USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 563 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 46 LYS NZ :NH3+ -170:sc= 0.00193 (180deg=0) USER MOD Set 1.2: A 66 THR OG1 : rot 150:sc= 0.0018 USER MOD Set 2.1: A 32 SER OG : rot 85:sc= 0.428 USER MOD Set 2.2: A 37 THR OG1 : rot 90:sc= -0.452 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= -0.234 (180deg=-0.241) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -160:sc= -1.14 USER MOD Single : A 23 SER OG : rot 131:sc= 0.203 USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0.00396 (180deg=0.00237) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0.0217 X(o=0.022,f=0.11) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc=-0.000437 X(o=-0.00044,f=-0.2) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -28:sc= 0.17 USER MOD Single : A 60 TYR OH : rot 30:sc= -1.22 USER MOD Single : A 63 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=-0.36) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.143 F(o=-1.1,f=-0.14) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -26:sc= 0.615 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.599 5.951 6.337 1.00 0.56 N ATOM 2 CA MET A 1 9.551 4.961 5.946 1.00 0.41 C ATOM 3 C MET A 1 8.191 5.399 6.499 1.00 0.39 C ATOM 4 O MET A 1 8.096 5.920 7.598 1.00 0.54 O ATOM 5 CB MET A 1 9.909 3.586 6.516 1.00 0.59 C ATOM 6 CG MET A 1 10.643 2.764 5.454 1.00 0.68 C ATOM 7 SD MET A 1 10.924 1.088 6.078 1.00 1.00 S ATOM 8 CE MET A 1 11.616 0.384 4.561 1.00 1.51 C ATOM 0 H1 MET A 1 11.529 5.485 6.351 1.00 0.56 H new ATOM 0 H2 MET A 1 10.613 6.732 5.650 1.00 0.56 H new ATOM 0 H3 MET A 1 10.386 6.327 7.283 1.00 0.56 H new ATOM 0 HA MET A 1 9.499 4.906 4.859 1.00 0.41 H new ATOM 0 HB2 MET A 1 10.537 3.700 7.400 1.00 0.59 H new ATOM 0 HB3 MET A 1 9.005 3.066 6.832 1.00 0.59 H new ATOM 0 HG2 MET A 1 10.056 2.728 4.536 1.00 0.68 H new ATOM 0 HG3 MET A 1 11.594 3.236 5.206 1.00 0.68 H new ATOM 0 HE1 MET A 1 11.864 -0.664 4.727 1.00 1.51 H new ATOM 0 HE2 MET A 1 10.884 0.461 3.757 1.00 1.51 H new ATOM 0 HE3 MET A 1 12.517 0.931 4.284 1.00 1.51 H new ATOM 18 N ILE A 2 7.139 5.185 5.746 1.00 0.30 N ATOM 19 CA ILE A 2 5.776 5.581 6.217 1.00 0.32 C ATOM 20 C ILE A 2 4.863 4.355 6.260 1.00 0.29 C ATOM 21 O ILE A 2 5.108 3.358 5.604 1.00 0.28 O ATOM 22 CB ILE A 2 5.172 6.626 5.272 1.00 0.34 C ATOM 23 CG1 ILE A 2 5.083 6.060 3.849 1.00 0.35 C ATOM 24 CG2 ILE A 2 6.051 7.876 5.263 1.00 0.39 C ATOM 25 CD1 ILE A 2 3.972 6.776 3.079 1.00 0.49 C ATOM 0 H ILE A 2 7.167 4.752 4.823 1.00 0.30 H new ATOM 0 HA ILE A 2 5.864 6.007 7.217 1.00 0.32 H new ATOM 0 HB ILE A 2 4.171 6.882 5.620 1.00 0.34 H new ATOM 0 HG12 ILE A 2 6.036 6.189 3.336 1.00 0.35 H new ATOM 0 HG13 ILE A 2 4.882 4.989 3.885 1.00 0.35 H new ATOM 0 HG21 ILE A 2 5.621 8.618 4.591 1.00 0.39 H new ATOM 0 HG22 ILE A 2 6.108 8.288 6.270 1.00 0.39 H new ATOM 0 HG23 ILE A 2 7.052 7.614 4.921 1.00 0.39 H new ATOM 0 HD11 ILE A 2 3.911 6.372 2.068 1.00 0.49 H new ATOM 0 HD12 ILE A 2 3.020 6.625 3.588 1.00 0.49 H new ATOM 0 HD13 ILE A 2 4.192 7.842 3.031 1.00 0.49 H new ATOM 37 N GLU A 3 3.801 4.435 7.019 1.00 0.34 N ATOM 38 CA GLU A 3 2.848 3.291 7.111 1.00 0.35 C ATOM 39 C GLU A 3 1.634 3.581 6.222 1.00 0.35 C ATOM 40 O GLU A 3 1.085 4.667 6.246 1.00 0.51 O ATOM 41 CB GLU A 3 2.400 3.115 8.565 1.00 0.48 C ATOM 42 CG GLU A 3 2.398 1.627 8.934 1.00 0.59 C ATOM 43 CD GLU A 3 1.140 0.953 8.372 1.00 0.63 C ATOM 44 OE1 GLU A 3 0.087 1.110 8.970 1.00 0.93 O ATOM 45 OE2 GLU A 3 1.252 0.291 7.353 1.00 0.83 O ATOM 0 H GLU A 3 3.552 5.249 7.582 1.00 0.34 H new ATOM 0 HA GLU A 3 3.334 2.375 6.776 1.00 0.35 H new ATOM 0 HB2 GLU A 3 3.069 3.662 9.229 1.00 0.48 H new ATOM 0 HB3 GLU A 3 1.403 3.534 8.701 1.00 0.48 H new ATOM 0 HG2 GLU A 3 3.290 1.143 8.535 1.00 0.59 H new ATOM 0 HG3 GLU A 3 2.430 1.512 10.017 1.00 0.59 H new ATOM 52 N VAL A 4 1.216 2.619 5.438 1.00 0.27 N ATOM 53 CA VAL A 4 0.037 2.832 4.538 1.00 0.34 C ATOM 54 C VAL A 4 -0.907 1.628 4.636 1.00 0.29 C ATOM 55 O VAL A 4 -0.477 0.503 4.826 1.00 0.39 O ATOM 56 CB VAL A 4 0.503 3.010 3.083 1.00 0.46 C ATOM 57 CG1 VAL A 4 0.993 4.446 2.871 1.00 1.12 C ATOM 58 CG2 VAL A 4 1.644 2.035 2.767 1.00 0.71 C ATOM 0 H VAL A 4 1.640 1.693 5.381 1.00 0.27 H new ATOM 0 HA VAL A 4 -0.490 3.734 4.851 1.00 0.34 H new ATOM 0 HB VAL A 4 -0.337 2.805 2.419 1.00 0.46 H new ATOM 0 HG11 VAL A 4 1.323 4.569 1.839 1.00 1.12 H new ATOM 0 HG12 VAL A 4 0.180 5.142 3.078 1.00 1.12 H new ATOM 0 HG13 VAL A 4 1.825 4.650 3.545 1.00 1.12 H new ATOM 0 HG21 VAL A 4 1.964 2.172 1.734 1.00 0.71 H new ATOM 0 HG22 VAL A 4 2.483 2.228 3.435 1.00 0.71 H new ATOM 0 HG23 VAL A 4 1.297 1.011 2.907 1.00 0.71 H new ATOM 68 N VAL A 5 -2.191 1.861 4.508 1.00 0.30 N ATOM 69 CA VAL A 5 -3.179 0.740 4.592 1.00 0.29 C ATOM 70 C VAL A 5 -3.842 0.536 3.224 1.00 0.30 C ATOM 71 O VAL A 5 -4.257 1.483 2.581 1.00 0.49 O ATOM 72 CB VAL A 5 -4.248 1.060 5.652 1.00 0.34 C ATOM 73 CG1 VAL A 5 -3.598 1.093 7.038 1.00 0.47 C ATOM 74 CG2 VAL A 5 -4.892 2.423 5.361 1.00 0.50 C ATOM 0 H VAL A 5 -2.598 2.782 4.348 1.00 0.30 H new ATOM 0 HA VAL A 5 -2.661 -0.175 4.880 1.00 0.29 H new ATOM 0 HB VAL A 5 -5.017 0.289 5.622 1.00 0.34 H new ATOM 0 HG11 VAL A 5 -4.354 1.320 7.789 1.00 0.47 H new ATOM 0 HG12 VAL A 5 -3.152 0.122 7.254 1.00 0.47 H new ATOM 0 HG13 VAL A 5 -2.824 1.861 7.059 1.00 0.47 H new ATOM 0 HG21 VAL A 5 -5.646 2.638 6.118 1.00 0.50 H new ATOM 0 HG22 VAL A 5 -4.127 3.199 5.381 1.00 0.50 H new ATOM 0 HG23 VAL A 5 -5.361 2.401 4.377 1.00 0.50 H new ATOM 84 N VAL A 6 -3.941 -0.695 2.777 1.00 0.27 N ATOM 85 CA VAL A 6 -4.574 -0.969 1.447 1.00 0.29 C ATOM 86 C VAL A 6 -5.867 -1.770 1.647 1.00 0.28 C ATOM 87 O VAL A 6 -5.920 -2.686 2.447 1.00 0.36 O ATOM 88 CB VAL A 6 -3.602 -1.756 0.556 1.00 0.34 C ATOM 89 CG1 VAL A 6 -2.397 -0.875 0.213 1.00 0.48 C ATOM 90 CG2 VAL A 6 -3.115 -3.014 1.285 1.00 0.46 C ATOM 0 H VAL A 6 -3.611 -1.521 3.276 1.00 0.27 H new ATOM 0 HA VAL A 6 -4.810 -0.023 0.961 1.00 0.29 H new ATOM 0 HB VAL A 6 -4.120 -2.050 -0.357 1.00 0.34 H new ATOM 0 HG11 VAL A 6 -1.707 -1.433 -0.419 1.00 0.48 H new ATOM 0 HG12 VAL A 6 -2.736 0.015 -0.317 1.00 0.48 H new ATOM 0 HG13 VAL A 6 -1.890 -0.579 1.131 1.00 0.48 H new ATOM 0 HG21 VAL A 6 -2.427 -3.563 0.643 1.00 0.46 H new ATOM 0 HG22 VAL A 6 -2.603 -2.727 2.204 1.00 0.46 H new ATOM 0 HG23 VAL A 6 -3.968 -3.647 1.528 1.00 0.46 H new ATOM 100 N ASN A 7 -6.911 -1.423 0.928 1.00 0.26 N ATOM 101 CA ASN A 7 -8.209 -2.151 1.075 1.00 0.27 C ATOM 102 C ASN A 7 -8.373 -3.160 -0.068 1.00 0.25 C ATOM 103 O ASN A 7 -8.555 -2.792 -1.215 1.00 0.32 O ATOM 104 CB ASN A 7 -9.365 -1.144 1.048 1.00 0.34 C ATOM 105 CG ASN A 7 -9.643 -0.649 2.471 1.00 0.55 C ATOM 106 OD1 ASN A 7 -10.552 -1.122 3.123 1.00 0.83 O ATOM 107 ND2 ASN A 7 -8.893 0.290 2.983 1.00 0.83 N ATOM 0 H ASN A 7 -6.917 -0.665 0.245 1.00 0.26 H new ATOM 0 HA ASN A 7 -8.217 -2.686 2.024 1.00 0.27 H new ATOM 0 HB2 ASN A 7 -9.114 -0.303 0.401 1.00 0.34 H new ATOM 0 HB3 ASN A 7 -10.258 -1.610 0.632 1.00 0.34 H new ATOM 0 HD21 ASN A 7 -9.071 0.625 3.930 1.00 0.83 H new ATOM 0 HD22 ASN A 7 -8.129 0.688 2.436 1.00 0.83 H new ATOM 114 N ASP A 8 -8.312 -4.433 0.250 1.00 0.30 N ATOM 115 CA ASP A 8 -8.464 -5.498 -0.793 1.00 0.34 C ATOM 116 C ASP A 8 -9.885 -5.465 -1.374 1.00 0.36 C ATOM 117 O ASP A 8 -10.815 -4.991 -0.743 1.00 0.50 O ATOM 118 CB ASP A 8 -8.210 -6.874 -0.161 1.00 0.40 C ATOM 119 CG ASP A 8 -6.718 -7.037 0.157 1.00 0.55 C ATOM 120 OD1 ASP A 8 -6.293 -6.545 1.190 1.00 0.74 O ATOM 121 OD2 ASP A 8 -6.028 -7.656 -0.637 1.00 0.75 O ATOM 0 H ASP A 8 -8.162 -4.782 1.197 1.00 0.30 H new ATOM 0 HA ASP A 8 -7.743 -5.319 -1.591 1.00 0.34 H new ATOM 0 HB2 ASP A 8 -8.798 -6.979 0.751 1.00 0.40 H new ATOM 0 HB3 