0.00 N ATOM 754 CA GLN A 88 14.858 -2.943 -2.066 1.00 0.00 C ATOM 755 C GLN A 88 13.622 -2.209 -1.561 1.00 0.00 C ATOM 756 O GLN A 88 13.362 -1.069 -1.947 1.00 0.00 O ATOM 757 CB GLN A 88 14.459 -3.894 -3.196 1.00 0.00 C ATOM 758 CG GLN A 88 13.868 -3.088 -4.356 1.00 0.00 C ATOM 759 CD GLN A 88 12.395 -2.788 -4.096 1.00 0.00 C ATOM 760 OE1 GLN A 88 11.708 -3.564 -3.430 1.00 0.00 O ATOM 761 NE2 GLN A 88 11.863 -1.701 -4.588 1.00 0.00 N ATOM 0 H GLN A 88 15.502 -4.697 -1.097 1.00 0.00 H new ATOM 0 HA GLN A 88 15.570 -2.208 -2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.328 -4.457 -3.536 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.730 -4.620 -2.835 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.420 -2.156 -4.479 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.974 -3.646 -5.286 1.00 0.00 H new ATOM 0 HE21 GLN A 88 12.432 -1.059 -5.139 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.878 -1.494 -4.421 1.00 0.00 H new ATOM 770 N ALA A 89 12.861 -2.876 -0.706 1.00 0.00 N ATOM 771 CA ALA A 89 11.644 -2.295 -0.156 1.00 0.00 C ATOM 772 C ALA A 89 11.949 -1.027 0.636 1.00 0.00 C ATOM 773 O ALA A 89 11.185 -0.062 0.595 1.00 0.00 O ATOM 774 CB ALA A 89 10.948 -3.309 0.752 1.00 0.00 C ATOM 0 H ALA A 89 13.064 -3.820 -0.378 1.00 0.00 H new ATOM 0 HA ALA A 89 10.988 -2.034 -0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.039 -2.868 1.160 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.693 -4.198 0.176 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.615 -3.585 1.568 1.00 0.00 H new ATOM 780 N LYS A 90 13.072 -1.030 1.344 1.00 0.00 N ATOM 781 CA LYS A 90 13.472 0.135 2.130 1.00 0.00 C ATOM 782 C LYS A 90 14.176 1.155 1.240 1.00 0.00 C ATOM 783 O LYS A 90 14.211 2.347 1.546 1.00 0.00 O ATOM 784 CB LYS A 90 14.419 -0.293 3.260 1.00 0.00 C ATOM 785 CG LYS A 90 13.775 -1.379 4.141 1.00 0.00 C ATOM 786 CD LYS A 90 12.550 -0.835 4.887 1.00 0.00 C ATOM 787 CE LYS A 90 12.085 -1.872 5.910 1.00 0.00 C ATOM 788 NZ LYS A 90 10.880 -1.363 6.623 1.00 0.00 N ATOM 0 H LYS A 90 13.718 -1.818 1.392 1.00 0.00 H new ATOM 0 HA LYS A 90 12.578 0.588 2.558 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.350 -0.669 2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.674 0.572 3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.480 -2.226 3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 90 14.507 -1.749 4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.799 0.101 5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.748 -0.616 4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.854 -2.813 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.883 -2.077 6.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.564 -2.069 7.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.115 -0.476 7.