USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 690 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 14 LYS NZ :NH3+ -159:sc= -7.35! (180deg=0) USER MOD Set 1.2: A 53 HIS :FLIP no HD1:sc= -5.43! C(o=-15!,f=-13!) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 165:sc= -1.08 (180deg=-1.59) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc=-0.00231 K(o=-0.0023,f=-1.7!) USER MOD Single : A 36 THR OG1 : rot 19:sc= 0.714 USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= -0.398 (180deg=-1.15) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -10.5! C(o=-12!,f=-11!) USER MOD Single : A 57 THR OG1 : rot -65:sc= 0.472 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.25) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.633 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 148:sc= -3.43! (180deg=-3.95!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00257 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= -2.45 (180deg=-2.75!) USER MOD ----------------------------------------------------------------- ATOM 46 N GLU A 5 -13.737 0.816 -6.411 1.00 1.58 N ATOM 47 CA GLU A 5 -12.660 -0.103 -6.889 1.00 1.64 C ATOM 48 C GLU A 5 -11.914 -0.624 -5.659 1.00 1.26 C ATOM 49 O GLU A 5 -11.808 0.060 -4.660 1.00 1.71 O ATOM 50 CB GLU A 5 -11.686 0.614 -7.829 1.00 2.56 C ATOM 51 CG GLU A 5 -12.417 1.117 -9.069 1.00 3.25 C ATOM 52 CD GLU A 5 -11.399 1.747 -10.021 1.00 4.18 C ATOM 53 OE1 GLU A 5 -10.262 1.922 -9.608 1.00 4.72 O ATOM 54 OE2 GLU A 5 -11.767 2.039 -11.144 1.00 4.68 O ATOM 0 HA GLU A 5 -13.105 -0.923 -7.452 1.00 1.64 H new ATOM 0 HB2 GLU A 5 -11.219 1.451 -7.310 1.00 2.56 H new ATOM 0 HB3 GLU A 5 -10.886 -0.066 -8.122 1.00 2.56 H new ATOM 0 HG2 GLU A 5 -12.935 0.294 -9.561 1.00 3.25 H new ATOM 0 HG3 GLU A 5 -13.175 1.849 -8.789 1.00 3.25 H new ATOM 61 N VAL A 6 -11.411 -1.821 -5.702 1.00 1.37 N ATOM 62 CA VAL A 6 -10.685 -2.419 -4.549 1.00 1.13 C ATOM 63 C VAL A 6 -9.438 -3.078 -5.151 1.00 0.99 C ATOM 64 O VAL A 6 -9.453 -3.416 -6.316 1.00 1.03 O ATOM 65 CB VAL A 6 -11.568 -3.414 -3.820 1.00 1.36 C ATOM 66 CG1 VAL A 6 -11.875 -4.575 -4.748 1.00 2.38 C ATOM 67 CG2 VAL A 6 -10.831 -3.890 -2.564 1.00 1.54 C ATOM 0 H VAL A 6 -11.475 -2.432 -6.517 1.00 1.37 H new ATOM 0 HA VAL A 6 -10.406 -1.676 -3.802 1.00 1.13 H new ATOM 0 HB VAL A 6 -12.510 -2.954 -3.522 1.00 1.36 H new ATOM 0 HG11 VAL A 6 -12.510 -5.295 -4.232 1.00 2.38 H new ATOM 0 HG12 VAL A 6 -12.392 -4.206 -5.634 1.00 2.38 H new ATOM 0 HG13 VAL A 6 -10.945 -5.059 -5.046 1.00 2.38 H new ATOM 0 HG21 VAL A 6 -11.452 -4.607 -2.027 1.00 1.54 H new ATOM 0 HG22 VAL A 6 -9.893 -4.366 -2.851 1.00 1.54 H new ATOM 0 HG23 VAL A 6 -10.622 -3.036 -1.919 1.00 1.54 H new ATOM 77 N GLY A 7 -8.353 -3.270 -4.440 1.00 0.95 N ATOM 78 CA GLY A 7 -7.169 -3.902 -5.100 1.00 0.96 C ATOM 79 C GLY A 7 -6.317 -2.782 -5.683 1.00 0.91 C ATOM 80 O GLY A 7 -5.362 -2.996 -6.402 1.00 1.47 O ATOM 0 H GLY A 7 -8.237 -3.024 -3.457 1.00 0.95 H new ATOM 0 HA2 GLY A 7 -6.595 -4.485 -4.380 1.00 0.96 H new ATOM 0 HA3 GLY A 7 -7.488 -4.589 -5.884 1.00 0.96 H new ATOM 84 N ARG A 8 -6.678 -1.585 -5.341 1.00 0.62 N ATOM 85 CA ARG A 8 -5.941 -0.386 -5.811 1.00 0.60 C ATOM 86 C ARG A 8 -4.556 -0.369 -5.194 1.00 0.52 C ATOM 87 O ARG A 8 -4.331 -0.918 -4.133 1.00 0.57 O ATOM 88 CB ARG A 8 -6.605 0.896 -5.355 1.00 0.67 C ATOM 89 CG ARG A 8 -8.018 1.077 -5.902 1.00 1.19 C ATOM 90 CD ARG A 8 -8.510 2.455 -5.451 1.00 1.16 C ATOM 91 NE ARG A 8 -9.966 2.596 -5.710 1.00 1.98 N ATOM 92 CZ ARG A 8 -10.493 3.781 -5.862 1.00 2.55 C ATOM 93 NH1 ARG A 8 -9.748 4.847 -5.757 1.00 2.63 N ATOM 94 NH2 ARG A 8 -11.769 3.902 -6.109 1.00 3.56 N ATOM 0 H ARG A 8 -7.475 -1.381 -4.739 1.00 0.62 H new ATOM 0 HA ARG A 8 -5.918 -0.439 -6.899 1.00 0.60 H new ATOM 0 HB2 ARG A 8 -6.641 0.910 -4.266 1.00 0.67 H new ATOM 0 HB3 ARG A 8 -5.993 1.743 -5.664 1.00 0.67 H new ATOM 0 HG2 ARG A 8 -8.021 1.005 -6.990 1.00 1.19 H new ATOM 0 HG3 