ASP A 8 -8.534 -7.661 -0.842 1.00 0.40 H new ATOM 198 N LYS A 13 -8.020 -5.491 4.842 1.00 0.55 N ATOM 199 CA LYS A 13 -6.998 -4.403 4.714 1.00 0.49 C ATOM 200 C LYS A 13 -5.620 -4.910 5.160 1.00 0.46 C ATOM 201 O LYS A 13 -5.505 -5.729 6.055 1.00 0.67 O ATOM 202 CB LYS A 13 -7.412 -3.193 5.561 1.00 0.64 C ATOM 203 CG LYS A 13 -7.346 -3.544 7.049 1.00 0.79 C ATOM 204 CD LYS A 13 -8.330 -2.663 7.821 1.00 1.42 C ATOM 205 CE LYS A 13 -8.979 -3.479 8.940 1.00 2.03 C ATOM 206 NZ LYS A 13 -9.615 -2.556 9.921 1.00 2.64 N ATOM 0 HA LYS A 13 -6.937 -4.101 3.668 1.00 0.49 H new ATOM 0 HB2 LYS A 13 -6.755 -2.349 5.349 1.00 0.64 H new ATOM 0 HB3 LYS A 13 -8.423 -2.884 5.297 1.00 0.64 H new ATOM 0 HG2 LYS A 13 -7.589 -4.596 7.197 1.00 0.79 H new ATOM 0 HG3 LYS A 13 -6.334 -3.394 7.425 1.00 0.79 H new ATOM 0 HD2 LYS A 13 -7.811 -1.801 8.240 1.00 1.42 H new ATOM 0 HD3 LYS A 13 -9.095 -2.278 7.147 1.00 1.42 H new ATOM 0 HE2 LYS A 13 -9.725 -4.157 8.525 1.00 2.03 H new ATOM 0 HE3 LYS A 13 -8.230 -4.095 9.437 1.00 2.03 H new ATOM 0 HZ1 LYS A 13 -10.057 -3.110 10.683 1.00 2.64 H new ATOM 0 HZ2 LYS A 13 -8.892 -1.927 10.325 1.00 2.64 H new ATOM 0 HZ3 LYS A 13 -10.341 -1.986 9.441 1.00 2.64 H new ATOM 220 N VAL A 14 -4.577 -4.421 4.530 1.00 0.35 N ATOM 221 CA VAL A 14 -3.192 -4.857 4.887 1.00 0.36 C ATOM 222 C VAL A 14 -2.349 -3.631 5.256 1.00 0.32 C ATOM 223 O VAL A 14 -2.501 -2.562 4.688 1.00 0.38 O ATOM 224 CB VAL A 14 -2.558 -5.582 3.690 1.00 0.44 C ATOM 225 CG1 VAL A 14 -1.248 -6.254 4.117 1.00 0.58 C ATOM 226 CG2 VAL A 14 -3.525 -6.653 3.173 1.00 0.55 C ATOM 0 H VAL A 14 -4.629 -3.733 3.778 1.00 0.35 H new ATOM 0 HA VAL A 14 -3.232 -5.536 5.739 1.00 0.36 H new ATOM 0 HB VAL A 14 -2.352 -4.856 2.904 1.00 0.44 H new ATOM 0 HG11 VAL A 14 -0.806 -6.765 3.262 1.00 0.58 H new ATOM 0 HG12 VAL A 14 -0.555 -5.498 4.486 1.00 0.58 H new ATOM 0 HG13 VAL A 14 -1.451 -6.977 4.907 1.00 0.58 H new ATOM 0 HG21 VAL A 14 -3.077 -7.168 2.324 1.00 0.55 H new ATOM 0 HG22 VAL A 14 -3.730 -7.372 3.967 1.00 0.55 H new ATOM 0 HG23 VAL A 14 -4.457 -6.182 2.861 1.00 0.55 H new ATOM 236 N ARG A 15 -1.460 -3.785 6.206 1.00 0.29 N ATOM 237 CA ARG A 15 -0.591 -2.649 6.631 1.00 0.29 C ATOM 238 C ARG A 15 0.828 -2.894 6.112 1.00 0.29 C ATOM 239 O ARG A 15 1.439 -3.908 6.404 1.00 0.40 O ATOM 240 CB ARG A 15 -0.580 -2.557 8.161 1.00 0.35 C ATOM 241 CG ARG A 15 -1.771 -1.715 8.636 1.00 0.45 C ATOM 242 CD ARG A 15 -3.058 -2.547 8.571 1.00 0.61 C ATOM 243 NE ARG A 15 -3.632 -2.684 9.942 1.00 1.08 N ATOM 244 CZ ARG A 15 -4.793 -2.152 10.226 1.00 1.34 C ATOM 245 NH1 ARG A 15 -4.864 -0.895 10.584 1.00 2.12 N ATOM 246 NH2 ARG A 15 -5.882 -2.875 10.149 1.00 1.42 N ATOM 0 H ARG A 15 -1.299 -4.658 6.708 1.00 0.29 H new ATOM 0 HA ARG A 15 -0.973 -1.713 6.224 1.00 0.29 H new ATOM 0 HB2 ARG A 15 -0.632 -3.555 8.596 1.00 0.35 H new ATOM 0 HB3 ARG A 15 0.354 -2.109 8.501 1.00 0.35 H new ATOM 0 HG2 ARG A 15 -1.601 -1.372 9.656 1.00 0.45 H new ATOM 0 HG3 ARG A 15 -1.870 -0.826 8.013 1.00 0.45 H new ATOM 0 HD2 ARG A 15 -3.780 -2.069 7.909 1.00 0.61 H new ATOM 0 HD3 ARG A 15 -2.847 -3.531 8.154 1.00 0.61 H new ATOM 0 HE ARG A 15 -3.117 -3.194 10.660 1.00 1.08 H new ATOM 0 HH11 ARG A 15 -4.015 -0.332 10.641 1.00 2.12 H new ATOM 0 HH12 ARG A 15 -5.768 -0.478 10.806 1.00 2.12 H new ATOM 0 HH21 ARG A 15 -5.826 -3.854 9.867 1.00 1.42 H new ATOM 0 HH22 ARG A 15 -6.787 -2.459 10.371 1.00 1.42 H new ATOM 260 N VAL A 16 1.346 -1.979 5.330 1.00 0.28 N ATOM 261 CA VAL A 16 2.718 -2.146 4.764 1.00 0.29 C ATOM 262 C VAL A 16 3.537 -0.870 5.010 1.00 0.28 C ATOM 263 O VAL A 16 3.030 0.233 4.911 1.00 0.34 O ATOM 264 CB VAL A 16 2.603 -2.432 3.258 1.00 0.33 C ATOM 265 CG1 VAL A 16 1.962 -1.239 2.541 1.00 0.39 C ATOM 266 CG2 VAL A 16 3.993 -2.698 2.669 1.00 0.44 C ATOM 0 H VAL A 16 0.872 -1.117 5.058 1.00 0.28 H new ATOM 0 HA VAL A 16 3.225 -2.980 5.250 1.00 0.29 H new ATOM 0 HB VAL A 16 1.976 -3.312 3.116 1.00 0.33 H new ATOM 0 HG11 VAL A 16 1.886 -1.453 1.475 1.00 0.39 H new ATOM 0 HG12 VAL A 16 0.966 -1.062 2.948 1.00 0.39 H new ATOM 0 HG13 VAL A 16 2.577 -0.352 2.690 1.00 0.39 H new ATOM 0 HG21 VAL A 16 3.903 -2.900 1.602 1.00 0.44 H new ATOM 0 HG22 VAL A 16 4.626 -1.824 2.821 1.00 0.44 H new ATOM 0 HG23 VAL A 16 4.439 -3.560 3.165 1.00 0.44 H new ATOM 276 N LYS A 17 4.797 -1.018 5.336 1.00 0.27 N ATOM 277 CA LYS A 17 5.656 0.178 5.595 1.00 0.28 C ATOM 278 C LYS A 17 6.661 0.347 4.448 1.00 0.29 C ATOM 279 O LYS A 17 7.401 -0.565 4.118 1.00 0.43 O ATOM 280 CB LYS A 17 6.403 -0.013 6.919 1.00 0.33 C ATOM 281 CG LYS A 17 7.000 1.322 7.372 1.00 0.42 C ATOM 282 CD LYS A 17 7.032 1.380 8.902 1.00 0.83 C ATOM 283 CE LYS A 17 7.368 2.807 9.351 1.00 0.98 C ATOM 284 NZ LYS A 17 6.351 3.280 10.336 1.00 1.31 N ATOM 0 H LYS A 17 5.268 -1.917 5.434 1.00 0.27 H new ATOM 0 HA LYS A 17 5.033 1.071 5.657 1.00 0.28 H new ATOM 0 HB2 LYS A 17 5.722 -0.395 7.680 1.00 0.33 H new ATOM 0 HB3 LYS A 17 7.194 -0.754 6.798 1.00 0.33 H new ATOM 0 HG2 LYS A 17 8.008 1.435 6.973 1.00 0.42 H new ATOM 0 HG3 LYS A 17 6.407 2.148 6.979 1.00 0.42 H new ATOM 0 HD2 LYS A 17 6.067 1.077 9.309 1.00 0.83 H new ATOM 0 HD3 LYS A 17 7.774 0.681 9.288 1.00 0.83 H new ATOM 0 HE2 LYS A 17 8.361 2.833 9.799 1.00 0.98 H new ATOM 0 HE3 LYS A 17 7.390 3.474 8.489 1.00 0.98 H new ATOM 0 HZ1 LYS A 17 6.583 4.248 10.637 1.00 1.31 H new ATOM 0 HZ2 LYS A 17 5.410 3.272 9.894 1.00 1.31 H new ATOM 0 HZ3 LYS A 17 6.351 2.651 11.164 1.00 1.31 H new ATOM 298 N CYS A 18 6.689 1.512 3.838 1.00 0.24 N ATOM 299 CA CYS A 18 7.641 1.759 2.709 1.00 0.27 C ATOM 300 C CYS A 18 7.990 3.251 2.642 1.00 0.26 C ATOM 301 O CYS A 18 7.225 4.097 3.067 1.00 0.31 O ATOM 302 CB CYS A 18 6.994 1.333 1.386 1.00 0.32 C ATOM 303 SG CYS A 18 7.845 -0.128 0.736 1.00 0.65 S ATOM 0 H CYS A 18 6.091 2.303 4.076 1.00 0.24 H new ATOM 0 HA CYS A 18 8.549 1.179 2.876 1.00 0.27 H new ATOM 0 HB2 CYS A 18 5.938 1.112 1.541 1.00 0.32 H new ATOM 0 HB3 CYS A 18 7.047 2.148 0.664 1.00 0.32 H new ATOM 0 HG CYS A 18 7.604 -0.240 -0.536 1.00 0.65 H new ATOM 309 N LEU A 19 9.140 3.574 2.097 1.00 0.28 N ATOM 310 CA LEU A 19 9.549 5.008 1.985 1.00 0.29 C ATOM 311 C LEU A 19 8.826 5.650 0.794 1.00 0.29 C ATOM 312 O LEU A 19 8.514 4.991 -0.184 1.00 0.30 O ATOM 313 CB LEU A 19 11.065 5.097 1.770 1.00 0.31 C ATOM 314 CG LEU A 19 11.718 5.812 2.956 1.00 0.49 C ATOM 315 CD1 LEU A 19 13.123 5.248 3.180 1.00 0.72 C ATOM 316 CD2 LEU A 19 11.813 7.314 2.663 1.00 0.74 C ATOM 0 H LEU A 19 9.813 2.904 1.725 1.00 0.28 H new ATOM 0 HA LEU A 19 9.284 5.534 2.902 1.00 0.29 H new ATOM 0 HB2 LEU A 19 11.485 4.097 1.661 1.00 0.31 H new ATOM 0 HB3 LEU A 19 11.279 5.635 0.847 1.00 0.31 H new ATOM 0 HG LEU A 19 11.114 5.655 3.850 1.00 0.49 H new ATOM 0 HD11 LEU A 19 13.589 5.756 4.024 1.00 0.72 H new ATOM 0 HD12 LEU A 19 13.057 4.181 3.391 1.00 0.72 H new ATOM 0 HD13 LEU A 19 13.725 5.405 2.285 1.00 0.72 H new ATOM 0 HD21 LEU A 19 12.278 7.821 3.508 1.00 0.74 H new ATOM 0 HD22 LEU A 19 12.415 7.473 1.769 1.00 0.74 H new ATOM 0 HD23 LEU A 19 10.813 7.718 2.503 1.00 0.74 H new ATOM 328 N ALA A 20 8.563 6.934 0.870 1.00 0.33 N ATOM 329 CA ALA A 20 7.865 7.636 -0.253 1.00 0.36 C ATOM 330 C ALA A 20 8.772 7.680 -1.494 1.00 0.34 C ATOM 331 O ALA A 20 8.304 7.866 -2.602 1.00 0.39 O ATOM 332 CB ALA A 20 7.517 9.064 0.176 1.00 0.42 C ATOM 0 H ALA A 20 8.803 7.527 1.665 1.00 0.33 H new ATOM 0 HA ALA A 20 6.952 7.094 -0.499 1.00 0.36 H new ATOM 0 HB1 ALA A 20 7.009 9.576 -0.641 1.00 0.42 H new ATOM 0 HB2 ALA A 20 6.863 9.033 1.047 1.00 0.42 H new ATOM 0 HB3 ALA A 20 8.431 9.601 0.428 1.00 0.42 H new ATOM 338 N GLU A 21 10.064 7.501 -1.316 1.00 0.34 N ATOM 339 CA GLU A 21 11.006 7.522 -2.479 1.00 0.36 C ATOM 340 C GLU A 21 10.956 6.180 -3.224 1.00 0.31 C ATOM 