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.118 -1.189 5.937 1.00 0.00 H new ATOM 802 N ALA A 91 14.771 0.665 0.157 1.00 0.00 N ATOM 803 CA ALA A 91 15.517 1.521 -0.758 1.00 0.00 C ATOM 804 C ALA A 91 14.644 2.623 -1.349 1.00 0.00 C ATOM 805 O ALA A 91 15.099 3.758 -1.500 1.00 0.00 O ATOM 806 CB ALA A 91 16.106 0.677 -1.891 1.00 0.00 C ATOM 0 H ALA A 91 14.751 -0.320 -0.108 1.00 0.00 H new ATOM 0 HA ALA A 91 16.315 1.996 -0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 91 16.663 1.320 -2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 91 16.775 -0.075 -1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.300 0.184 -2.434 1.00 0.00 H new ATOM 812 N TYR A 92 13.401 2.305 -1.689 1.00 0.00 N ATOM 813 CA TYR A 92 12.508 3.304 -2.267 1.00 0.00 C ATOM 814 C TYR A 92 12.317 4.479 -1.315 1.00 0.00 C ATOM 815 O TYR A 92 12.396 5.638 -1.723 1.00 0.00 O ATOM 816 CB TYR A 92 11.149 2.674 -2.574 1.00 0.00 C ATOM 817 CG TYR A 92 10.211 3.737 -3.094 1.00 0.00 C ATOM 818 CD1 TYR A 92 10.327 4.186 -4.415 1.00 0.00 C ATOM 819 CD2 TYR A 92 9.226 4.273 -2.255 1.00 0.00 C ATOM 820 CE1 TYR A 92 9.458 5.173 -4.897 1.00 0.00 C ATOM 821 CE2 TYR A 92 8.356 5.259 -2.738 1.00 0.00 C ATOM 822 CZ TYR A 92 8.473 5.709 -4.059 1.00 0.00 C ATOM 823 OH TYR A 92 7.617 6.680 -4.535 1.00 0.00 O ATOM 0 H TYR A 92 12.992 1.377 -1.577 1.00 0.00 H new ATOM 0 HA TYR A 92 12.960 3.670 -3.189 1.00 0.00 H new ATOM 0 HB2 TYR A 92 11.262 1.880 -3.312 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.736 2.217 -1.675 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.086 3.772 -5.062 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.137 3.926 -1.236 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.548 5.521 -5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.595 5.672 -2.092 1.00 0.00 H new ATOM 0 HH TYR A 92 6.994 6.943 -3.826 1.00 0.00 H new ATOM 833 N LYS A 93 12.055 4.176 -0.048 1.00 0.00 N ATOM 834 CA LYS A 93 11.839 5.223 0.944 1.00 0.00 C ATOM 835 C LYS A 93 13.066 6.129 1.023 1.00 0.00 C ATOM 836 O LYS A 93 12.942 7.354 1.017 1.00 0.00 O ATOM 837 CB LYS A 93 11.574 4.581 2.313 1.00 0.00 C ATOM 838 CG LYS A 93 11.261 5.666 3.356 1.00 0.00 C ATOM 839 CD LYS A 93 11.160 5.041 4.756 1.00 0.00 C ATOM 840 CE LYS A 93 9.857 4.248 4.900 1.00 0.00 C ATOM 841 NZ LYS A 93 9.687 3.835 6.322 1.00 0.00 N ATOM 0 H LYS A 93 11.988 3.225 0.314 1.00 0.00 H new ATOM 0 HA LYS A 93 10.977 5.824 0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.739 3.884 2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.444 4.004 2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.041 6.427 3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.325 6.164 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.013 4.384 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.201 5.824 5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.010 4.857 4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.879 3.370 4.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.803 3.296 6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.490 3.240 6.