ARG A 8 -8.677 0.293 -5.529 1.00 1.19 H new ATOM 0 HD2 ARG A 8 -8.309 2.590 -4.388 1.00 1.16 H new ATOM 0 HD3 ARG A 8 -7.963 3.235 -5.981 1.00 1.16 H new ATOM 0 HE ARG A 8 -10.555 1.766 -5.769 1.00 1.98 H new ATOM 0 HH11 ARG A 8 -8.752 4.755 -5.556 1.00 2.63 H new ATOM 0 HH12 ARG A 8 -10.161 5.772 -5.876 1.00 2.63 H new ATOM 0 HH21 ARG A 8 -12.355 3.071 -6.183 1.00 3.56 H new ATOM 0 HH22 ARG A 8 -12.180 4.828 -6.228 1.00 3.56 H new ATOM 108 N ILE A 9 -3.652 0.323 -5.813 1.00 0.50 N ATOM 109 CA ILE A 9 -2.295 0.464 -5.228 1.00 0.51 C ATOM 110 C ILE A 9 -2.214 1.903 -4.744 1.00 0.41 C ATOM 111 O ILE A 9 -2.723 2.803 -5.399 1.00 0.39 O ATOM 112 CB ILE A 9 -1.239 0.220 -6.290 1.00 0.64 C ATOM 113 CG1 ILE A 9 -1.491 -1.129 -6.975 1.00 1.05 C ATOM 114 CG2 ILE A 9 0.148 0.209 -5.639 1.00 0.92 C ATOM 115 CD1 ILE A 9 -1.704 -2.227 -5.931 1.00 1.43 C ATOM 0 H ILE A 9 -3.793 0.800 -6.703 1.00 0.50 H new ATOM 0 HA ILE A 9 -2.124 -0.252 -4.424 1.00 0.51 H new ATOM 0 HB ILE A 9 -1.288 1.016 -7.033 1.00 0.64 H new ATOM 0 HG12 ILE A 9 -2.366 -1.058 -7.621 1.00 1.05 H new ATOM 0 HG13 ILE A 9 -0.644 -1.384 -7.612 1.00 1.05 H new ATOM 0 HG21 ILE A 9 0.907 0.034 -6.402 1.00 0.92 H new ATOM 0 HG22 ILE A 9 0.332 1.170 -5.158 1.00 0.92 H new ATOM 0 HG23 ILE A 9 0.194 -0.584 -4.893 1.00 0.92 H new ATOM 0 HD11 ILE A 9 -1.882 -3.178 -6.434 1.00 1.43 H new ATOM 0 HD12 ILE A 9 -0.817 -2.309 -5.303 1.00 1.43 H new ATOM 0 HD13 ILE A 9 -2.566 -1.978 -5.311 1.00 1.43 H new ATOM 127 N CYS A 10 -1.704 2.134 -3.559 1.00 0.40 N ATOM 128 CA CYS A 10 -1.705 3.516 -2.994 1.00 0.35 C ATOM 129 C CYS A 10 -0.325 3.970 -2.516 1.00 0.35 C ATOM 130 O CYS A 10 0.534 3.185 -2.187 1.00 0.40 O ATOM 131 CB CYS A 10 -2.576 3.463 -1.747 1.00 0.36 C ATOM 132 SG CYS A 10 -2.131 1.980 -0.782 1.00 1.19 S ATOM 0 H CYS A 10 -1.287 1.423 -2.959 1.00 0.40 H new ATOM 0 HA CYS A 10 -2.046 4.200 -3.771 1.00 0.35 H new ATOM 0 HB2 CYS A 10 -2.431 4.361 -1.147 1.00 0.36 H new ATOM 0 HB3 CYS A 10 -3.630 3.431 -2.024 1.00 0.36 H new ATOM 137 N VAL A 11 -0.136 5.260 -2.477 1.00 0.34 N ATOM 138 CA VAL A 11 1.165 5.848 -2.008 1.00 0.41 C ATOM 139 C VAL A 11 0.903 6.868 -0.894 1.00 0.41 C ATOM 140 O VAL A 11 -0.021 7.634 -0.988 1.00 0.39 O ATOM 141 CB VAL A 11 1.858 6.566 -3.169 1.00 0.53 C ATOM 142 CG1 VAL A 11 3.235 7.079 -2.720 1.00 0.79 C ATOM 143 CG2 VAL A 11 2.040 5.600 -4.347 1.00 0.95 C ATOM 0 H VAL A 11 -0.836 5.948 -2.754 1.00 0.34 H new ATOM 0 HA VAL A 11 1.798 5.043 -1.635 1.00 0.41 H new ATOM 0 HB VAL A 11 1.239 7.408 -3.480 1.00 0.53 H new ATOM 0 HG11 VAL A 11 3.722 7.589 -3.551 1.00 0.79 H new ATOM 0 HG12 VAL A 11 3.111 7.775 -1.890 1.00 0.79 H new ATOM 0 HG13 VAL A 11 3.850 6.238 -2.400 1.00 0.79 H new ATOM 0 HG21 VAL A 11 2.534 6.118 -5.169 1.00 0.95 H new ATOM 0 HG22 VAL A 11 2.651 4.754 -4.032 1.00 0.95 H new ATOM 0 HG23 VAL A 11 1.065 5.241 -4.677 1.00 0.95 H new ATOM 153 N LYS A 12 1.664 6.926 0.172 1.00 0.50 N ATOM 154 CA LYS A 12 1.349 7.952 1.222 1.00 0.58 C ATOM 155 C LYS A 12 2.012 9.279 0.864 1.00 0.66 C ATOM 156 O LYS A 12 3.192 9.311 0.575 1.00 0.86 O ATOM 157 CB LYS A 12 1.992 7.467 2.529 1.00 0.77 C ATOM 158 CG LYS A 12 1.603 8.360 3.706 1.00 1.44 C ATOM 159 CD LYS A 12 2.315 7.845 4.960 1.00 1.81 C ATOM 160 CE LYS A 12 1.831 8.606 6.194 1.00 2.64 C ATOM 161 NZ LYS A 12 2.131 7.808 7.417 1.00 3.12 N ATOM 0 H LYS A 12 2.468 6.327 0.361 1.00 0.50 H new ATOM 0 HA LYS A 12 0.270 8.084 1.306 1.00 0.58 H new ATOM 0 HB2 LYS A 12 1.682 6.442 2.730 1.00 0.77 H new ATOM 0 HB3 LYS A 12 3.077 7.457 2.421 1.00 0.77 H new ATOM 0 HG2 LYS A 12 1.886 9.394 3.507 1.00 1.44 H new ATOM 0 HG3 LYS A 12 0.523 8.347 3.851 1.00 1.44 H new ATOM 0 HD2 LYS A 12 2.124 6.779 5.083 1.00 1.81 H new ATOM 0 HD3 LYS A 12 3.393 7.965 4.850 1.00 1.81 H new ATOM 0 HE2 LYS A 12 2.321 9.578 6.251 1.00 2.64 H new ATOM 0 HE3 LYS A 12 0.760 8.793 6.122 1.00 2.64 H new ATOM 0 HZ1 LYS A 12 1.802 8.324 8.258 1.00 3.12 H new