341 O GLU A 21 11.416 6.076 -4.347 1.00 0.35 O ATOM 342 CB GLU A 21 12.436 7.775 -1.978 1.00 0.43 C ATOM 343 CG GLU A 21 12.855 6.668 -0.998 1.00 0.43 C ATOM 344 CD GLU A 21 13.819 5.695 -1.688 1.00 0.51 C ATOM 345 OE1 GLU A 21 14.975 6.054 -1.854 1.00 0.72 O ATOM 346 OE2 GLU A 21 13.388 4.608 -2.033 1.00 0.55 O ATOM 0 H GLU A 21 10.505 7.341 -0.410 1.00 0.34 H new ATOM 0 HA GLU A 21 10.709 8.319 -3.160 1.00 0.36 H new ATOM 0 HB2 GLU A 21 13.125 7.805 -2.822 1.00 0.43 H new ATOM 0 HB3 GLU A 21 12.491 8.746 -1.487 1.00 0.43 H new ATOM 0 HG2 GLU A 21 13.333 7.108 -0.123 1.00 0.43 H new ATOM 0 HG3 GLU A 21 11.975 6.131 -0.644 1.00 0.43 H new ATOM 353 N ASP A 22 10.409 5.153 -2.607 1.00 0.29 N ATOM 354 CA ASP A 22 10.337 3.820 -3.277 1.00 0.28 C ATOM 355 C ASP A 22 9.352 3.875 -4.450 1.00 0.25 C ATOM 356 O ASP A 22 8.365 4.591 -4.416 1.00 0.33 O ATOM 357 CB ASP A 22 9.872 2.761 -2.270 1.00 0.31 C ATOM 358 CG ASP A 22 11.066 2.287 -1.436 1.00 0.34 C ATOM 359 OD1 ASP A 22 11.787 1.421 -1.906 1.00 0.51 O ATOM 360 OD2 ASP A 22 11.238 2.797 -0.342 1.00 0.45 O ATOM 0 H ASP A 22 10.011 5.186 -1.668 1.00 0.29 H new ATOM 0 HA ASP A 22 11.326 3.558 -3.652 1.00 0.28 H new ATOM 0 HB2 ASP A 22 9.103 3.176 -1.619 1.00 0.31 H new ATOM 0 HB3 ASP A 22 9.424 1.917 -2.795 1.00 0.31 H new ATOM 365 N SER A 23 9.619 3.119 -5.488 1.00 0.26 N ATOM 366 CA SER A 23 8.711 3.110 -6.677 1.00 0.27 C ATOM 367 C SER A 23 7.473 2.250 -6.387 1.00 0.24 C ATOM 368 O SER A 23 7.452 1.469 -5.450 1.00 0.29 O ATOM 369 CB SER A 23 9.460 2.540 -7.888 1.00 0.33 C ATOM 370 OG SER A 23 9.858 1.200 -7.617 1.00 0.41 O ATOM 0 H SER A 23 10.430 2.505 -5.562 1.00 0.26 H new ATOM 0 HA SER A 23 8.393 4.130 -6.891 1.00 0.27 H new ATOM 0 HB2 SER A 23 8.820 2.569 -8.770 1.00 0.33 H new ATOM 0 HB3 SER A 23 10.335 3.152 -8.108 1.00 0.33 H new ATOM 0 HG SER A 23 9.601 0.624 -8.367 1.00 0.41 H new ATOM 376 N VAL A 24 6.446 2.382 -7.196 1.00 0.26 N ATOM 377 CA VAL A 24 5.203 1.571 -6.990 1.00 0.29 C ATOM 378 C VAL A 24 5.547 0.081 -7.121 1.00 0.27 C ATOM 379 O VAL A 24 5.008 -0.746 -6.409 1.00 0.31 O ATOM 380 CB VAL A 24 4.155 1.958 -8.041 1.00 0.36 C ATOM 381 CG1 VAL A 24 2.943 1.025 -7.937 1.00 0.41 C ATOM 382 CG2 VAL A 24 3.707 3.403 -7.804 1.00 0.42 C ATOM 0 H VAL A 24 6.416 3.019 -7.992 1.00 0.26 H new ATOM 0 HA VAL A 24 4.798 1.765 -5.997 1.00 0.29 H new ATOM 0 HB VAL A 24 4.593 1.867 -9.035 1.00 0.36 H new ATOM 0 HG11 VAL A 24 2.203 1.305 -8.686 1.00 0.41 H new ATOM 0 HG12 VAL A 24 3.260 -0.004 -8.108 1.00 0.41 H new ATOM 0 HG13 VAL A 24 2.503 1.109 -6.943 1.00 0.41 H new ATOM 0 HG21 VAL A 24 2.962 3.680 -8.550 1.00 0.42 H new ATOM 0 HG22 VAL A 24 3.273 3.491 -6.808 1.00 0.42 H new ATOM 0 HG23 VAL A 24 4.567 4.068 -7.885 1.00 0.42 H new ATOM 392 N GLY A 25 6.450 -0.261 -8.017 1.00 0.27 N ATOM 393 CA GLY A 25 6.847 -1.695 -8.187 1.00 0.30 C ATOM 394 C GLY A 25 7.390 -2.223 -6.856 1.00 0.27 C ATOM 395 O GLY A 25 7.014 -3.290 -6.407 1.00 0.32 O ATOM 0 H GLY A 25 6.927 0.394 -8.636 1.00 0.27 H new ATOM 0 HA2 GLY A 25 5.990 -2.288 -8.506 1.00 0.30 H new ATOM 0 HA3 GLY A 25 7.605 -1.786 -8.965 1.00 0.30 H new ATOM 399 N ASP A 26 8.257 -1.468 -6.217 1.00 0.27 N ATOM 400 CA ASP A 26 8.819 -1.898 -4.899 1.00 0.29 C ATOM 401 C ASP A 26 7.685 -1.949 -3.867 1.00 0.26 C ATOM 402 O ASP A 26 7.611 -2.856 -3.059 1.00 0.29 O ATOM 403 CB ASP A 26 9.883 -0.890 -4.443 1.00 0.36 C ATOM 404 CG ASP A 26 10.615 -1.430 -3.209 1.00 0.61 C ATOM 405 OD1 ASP A 26 10.159 -1.162 -2.108 1.00 0.81 O ATOM 406 OD2 ASP A 26 11.620 -2.099 -3.386 1.00 0.90 O ATOM 0 H ASP A 26 8.599 -0.569 -6.556 1.00 0.27 H new ATOM 0 HA ASP A 26 9.275 -2.883 -4.995 1.00 0.29 H new ATOM 0 HB2 ASP A 26 10.594 -0.709 -5.249 1.00 0.36 H new ATOM 0 HB3 ASP A 26 9.415 0.066 -4.210 1.00 0.36 H new ATOM 411 N PHE A 27 6.799 -0.978 -3.903 1.00 0.25 N ATOM 412 CA PHE A 27 5.650 -0.945 -2.947 1.00 0.26 C ATOM 413 C PHE A 27 4.804 -2.217 -3.116 1.00 0.24 C ATOM 414 O PHE A 27 4.365 -2.813 -2.147 1.00 0.28 O ATOM 415 CB PHE A 27 4.793 0.293 -3.245 1.00 0.30 C ATOM 416 CG PHE A 27 3.698 0.425 -2.213 1.00 0.30 C ATOM 417 CD1 PHE A 27 4.022 0.667 -0.873 1.00 0.41 C ATOM 418 CD2 PHE A 27 2.359 0.309 -2.601 1.00 0.42 C ATOM 419 CE1 PHE A 27 3.005 0.789 0.079 1.00 0.46 C ATOM 420 CE2 PHE A 27 1.342 0.432 -1.648 1.00 0.46 C ATOM 421 CZ PHE A 27 1.664 0.672 -0.309 1.00 0.40 C ATOM 0 H PHE A 27 6.827 -0.200 -4.562 1.00 0.25 H new ATOM 0 HA PHE A 27 6.019 -0.898 -1.923 1.00 0.26 H new ATOM 0 HB2 PHE A 27 5.417 1.187 -3.241 1.00 0.30 H new ATOM 0 HB3 PHE A 27 4.357 0.213 -4.241 1.00 0.30 H new ATOM 0 HD1 PHE A 27 5.056 0.759 -0.575 1.00 0.41 H new ATOM 0 HD2 PHE A 27 2.110 0.125 -3.636 1.00 0.42 H new ATOM 0 HE1 PHE A 27 3.253 0.973 1.114 1.00 0.46 H new ATOM 0 HE2 PHE A 27 0.308 0.342 -1.947 1.00 0.46 H new ATOM 0 HZ PHE A 27 0.879 0.767 0.426 1.00 0.40 H new ATOM 431 N LYS A 28 4.582 -2.635 -4.343 1.00 0.25 N ATOM 432 CA LYS A 28 3.776 -3.869 -4.596 1.00 0.27 C ATOM 433 C LYS A 28 4.576 -5.108 -4.170 1.00 0.26 C ATOM 434 O LYS A 28 4.013 -6.080 -3.704 1.00 0.31 O ATOM 435 CB LYS A 28 3.444 -3.968 -6.089 1.00 0.33 C ATOM 436 CG LYS A 28 2.131 -3.234 -6.368 1.00 0.38 C ATOM 437 CD LYS A 28 1.366 -3.950 -7.485 1.00 0.46 C ATOM 438 CE LYS A 28 1.363 -3.081 -8.748 1.00 0.45 C ATOM 439 NZ LYS A 28 0.211 -2.133 -8.703 1.00 0.67 N ATOM 0 H LYS A 28 4.928 -2.169 -5.182 1.00 0.25 H new ATOM 0 HA LYS A 28 2.853 -3.818 -4.019 1.00 0.27 H new ATOM 0 HB2 LYS A 28 4.249 -3.533 -6.681 1.00 0.33 H new ATOM 0 HB3 LYS A 28 3.359 -5.014 -6.385 1.00 0.33 H new ATOM 0 HG2 LYS A 28 1.524 -3.198 -5.463 1.00 0.38 H new ATOM 0 HG3 LYS A 28 2.334 -2.203 -6.656 1.00 0.38 H new ATOM 0 HD2 LYS A 28 1.829 -4.914 -7.696 1.00 0.46 H new ATOM 0 HD3 LYS A 28 0.343 -4.151 -7.167 1.00 0.46 H new ATOM 0 HE2 LYS A 28 2.299 -2.528 -8.823 1.00 0.45 H new ATOM 0 HE3 LYS A 28 1.294 -3.711 -9.635 1.00 0.45 H new ATOM 0 HZ1 LYS A 28 0.151 -1.616 -9.604 1.00 0.67 H new ATOM 0 HZ2 LYS A 28 -0.670 -2.664 -8.549 1.00 0.67 H new ATOM 0 HZ3 LYS A 28 0.348 -1.457 -7.925 1.00 0.67 H new ATOM 453 N LYS A 29 5.882 -5.077 -4.328 1.00 0.26 N ATOM 454 CA LYS A 29 6.728 -6.247 -3.934 1.00 0.28 C ATOM 455 C LYS A 29 6.643 -6.467 -2.419 1.00 0.24 C ATOM 456 O LYS A 29 6.507 -7.587 -1.959 1.00 0.30 O ATOM 457 CB LYS A 29 8.184 -5.984 -4.326 1.00 0.35 C ATOM 458 CG LYS A 29 8.362 -6.229 -5.825 1.00 0.41 C ATOM 459 CD LYS A 29 9.758 -5.774 -6.255 1.00 0.68 C ATOM 460 CE LYS A 29 9.700 -5.235 -7.686 1.00 0.99 C ATOM 461 NZ LYS A 29 10.840 -4.302 -7.920 1.00 1.37 N ATOM 0 H LYS A 29 6.397 -4.286 -4.715 1.00 0.26 H new ATOM 0 HA LYS A 29 6.365 -7.137 -4.449 1.00 0.28 H new ATOM 0 HB2 LYS A 29 8.458 -4.958 -4.079 1.00 0.35 H new ATOM 0 HB3 LYS A 29 8.848 -6.637 -3.759 1.00 0.35 H new ATOM 0 HG2 LYS A 29 8.228 -7.287 -6.050 1.00 0.41 H new ATOM 0 HG3 LYS A 29 7.602 -5.685 -6.386 1.00 0.41 H new ATOM 0 HD2 LYS A 29 10.125 -5.002 -5.579 1.00 0.68 H new ATOM 0 HD3 LYS A 29 10.458 -6.608 -6.197 1.00 0.68 H new ATOM 0 HE2 LYS A 29 9.741 -6.060 -8.397 1.00 0.99 H new ATOM 0 HE3 LYS A 29 8.755 -4.718 -7.852 1.00 0.99 H new ATOM 0 HZ1 LYS A 29 10.797 -3.938 -8.893 1.00 1.37 H new ATOM 0 HZ2 LYS A 29 10.782 -3.508 -7.251 1.00 1.37 H new ATOM 0 HZ3 LYS A 29 11.737 -4.808 -7.779 1.00 1.37 H new ATOM 475 N VAL A 30 6.715 -5.407 -1.642 1.00 0.22 N ATOM 476 CA VAL A 30 6.631 -5.548 -0.154 1.00 0.22 C ATOM 477 C VAL A 30 5.238 -6.075 0.225 1.00 0.21 C ATOM 478 O VAL A 30 5.107 -6.935 1.077 1.00 0.27 O ATOM 479 CB VAL A 30 6.872 -4.186 0.515 1.00 0.27 C ATOM 480 CG1 VAL A 30 6.821 -4.345 2.037 1.00 0.34 C ATOM 481 CG2 VAL A 30 8.250 -3.653 0.114 1.00 0.35 C ATOM 0 H VAL A 30 6.828 -4.451 -1.978 1.00 0.22 H new ATOM 0 HA VAL A 30 7.393 -6.248 0.189 1.00 