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.649 4.680 6.927 1.00 0.00 H new ATOM 855 N GLU A 94 14.248 5.526 1.112 1.00 0.00 N ATOM 856 CA GLU A 94 15.486 6.292 1.207 1.00 0.00 C ATOM 857 C GLU A 94 15.682 7.182 -0.018 1.00 0.00 C ATOM 858 O GLU A 94 16.152 8.312 0.097 1.00 0.00 O ATOM 859 CB GLU A 94 16.672 5.335 1.348 1.00 0.00 C ATOM 860 CG GLU A 94 17.964 6.133 1.539 1.00 0.00 C ATOM 861 CD GLU A 94 19.133 5.181 1.759 1.00 0.00 C ATOM 862 OE1 GLU A 94 18.906 3.982 1.749 1.00 0.00 O ATOM 863 OE2 GLU A 94 20.239 5.664 1.938 1.00 0.00 O ATOM 0 H GLU A 94 14.374 4.514 1.120 1.00 0.00 H new ATOM 0 HA GLU A 94 15.424 6.935 2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.516 4.670 2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.750 4.706 0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.150 6.755 0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 94 17.865 6.804 2.392 1.00 0.00 H new ATOM 870 N TYR A 95 15.334 6.670 -1.193 1.00 0.00 N ATOM 871 CA TYR A 95 15.495 7.448 -2.416 1.00 0.00 C ATOM 872 C TYR A 95 14.706 8.751 -2.323 1.00 0.00 C ATOM 873 O TYR A 95 15.235 9.827 -2.593 1.00 0.00 O ATOM 874 CB TYR A 95 15.010 6.637 -3.618 1.00 0.00 C ATOM 875 CG TYR A 95 15.114 7.477 -4.869 1.00 0.00 C ATOM 876 CD1 TYR A 95 16.357 7.666 -5.483 1.00 0.00 C ATOM 877 CD2 TYR A 95 13.967 8.067 -5.414 1.00 0.00 C ATOM 878 CE1 TYR A 95 16.454 8.443 -6.642 1.00 0.00 C ATOM 879 CE2 TYR A 95 14.064 8.844 -6.573 1.00 0.00 C ATOM 880 CZ TYR A 95 15.308 9.033 -7.188 1.00 0.00 C ATOM 881 OH TYR A 95 15.403 9.799 -8.331 1.00 0.00 O ATOM 0 H TYR A 95 14.945 5.736 -1.325 1.00 0.00 H new ATOM 0 HA TYR A 95 16.552 7.683 -2.543 1.00 0.00 H new ATOM 0 HB2 TYR A 95 15.608 5.732 -3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 95 13.978 6.321 -3.464 1.00 0.00 H new ATOM 0 HD1 TYR A 95 17.242 7.212 -5.062 1.00 0.00 H new ATOM 0 HD2 TYR A 95 13.008 7.922 -4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 95 17.414 8.588 -7.116 1.00 0.00 H new ATOM 0 HE2 TYR A 95 13.179 9.298 -6.994 1.00 0.00 H new ATOM 0 HH TYR A 95 14.515 10.133 -8.576 1.00 0.00 H new ATOM 891 N ASN A 96 13.442 8.644 -1.926 1.00 0.00 N ATOM 892 CA ASN A 96 12.592 9.822 -1.785 1.00 0.00 C ATOM 893 C ASN A 96 13.170 10.766 -0.732 1.00 0.00 C ATOM 894 O ASN A 96 13.181 11.984 -0.904 1.00 0.00 O ATOM 895 CB ASN A 96 11.184 9.388 -1.374 1.00 0.00 C ATOM 896 CG ASN A 96 10.261 10.596 -1.295 1.00 0.00 C ATOM 897 OD1 ASN A 96 10.072 11.299 -2.288 1.00 0.00 O ATOM 898 ND2 ASN A 96 9.671 10.879 -0.165 1.00 0.00 N ATOM 0 H ASN A 96 12.986 7.761 -1.698 1.00 0.00 H new ATOM 0 HA ASN A 96 12.547 10.346 -2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 96 10.793 8.669 -2.094 1.00 0.00 H new ATOM 0 HB3 ASN A 96 11.219 8.884 -0.408 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.050 11.686 -0.102 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.831 10.293 0.655 1.00 0.00 H new ATOM 905 N ASP A 97 13.622 10.179 0.369 1.00 0.00 N ATOM 906 CA ASP A 97 14.176 10.955 1.476 1.00 0.00 C ATOM 907 C ASP A 97 15.134 12.025 0.957 1.00 0.00 C ATOM 908 O ASP A 97 15.249 13.100 1.547 1.00 0.00 O ATOM 909 CB ASP A 97 14.915 10.037 2.450 1.00 0.00 C ATOM 910 CG ASP A 97 15.298 10.812 3.705 1.00 0.00 C ATOM 911 OD1 ASP A 97 15.187 12.027 3.684 1.00 0.00 O ATOM 912 OD2 ASP A 97 15.698 10.180 4.669 1.00 0.00 O ATOM 0 H ASP A 97 13.617 9.170 0.521 1.00 0.00 H new ATOM 0 HA ASP A 97 13.350 11.441 1.996 1.00 0.00 H new ATOM 0 HB2 ASP A 97 14.283 9.189 2.714 1.00 0.00 H new ATOM 0 HB3 ASP A 97 15.809 9.633 1.975 1.00 0.00 H new ATOM 917 N LYS A 98 15.813 11.736 -0.147 1.00 0.00 N ATOM 918 CA LYS A 98 16.747 