ATOM 0 HZ2 LYS A 12 1.644 6.891 7.361 1.00 3.12 H new ATOM 0 HZ3 LYS A 12 3.157 7.651 7.486 1.00 3.12 H new ATOM 175 N VAL A 13 1.280 10.383 0.896 1.00 0.63 N ATOM 176 CA VAL A 13 1.949 11.678 0.566 1.00 0.80 C ATOM 177 C VAL A 13 1.861 12.695 1.709 1.00 0.93 C ATOM 178 O VAL A 13 0.802 13.121 2.126 1.00 0.88 O ATOM 179 CB VAL A 13 1.254 12.275 -0.644 1.00 0.82 C ATOM 180 CG1 VAL A 13 1.987 13.539 -1.101 1.00 1.69 C ATOM 181 CG2 VAL A 13 1.230 11.250 -1.772 1.00 1.27 C ATOM 0 H VAL A 13 0.288 10.435 1.128 1.00 0.63 H new ATOM 0 HA VAL A 13 3.003 11.470 0.381 1.00 0.80 H new ATOM 0 HB VAL A 13 0.232 12.542 -0.376 1.00 0.82 H new ATOM 0 HG11 VAL A 13 1.480 13.959 -1.970 1.00 1.69 H new ATOM 0 HG12 VAL A 13 1.989 14.271 -0.293 1.00 1.69 H new ATOM 0 HG13 VAL A 13 3.014 13.288 -1.366 1.00 1.69 H new ATOM 0 HG21 VAL A 13 0.731 11.678 -2.642 1.00 1.27 H new ATOM 0 HG22 VAL A 13 2.251 10.977 -2.037 1.00 1.27 H new ATOM 0 HG23 VAL A 13 0.690 10.361 -1.445 1.00 1.27 H new ATOM 191 N LYS A 14 3.005 13.138 2.133 1.00 1.19 N ATOM 192 CA LYS A 14 3.134 14.202 3.168 1.00 1.42 C ATOM 193 C LYS A 14 4.374 15.020 2.831 1.00 1.67 C ATOM 194 O LYS A 14 5.291 14.498 2.229 1.00 1.73 O ATOM 195 CB LYS A 14 3.247 13.616 4.577 1.00 1.43 C ATOM 196 CG LYS A 14 1.956 12.879 4.933 1.00 1.52 C ATOM 197 CD LYS A 14 2.027 12.419 6.391 1.00 1.56 C ATOM 198 CE LYS A 14 0.778 11.608 6.740 1.00 2.28 C ATOM 199 NZ LYS A 14 -0.309 12.534 7.163 1.00 2.43 N ATOM 0 H LYS A 14 3.900 12.790 1.789 1.00 1.19 H new ATOM 0 HA LYS A 14 2.241 14.826 3.163 1.00 1.42 H new ATOM 0 HB2 LYS A 14 4.094 12.932 4.630 1.00 1.43 H new ATOM 0 HB3 LYS A 14 3.434 14.412 5.298 1.00 1.43 H new ATOM 0 HG2 LYS A 14 1.097 13.534 4.787 1.00 1.52 H new ATOM 0 HG3 LYS A 14 1.819 12.021 4.274 1.00 1.52 H new ATOM 0 HD2 LYS A 14 2.920 11.814 6.548 1.00 1.56 H new ATOM 0 HD3 LYS A 14 2.107 13.283 7.051 1.00 1.56 H new ATOM 0 HE2 LYS A 14 0.458 11.023 5.878 1.00 2.28 H new ATOM 0 HE3 LYS A 14 1.001 10.902 7.540 1.00 2.28 H new ATOM 0 HZ1 LYS A 14 -1.011 12.012 7.725 1.00 2.43 H new ATOM 0 HZ2 LYS A 14 0.093 13.302 7.738 1.00 2.43 H new ATOM 0 HZ3 LYS A 14 -0.769 12.936 6.322 1.00 2.43 H new ATOM 213 N GLY A 15 4.468 16.263 3.205 1.00 1.91 N ATOM 214 CA GLY A 15 5.722 16.990 2.865 1.00 2.20 C ATOM 215 C GLY A 15 6.722 16.718 3.989 1.00 2.22 C ATOM 216 O GLY A 15 6.618 17.264 5.066 1.00 2.26 O ATOM 0 H GLY A 15 3.760 16.793 3.713 1.00 1.91 H new ATOM 0 HA2 GLY A 15 6.117 16.649 1.908 1.00 2.20 H new ATOM 0 HA3 GLY A 15 5.533 18.059 2.769 1.00 2.20 H new ATOM 220 N ARG A 16 7.659 15.829 3.703 1.00 2.31 N ATOM 221 CA ARG A 16 8.730 15.375 4.663 1.00 2.37 C ATOM 222 C ARG A 16 8.533 13.860 4.872 1.00 2.28 C ATOM 223 O ARG A 16 7.440 13.410 5.144 1.00 2.27 O ATOM 224 CB ARG A 16 8.693 16.131 6.003 1.00 2.49 C ATOM 225 CG ARG A 16 9.896 15.719 6.852 1.00 2.87 C ATOM 226 CD ARG A 16 9.824 16.413 8.213 1.00 3.02 C ATOM 227 NE ARG A 16 9.858 17.889 8.004 1.00 3.63 N ATOM 228 CZ ARG A 16 9.772 18.704 9.020 1.00 4.15 C ATOM 229 NH1 ARG A 16 9.659 18.231 10.233 1.00 4.18 N ATOM 230 NH2 ARG A 16 9.802 19.993 8.821 1.00 4.93 N ATOM 0 H ARG A 16 7.724 15.377 2.791 1.00 2.31 H new ATOM 0 HA ARG A 16 9.712 15.592 4.242 1.00 2.37 H new ATOM 0 HB2 ARG A 16 8.710 17.207 5.827 1.00 2.49 H new ATOM 0 HB3 ARG A 16 7.767 15.909 6.533 1.00 2.49 H new ATOM 0 HG2 ARG A 16 9.907 14.637 6.984 1.00 2.87 H new ATOM 0 HG3 ARG A 16 10.822 15.988 6.344 1.00 2.87 H new ATOM 0 HD2 ARG A 16 8.910 16.127 8.734 1.00 3.02 H new ATOM 0 HD3 ARG A 16 10.660 16.102 8.840 1.00 3.02 H new ATOM 0 HE ARG A 16 9.949 18.265 7.060 1.00 3.63 H new ATOM 0 HH11 ARG A 16 9.638 17.223 10.387 1.00 4.18 H new ATOM 0 HH12 ARG A 16 9.592 18.870 11.025 1.00 4.18 H new ATOM 0 HH21 ARG A 16 9.892 20.361 7.874 1.00 4.93 H new ATOM 0 HH22 ARG A 16 9.735 20.633 9.612 1.00 4.93 H new ATOM 244 N GLU A 17 9.568 13.086 4.630 1.00 2.28 N ATOM 245 CA GLU A 17 9.499 11.582 4.679 1.00 