0.22 H new ATOM 0 HB VAL A 30 6.100 -3.488 0.192 1.00 0.27 H new ATOM 0 HG11 VAL A 30 6.992 -3.378 2.510 1.00 0.34 H new ATOM 0 HG12 VAL A 30 5.842 -4.724 2.331 1.00 0.34 H new ATOM 0 HG13 VAL A 30 7.592 -5.046 2.356 1.00 0.34 H new ATOM 0 HG21 VAL A 30 8.419 -2.687 0.590 1.00 0.35 H new ATOM 0 HG22 VAL A 30 9.019 -4.355 0.435 1.00 0.35 H new ATOM 0 HG23 VAL A 30 8.294 -3.537 -0.969 1.00 0.35 H new ATOM 491 N LEU A 31 4.204 -5.570 -0.412 1.00 0.21 N ATOM 492 CA LEU A 31 2.816 -6.044 -0.108 1.00 0.24 C ATOM 493 C LEU A 31 2.664 -7.505 -0.551 1.00 0.25 C ATOM 494 O LEU A 31 2.047 -8.304 0.127 1.00 0.29 O ATOM 495 CB LEU A 31 1.803 -5.178 -0.864 1.00 0.28 C ATOM 496 CG LEU A 31 1.368 -4.006 0.017 1.00 0.33 C ATOM 497 CD1 LEU A 31 1.025 -2.805 -0.867 1.00 0.45 C ATOM 498 CD2 LEU A 31 0.136 -4.410 0.832 1.00 0.47 C ATOM 0 H LEU A 31 4.264 -4.849 -1.131 1.00 0.21 H new ATOM 0 HA LEU A 31 2.635 -5.967 0.964 1.00 0.24 H new ATOM 0 HB2 LEU A 31 2.246 -4.806 -1.788 1.00 0.28 H new ATOM 0 HB3 LEU A 31 0.936 -5.776 -1.144 1.00 0.28 H new ATOM 0 HG LEU A 31 2.179 -3.739 0.694 1.00 0.33 H new ATOM 0 HD11 LEU A 31 0.715 -1.969 -0.240 1.00 0.45 H new ATOM 0 HD12 LEU A 31 1.902 -2.518 -1.447 1.00 0.45 H new ATOM 0 HD13 LEU A 31 0.214 -3.072 -1.544 1.00 0.45 H new ATOM 0 HD21 LEU A 31 -0.175 -3.575 1.460 1.00 0.47 H new ATOM 0 HD22 LEU A 31 -0.676 -4.677 0.156 1.00 0.47 H new ATOM 0 HD23 LEU A 31 0.381 -5.266 1.461 1.00 0.47 H new ATOM 510 N SER A 32 3.229 -7.849 -1.688 1.00 0.25 N ATOM 511 CA SER A 32 3.137 -9.251 -2.205 1.00 0.28 C ATOM 512 C SER A 32 3.830 -10.219 -1.236 1.00 0.28 C ATOM 513 O SER A 32 3.426 -11.359 -1.101 1.00 0.37 O ATOM 514 CB SER A 32 3.817 -9.331 -3.573 1.00 0.33 C ATOM 515 OG SER A 32 3.022 -8.650 -4.535 1.00 0.37 O ATOM 0 H SER A 32 3.755 -7.209 -2.284 1.00 0.25 H new ATOM 0 HA SER A 32 2.087 -9.529 -2.295 1.00 0.28 H new ATOM 0 HB2 SER A 32 4.810 -8.885 -3.524 1.00 0.33 H new ATOM 0 HB3 SER A 32 3.949 -10.373 -3.866 1.00 0.33 H new ATOM 0 HG SER A 32 3.236 -7.694 -4.518 1.00 0.37 H new ATOM 521 N LEU A 33 4.867 -9.777 -0.564 1.00 0.28 N ATOM 522 CA LEU A 33 5.583 -10.671 0.399 1.00 0.31 C ATOM 523 C LEU A 33 4.746 -10.845 1.678 1.00 0.32 C ATOM 524 O LEU A 33 4.897 -11.819 2.393 1.00 0.39 O ATOM 525 CB LEU A 33 6.938 -10.051 0.758 1.00 0.37 C ATOM 526 CG LEU A 33 7.950 -10.349 -0.351 1.00 0.52 C ATOM 527 CD1 LEU A 33 9.044 -9.277 -0.348 1.00 0.61 C ATOM 528 CD2 LEU A 33 8.582 -11.723 -0.110 1.00 0.79 C ATOM 0 H LEU A 33 5.248 -8.834 -0.642 1.00 0.28 H new ATOM 0 HA LEU A 33 5.735 -11.646 -0.064 1.00 0.31 H new ATOM 0 HB2 LEU A 33 6.833 -8.974 0.888 1.00 0.37 H new ATOM 0 HB3 LEU A 33 7.294 -10.454 1.706 1.00 0.37 H new ATOM 0 HG LEU A 33 7.442 -10.346 -1.315 1.00 0.52 H new ATOM 0 HD11 LEU A 33 9.764 -9.490 -1.138 1.00 0.61 H new ATOM 0 HD12 LEU A 33 8.595 -8.299 -0.520 1.00 0.61 H new ATOM 0 HD13 LEU A 33 9.552 -9.278 0.616 1.00 0.61 H new ATOM 0 HD21 LEU A 33 9.303 -11.936 -0.900 1.00 0.79 H new ATOM 0 HD22 LEU A 33 9.089 -11.726 0.855 1.00 0.79 H new ATOM 0 HD23 LEU A 33 7.804 -12.487 -0.113 1.00 0.79 H new ATOM 540 N GLN A 34 3.876 -9.903 1.973 1.00 0.31 N ATOM 541 CA GLN A 34 3.035 -9.999 3.207 1.00 0.36 C ATOM 542 C GLN A 34 1.808 -10.891 2.965 1.00 0.38 C ATOM 543 O GLN A 34 1.490 -11.739 3.780 1.00 0.51 O ATOM 544 CB GLN A 34 2.567 -8.598 3.612 1.00 0.40 C ATOM 545 CG GLN A 34 3.727 -7.834 4.252 1.00 0.47 C ATOM 546 CD GLN A 34 3.196 -6.564 4.918 1.00 0.47 C ATOM 547 OE1 GLN A 34 3.244 -6.433 6.126 1.00 0.73 O ATOM 548 NE2 GLN A 34 2.689 -5.614 4.180 1.00 0.61 N ATOM 0 H GLN A 34 3.714 -9.070 1.408 1.00 0.31 H new ATOM 0 HA GLN A 34 3.636 -10.440 4.002 1.00 0.36 H new ATOM 0 HB2 GLN A 34 2.202 -8.059 2.738 1.00 0.40 H new ATOM 0 HB3 GLN A 34 1.735 -8.670 4.313 1.00 0.40 H new ATOM 0 HG2 GLN A 34 4.227 -8.462 4.989 1.00 0.47 H new ATOM 0 HG3 GLN A 34 4.469 -7.578 3.496 1.00 0.47 H new ATOM 0 HE21 GLN A 34 2.648 -5.722 3.167 1.00 0.61 H new ATOM 0 HE22 GLN A 34 2.334 -4.763 4.617 1.00 0.61 H new ATOM 557 N ILE A 35 1.106 -10.697 1.869 1.00 0.33 N ATOM 558 CA ILE A 35 -0.117 -11.527 1.601 1.00 0.37 C ATOM 559 C ILE A 35 0.194 -12.656 0.607 1.00 0.36 C ATOM 560 O ILE A 35 -0.306 -13.758 0.748 1.00 0.47 O ATOM 561 CB ILE A 35 -1.245 -10.636 1.053 1.00 0.41 C ATOM 562 CG1 ILE A 35 -0.790 -9.916 -0.225 1.00 0.38 C ATOM 563 CG2 ILE A 35 -1.626 -9.597 2.110 1.00 0.47 C ATOM 564 CD1 ILE A 35 -1.933 -9.048 -0.763 1.00 0.48 C ATOM 0 H ILE A 35 1.325 -10.004 1.153 1.00 0.33 H new ATOM 0 HA ILE A 35 -0.439 -11.978 2.539 1.00 0.37 H new ATOM 0 HB ILE A 35 -2.105 -11.262 0.816 1.00 0.41 H new ATOM 0 HG12 ILE A 35 0.082 -9.297 -0.014 1.00 0.38 H new ATOM 0 HG13 ILE A 35 -0.489 -10.645 -0.977 1.00 0.38 H new ATOM 0 HG21 ILE A 35 -2.425 -8.963 1.726 1.00 0.47 H new ATOM 0 HG22 ILE A 35 -1.967 -10.104 3.012 1.00 0.47 H new ATOM 0 HG23 ILE A 35 -0.757 -8.982 2.346 1.00 0.47 H new ATOM 0 HD11 ILE A 35 -1.607 -8.538 -1.670 1.00 0.48 H new ATOM 0 HD12 ILE A 35 -2.793 -9.678 -0.990 1.00 0.48 H new ATOM 0 HD13 ILE A 35 -2.213 -8.309 -0.012 1.00 0.48 H new ATOM 576 N GLY A 36 1.007 -12.398 -0.390 1.00 0.30 N ATOM 577 CA GLY A 36 1.344 -13.461 -1.390 1.00 0.32 C ATOM 578 C GLY A 36 0.482 -13.278 -2.643 1.00 0.32 C ATOM 579 O GLY A 36 -0.207 -14.188 -3.069 1.00 0.37 O ATOM 0 H GLY A 36 1.452 -11.495 -0.554 1.00 0.30 H new ATOM 0 HA2 GLY A 36 2.401 -13.407 -1.652 1.00 0.32 H new ATOM 0 HA3 GLY A 36 1.173 -14.447 -0.959 1.00 0.32 H new ATOM 583 N THR A 37 0.517 -12.106 -3.230 1.00 0.35 N ATOM 584 CA THR A 37 -0.296 -11.834 -4.462 1.00 0.37 C ATOM 585 C THR A 37 0.625 -11.631 -5.673 1.00 0.35 C ATOM 586 O THR A 37 0.207 -11.808 -6.803 1.00 0.40 O ATOM 587 CB THR A 37 -1.137 -10.562 -4.266 1.00 0.37 C ATOM 588 OG1 THR A 37 -0.468 -9.669 -3.381 1.00 0.42 O ATOM 589 CG2 THR A 37 -2.507 -10.924 -3.690 1.00 0.42 C ATOM 0 H THR A 37 1.078 -11.318 -2.907 1.00 0.35 H new ATOM 0 HA THR A 37 -0.949 -12.689 -4.637 1.00 0.37 H new ATOM 0 HB THR A 37 -1.272 -10.077 -5.233 1.00 0.37 H new ATOM 0 HG1 THR A 37 0.114 -9.072 -3.897 1.00 0.42 H new ATOM 0 HG21 THR A 37 -3.096 -10.017 -3.554 1.00 0.42 H new ATOM 0 HG22 THR A 37 -3.025 -11.594 -4.377 1.00 0.42 H new ATOM 0 HG23 THR A 37 -2.378 -11.420 -2.728 1.00 0.42 H new ATOM 597 N GLN A 38 1.867 -11.240 -5.444 1.00 0.34 N ATOM 598 CA GLN A 38 2.831 -10.995 -6.570 1.00 0.37 C ATOM 599 C GLN A 38 2.427 -9.713 -7.312 1.00 0.33 C ATOM 600 O GLN A 38 1.266 -9.341 -7.313 1.00 0.31 O ATOM 601 CB GLN A 38 2.830 -12.177 -7.555 1.00 0.44 C ATOM 602 CG GLN A 38 3.018 -13.494 -6.795 1.00 0.52 C ATOM 603 CD GLN A 38 4.510 -13.811 -6.669 1.00 1.07 C ATOM 604 OE1 GLN A 38 5.096 -14.399 -7.557 1.00 1.55 O ATOM 605 NE2 GLN A 38 5.153 -13.443 -5.592 1.00 1.60 N ATOM 0 H GLN A 38 2.253 -11.080 -4.514 1.00 0.34 H new ATOM 0 HA GLN A 38 3.834 -10.888 -6.156 1.00 0.37 H new ATOM 0 HB2 GLN A 38 1.892 -12.198 -8.109 1.00 0.44 H new ATOM 0 HB3 GLN A 38 3.629 -12.052 -8.286 1.00 0.44 H new ATOM 0 HG2 GLN A 38 2.567 -13.421 -5.805 1.00 0.52 H new ATOM 0 HG3 GLN A 38 2.508 -14.303 -7.318 1.00 0.52 H new ATOM 0 HE21 GLN A 38 4.660 -12.950 -4.847 1.00 1.60 H new ATOM 0 HE22 GLN A 38 6.147 -13.649 -5.496 1.00 1.60 H new ATOM 614 N PRO A 39 3.394 -9.071 -7.931 1.00 0.37 N ATOM 615 CA PRO A 39 3.153 -7.830 -8.690 1.00 0.39 C ATOM 616 C PRO A 39 2.446 -8.163 -10.013 1.00 0.40 C ATOM 617 O PRO A 39 3.046 -8.180 -11.075 1.00 0.50 O ATOM 618 CB PRO A 39 4.561 -7.257 -8.902 1.00 0.47 C ATOM 619 CG PRO A 39 5.541 -8.444 -8.755 1.00 0.50 C ATOM 620 CD PRO A 39 4.804 -9.522 -7.937 1.00 0.46 C ATOM 0 HA PRO A 39 2.505 -7.115 -8.184 1.00 0.39 H new ATOM 0 HB2 PRO A 39 4.650 -6.799 -9.887 1.00 0.47 H new ATOM 0 HB3 PRO A 39 4.779 -6.480 -8.169 1.00 0.47 H new ATOM 