12.697 -0.728 1.00 0.00 C ATOM 919 C LYS A 98 16.007 13.966 -1.144 1.00 0.00 C ATOM 920 O LYS A 98 16.515 15.076 -0.983 1.00 0.00 O ATOM 921 CB LYS A 98 17.436 12.087 -1.955 1.00 0.00 C ATOM 922 CG LYS A 98 18.402 10.977 -1.524 1.00 0.00 C ATOM 923 CD LYS A 98 19.763 11.573 -1.148 1.00 0.00 C ATOM 924 CE LYS A 98 20.738 10.442 -0.811 1.00 0.00 C ATOM 925 NZ LYS A 98 20.937 9.586 -2.014 1.00 0.00 N ATOM 0 H LYS A 98 15.737 10.854 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 98 17.497 12.947 0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 98 16.688 11.683 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 98 17.979 12.861 -2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 98 17.988 10.435 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 98 18.524 10.257 -2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 98 20.152 12.169 -1.974 1.00 0.00 H new ATOM 0 HD3 LYS A 98 19.656 12.242 -0.294 1.00 0.00 H new ATOM 0 HE2 LYS A 98 21.692 10.855 -0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 98 20.349 9.845 0.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 21.952 9.397 -2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 20.431 8.686 -1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 20.568 10.076 -2.854 1.00 0.00 H new ATOM 939 N ASN A 99 14.803 13.790 -1.683 1.00 0.00 N ATOM 940 CA ASN A 99 13.991 14.921 -2.128 1.00 0.00 C ATOM 941 C ASN A 99 12.949 15.280 -1.071 1.00 0.00 C ATOM 942 O ASN A 99 12.020 16.044 -1.334 1.00 0.00 O ATOM 943 CB ASN A 99 13.290 14.575 -3.442 1.00 0.00 C ATOM 944 CG ASN A 99 14.309 14.496 -4.574 1.00 0.00 C ATOM 945 OD1 ASN A 99 15.404 15.050 -4.466 1.00 0.00 O ATOM 946 ND2 ASN A 99 14.013 13.836 -5.660 1.00 0.00 N ATOM 0 H ASN A 99 14.368 12.878 -1.822 1.00 0.00 H new ATOM 0 HA ASN A 99 14.647 15.778 -2.282 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.768 13.623 -3.345 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.537 15.329 -3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 99 14.689 13.778 -6.422 1.00 0.00 H new ATOM 0 HD22 ASN A 99 13.106 13.378 -5.747 1.00 0.00 H new ATOM 953 N GLY A 100 13.126 14.737 0.127 1.00 0.00 N ATOM 954 CA GLY A 100 12.208 15.022 1.226 1.00 0.00 C ATOM 955 C GLY A 100 10.761 15.024 0.740 1.00 0.00 C ATOM 956 O GLY A 100 9.994 15.935 1.056 1.00 0.00 O ATOM 0 H GLY A 100 13.889 14.102 0.363 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.331 14.276 2.011 1.00 0.00 H new ATOM 0 HA3 GLY A 100 12.450 15.990 1.665 1.00 0.00 H new ATOM 960 N GLY A 101 10.398 14.013 -0.040 1.00 0.00 N ATOM 961 CA GLY A 101 9.043 13.925 -0.575 1.00 0.00 C ATOM 962 C GLY A 101 8.009 13.831 0.542 1.00 0.00 C ATOM 963 O GLY A 101 6.846 14.189 0.349 1.00 0.00 O ATOM 0 H GLY A 101 11.015 13.249 -0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.836 14.800 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 101 8.962 13.052 -1.223 1.00 0.00 H new ATOM 967 N ALA A 102 8.429 13.361 1.711 1.00 0.00 N ATOM 968 CA ALA A 102 7.511 13.247 2.839 1.00 0.00 C ATOM 969 C ALA A 102 7.220 14.629 3.413 1.00 0.00 C ATOM 970 O ALA A 102 6.093 15.117 3.344 1.00 0.00 O ATOM 971 CB ALA A 102 8.117 12.356 3.924 1.00 0.00 C