2.23 C ATOM 246 C GLU A 17 8.732 11.118 3.449 1.00 1.93 C ATOM 247 O GLU A 17 9.342 10.811 2.448 1.00 2.50 O ATOM 248 CB GLU A 17 8.826 11.021 5.952 1.00 2.57 C ATOM 249 CG GLU A 17 9.657 11.348 7.197 1.00 2.68 C ATOM 250 CD GLU A 17 11.041 10.702 7.099 1.00 2.78 C ATOM 251 OE1 GLU A 17 11.194 9.785 6.310 1.00 3.13 O ATOM 252 OE2 GLU A 17 11.921 11.125 7.831 1.00 3.04 O ATOM 0 H GLU A 17 10.492 13.447 4.392 1.00 2.28 H new ATOM 0 HA GLU A 17 10.521 11.204 4.698 1.00 2.23 H new ATOM 0 HB2 GLU A 17 7.826 11.442 6.056 1.00 2.57 H new ATOM 0 HB3 GLU A 17 8.709 9.941 5.861 1.00 2.57 H new ATOM 0 HG2 GLU A 17 9.759 12.428 7.300 1.00 2.68 H new ATOM 0 HG3 GLU A 17 9.144 10.990 8.089 1.00 2.68 H new ATOM 259 N ALA A 18 7.417 11.068 3.527 1.00 1.46 N ATOM 260 CA ALA A 18 6.565 10.623 2.379 1.00 1.34 C ATOM 261 C ALA A 18 7.401 10.063 1.231 1.00 1.18 C ATOM 262 O ALA A 18 8.065 10.779 0.507 1.00 1.77 O ATOM 263 CB ALA A 18 5.771 11.816 1.869 1.00 1.78 C ATOM 0 H ALA A 18 6.890 11.325 4.362 1.00 1.46 H new ATOM 0 HA ALA A 18 5.906 9.831 2.734 1.00 1.34 H new ATOM 0 HB1 ALA A 18 5.146 11.506 1.032 1.00 1.78 H new ATOM 0 HB2 ALA A 18 5.140 12.202 2.670 1.00 1.78 H new ATOM 0 HB3 ALA A 18 6.457 12.596 1.539 1.00 1.78 H new ATOM 269 N GLY A 19 7.255 8.802 0.993 1.00 1.06 N ATOM 270 CA GLY A 19 7.883 8.131 -0.159 1.00 1.02 C ATOM 271 C GLY A 19 7.587 6.662 0.077 1.00 0.78 C ATOM 272 O GLY A 19 8.436 5.928 0.540 1.00 0.90 O ATOM 0 H GLY A 19 6.698 8.181 1.580 1.00 1.06 H new ATOM 0 HA2 GLY A 19 7.462 8.478 -1.103 1.00 1.02 H new ATOM 0 HA3 GLY A 19 8.955 8.322 -0.198 1.00 1.02 H new ATOM 276 N SER A 20 6.416 6.200 -0.241 1.00 0.62 N ATOM 277 CA SER A 20 6.158 4.762 -0.020 1.00 0.54 C ATOM 278 C SER A 20 4.947 4.303 -0.811 1.00 0.48 C ATOM 279 O SER A 20 4.023 5.067 -1.047 1.00 0.53 O ATOM 280 CB SER A 20 5.916 4.547 1.475 1.00 0.71 C ATOM 281 OG SER A 20 4.661 5.115 1.827 1.00 1.36 O ATOM 0 H SER A 20 5.646 6.741 -0.634 1.00 0.62 H new ATOM 0 HA SER A 20 7.016 4.180 -0.356 1.00 0.54 H new ATOM 0 HB2 SER A 20 5.926 3.482 1.709 1.00 0.71 H new ATOM 0 HB3 SER A 20 6.714 5.009 2.056 1.00 0.71 H new ATOM 0 HG SER A 20 4.498 4.980 2.784 1.00 1.36 H new ATOM 287 N LYS A 21 4.934 3.057 -1.198 1.00 0.45 N ATOM 288 CA LYS A 21 3.803 2.502 -1.984 1.00 0.44 C ATOM 289 C LYS A 21 3.085 1.442 -1.157 1.00 0.39 C ATOM 290 O LYS A 21 3.694 0.734 -0.380 1.00 0.39 O ATOM 291 CB LYS A 21 4.400 1.850 -3.227 1.00 0.51 C ATOM 292 CG LYS A 21 5.241 0.649 -2.788 1.00 1.45 C ATOM 293 CD LYS A 21 6.001 0.078 -3.963 1.00 1.74 C ATOM 294 CE LYS A 21 7.057 1.076 -4.424 1.00 2.27 C ATOM 295 NZ LYS A 21 7.535 1.906 -3.280 1.00 3.16 N ATOM 0 H LYS A 21 5.678 2.388 -0.996 1.00 0.45 H new ATOM 0 HA LYS A 21 3.092 3.283 -2.252 1.00 0.44 H new ATOM 0 HB2 LYS A 21 3.608 1.531 -3.905 1.00 0.51 H new ATOM 0 HB3 LYS A 21 5.016 2.566 -3.771 1.00 0.51 H new ATOM 0 HG2 LYS A 21 5.939 0.952 -2.008 1.00 1.45 H new ATOM 0 HG3 LYS A 21 4.596 -0.117 -2.358 1.00 1.45 H new ATOM 0 HD2 LYS A 21 6.474 -0.862 -3.680 1.00 1.74 H new ATOM 0 HD3 LYS A 21 5.314 -0.143 -4.780 1.00 1.74 H new ATOM 0 HE2 LYS A 21 7.897 0.544 -4.869 1.00 2.27 H new ATOM 0 HE3 LYS A 21 6.641 1.721 -5.199 1.00 2.27 H new ATOM 0 HZ1 LYS A 21 8.415 2.392 -3.547 1.00 3.16 H new ATOM 0 HZ2 LYS A 21 6.810 2.611 -3.036 1.00 3.16 H new ATOM 0 HZ3 LYS A 21 7.714 1.294 -2.458 1.00 3.16 H new ATOM 309 N CYS A 22 1.806 1.310 -1.337 1.00 0.39 N ATOM 310 CA CYS A 22 1.053 0.273 -0.588 1.00 0.38 C ATOM 311 C CYS A 22 -0.020 -0.345 -1.472 1.00 0.36 C ATOM 312 O CYS A 22 -0.448 0.234 -2.448 1.00 0.39 O ATOM 313 CB CYS A 22 0.384 0.898 0.641 1.00 0.46 C ATOM 314 SG CYS A 22 -0.416 2.475 0.190 1.00 0.78 S ATOM 0 H CYS A 22 1.246 1.878 -1.973 1.00 0.39 H new ATOM 0 HA CYS A 22 1.754 -0.501 -0.275 1.00 0.38 H new ATOM 0 HB2 CYS A 22 -0.356 0.210 1.050 1.00 0.46 H new ATOM 0 HB3 CYS A 22 1.126 1.068 1.421 1.00 0.46 H new ATOM 319 N VAL A 23 -0.488 -1.498 -1.098 1.00 0.34 N ATOM 320 CA VAL A 23 -1.575 -2.156 -1.855 1.00 0.35 C ATOM 321 C VAL A 23 -2.843 -1.956 -1.025 1.00 0.37 C ATOM 322 O VAL A 23 -2.812 -2.074 0.184 1.00 0.39 O ATOM 323 CB VAL A 23 -1.264 -3.643 -2.008 1.00 0.39 C ATOM 324 CG1 VAL A 23 -2.337 -4.307 -2.870 1.00 0.43 C ATOM 325 CG2 VAL A 23 0.100 -3.791 -2.684 1.00 0.41 C ATOM 0 H VAL A 23 -0.156 -2.019 -0.286 1.00 0.34 H new ATOM 0 HA VAL A 23 -1.689 -1.739 -2.855 1.00 0.35 H new ATOM 0 HB VAL A 23 -1.249 -4.121 -1.029 1.00 0.39 H new ATOM 0 HG11 VAL A 23 -2.112 -5.368 -2.977 1.00 0.43 H new ATOM 0 HG12 VAL A 23 -3.311 -4.189 -2.394 1.00 0.43 H new ATOM 0 HG13 VAL A 23 -2.355 -3.839 -3.854 1.00 0.43 H new ATOM 0 HG21 VAL A 23 0.336 -4.849 -2.800 1.00 0.41 H new ATOM 0 HG22 VAL A 23 0.074 -3.315 -3.664 1.00 0.41 H new ATOM 0 HG23 VAL A 23 0.864 -3.314 -2.070 1.00 0.41 H new ATOM 335 N ILE A 24 -3.945 -1.611 -1.648 1.00 0.37 N ATOM 336 CA ILE A 24 -5.173 -1.362 -0.836 1.00 0.41 C ATOM 337 C ILE A 24 -6.051 -2.603 -0.741 1.00 0.41 C ATOM 338 O ILE A 24 -6.351 -3.290 -1.697 1.00 0.41 O ATOM 339 CB ILE A 24 -5.994 -0.203 -1.416 1.00 0.44 C ATOM 340 CG1 ILE A 24 -5.128 1.063 -1.469 1.00 0.45 C ATOM 341 CG2 ILE A 24 -7.218 0.044 -0.526 1.00 0.48 C ATOM 342 CD1 ILE A 24 -5.900 2.211 -2.135 1.00 0.51 C ATOM 0 H ILE A 24 -4.045 -1.494 -2.656 1.00 0.37 H new ATOM 0 HA ILE A 24 -4.836 -1.098 0.166 1.00 0.41 H new ATOM 0 HB ILE A 24 -6.323 -0.455 -2.424 1.00 0.44 H new ATOM 0 HG12 ILE A 24 -4.832 1.352 -0.460 1.00 0.45 H new ATOM 0 HG13 ILE A 24 -4.212 0.862 -2.024 1.00 0.45 H new ATOM 0 HG21 ILE A 24 -7.805 0.867 -0.934 1.00 0.48 H new ATOM 0 HG22 ILE A 24 -7.831 -0.857 -0.492 1.00 0.48 H new ATOM 0 HG23 ILE A 24 -6.890 0.298 0.482 1.00 0.48 H new ATOM 0 HD11 ILE A 24 -5.273 3.102 -2.165 1.00 0.51 H new ATOM 0 HD12 ILE A 24 -6.173 1.925 -3.151 1.00 0.51 H new ATOM 0 HD13 ILE A 24 -6.803 2.422 -1.563 1.00 0.51 H new ATOM 354 N VAL A 25 -6.381 -2.887 0.478 1.00 0.44 N ATOM 355 CA VAL A 25 -7.163 -4.060 0.929 1.00 0.45 C ATOM 356 C VAL A 25 -8.582 -3.614 1.292 1.00 0.65 C ATOM 357 O VAL A 25 -9.159 -2.743 0.672 1.00 1.30 O ATOM 358 CB VAL A 25 -6.482 -4.738 2.113 1.00 0.65 C ATOM 359 CG1 VAL A 25 -6.993 -6.181 2.253 1.00 1.10 C ATOM 360 CG2 VAL A 25 -4.972 -4.763 1.882 1.00 0.68 C ATOM 0 H VAL A 25 -6.108 -2.286 1.256 1.00 0.44 H new ATOM 0 HA VAL A 25 -7.218 -4.789 0.121 1.00 0.45 H new ATOM 0 HB VAL A 25 -6.710 -4.183 3.023 1.00 0.65 H new ATOM 0 HG11 VAL A 25 -6.503 -6.660 3.101 1.00 1.10 H new ATOM 0 HG12 VAL A 25 -8.071 -6.171 2.415 1.00 1.10 H new ATOM 0 HG13 VAL A 25 -6.768 -6.737 1.342 1.00 1.10 H new ATOM 0 HG21 VAL A 25 -4.483 -5.247 2.727 1.00 0.68 H new ATOM 0 HG22 VAL A 25 -4.753 -5.317 0.969 1.00 0.68 H new ATOM 0 HG23 VAL A 25 -4.602 -3.742 1.785 1.00 0.68 H new ATOM 370 N ASP A 26 -9.179 -4.321 2.196 1.00 0.41 N ATOM 371 CA ASP A 26 -10.609 -4.136 2.563 1.00 0.53 C ATOM 372 C ASP A 26 -10.817 -2.799 3.238 1.00 0.43 C ATOM 373 O ASP A 26 -9.878 -2.146 3.647 1.00 0.45 O ATOM 374 CB ASP A 26 -10.901 -5.160 3.645 1.00 0.76 C ATOM 375 CG ASP A 26 -12.411 -5.373 3.790 1.00 0.99 C ATOM 376 OD1 ASP A 26 -13.150 -4.799 3.007 1.00 1.56 O ATOM 377 OD2 ASP A 26 -12.800 -6.106 4.683 1.00 1.48 O ATOM 0 H ASP A 26 -8.713 -5.058 2.725 1.00 0.41 H new ATOM 0 HA ASP A 26 -11.227 -4.220 1.669 1.00 0.53 H new ATOM 0 HB2 ASP A 26 -10.417 -6.105 3.400 1.00 0.76 H new ATOM 0 HB3 ASP A 26 -10.483 -4.824 4.594 1.00 0.76 H new ATOM 382 N ILE A 27 -12.055 -2.367 3.309 1.00 0.57 N ATOM 383 CA ILE A 27 -12.324 -1.041 3.906 1.00 0.65 C ATOM 384 C ILE A 27 -13.113 -1.200 5.204 1.00 0.63 C ATOM 385 O ILE A 27 -14.163 -1.810 5.258 1.00 0.79 O ATOM 386 CB ILE A 27 -13.158 -0.242 2.891 1.00 0.94 C ATOM 387 CG1 ILE A 27 -13.477 1.144 3.438 1.00 1.59 C ATOM 388 CG2 ILE A 27 -14.468 -0.981 2.604 1.00 1.36 C ATOM 389 CD1 ILE A 27 -14.063 2.010 2.322 1.00 1.80 C ATOM 0 H ILE A 27 -12.875 -2.876 2.980 1.00 0.57 H