0 HG2 PRO A 39 5.832 -8.830 -9.732 1.00 0.50 H new ATOM 0 HG3 PRO A 39 6.455 -8.132 -8.250 1.00 0.50 H new ATOM 0 HD2 PRO A 39 4.905 -10.507 -8.393 1.00 0.46 H new ATOM 0 HD3 PRO A 39 5.203 -9.597 -6.925 1.00 0.46 H new ATOM 628 N ASN A 40 1.163 -8.438 -9.936 1.00 0.35 N ATOM 629 CA ASN A 40 0.367 -8.787 -11.154 1.00 0.39 C ATOM 630 C ASN A 40 -1.120 -8.906 -10.778 1.00 0.38 C ATOM 631 O ASN A 40 -1.984 -8.445 -11.503 1.00 0.47 O ATOM 632 CB ASN A 40 0.858 -10.120 -11.733 1.00 0.43 C ATOM 633 CG ASN A 40 0.823 -10.059 -13.262 1.00 0.69 C ATOM 634 OD1 ASN A 40 1.777 -9.635 -13.887 1.00 1.01 O ATOM 635 ND2 ASN A 40 -0.244 -10.466 -13.898 1.00 1.00 N ATOM 0 H ASN A 40 0.629 -8.435 -9.067 1.00 0.35 H new ATOM 0 HA ASN A 40 0.493 -8.004 -11.902 1.00 0.39 H new ATOM 0 HB2 ASN A 40 1.872 -10.326 -11.390 1.00 0.43 H new ATOM 0 HB3 ASN A 40 0.230 -10.936 -11.377 1.00 0.43 H new ATOM 0 HD21 ASN A 40 -0.276 -10.428 -14.917 1.00 1.00 H new ATOM 0 HD22 ASN A 40 -1.045 -10.822 -13.375 1.00 1.00 H new ATOM 642 N LYS A 41 -1.421 -9.517 -9.650 1.00 0.32 N ATOM 643 CA LYS A 41 -2.849 -9.659 -9.223 1.00 0.36 C ATOM 644 C LYS A 41 -3.243 -8.511 -8.275 1.00 0.34 C ATOM 645 O LYS A 41 -4.397 -8.384 -7.906 1.00 0.43 O ATOM 646 CB LYS A 41 -3.040 -11.001 -8.508 1.00 0.42 C ATOM 647 CG LYS A 41 -3.771 -11.975 -9.435 1.00 0.70 C ATOM 648 CD LYS A 41 -5.192 -12.210 -8.911 1.00 1.16 C ATOM 649 CE LYS A 41 -5.802 -13.433 -9.604 1.00 1.96 C ATOM 650 NZ LYS A 41 -6.378 -14.351 -8.578 1.00 2.95 N ATOM 0 H LYS A 41 -0.737 -9.922 -9.010 1.00 0.32 H new ATOM 0 HA LYS A 41 -3.485 -9.620 -10.107 1.00 0.36 H new ATOM 0 HB2 LYS A 41 -2.073 -11.413 -8.221 1.00 0.42 H new ATOM 0 HB3 LYS A 41 -3.611 -10.858 -7.590 1.00 0.42 H new ATOM 0 HG2 LYS A 41 -3.807 -11.573 -10.447 1.00 0.70 H new ATOM 0 HG3 LYS A 41 -3.230 -12.920 -9.487 1.00 0.70 H new ATOM 0 HD2 LYS A 41 -5.171 -12.364 -7.832 1.00 1.16 H new ATOM 0 HD3 LYS A 41 -5.808 -11.330 -9.096 1.00 1.16 H new ATOM 0 HE2 LYS A 41 -6.577 -13.119 -10.303 1.00 1.96 H new ATOM 0 HE3 LYS A 41 -5.040 -13.952 -10.185 1.00 1.96 H new ATOM 0 HZ1 LYS A 41 -6.792 -15.181 -9.048 1.00 2.95 H new ATOM 0 HZ2 LYS A 41 -5.627 -14.660 -7.928 1.00 2.95 H new ATOM 0 HZ3 LYS A 41 -7.117 -13.853 -8.042 1.00 2.95 H new ATOM 664 N ILE A 42 -2.305 -7.672 -7.883 1.00 0.32 N ATOM 665 CA ILE A 42 -2.647 -6.538 -6.966 1.00 0.32 C ATOM 666 C ILE A 42 -2.661 -5.217 -7.741 1.00 0.32 C ATOM 667 O ILE A 42 -1.660 -4.798 -8.295 1.00 0.46 O ATOM 668 CB ILE A 42 -1.636 -6.439 -5.807 1.00 0.33 C ATOM 669 CG1 ILE A 42 -0.227 -6.836 -6.278 1.00 0.35 C ATOM 670 CG2 ILE A 42 -2.077 -7.365 -4.674 1.00 0.37 C ATOM 671 CD1 ILE A 42 0.812 -6.409 -5.235 1.00 0.38 C ATOM 0 H ILE A 42 -1.324 -7.726 -8.159 1.00 0.32 H new ATOM 0 HA ILE A 42 -3.637 -6.730 -6.552 1.00 0.32 H new ATOM 0 HB ILE A 42 -1.605 -5.408 -5.455 1.00 0.33 H new ATOM 0 HG12 ILE A 42 -0.177 -7.914 -6.434 1.00 0.35 H new ATOM 0 HG13 ILE A 42 -0.008 -6.365 -7.236 1.00 0.35 H new ATOM 0 HG21 ILE A 42 -1.365 -7.298 -3.852 1.00 0.37 H new ATOM 0 HG22 ILE A 42 -3.065 -7.066 -4.324 1.00 0.37 H new ATOM 0 HG23 ILE A 42 -2.116 -8.392 -5.038 1.00 0.37 H new ATOM 0 HD11 ILE A 42 1.808 -6.694 -5.576 1.00 0.38 H new ATOM 0 HD12 ILE A 42 0.770 -5.328 -5.101 1.00 0.38 H new ATOM 0 HD13 ILE A 42 0.599 -6.901 -4.286 1.00 0.38 H new ATOM 683 N VAL A 43 -3.793 -4.552 -7.759 1.00 0.27 N ATOM 684 CA VAL A 43 -3.901 -3.239 -8.464 1.00 0.28 C ATOM 685 C VAL A 43 -4.033 -2.143 -7.403 1.00 0.25 C ATOM 686 O VAL A 43 -4.999 -2.105 -6.663 1.00 0.26 O ATOM 687 CB VAL A 43 -5.141 -3.221 -9.370 1.00 0.32 C ATOM 688 CG1 VAL A 43 -5.220 -1.878 -10.101 1.00 0.42 C ATOM 689 CG2 VAL A 43 -5.054 -4.353 -10.399 1.00 0.43 C ATOM 0 H VAL A 43 -4.653 -4.868 -7.311 1.00 0.27 H new ATOM 0 HA VAL A 43 -3.018 -3.076 -9.082 1.00 0.28 H new ATOM 0 HB VAL A 43 -6.032 -3.360 -8.757 1.00 0.32 H new ATOM 0 HG11 VAL A 43 -6.100 -1.865 -10.744 1.00 0.42 H new ATOM 0 HG12 VAL A 43 -5.291 -1.071 -9.372 1.00 0.42 H new ATOM 0 HG13 VAL A 43 -4.325 -1.741 -10.708 1.00 0.42 H new ATOM 0 HG21 VAL A 43 -5.937 -4.333 -11.037 1.00 0.43 H new ATOM 0 HG22 VAL A 43 -4.161 -4.221 -11.010 1.00 0.43 H new ATOM 0 HG23 VAL A 43 -5.001 -5.311 -9.882 1.00 0.43 H new ATOM 699 N LEU A 44 -3.072 -1.258 -7.317 1.00 0.28 N ATOM 700 CA LEU A 44 -3.147 -0.172 -6.292 1.00 0.28 C ATOM 701 C LEU A 44 -3.690 1.106 -6.937 1.00 0.30 C ATOM 702 O LEU A 44 -3.273 1.494 -8.014 1.00 0.37 O ATOM 703 CB LEU A 44 -1.751 0.088 -5.719 1.00 0.35 C ATOM 704 CG LEU A 44 -1.442 -0.945 -4.631 1.00 0.42 C ATOM 705 CD1 LEU A 44 0.067 -1.184 -4.569 1.00 0.49 C ATOM 706 CD2 LEU A 44 -1.932 -0.428 -3.275 1.00 0.56 C ATOM 0 H LEU A 44 -2.242 -1.240 -7.909 1.00 0.28 H new ATOM 0 HA LEU A 44 -3.815 -0.478 -5.486 1.00 0.28 H new ATOM 0 HB2 LEU A 44 -1.005 0.031 -6.512 1.00 0.35 H new ATOM 0 HB3 LEU A 44 -1.699 1.095 -5.304 1.00 0.35 H new ATOM 0 HG LEU A 44 -1.950 -1.880 -4.867 1.00 0.42 H new ATOM 0 HD11 LEU A 44 0.287 -1.919 -3.795 1.00 0.49 H new ATOM 0 HD12 LEU A 44 0.416 -1.556 -5.532 1.00 0.49 H new ATOM 0 HD13 LEU A 44 0.574 -0.248 -4.336 1.00 0.49 H new ATOM 0 HD21 LEU A 44 -1.711 -1.165 -2.503 1.00 0.56 H new ATOM 0 HD22 LEU A 44 -1.427 0.508 -3.038 1.00 0.56 H new ATOM 0 HD23 LEU A 44 -3.008 -0.259 -3.317 1.00 0.56 H new ATOM 718 N GLN A 45 -4.627 1.759 -6.284 1.00 0.31 N ATOM 719 CA GLN A 45 -5.214 3.014 -6.848 1.00 0.34 C ATOM 720 C GLN A 45 -5.244 4.101 -5.765 1.00 0.36 C ATOM 721 O GLN A 45 -5.693 3.870 -4.655 1.00 0.45 O ATOM 722 CB GLN A 45 -6.642 2.743 -7.343 1.00 0.37 C ATOM 723 CG GLN A 45 -6.633 1.581 -8.343 1.00 0.37 C ATOM 724 CD GLN A 45 -7.774 1.756 -9.349 1.00 0.44 C ATOM 725 OE1 GLN A 45 -7.814 2.730 -10.078 1.00 0.67 O ATOM 726 NE2 GLN A 45 -8.710 0.848 -9.423 1.00 0.77 N ATOM 0 H GLN A 45 -5.009 1.473 -5.383 1.00 0.31 H new ATOM 0 HA GLN A 45 -4.601 3.352 -7.684 1.00 0.34 H new ATOM 0 HB2 GLN A 45 -7.290 2.504 -6.500 1.00 0.37 H new ATOM 0 HB3 GLN A 45 -7.049 3.637 -7.814 1.00 0.37 H new ATOM 0 HG2 GLN A 45 -5.677 1.546 -8.865 1.00 0.37 H new ATOM 0 HG3 GLN A 45 -6.743 0.634 -7.815 1.00 0.37 H new ATOM 0 HE21 GLN A 45 -8.678 0.031 -8.813 1.00 0.77 H new ATOM 0 HE22 GLN A 45 -9.473 0.956 -10.091 1.00 0.77 H new ATOM 735 N LYS A 46 -4.768 5.283 -6.085 1.00 0.41 N ATOM 736 CA LYS A 46 -4.758 6.398 -5.085 1.00 0.46 C ATOM 737 C LYS A 46 -6.137 7.074 -5.053 1.00 0.50 C ATOM 738 O LYS A 46 -6.849 6.993 -4.067 1.00 0.66 O ATOM 739 CB LYS A 46 -3.686 7.425 -5.477 1.00 0.49 C ATOM 740 CG LYS A 46 -2.462 7.274 -4.566 1.00 0.72 C ATOM 741 CD LYS A 46 -2.243 8.573 -3.784 1.00 0.72 C ATOM 742 CE LYS A 46 -1.745 8.246 -2.371 1.00 0.84 C ATOM 743 NZ LYS A 46 -2.818 8.532 -1.374 1.00 1.24 N ATOM 0 H LYS A 46 -4.385 5.523 -6.999 1.00 0.41 H new ATOM 0 HA LYS A 46 -4.532 5.999 -4.096 1.00 0.46 H new ATOM 0 HB2 LYS A 46 -3.396 7.282 -6.518 1.00 0.49 H new ATOM 0 HB3 LYS A 46 -4.089 8.434 -5.395 1.00 0.49 H new ATOM 0 HG2 LYS A 46 -2.609 6.443 -3.877 1.00 0.72 H new ATOM 0 HG3 LYS A 46 -1.579 7.042 -5.161 1.00 0.72 H new ATOM 0 HD2 LYS A 46 -1.517 9.202 -4.300 1.00 0.72 H new ATOM 0 HD3 LYS A 46 -3.173 9.138 -3.731 1.00 0.72 H new ATOM 0 HE2 LYS A 46 -1.453 7.197 -2.313 1.00 0.84 H new ATOM 0 HE3 LYS A 46 -0.858 8.837 -2.143 1.00 0.84 H new ATOM 0 HZ1 LYS A 46 -2.424 8.472 -0.413 1.00 1.24 H new ATOM 0 HZ2 LYS A 46 -3.195 9.488 -1.534 1.00 1.24 H new ATOM 0 HZ3 LYS A 46 -3.584 7.836 -1.479 1.00 1.24 H new ATOM 757 N GLY A 47 -6.517 7.739 -6.123 1.00 0.54 N ATOM 758 CA GLY A 47 -7.848 8.423 -6.163 1.00 0.65 C ATOM 759 C GLY A 47 -8.433 8.320 -7.574 1.00 0.61 C ATOM 760 O GLY A 47 -8.489 9.294 -8.304 1.00 0.74 O ATOM 0 H GLY A 47 -5.959 7.836 -6.971 1.00 0.54 H new ATOM 0 HA2 GLY A 47 -8.526 7.965 -5.443 1.00 0.65 