ATOM 0 H ALA A 102 9.384 13.057 1.902 1.00 0.00 H new ATOM 0 HA ALA A 102 6.581 12.799 2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.423 12.278 4.761 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.306 11.363 3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.055 12.791 4.270 1.00 0.00 H new ATOM 977 N ASN A 103 8.247 15.254 3.981 1.00 0.00 N ATOM 978 CA ASN A 103 8.087 16.580 4.566 1.00 0.00 C ATOM 979 C ASN A 103 6.951 16.574 5.583 1.00 0.00 C ATOM 980 O ASN A 103 6.060 17.422 5.537 1.00 0.00 O ATOM 981 CB ASN A 103 7.788 17.600 3.466 1.00 0.00 C ATOM 982 CG ASN A 103 8.002 19.015 3.993 1.00 0.00 C ATOM 983 OD1 ASN A 103 8.893 19.244 4.812 1.00 0.00 O ATOM 984 ND2 ASN A 103 7.236 19.981 3.570 1.00 0.00 N ATOM 0 H ASN A 103 9.189 14.868 4.048 1.00 0.00 H new ATOM 0 HA ASN A 103 9.013 16.855 5.071 1.00 0.00 H new ATOM 0 HB2 ASN A 103 8.435 17.421 2.608 1.00 0.00 H new ATOM 0 HB3 ASN A 103 6.761 17.484 3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 103 7.373 20.930 3.917 1.00 0.00 H new ATOM 0 HD22 ASN A 103 6.499 19.788 2.892 1.00 0.00 H new ATOM 991 N ARG A 104 6.987 15.600 6.489 1.00 0.00 N ATOM 992 CA ARG A 104 5.959 15.466 7.517 1.00 0.00 C ATOM 993 C ARG A 104 4.586 15.266 6.882 1.00 0.00 C ATOM 994 O ARG A 104 4.476 15.059 5.674 1.00 0.00 O ATOM 995 CB ARG A 104 5.937 16.705 8.420 1.00 0.00 C ATOM 996 CG ARG A 104 7.295 16.863 9.103 1.00 0.00 C ATOM 997 CD ARG A 104 7.351 18.208 9.827 1.00 0.00 C ATOM 998 NE ARG A 104 7.272 19.303 8.866 1.00 0.00 N ATOM 999 CZ ARG A 104 7.226 20.568 9.270 1.00 0.00 C ATOM 1000 NH1 ARG A 104 7.157 21.532 8.392 1.00 0.00 N ATOM 1001 NH2 ARG A 104 7.249 20.848 10.544 1.00 0.00 N ATOM 0 H ARG A 104 7.719 14.891 6.532 1.00 0.00 H new ATOM 0 HA ARG A 104 6.198 14.591 8.122 1.00 0.00 H new ATOM 0 HB2 ARG A 104 5.709 17.593 7.831 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.151 16.608 9.169 1.00 0.00 H new ATOM 0 HG2 ARG A 104 7.454 16.050 9.812 1.00 0.00 H new ATOM 0 HG3 ARG A 104 8.094 16.803 8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 104 6.529 18.280 10.539 1.00 0.00 H new ATOM 0 HD3 ARG A 104 8.276 18.283 10.399 1.00 0.00 H new ATOM 0 HE ARG A 104 7.252 19.094 7.868 1.00 0.00 H new ATOM 0 HH11 ARG A 104 7.138 21.314 7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.122 22.503 8.702 1.00 0.00 H new ATOM 0 HH21 ARG A 104 7.302 20.096 11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 104 7.214 21.819 10.853 1.00 0.00 H new ATOM 1015 N LYS A 105 3.545 15.320 7.708 1.00 0.00 N ATOM 1016 CA LYS A 105 2.181 15.132 7.227 1.00 0.00 C ATOM 1017 C LYS A 105 1.269 16.251 7.720 1.00 0.00 C ATOM 1018 O LYS A 105 0.046 16.162 7.600 1.00 0.00 O ATOM 1019 CB LYS A 105 1.659 13.790 7.729 1.00 0.00 C ATOM 1020 CG LYS A 105 1.710 13.785 9.257 1.00 0.00 C ATOM 1021 CD LYS A 105 1.314 12.410 9.784 1.00 0.00 C ATOM 1022 CE LYS A 105 1.348 12.434 11.309 1.00 0.00 C ATOM 1023 NZ LYS A 105 2.732 12.742 11.770 1.00 0.00 N ATOM 0 H LYS A 105 3.620 15.492 8.711 1.00 0.00 H new ATOM 0 HA LYS A 105 2.187 15.151 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 105 0.637 13.629 7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 105 2.263 12.976 7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.714 14.039 9.597 1.00 0.00 H new ATOM 0 HG3 LYS A 105 1.037 14.544 9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 105 0.316 12.146 9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 105 1.997 11.650 9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 105 0.652 13.183 11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 105 1.027 11.471 11.