new ATOM 0 HA ILE A 27 -11.389 -0.528 4.134 1.00 0.65 H new ATOM 0 HB ILE A 27 -12.581 -0.140 1.972 1.00 0.94 H new ATOM 0 HG12 ILE A 27 -14.185 1.067 4.263 1.00 1.59 H new ATOM 0 HG13 ILE A 27 -12.574 1.607 3.836 1.00 1.59 H new ATOM 0 HG21 ILE A 27 -15.057 -0.412 1.884 1.00 1.36 H new ATOM 0 HG22 ILE A 27 -14.247 -1.967 2.194 1.00 1.36 H new ATOM 0 HG23 ILE A 27 -15.034 -1.091 3.529 1.00 1.36 H new ATOM 0 HD11 ILE A 27 -14.291 3.002 2.713 1.00 1.80 H new ATOM 0 HD12 ILE A 27 -13.340 2.097 1.511 1.00 1.80 H new ATOM 0 HD13 ILE A 27 -14.976 1.549 1.945 1.00 1.80 H new ATOM 401 N ILE A 28 -12.580 -0.633 6.256 1.00 0.57 N ATOM 402 CA ILE A 28 -13.229 -0.699 7.594 1.00 0.58 C ATOM 403 C ILE A 28 -14.434 0.222 7.651 1.00 0.66 C ATOM 404 O ILE A 28 -15.433 -0.065 8.280 1.00 0.71 O ATOM 405 CB ILE A 28 -12.198 -0.248 8.628 1.00 0.57 C ATOM 406 CG1 ILE A 28 -10.986 -1.158 8.513 1.00 0.68 C ATOM 407 CG2 ILE A 28 -12.760 -0.296 10.050 1.00 0.61 C ATOM 408 CD1 ILE A 28 -9.919 -0.735 9.514 1.00 0.77 C ATOM 0 H ILE A 28 -11.701 -0.116 6.240 1.00 0.57 H new ATOM 0 HA ILE A 28 -13.569 -1.715 7.792 1.00 0.58 H new ATOM 0 HB ILE A 28 -11.924 0.788 8.429 1.00 0.57 H new ATOM 0 HG12 ILE A 28 -11.279 -2.192 8.696 1.00 0.68 H new ATOM 0 HG13 ILE A 28 -10.584 -1.115 7.501 1.00 0.68 H new ATOM 0 HG21 ILE A 28 -11.996 0.032 10.755 1.00 0.61 H new ATOM 0 HG22 ILE A 28 -13.626 0.362 10.121 1.00 0.61 H new ATOM 0 HG23 ILE A 28 -13.059 -1.317 10.289 1.00 0.61 H new ATOM 0 HD11 ILE A 28 -9.055 -1.393 9.424 1.00 0.77 H new ATOM 0 HD12 ILE A 28 -9.616 0.292 9.311 1.00 0.77 H new ATOM 0 HD13 ILE A 28 -10.322 -0.801 10.525 1.00 0.77 H new ATOM 420 N ASP A 29 -14.320 1.349 7.026 1.00 1.01 N ATOM 421 CA ASP A 29 -15.417 2.334 7.059 1.00 1.18 C ATOM 422 C ASP A 29 -15.251 3.285 5.886 1.00 1.33 C ATOM 423 O ASP A 29 -14.223 3.329 5.241 1.00 2.10 O ATOM 424 CB ASP A 29 -15.361 3.122 8.370 1.00 1.03 C ATOM 425 CG ASP A 29 -16.655 3.919 8.548 1.00 1.72 C ATOM 426 OD1 ASP A 29 -17.559 3.731 7.750 1.00 2.26 O ATOM 427 OD2 ASP A 29 -16.720 4.703 9.480 1.00 2.40 O ATOM 0 H ASP A 29 -13.502 1.632 6.487 1.00 1.01 H new ATOM 0 HA ASP A 29 -16.378 1.823 6.992 1.00 1.18 H new ATOM 0 HB2 ASP A 29 -15.224 2.441 9.210 1.00 1.03 H new ATOM 0 HB3 ASP A 29 -14.505 3.797 8.364 1.00 1.03 H new ATOM 432 N ASP A 30 -16.249 4.056 5.620 1.00 1.29 N ATOM 433 CA ASP A 30 -16.135 5.017 4.501 1.00 1.39 C ATOM 434 C ASP A 30 -14.919 5.921 4.753 1.00 1.13 C ATOM 435 O ASP A 30 -14.192 6.267 3.841 1.00 1.20 O ATOM 436 CB ASP A 30 -17.399 5.867 4.429 1.00 1.64 C ATOM 437 CG ASP A 30 -18.586 4.991 4.025 1.00 1.90 C ATOM 438 OD1 ASP A 30 -18.352 3.867 3.611 1.00 2.55 O ATOM 439 OD2 ASP A 30 -19.708 5.456 4.139 1.00 2.09 O ATOM 0 H ASP A 30 -17.136 4.067 6.123 1.00 1.29 H new ATOM 0 HA ASP A 30 -16.012 4.482 3.559 1.00 1.39 H new ATOM 0 HB2 ASP A 30 -17.591 6.333 5.395 1.00 1.64 H new ATOM 0 HB3 ASP A 30 -17.267 6.673 3.707 1.00 1.64 H new ATOM 444 N ASN A 31 -14.682 6.296 5.989 1.00 0.91 N ATOM 445 CA ASN A 31 -13.517 7.154 6.323 1.00 0.77 C ATOM 446 C ASN A 31 -12.208 6.354 6.424 1.00 0.58 C ATOM 447 O ASN A 31 -11.152 6.890 6.169 1.00 0.53 O ATOM 448 CB ASN A 31 -13.777 7.852 7.659 1.00 0.86 C ATOM 449 CG ASN A 31 -14.971 8.798 7.517 1.00 1.29 C ATOM 450 OD1 ASN A 31 -15.357 9.144 6.418 1.00 2.10 O ATOM 451 ND2 ASN A 31 -15.574 9.237 8.588 1.00 1.60 N ATOM 0 H ASN A 31 -15.261 6.035 6.788 1.00 0.91 H new ATOM 0 HA ASN A 31 -13.401 7.878 5.517 1.00 0.77 H new ATOM 0 HB2 ASN A 31 -13.976 7.113 8.435 1.00 0.86 H new ATOM 0 HB3 ASN A 31 -12.893 8.409 7.968 1.00 0.86 H new ATOM 0 HD21 ASN A 31 -16.369 9.870 8.502 1.00 1.60 H new ATOM 0 HD22 ASN A 31 -15.250 8.947 9.511 1.00 1.60 H new ATOM 458 N PHE A 32 -12.264 5.098 6.842 1.00 0.56 N ATOM 459 CA PHE A 32 -11.012 4.296 7.023 1.00 0.45 C ATOM 460 C PHE A 32 -10.905 3.145 6.037 1.00 0.45 C ATOM 461 O PHE A 32 -11.877 2.507 5.712 1.00 0.52 O ATOM 462 CB PHE A 32 -11.014 3.720 8.439 1.00 0.48 C ATOM 463 CG PHE A 32 -10.942 4.842 9.448 1.00 0.54 C ATOM 464 CD1 PHE A 32 -9.696 5.369 9.812 1.00 1.09 C ATOM 465 CD2 PHE A 32 -12.112 5.356 10.020 1.00 1.52 C ATOM 466 CE1 PHE A 32 -9.622 6.408 10.748 1.00 1.13 C ATOM 467 CE2 PHE A 32 -12.037 6.396 10.954 1.00 1.60 C ATOM 468 CZ PHE A 32 -10.792 6.922 11.318 1.00 0.80 C ATOM 0 H PHE A 32 -13.127 4.602 7.063 1.00 0.56 H new ATOM 0 HA PHE A 32 -10.164 4.958 6.850 1.00 0.45 H new ATOM 0 HB2 PHE A 32 -11.917 3.131 8.600 1.00 0.48 H new ATOM 0 HB3 PHE A 32 -10.167 3.047 8.569 1.00 0.48 H new ATOM 0 HD1 PHE A 32 -8.793 4.974 9.371 1.00 1.09 H new ATOM 0 HD2 PHE A 32 -13.073 4.950 9.740 1.00 1.52 H new ATOM 0 HE1 PHE A 32 -8.661 6.813 11.030 1.00 1.13 H new ATOM 0 HE2 PHE A 32 -12.940 6.793 11.394 1.00 1.60 H new ATOM 0 HZ PHE A 32 -10.734 7.724 12.039 1.00 0.80 H new ATOM 478 N VAL A 33 -9.702 2.876 5.584 1.00 0.40 N ATOM 479 CA VAL A 33 -9.472 1.761 4.621 1.00 0.42 C ATOM 480 C VAL A 33 -8.378 0.823 5.169 1.00 0.39 C ATOM 481 O VAL A 33 -7.557 1.236 5.972 1.00 0.36 O ATOM 482 CB VAL A 33 -9.049 2.341 3.267 1.00 0.44 C ATOM 483 CG1 VAL A 33 -10.141 3.279 2.747 1.00 0.49 C ATOM 484 CG2 VAL A 33 -7.762 3.142 3.440 1.00 0.42 C ATOM 0 H VAL A 33 -8.862 3.391 5.847 1.00 0.40 H new ATOM 0 HA VAL A 33 -10.391 1.189 4.491 1.00 0.42 H new ATOM 0 HB VAL A 33 -8.892 1.525 2.561 1.00 0.44 H new ATOM 0 HG11 VAL A 33 -9.839 3.691 1.784 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -11.071 2.724 2.628 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.292 4.092 3.458 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -7.459 3.556 2.478 1.00 0.42 H new ATOM 0 HG22 VAL A 33 -7.931 3.954 4.147 1.00 0.42 H new ATOM 0 HG23 VAL A 33 -6.975 2.489 3.818 1.00 0.42 H new ATOM 494 N LEU A 34 -8.347 -0.434 4.740 1.00 0.43 N ATOM 495 CA LEU A 34 -7.291 -1.359 5.256 1.00 0.44 C ATOM 496 C LEU A 34 -6.208 -1.413 4.157 1.00 0.43 C ATOM 497 O LEU A 34 -6.513 -1.703 3.017 1.00 0.47 O ATOM 498 CB LEU A 34 -7.906 -2.788 5.465 1.00 0.55 C ATOM 499 CG LEU A 34 -6.999 -3.655 6.370 1.00 0.62 C ATOM 500 CD1 LEU A 34 -7.865 -4.705 7.066 1.00 0.93 C ATOM 501 CD2 LEU A 34 -5.909 -4.379 5.574 1.00 0.73 C ATOM 0 H LEU A 34 -8.998 -0.841 4.069 1.00 0.43 H new ATOM 0 HA LEU A 34 -6.882 -1.022 6.209 1.00 0.44 H new ATOM 0 HB2 LEU A 34 -8.896 -2.700 5.913 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -8.036 -3.277 4.499 1.00 0.55 H new ATOM 0 HG LEU A 34 -6.512 -2.994 7.087 1.00 0.62 H new ATOM 0 HD11 LEU A 34 -7.239 -5.325 7.708 1.00 0.93 H new ATOM 0 HD12 LEU A 34 -8.625 -4.208 7.669 1.00 0.93 H new ATOM 0 HD13 LEU A 34 -8.349 -5.332 6.317 1.00 0.93 H new ATOM 0 HD21 LEU A 34 -5.298 -4.975 6.252 1.00 0.73 H new ATOM 0 HD22 LEU A 34 -6.372 -5.032 4.834 1.00 0.73 H new ATOM 0 HD23 LEU A 34 -5.280 -3.646 5.068 1.00 0.73 H new ATOM 513 N VAL A 35 -4.953 -1.133 4.473 1.00 0.42 N ATOM 514 CA VAL A 35 -3.881 -1.174 3.410 1.00 0.43 C ATOM 515 C VAL A 35 -2.677 -2.004 3.876 1.00 0.44 C ATOM 516 O VAL A 35 -2.423 -2.129 5.058 1.00 0.46 O ATOM 517 CB VAL A 35 -3.430 0.257 3.070 1.00 0.47 C ATOM 518 CG1 VAL A 35 -4.642 1.068 2.620 1.00 0.46 C ATOM 519 CG2 VAL A 35 -2.811 0.940 4.294 1.00 0.52 C ATOM 0 H VAL A 35 -4.630 -0.882 5.407 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.297 -1.645 2.520 1.00 0.43 H new ATOM 0 HB VAL A 35 -2.683 0.206 2.278 1.00 0.47 H new ATOM 0 HG11 VAL A 35 -4.330 2.084 2.377 1.00 0.46 H new ATOM 0 HG12 VAL A 35 -5.084 0.603 1.738 1.00 0.46 H new ATOM 0 HG13 VAL A 35 -5.379 1.097 3.423 1.00 0.46 H new ATOM 0 HG21 VAL A 35 -2.500 1.950 4.028 1.00 0.52 H new ATOM 0 HG22 VAL A 35 -3.548 0.986 5.096 1.00 0.52 H new ATOM 0 HG23 VAL A 35 -1.945 0.370 4.629 1.00 0.52 H new ATOM 529 N THR A 36 -1.911 -2.544 2.952 1.00 0.45 N ATOM 530 CA THR A 36 -0.703 -3.331 3.352 1.00 0.48 C ATOM 531 C THR A 36 0.463 -3.086 2.375 1.00 0.48 C ATOM 532 O THR A 36 0.266 -2.768 1.219 1.00 0.48 O