H new ATOM 0 HA3 GLY A 47 -7.740 9.470 -5.878 1.00 0.65 H new ATOM 764 N GLY A 48 -8.861 7.141 -7.962 1.00 0.57 N ATOM 765 CA GLY A 48 -9.439 6.950 -9.329 1.00 0.63 C ATOM 766 C GLY A 48 -8.306 6.825 -10.355 1.00 0.63 C ATOM 767 O GLY A 48 -8.473 7.162 -11.514 1.00 0.85 O ATOM 0 H GLY A 48 -8.834 6.299 -7.386 1.00 0.57 H new ATOM 0 HA2 GLY A 48 -10.062 6.056 -9.350 1.00 0.63 H new ATOM 0 HA3 GLY A 48 -10.082 7.792 -9.584 1.00 0.63 H new ATOM 771 N SER A 49 -7.157 6.342 -9.938 1.00 0.51 N ATOM 772 CA SER A 49 -6.005 6.188 -10.878 1.00 0.51 C ATOM 773 C SER A 49 -5.108 5.046 -10.393 1.00 0.42 C ATOM 774 O SER A 49 -4.784 4.957 -9.221 1.00 0.42 O ATOM 775 CB SER A 49 -5.200 7.492 -10.923 1.00 0.60 C ATOM 776 OG SER A 49 -5.301 8.064 -12.221 1.00 1.05 O ATOM 0 H SER A 49 -6.970 6.047 -8.980 1.00 0.51 H new ATOM 0 HA SER A 49 -6.376 5.961 -11.878 1.00 0.51 H new ATOM 0 HB2 SER A 49 -5.576 8.190 -10.175 1.00 0.60 H new ATOM 0 HB3 SER A 49 -4.156 7.296 -10.680 1.00 0.60 H new ATOM 0 HG SER A 49 -4.788 8.899 -12.251 1.00 1.05 H new ATOM 782 N VAL A 50 -4.706 4.174 -11.286 1.00 0.40 N ATOM 783 CA VAL A 50 -3.830 3.029 -10.883 1.00 0.36 C ATOM 784 C VAL A 50 -2.377 3.504 -10.747 1.00 0.31 C ATOM 785 O VAL A 50 -1.959 4.452 -11.391 1.00 0.39 O ATOM 786 CB VAL A 50 -3.908 1.910 -11.934 1.00 0.43 C ATOM 787 CG1 VAL A 50 -5.329 1.342 -11.974 1.00 0.51 C ATOM 788 CG2 VAL A 50 -3.542 2.462 -13.317 1.00 0.50 C ATOM 0 H VAL A 50 -4.947 4.206 -12.277 1.00 0.40 H new ATOM 0 HA VAL A 50 -4.175 2.644 -9.923 1.00 0.36 H new ATOM 0 HB VAL A 50 -3.205 1.121 -11.665 1.00 0.43 H new ATOM 0 HG11 VAL A 50 -5.383 0.549 -12.720 1.00 0.51 H new ATOM 0 HG12 VAL A 50 -5.587 0.938 -10.995 1.00 0.51 H new ATOM 0 HG13 VAL A 50 -6.030 2.134 -12.236 1.00 0.51 H new ATOM 0 HG21 VAL A 50 -3.600 1.662 -14.055 1.00 0.50 H new ATOM 0 HG22 VAL A 50 -4.238 3.256 -13.587 1.00 0.50 H new ATOM 0 HG23 VAL A 50 -2.528 2.861 -13.293 1.00 0.50 H new ATOM 798 N LEU A 51 -1.611 2.851 -9.907 1.00 0.29 N ATOM 799 CA LEU A 51 -0.184 3.247 -9.711 1.00 0.27 C ATOM 800 C LEU A 51 0.720 2.296 -10.507 1.00 0.28 C ATOM 801 O LEU A 51 0.556 1.089 -10.464 1.00 0.38 O ATOM 802 CB LEU A 51 0.180 3.175 -8.219 1.00 0.34 C ATOM 803 CG LEU A 51 -0.958 3.746 -7.361 1.00 0.35 C ATOM 804 CD1 LEU A 51 -0.577 3.654 -5.882 1.00 0.45 C ATOM 805 CD2 LEU A 51 -1.208 5.213 -7.730 1.00 0.37 C ATOM 0 H LEU A 51 -1.917 2.056 -9.346 1.00 0.29 H new ATOM 0 HA LEU A 51 -0.042 4.269 -10.063 1.00 0.27 H new ATOM 0 HB2 LEU A 51 0.374 2.141 -7.935 1.00 0.34 H new ATOM 0 HB3 LEU A 51 1.098 3.733 -8.035 1.00 0.34 H new ATOM 0 HG LEU A 51 -1.865 3.170 -7.544 1.00 0.35 H new ATOM 0 HD11 LEU A 51 -1.385 4.059 -5.272 1.00 0.45 H new ATOM 0 HD12 LEU A 51 -0.408 2.611 -5.614 1.00 0.45 H new ATOM 0 HD13 LEU A 51 0.334 4.226 -5.705 1.00 0.45 H new ATOM 0 HD21 LEU A 51 -2.017 5.610 -7.116 1.00 0.37 H new ATOM 0 HD22 LEU A 51 -0.301 5.792 -7.554 1.00 0.37 H new ATOM 0 HD23 LEU A 51 -1.484 5.282 -8.782 1.00 0.37 H new ATOM 817 N LYS A 52 1.671 2.837 -11.236 1.00 0.31 N ATOM 818 CA LYS A 52 2.592 1.978 -12.047 1.00 0.34 C ATOM 819 C LYS A 52 4.017 2.057 -11.489 1.00 0.29 C ATOM 820 O LYS A 52 4.407 3.048 -10.893 1.00 0.29 O ATOM 821 CB LYS A 52 2.595 2.465 -13.499 1.00 0.43 C ATOM 822 CG LYS A 52 1.436 1.821 -14.264 1.00 0.59 C ATOM 823 CD LYS A 52 0.728 2.884 -15.109 1.00 0.68 C ATOM 824 CE LYS A 52 -0.401 3.515 -14.288 1.00 0.85 C ATOM 825 NZ LYS A 52 -0.523 4.964 -14.622 1.00 0.89 N ATOM 0 H LYS A 52 1.848 3.839 -11.303 1.00 0.31 H new ATOM 0 HA LYS A 52 2.245 0.946 -12.000 1.00 0.34 H new ATOM 0 HB2 LYS A 52 2.503 3.551 -13.528 1.00 0.43 H new ATOM 0 HB3 LYS A 52 3.542 2.212 -13.975 1.00 0.43 H new ATOM 0 HG2 LYS A 52 1.809 1.021 -14.904 1.00 0.59 H new ATOM 0 HG3 LYS A 52 0.732 1.368 -13.565 1.00 0.59 H new ATOM 0 HD2 LYS A 52 1.438 3.650 -15.420 1.00 0.68 H new ATOM 0 HD3 LYS A 52 0.326 2.435 -16.017 1.00 0.68 H new ATOM 0 HE2 LYS A 52 -1.342 3.005 -14.495 1.00 0.85 H new ATOM 0 HE3 LYS A 52 -0.200 3.394 -13.224 1.00 0.85 H new ATOM 0 HZ1 LYS A 52 -1.291 5.386 -14.062 1.00 0.89 H new ATOM 0 HZ2 LYS A 52 0.372 5.447 -14.403 1.00 0.89 H new ATOM 0 HZ3 LYS A 52 -0.735 5.070 -15.635 1.00 0.89 H new ATOM 839 N ASP A 53 4.800 1.019 -11.691 1.00 0.32 N ATOM 840 CA ASP A 53 6.213 1.011 -11.192 1.00 0.32 C ATOM 841 C ASP A 53 7.001 2.164 -11.830 1.00 0.34 C ATOM 842 O ASP A 53 7.935 2.681 -11.243 1.00 0.41 O ATOM 843 CB ASP A 53 6.872 -0.332 -11.548 1.00 0.38 C ATOM 844 CG ASP A 53 8.391 -0.253 -11.333 1.00 0.38 C ATOM 845 OD1 ASP A 53 8.811 -0.210 -10.187 1.00 0.41 O ATOM 846 OD2 ASP A 53 9.108 -0.236 -12.320 1.00 0.56 O ATOM 0 H ASP A 53 4.516 0.172 -12.184 1.00 0.32 H new ATOM 0 HA ASP A 53 6.214 1.140 -10.110 1.00 0.32 H new ATOM 0 HB2 ASP A 53 6.451 -1.126 -10.931 1.00 0.38 H new ATOM 0 HB3 ASP A 53 6.657 -0.587 -12.586 1.00 0.38 H new ATOM 851 N HIS A 54 6.624 2.574 -13.024 1.00 0.35 N ATOM 852 CA HIS A 54 7.338 3.698 -13.708 1.00 0.43 C ATOM 853 C HIS A 54 7.205 4.999 -12.894 1.00 0.40 C ATOM 854 O HIS A 54 7.908 5.960 -13.146 1.00 0.50 O ATOM 855 CB HIS A 54 6.731 3.910 -15.099 1.00 0.50 C ATOM 856 CG HIS A 54 7.514 3.129 -16.120 1.00 0.91 C ATOM 857 ND1 HIS A 54 7.213 1.812 -16.434 1.00 1.46 N ATOM 858 CD2 HIS A 54 8.587 3.466 -16.907 1.00 1.46 C ATOM 859 CE1 HIS A 54 8.087 1.410 -17.376 1.00 1.89 C ATOM 860 NE2 HIS A 54 8.947 2.380 -17.699 1.00 1.89 N ATOM 0 H HIS A 54 5.849 2.174 -13.553 1.00 0.35 H new ATOM 0 HA HIS A 54 8.394 3.442 -13.793 1.00 0.43 H new ATOM 0 HB2 HIS A 54 5.689 3.590 -15.104 1.00 0.50 H new ATOM 0 HB3 HIS A 54 6.741 4.970 -15.353 1.00 0.50 H new ATOM 0 HD2 HIS A 54 9.077 4.428 -16.911 1.00 1.46 H new ATOM 0 HE1 HIS A 54 8.092 0.424 -17.817 1.00 1.89 H new ATOM 0 HE2 HIS A 54 9.705 2.334 -18.380 1.00 1.89 H new ATOM 868 N ILE A 55 6.313 5.039 -11.923 1.00 0.32 N ATOM 869 CA ILE A 55 6.141 6.277 -11.101 1.00 0.31 C ATOM 870 C ILE A 55 6.477 5.972 -9.635 1.00 0.30 C ATOM 871 O ILE A 55 6.198 4.895 -9.135 1.00 0.33 O ATOM 872 CB ILE A 55 4.689 6.766 -11.210 1.00 0.31 C ATOM 873 CG1 ILE A 55 4.365 7.087 -12.674 1.00 0.38 C ATOM 874 CG2 ILE A 55 4.503 8.029 -10.366 1.00 0.35 C ATOM 875 CD1 ILE A 55 3.657 5.895 -13.321 1.00 0.48 C ATOM 0 H ILE A 55 5.700 4.265 -11.669 1.00 0.32 H new ATOM 0 HA ILE A 55 6.812 7.054 -11.468 1.00 0.31 H new ATOM 0 HB ILE A 55 4.021 5.985 -10.848 1.00 0.31 H new ATOM 0 HG12 ILE A 55 3.732 7.972 -12.730 1.00 0.38 H new ATOM 0 HG13 ILE A 55 5.282 7.316 -13.217 1.00 0.38 H new ATOM 0 HG21 ILE A 55 3.471 8.372 -10.447 1.00 0.35 H new ATOM 0 HG22 ILE A 55 4.731 7.807 -9.324 1.00 0.35 H new ATOM 0 HG23 ILE A 55 5.174 8.809 -10.726 1.00 0.35 H new ATOM 0 HD11 ILE A 55 3.429 6.128 -14.361 1.00 0.48 H new ATOM 0 HD12 ILE A 55 4.306 5.020 -13.279 1.00 0.48 H new ATOM 0 HD13 ILE A 55 2.731 5.687 -12.784 1.00 0.48 H new ATOM 887 N SER A 56 7.076 6.917 -8.948 1.00 0.33 N ATOM 888 CA SER A 56 7.441 6.701 -7.513 1.00 0.36 C ATOM 889 C SER A 56 6.273 7.106 -6.604 1.00 0.33 C ATOM 890 O SER A 56 5.400 7.863 -6.994 1.00 0.32 O ATOM 891 CB SER A 56 8.672 7.542 -7.165 1.00 0.43 C ATOM 892 OG SER A 56 9.526 6.793 -6.310 1.00 0.62 O ATOM 0 H SER A 56 7.328 7.832 -9.322 1.00 0.33 H new ATOM 0 HA SER A 56 7.663 5.645 -7.359 1.00 0.36 H new ATOM 0 HB2 SER A 56 9.204 7.823 -8.074 1.00 0.43 H new ATOM 0 HB3 SER A 56 8.368 8.467 -6.675 1.00 0.43 H new ATOM 0 HG SER A 56 8.992 6.155 -5.792 1.00 0.62 H new ATOM 898 N LEU A 57 6.263 6.606 -5.387 1.00 0.35 N ATOM 899 CA LEU A 57 5.166 6.950 -4.424 1.00 0.36 C ATOM 900 C LEU A 57 5.156 8.464 -4.166 1.00 0.38 C ATOM 901 O LEU A 57 4.113 9.051 -3.940 1.00 0.43 O ATOM 902 CB LEU A 57 5.392 6.208 -3.102 1.00 0.41 C ATOM 903 CG LEU A 57 5.248 4.698 -3.322 1.00 0.40 C ATOM 904 