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.851 12.419 12.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.418 12.254 11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 2.894 13.768 11.721 1.00 0.00 H new ATOM 1037 N VAL A 106 1.862 17.297 8.287 1.00 0.00 N ATOM 1038 CA VAL A 106 1.075 18.409 8.804 1.00 0.00 C ATOM 1039 C VAL A 106 0.115 18.924 7.737 1.00 0.00 C ATOM 1040 O VAL A 106 -1.054 19.187 8.017 1.00 0.00 O ATOM 1041 CB VAL A 106 2.001 19.541 9.248 1.00 0.00 C ATOM 1042 CG1 VAL A 106 2.658 20.176 8.021 1.00 0.00 C ATOM 1043 CG2 VAL A 106 1.188 20.601 9.997 1.00 0.00 C ATOM 0 H VAL A 106 2.871 17.397 8.399 1.00 0.00 H new ATOM 0 HA VAL A 106 0.497 18.056 9.659 1.00 0.00 H new ATOM 0 HB VAL A 106 2.772 19.141 9.906 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.318 20.983 8.339 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.237 19.422 7.487 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.888 20.576 7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.848 21.409 10.314 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.416 21.000 9.339 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.721 20.150 10.872 1.00 0.00 H new ATOM 1053 N ASN A 107 0.611 19.066 6.513 1.00 0.00 N ATOM 1054 CA ASN A 107 -0.218 19.551 5.416 1.00 0.00 C ATOM 1055 C ASN A 107 -1.043 18.418 4.824 1.00 0.00 C ATOM 1056 O ASN A 107 -0.502 17.442 4.305 1.00 0.00 O ATOM 1057 CB ASN A 107 0.651 20.167 4.326 1.00 0.00 C ATOM 1058 CG ASN A 107 -0.226 20.669 3.184 1.00 0.00 C ATOM 1059 OD1 ASN A 107 -0.397 19.977 2.181 1.00 0.00 O ATOM 1060 ND2 ASN A 107 -0.795 21.839 3.278 1.00 0.00 N ATOM 0 H ASN A 107 1.575 18.854 6.257 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.891 20.311 5.813 1.00 0.00 H new ATOM 0 HB2 ASN A 107 1.235 20.991 4.737 1.00 0.00 H new ATOM 0 HB3 ASN A 107 1.360 19.428 3.953 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -1.383 22.182 2.519 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -0.652 22.410 4.111 1.00 0.00 H new ATOM 1067 N ASP A 108 -2.358 18.561 4.906 1.00 0.00 N ATOM 1068 CA ASP A 108 -3.264 17.550 4.376 1.00 0.00 C ATOM 1069 C ASP A 108 -4.432 18.205 3.648 1.00 0.00 C ATOM 1070 O ASP A 108 -4.903 19.227 4.123 1.00 0.00 O ATOM 1071 CB ASP A 108 -3.796 16.676 5.515 1.00 0.00 C ATOM 1072 CG ASP A 108 -4.722 15.603 4.957 1.00 0.00 C ATOM 1073 OD1 ASP A 108 -5.002 15.646 3.770 1.00 0.00 O ATOM 1074 OD2 ASP A 108 -5.137 14.750 5.725 1.00 0.00 O ATOM 0 H ASP A 108 -2.821 19.364 5.333 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.712 16.930 3.669 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.966 16.211 6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.332 17.292 6.237 1.00 0.00 H new TER 1079 ASP A 108