CD1 LEU A 57 5.927 3.948 -2.173 1.00 0.49 C ATOM 905 CD2 LEU A 57 3.764 4.322 -3.365 1.00 0.51 C ATOM 0 H LEU A 57 6.972 5.971 -5.019 1.00 0.35 H new ATOM 0 HA LEU A 57 4.208 6.651 -4.850 1.00 0.36 H new ATOM 0 HB2 LEU A 57 6.384 6.435 -2.712 1.00 0.41 H new ATOM 0 HB3 LEU A 57 4.672 6.546 -2.357 1.00 0.41 H new ATOM 0 HG LEU A 57 5.719 4.426 -4.267 1.00 0.40 H new ATOM 0 HD11 LEU A 57 5.825 2.874 -2.329 1.00 0.49 H new ATOM 0 HD12 LEU A 57 6.984 4.211 -2.141 1.00 0.49 H new ATOM 0 HD13 LEU A 57 5.456 4.224 -1.230 1.00 0.49 H new ATOM 0 HD21 LEU A 57 3.665 3.248 -3.522 1.00 0.51 H new ATOM 0 HD22 LEU A 57 3.292 4.596 -2.422 1.00 0.51 H new ATOM 0 HD23 LEU A 57 3.277 4.854 -4.182 1.00 0.51 H new ATOM 917 N GLU A 58 6.310 9.098 -4.208 1.00 0.39 N ATOM 918 CA GLU A 58 6.381 10.576 -3.978 1.00 0.43 C ATOM 919 C GLU A 58 5.609 11.307 -5.084 1.00 0.43 C ATOM 920 O GLU A 58 4.968 12.313 -4.838 1.00 0.49 O ATOM 921 CB GLU A 58 7.846 11.029 -3.998 1.00 0.49 C ATOM 922 CG GLU A 58 8.203 11.684 -2.660 1.00 0.65 C ATOM 923 CD GLU A 58 9.713 11.581 -2.425 1.00 0.62 C ATOM 924 OE1 GLU A 58 10.138 10.598 -1.838 1.00 1.05 O ATOM 925 OE2 GLU A 58 10.421 12.487 -2.834 1.00 0.89 O ATOM 0 H GLU A 58 7.207 8.650 -4.393 1.00 0.39 H new ATOM 0 HA GLU A 58 5.939 10.811 -3.009 1.00 0.43 H new ATOM 0 HB2 GLU A 58 8.498 10.175 -4.181 1.00 0.49 H new ATOM 0 HB3 GLU A 58 8.007 11.734 -4.813 1.00 0.49 H new ATOM 0 HG2 GLU A 58 7.895 12.730 -2.662 1.00 0.65 H new ATOM 0 HG3 GLU A 58 7.664 11.195 -1.849 1.00 0.65 H new ATOM 932 N ASP A 59 5.661 10.799 -6.298 1.00 0.40 N ATOM 933 CA ASP A 59 4.927 11.451 -7.427 1.00 0.43 C ATOM 934 C ASP A 59 3.417 11.327 -7.190 1.00 0.42 C ATOM 935 O ASP A 59 2.675 12.273 -7.382 1.00 0.48 O ATOM 936 CB ASP A 59 5.295 10.761 -8.746 1.00 0.45 C ATOM 937 CG ASP A 59 6.780 10.988 -9.051 1.00 0.50 C ATOM 938 OD1 ASP A 59 7.098 12.014 -9.629 1.00 0.66 O ATOM 939 OD2 ASP A 59 7.574 10.128 -8.702 1.00 0.66 O ATOM 0 H ASP A 59 6.182 9.960 -6.552 1.00 0.40 H new ATOM 0 HA ASP A 59 5.204 12.504 -7.480 1.00 0.43 H new ATOM 0 HB2 ASP A 59 5.087 9.693 -8.679 1.00 0.45 H new ATOM 0 HB3 ASP A 59 4.683 11.155 -9.557 1.00 0.45 H new ATOM 944 N TYR A 60 2.967 10.169 -6.761 1.00 0.40 N ATOM 945 CA TYR A 60 1.508 9.970 -6.492 1.00 0.41 C ATOM 946 C TYR A 60 1.093 10.741 -5.226 1.00 0.44 C ATOM 947 O TYR A 60 -0.083 10.965 -4.996 1.00 0.49 O ATOM 948 CB TYR A 60 1.223 8.475 -6.302 1.00 0.40 C ATOM 949 CG TYR A 60 1.171 7.794 -7.652 1.00 0.32 C ATOM 950 CD1 TYR A 60 0.197 8.167 -8.588 1.00 0.36 C ATOM 951 CD2 TYR A 60 2.097 6.793 -7.968 1.00 0.37 C ATOM 952 CE1 TYR A 60 0.150 7.539 -9.838 1.00 0.41 C ATOM 953 CE2 TYR A 60 2.049 6.165 -9.219 1.00 0.42 C ATOM 954 CZ TYR A 60 1.077 6.538 -10.154 1.00 0.41 C ATOM 955 OH TYR A 60 1.030 5.918 -11.387 1.00 0.54 O ATOM 0 H TYR A 60 3.551 9.352 -6.586 1.00 0.40 H new ATOM 0 HA TYR A 60 0.934 10.347 -7.339 1.00 0.41 H new ATOM 0 HB2 TYR A 60 1.998 8.022 -5.684 1.00 0.40 H new ATOM 0 HB3 TYR A 60 0.277 8.338 -5.778 1.00 0.40 H new ATOM 0 HD1 TYR A 60 -0.518 8.939 -8.345 1.00 0.36 H new ATOM 0 HD2 TYR A 60 2.848 6.505 -7.247 1.00 0.37 H new ATOM 0 HE1 TYR A 60 -0.601 7.826 -10.559 1.00 0.41 H new ATOM 0 HE2 TYR A 60 2.763 5.392 -9.462 1.00 0.42 H new ATOM 0 HH TYR A 60 0.677 6.543 -12.054 1.00 0.54 H new ATOM 965 N GLU A 61 2.051 11.148 -4.410 1.00 0.44 N ATOM 966 CA GLU A 61 1.746 11.910 -3.156 1.00 0.49 C ATOM 967 C GLU A 61 1.237 10.948 -2.071 1.00 0.45 C ATOM 968 O GLU A 61 0.116 11.050 -1.602 1.00 0.56 O ATOM 969 CB GLU A 61 0.701 13.003 -3.438 1.00 0.58 C ATOM 970 CG GLU A 61 1.016 14.245 -2.595 1.00 0.80 C ATOM 971 CD GLU A 61 1.829 15.242 -3.430 1.00 1.67 C ATOM 972 OE1 GLU A 61 1.218 16.058 -4.100 1.00 2.33 O ATOM 973 OE2 GLU A 61 3.046 15.171 -3.384 1.00 2.20 O ATOM 0 H GLU A 61 3.044 10.978 -4.569 1.00 0.44 H new ATOM 0 HA GLU A 61 2.658 12.389 -2.801 1.00 0.49 H new ATOM 0 HB2 GLU A 61 0.705 13.259 -4.497 1.00 0.58 H new ATOM 0 HB3 GLU A 61 -0.298 12.635 -3.203 1.00 0.58 H new ATOM 0 HG2 GLU A 61 0.091 14.710 -2.255 1.00 0.80 H new ATOM 0 HG3 GLU A 61 1.576 13.960 -1.704 1.00 0.80 H new ATOM 980 N VAL A 62 2.070 10.018 -1.665 1.00 0.41 N ATOM 981 CA VAL A 62 1.667 9.044 -0.605 1.00 0.40 C ATOM 982 C VAL A 62 2.150 9.569 0.754 1.00 0.41 C ATOM 983 O VAL A 62 3.338 9.689 0.995 1.00 0.57 O ATOM 984 CB VAL A 62 2.300 7.677 -0.900 1.00 0.41 C ATOM 985 CG1 VAL A 62 1.891 6.671 0.181 1.00 0.47 C ATOM 986 CG2 VAL A 62 1.817 7.174 -2.265 1.00 0.45 C ATOM 0 H VAL A 62 3.016 9.893 -2.026 1.00 0.41 H new ATOM 0 HA VAL A 62 0.583 8.932 -0.588 1.00 0.40 H new ATOM 0 HB VAL A 62 3.385 7.780 -0.908 1.00 0.41 H new ATOM 0 HG11 VAL A 62 2.343 5.703 -0.033 1.00 0.47 H new ATOM 0 HG12 VAL A 62 2.233 7.024 1.154 1.00 0.47 H new ATOM 0 HG13 VAL A 62 0.806 6.570 0.192 1.00 0.47 H new ATOM 0 HG21 VAL A 62 2.266 6.203 -2.475 1.00 0.45 H new ATOM 0 HG22 VAL A 62 0.731 7.077 -2.254 1.00 0.45 H new ATOM 0 HG23 VAL A 62 2.109 7.884 -3.039 1.00 0.45 H new ATOM 996 N HIS A 63 1.232 9.894 1.635 1.00 0.37 N ATOM 997 CA HIS A 63 1.626 10.429 2.979 1.00 0.44 C ATOM 998 C HIS A 63 1.559 9.319 4.035 1.00 0.36 C ATOM 999 O HIS A 63 1.082 8.227 3.780 1.00 0.34 O ATOM 1000 CB HIS A 63 0.675 11.566 3.373 1.00 0.56 C ATOM 1001 CG HIS A 63 0.838 12.715 2.415 1.00 0.86 C ATOM 1002 ND1 HIS A 63 1.932 13.565 2.457 1.00 1.07 N ATOM 1003 CD2 HIS A 63 0.053 13.166 1.381 1.00 1.25 C ATOM 1004 CE1 HIS A 63 1.777 14.475 1.477 1.00 1.37 C ATOM 1005 NE2 HIS A 63 0.649 14.276 0.791 1.00 1.47 N ATOM 0 H HIS A 63 0.227 9.812 1.481 1.00 0.37 H new ATOM 0 HA HIS A 63 2.648 10.803 2.925 1.00 0.44 H new ATOM 0 HB2 HIS A 63 -0.356 11.212 3.360 1.00 0.56 H new ATOM 0 HB3 HIS A 63 0.887 11.895 4.390 1.00 0.56 H new ATOM 0 HD2 HIS A 63 -0.884 12.726 1.073 1.00 1.25 H new ATOM 0 HE1 HIS A 63 2.479 15.269 1.271 1.00 1.37 H new ATOM 0 HE2 HIS A 63 0.299 14.821 0.003 1.00 1.47 H new ATOM 1013 N ASP A 64 2.040 9.600 5.225 1.00 0.36 N ATOM 1014 CA ASP A 64 2.021 8.582 6.320 1.00 0.33 C ATOM 1015 C ASP A 64 0.578 8.346 6.786 1.00 0.30 C ATOM 1016 O ASP A 64 -0.200 9.274 6.923 1.00 0.36 O ATOM 1017 CB ASP A 64 2.865 9.084 7.497 1.00 0.38 C ATOM 1018 CG ASP A 64 3.051 7.959 8.523 1.00 0.41 C ATOM 1019 OD1 ASP A 64 4.009 7.214 8.389 1.00 0.56 O ATOM 1020 OD2 ASP A 64 2.234 7.864 9.424 1.00 0.63 O ATOM 0 H ASP A 64 2.447 10.499 5.484 1.00 0.36 H new ATOM 0 HA ASP A 64 2.435 7.645 5.948 1.00 0.33 H new ATOM 0 HB2 ASP A 64 3.836 9.426 7.140 1.00 0.38 H new ATOM 0 HB3 ASP A 64 2.378 9.939 7.966 1.00 0.38 H new ATOM 1025 N GLN A 65 0.226 7.103 7.030 1.00 0.29 N ATOM 1026 CA GLN A 65 -1.158 6.762 7.490 1.00 0.32 C ATOM 1027 C GLN A 65 -2.186 7.129 6.403 1.00 0.30 C ATOM 1028 O GLN A 65 -3.308 7.502 6.700 1.00 0.44 O ATOM 1029 CB GLN A 65 -1.468 7.523 8.790 1.00 0.40 C ATOM 1030 CG GLN A 65 -1.689 6.524 9.929 1.00 0.52 C ATOM 1031 CD GLN A 65 -0.349 6.207 10.599 1.00 0.65 C ATOM 1032 OE1 GLN A 65 0.395 5.247 10.120 1.00 0.77 O flip ATOM 1033 NE2 GLN A 65 0.024 6.839 11.567 1.00 0.89 N flip ATOM 0 H GLN A 65 0.849 6.301 6.928 1.00 0.29 H new ATOM 0 HA GLN A 65 -1.220 5.690 7.677 1.00 0.32 H new ATOM 0 HB2 GLN A 65 -0.645 8.194 9.036 1.00 0.40 H new ATOM 0 HB3 GLN A 65 -2.355 8.142 8.658 1.00 0.40 H new ATOM 0 HG2 GLN A 65 -2.384 6.938 10.660 1.00 0.52 H new ATOM 0 HG3 GLN A 65 -2.140 5.610 9.543 1.00 0.52 H new ATOM 0 HE21 GLN A 65 -0.557 7.589 11.941 1.00 0.89 H new ATOM 0 HE22 GLN A 65 0.918 6.620 12.006 1.00 0.89 H new ATOM 1042 N THR A 66 -1.813 7.012 5.147 1.00 0.26 N ATOM 1043 CA THR A 66 -2.768 7.341 4.041 1.00 0.27 C ATOM 1044 C THR A 66 -3.553 6.079 3.645 1.00 0.25 C ATOM 1045 O THR A 66 -3.157 4.967 3.953 1.00 0.30 O ATOM 1046 CB THR A 66 -1.993 7.892 2.830 1.00 0.33 C ATOM 1047 OG1 THR A 66 -2.905 8.491 1.917 1.00 0.43 O ATOM 1048 CG2 THR A 66 -1.232 6.765 2.123 1.00 0.35 C ATOM 0 H THR A 66 -0.890 6.703 4.843 1.00 0.26 H new ATOM 0 HA THR A 66 -3.471 8.101 4.382 1.00 0.27 H new ATOM 0 HB THR A 66 -1.277 8.635 3.180 1.00 0.33 H new ATOM 0 HG1 THR A 66 -2.458 9.220 1.438 1.00 0.43 H new ATOM 0 HG21 THR A 66 -0.690 7.172 1.269 1.00 0.35 H new ATOM 0 HG22 THR A 66 -0.526 6.311 2.818 1.00 0.35 H new ATOM 0 HG23 THR A 66 -1.938 6.010 1.778 1.00 0.35 H new ATOM 1056 N ASN A 67 -4.667 6.250 2.972 1.00 0.25 N ATOM 1057 CA ASN A 67 -5.491 5.073 2.562 1.00 0.27 C ATOM 1058 C ASN A 67 -5.251 4.747 1.083 1.00 0.27 C ATOM 1059 O ASN A 67 -5.362 5.600 0.220 1.00 0.39 O ATOM 1060 CB ASN A 67 -6.973 5.389 2.786 1.00 0.33 C ATOM 1061 CG ASN A 67 -7.518 4.503 3.909 1.00 0.96 C ATOM 1062 OD1 ASN A 67 -7.492 4.882 5.063 1.00 1.43 O ATOM 1063 ND2 ASN A 67 -8.010 3.329 3.617 1.00 1.52 N ATOM 0 H ASN A 67 -5.040 7.157 2.690 1.00 0.25 H new ATOM 0 HA ASN A 67 -5.204 4.210 3.163 1.00 0.27 H new ATOM 0 HB2 ASN A 67 -7.097 6.441 3.045 1.00 0.33 H new ATOM 0 HB3 ASN A 67 -7.535 5.218 1.868 1.00 0.33 H new ATOM 0 HD21 ASN A 67 -8.373 2.729 4.358 1.00 1.52 H new ATOM 0 HD22 ASN A 67 -8.031 3.012 2.648 1.00 1.52 H new ATOM 1070 N LEU A 68 -4.927 3.507 0.793 1.00 0.26 N ATOM 1071 CA LEU A 68 -4.681 3.082 -0.620 1.00 0.28 C ATOM 1072 C LEU A 68 -5.733 2.042 -1.029 1.00 0.26 C ATOM 1073 O LEU A 68 -6.224 1.287 -0.207 1.00 0.29 O ATOM 1074 CB LEU A 68 -3.280 2.460 -0.733 1.00 0.33 C ATOM 1075 CG LEU A 68 -2.327 3.411 -1.473 1.00 0.42 C ATOM 1076 CD1 LEU A 68 -2.841 3.666 -2.894 1.00 0.56 C ATOM 1077 CD2 LEU A 68 -2.230 4.741 -0.717 1.00 0.52 C ATOM 0 H LEU A 68 -4.822 2.765 1.485 1.00 0.26 H new ATOM 0 HA LEU A 68 -4.748 3.949 -1.277 1.00 0.28 H new ATOM 0 HB2 LEU A 68 -2.889 2.246 0.262 1.00 0.33 H new ATOM 0 HB3 LEU A 68 -3.339 1.510 -1.264 1.00 0.33 H new ATOM 0 HG LEU A 68 -1.340 2.952 -1.526 1.00 0.42 H new ATOM 0 HD11 LEU A 68 -2.160 4.341 -3.412 1.00 0.56 H new ATOM 0 HD12 LEU A 68 -2.897 2.722 -3.436 1.00 0.56 H new ATOM 0 HD13 LEU A 68 -3.832 4.117 -2.847 1.00 0.56 H new ATOM 0 HD21 LEU A 68 -1.553 5.412 -1.246 1.00 0.52 H new ATOM 0 HD22 LEU A 68 -3.218 5.197 -0.655 1.00 0.52 H new ATOM 0 HD23 LEU A 68 -1.850 4.561 0.289 1.00 0.52 H new ATOM 1089 N GLU A 69 -6.079 1.995 -2.293 1.00 0.28 N ATOM 1090 CA GLU A 69 -7.095 1.006 -2.766 1.00 0.28 C ATOM 1091 C GLU A 69 -6.383 -0.198 -3.394 1.00 0.25 C ATOM 1092 O GLU A 69 -5.440 -0.044 -4.150 1.00 0.30 O ATOM 1093 CB GLU A 69 -8.004 1.667 -3.809 1.00 0.34 C ATOM 1094 CG GLU A 69 -9.103 0.685 -4.236 1.00 0.34 C ATOM 1095 CD GLU A 69 -8.909 0.291 -5.707 1.00 0.37 C ATOM 1096 OE1 GLU A 69 -8.045 -0.531 -5.974 1.00 0.40 O ATOM 1097 OE2 GLU A 69 -9.632 0.812 -6.539 1.00 0.52 O ATOM 0 H GLU A 69 -5.699 2.602 -3.019 1.00 0.28 H new ATOM 0 HA GLU A 69 -7.697 0.670 -1.922 1.00 0.28 H new ATOM 0 HB2 GLU A 69 -8.451 2.570 -3.395 1.00 0.34 H new ATOM 0 HB3 GLU A 69 -7.417 1.971 -4.676 1.00 0.34 H new ATOM 0 HG2 GLU A 69 -9.074 -0.204 -3.606 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -10.084 1.141 -4.099 1.00 0.34 H new ATOM 1104 N LEU A 70 -6.835 -1.393 -3.092 1.00 0.24 N ATOM 1105 CA LEU A 70 -6.198 -2.614 -3.673 1.00 0.24 C ATOM 1106 C LEU A 70 -7.269 -3.459 -4.371 1.00 0.25 C ATOM 1107 O LEU A 70 -8.197 -3.946 -3.748 1.00 0.41 O ATOM 1108 CB LEU A 70 -5.530 -3.429 -2.557 1.00 0.28 C ATOM 1109 CG LEU A 70 -4.793 -4.637 -3.156 1.00 0.31 C ATOM 1110 CD1 LEU A 70 -3.751 -4.165 -4.177 1.00 0.37 C ATOM 1111 CD2 LEU A 70 -4.089 -5.409 -2.037 1.00 0.42 C ATOM 0 H LEU A 70 -7.620 -1.573 -2.466 1.00 0.24 H new ATOM 0 HA LEU A 70 -5.439 -2.322 -4.399 1.00 0.24 H new ATOM 0 HB2 LEU A 70 -4.829 -2.801 -2.007 1.00 0.28 H new ATOM 0 HB3 LEU A 70 -6.281 -3.768 -1.844 1.00 0.28 H new ATOM 0 HG LEU A 70 -5.516 -5.283 -3.654 1.00 0.31 H new ATOM 0 HD11 LEU A 70 -3.234 -5.029 -4.595 1.00 0.37 H new ATOM 0 HD12 LEU A 70 -4.248 -3.617 -4.977 1.00 0.37 H new ATOM 0 HD13 LEU A 70 -3.029 -3.514 -3.685 1.00 0.37 H new ATOM 0 HD21 LEU A 70 -3.566 -6.266 -2.460 1.00 0.42 H new ATOM 0 HD22 LEU A 70 -3.372 -4.756 -1.539 1.00 0.42 H new ATOM 0 HD23 LEU A 70 -4.827 -5.755 -1.314 1.00 0.42 H new ATOM 1123 N TYR A 71 -7.144 -3.628 -5.665 1.00 0.24 N ATOM 1124 CA TYR A 71 -8.141 -4.431 -6.437 1.00 0.28 C ATOM 1125 C TYR A 71 -7.487 -5.726 -6.938 1.00 0.27 C ATOM 1126 O TYR A 71 -6.274 -5.833 -7.009 1.00 0.35 O ATOM 1127 CB TYR A 71 -8.629 -3.603 -7.632 1.00 0.35 C ATOM 1128 CG TYR A 71 -10.058 -3.160 -7.405 1.00 0.41 C ATOM 1129 CD1 TYR A 71 -10.443 -2.626 -6.166 1.00 0.58 C ATOM 1130 CD2 TYR A 71 -10.998 -3.282 -8.435 1.00 0.61 C ATOM 1131 CE1 TYR A 71 -11.766 -2.218 -5.960 1.00 0.72 C ATOM 1132 CE2 TYR A 71 -12.320 -2.874 -8.228 1.00 0.79 C ATOM 1133 CZ TYR A 71 -12.705 -2.342 -6.992 1.00 0.78 C ATOM 1134 OH TYR A 71 -14.009 -1.940 -6.790 1.00 0.99 O ATOM 0 H TYR A 71 -6.385 -3.239 -6.224 1.00 0.24 H new ATOM 0 HA TYR A 71 -8.985 -4.685 -5.795 1.00 0.28 H new ATOM 0 HB2 TYR A 71 -7.987 -2.733 -7.768 1.00 0.35 H new ATOM 0 HB3 TYR A 71 -8.563 -4.194 -8.546 1.00 0.35 H new ATOM 0 HD1 TYR A 71 -9.718 -2.530 -5.371 1.00 0.58 H new ATOM 0 HD2 TYR A 71 -10.703 -3.691 -9.390 1.00 0.61 H new ATOM 0 HE1 TYR A 71 -12.063 -1.808 -5.006 1.00 0.72 H new ATOM 0 HE2 TYR A 71 -13.045 -2.970 -9.023 1.00 0.79 H new ATOM 0 HH TYR A 71 -14.529 -2.094 -7.606 1.00 0.99 H new ATOM 1144 N TYR A 72 -8.285 -6.712 -7.282 1.00 0.29 N ATOM 1145 CA TYR A 72 -7.721 -8.008 -7.775 1.00 0.32 C ATOM 1146 C TYR A 72 -7.963 -8.145 -9.283 1.00 0.38 C ATOM 1147 O TYR A 72 -9.089 -8.267 -9.732 1.00 0.51 O ATOM 1148 CB TYR A 72 -8.397 -9.171 -7.041 1.00 0.38 C ATOM 1149 CG TYR A 72 -7.675 -9.433 -5.740 1.00 0.38 C ATOM 1150 CD1 TYR A 72 -8.067 -8.765 -4.574 1.00 0.59 C ATOM 1151 CD2 TYR A 72 -6.611 -10.344 -5.702 1.00 0.50 C ATOM 1152 CE1 TYR A 72 -7.397 -9.008 -3.369 1.00 0.68 C ATOM 1153 CE2 TYR A 72 -5.942 -10.586 -4.497 1.00 0.52 C ATOM 1154 CZ TYR A 72 -6.334 -9.918 -3.331 1.00 0.52 C ATOM 1155 OH TYR A 72 -5.671 -10.157 -2.143 1.00 0.63 O ATOM 0 H TYR A 72 -9.303 -6.673 -7.242 1.00 0.29 H new ATOM 0 HA TYR A 72 -6.648 -8.027 -7.583 1.00 0.32 H new ATOM 0 HB2 TYR A 72 -9.443 -8.934 -6.847 1.00 0.38 H new ATOM 0 HB3 TYR A 72 -8.383 -10.065 -7.664 1.00 0.38 H new ATOM 0 HD1 TYR A 72 -8.886 -8.062 -4.604 1.00 0.59 H new ATOM 0 HD2 TYR A 72 -6.308 -10.859 -6.602 1.00 0.50 H new ATOM 0 HE1 TYR A 72 -7.700 -8.494 -2.469 1.00 0.68 H new ATOM 0 HE2 TYR A 72 -5.123 -11.289 -4.467 1.00 0.52 H new ATOM 0 HH TYR A 72 -5.749 -9.372 -1.561 1.00 0.63 H new ATOM 1165 N LEU A 73 -6.909 -8.132 -10.063 1.00 0.46 N ATOM 1166 CA LEU A 73 -7.059 -8.266 -11.545 1.00 0.55 C ATOM 1167 C LEU A 73 -6.263 -9.486 -12.035 1.00 0.98 C ATOM 1168 O LEU A 73 -5.064 -9.531 -11.801 1.00 1.31 O ATOM 1169 CB LEU A 73 -6.539 -6.992 -12.229 1.00 0.76 C ATOM 1170 CG LEU A 73 -7.650 -6.347 -13.069 1.00 0.87 C ATOM 1171 CD1 LEU A 73 -8.100 -7.314 -14.171 1.00 0.96 C ATOM 1172 CD2 LEU A 73 -8.844 -6.002 -12.168 1.00 1.20 C ATOM 1173 OXT LEU A 73 -6.871 -10.359 -12.633 1.00 1.22 O ATOM 0 H LEU A 73 -5.948 -8.034 -9.735 1.00 0.46 H new ATOM 0 HA LEU A 73 -8.111 -8.403 -11.795 1.00 0.55 H new ATOM 0 HB2 LEU A 73 -6.186 -6.286 -11.478 1.00 0.76 H new ATOM 0 HB3 LEU A 73 -5.687 -7.234 -12.865 1.00 0.76 H new ATOM 0 HG LEU A 73 -7.267 -5.436 -13.528 1.00 0.87 H new ATOM 0 HD11 LEU A 73 -8.889 -6.849 -14.763 1.00 0.96 H new ATOM 0 HD12 LEU A 73 -7.253 -7.550 -14.816 1.00 0.96 H new ATOM 0 HD13 LEU A 73 -8.478 -8.231 -13.719 1.00 0.96 H new ATOM 0 HD21 LEU A 73 -9.631 -5.544 -12.767 1.00 1.20 H new ATOM 0 HD22 LEU A 73 -9.224 -6.912 -11.703 1.00 1.20 H new ATOM 0 HD23 LEU A 73 -8.526 -5.305 -11.393 1.00 1.20 H new