ATOM 533 CB THR A 36 -1.061 -4.819 3.363 1.00 0.56 C ATOM 534 OG1 THR A 36 -0.065 -5.539 4.072 1.00 0.63 O ATOM 535 CG2 THR A 36 -1.151 -5.336 1.927 1.00 0.60 C ATOM 0 H THR A 36 -2.071 -2.473 1.947 1.00 0.45 H new ATOM 0 HA THR A 36 -0.387 -3.012 4.345 1.00 0.48 H new ATOM 0 HB THR A 36 -2.024 -4.958 3.854 1.00 0.56 H new ATOM 0 HG1 THR A 36 0.450 -4.921 4.631 1.00 0.63 H new ATOM 0 HG21 THR A 36 -1.406 -6.396 1.937 1.00 0.60 H new ATOM 0 HG22 THR A 36 -1.921 -4.783 1.389 1.00 0.60 H new ATOM 0 HG23 THR A 36 -0.191 -5.199 1.430 1.00 0.60 H new ATOM 543 N GLY A 37 1.678 -3.276 2.834 1.00 0.52 N ATOM 544 CA GLY A 37 2.872 -3.111 1.947 1.00 0.55 C ATOM 545 C GLY A 37 3.964 -4.059 2.443 1.00 0.70 C ATOM 546 O GLY A 37 3.888 -4.537 3.558 1.00 0.84 O ATOM 0 H GLY A 37 1.894 -3.541 3.795 1.00 0.52 H new ATOM 0 HA2 GLY A 37 2.612 -3.337 0.913 1.00 0.55 H new ATOM 0 HA3 GLY A 37 3.224 -2.080 1.970 1.00 0.55 H new ATOM 550 N PRO A 38 4.979 -4.342 1.661 1.00 0.74 N ATOM 551 CA PRO A 38 6.054 -5.253 2.126 1.00 0.93 C ATOM 552 C PRO A 38 6.833 -4.604 3.264 1.00 0.99 C ATOM 553 O PRO A 38 7.540 -3.634 3.072 1.00 0.94 O ATOM 554 CB PRO A 38 6.941 -5.444 0.894 1.00 0.94 C ATOM 555 CG PRO A 38 6.676 -4.251 0.037 1.00 0.82 C ATOM 556 CD PRO A 38 5.230 -3.833 0.308 1.00 0.69 C ATOM 0 HA PRO A 38 5.675 -6.200 2.511 1.00 0.93 H new ATOM 0 HB2 PRO A 38 7.993 -5.505 1.171 1.00 0.94 H new ATOM 0 HB3 PRO A 38 6.696 -6.368 0.371 1.00 0.94 H new ATOM 0 HG2 PRO A 38 7.365 -3.441 0.276 1.00 0.82 H new ATOM 0 HG3 PRO A 38 6.819 -4.491 -1.017 1.00 0.82 H new ATOM 0 HD2 PRO A 38 5.108 -2.751 0.256 1.00 0.69 H new ATOM 0 HD3 PRO A 38 4.543 -4.267 -0.419 1.00 0.69 H new ATOM 564 N LYS A 39 6.711 -5.124 4.445 1.00 1.20 N ATOM 565 CA LYS A 39 7.444 -4.528 5.592 1.00 1.37 C ATOM 566 C LYS A 39 8.955 -4.530 5.334 1.00 1.39 C ATOM 567 O LYS A 39 9.668 -3.621 5.706 1.00 1.45 O ATOM 568 CB LYS A 39 7.163 -5.360 6.846 1.00 1.66 C ATOM 569 CG LYS A 39 7.800 -4.697 8.072 1.00 2.17 C ATOM 570 CD LYS A 39 7.569 -5.580 9.299 1.00 2.45 C ATOM 571 CE LYS A 39 8.043 -4.847 10.556 1.00 3.15 C ATOM 572 NZ LYS A 39 7.192 -3.643 10.776 1.00 3.44 N ATOM 0 H LYS A 39 6.136 -5.936 4.669 1.00 1.20 H new ATOM 0 HA LYS A 39 7.108 -3.499 5.724 1.00 1.37 H new ATOM 0 HB2 LYS A 39 6.087 -5.458 6.994 1.00 1.66 H new ATOM 0 HB3 LYS A 39 7.560 -6.367 6.720 1.00 1.66 H new ATOM 0 HG2 LYS A 39 8.868 -4.553 7.909 1.00 2.17 H new ATOM 0 HG3 LYS A 39 7.366 -3.710 8.233 1.00 2.17 H new ATOM 0 HD2 LYS A 39 6.511 -5.828 9.387 1.00 2.45 H new ATOM 0 HD3 LYS A 39 8.108 -6.521 9.189 1.00 2.45 H new ATOM 0 HE2 LYS A 39 7.986 -5.509 11.420 1.00 3.15 H new ATOM 0 HE3 LYS A 39 9.087 -4.553 10.448 1.00 3.15 H new ATOM 0 HZ1 LYS A 39 7.217 -3.379 11.782 1.00 3.44 H new ATOM 0 HZ2 LYS A 39 7.552 -2.854 10.202 1.00 3.44 H new ATOM 0 HZ3 LYS A 39 6.213 -3.855 10.498 1.00 3.44 H new ATOM 586 N ASP A 40 9.439 -5.587 4.747 1.00 1.42 N ATOM 587 CA ASP A 40 10.906 -5.721 4.506 1.00 1.48 C ATOM 588 C ASP A 40 11.472 -4.640 3.580 1.00 1.35 C ATOM 589 O ASP A 40 12.575 -4.173 3.785 1.00 1.42 O ATOM 590 CB ASP A 40 11.177 -7.093 3.888 1.00 1.59 C ATOM 591 CG ASP A 40 10.858 -8.188 4.907 1.00 1.79 C ATOM 592 OD1 ASP A 40 10.686 -7.857 6.069 1.00 2.27 O ATOM 593 OD2 ASP A 40 10.787 -9.339 4.509 1.00 2.01 O ATOM 0 H ASP A 40 8.877 -6.373 4.420 1.00 1.42 H new ATOM 0 HA ASP A 40 11.402 -5.605 5.470 1.00 1.48 H new ATOM 0 HB2 ASP A 40 10.569 -7.226 2.994 1.00 1.59 H new ATOM 0 HB3 ASP A 40 12.220 -7.164 3.578 1.00 1.59 H new ATOM 598 N ILE A 41 10.765 -4.270 2.544 1.00 1.20 N ATOM 599 CA ILE A 41 11.331 -3.257 1.601 1.00 1.13 C ATOM 600 C ILE A 41 10.848 -1.844 1.911 1.00 1.03 C ATOM 601 O ILE A 41 11.579 -1.015 2.414 1.00 1.27 O ATOM 602 CB ILE A 41 10.920 -3.617 0.175 1.00 1.10 C ATOM 603 CG1 ILE A 41 11.273 -5.079 -0.137 1.00 1.29 C ATOM 604 CG2 ILE A 41 11.649 -2.702 -0.808 1.00 1.11 C ATOM 605 CD1 ILE A 41 12.711 -5.401 0.284 1.00 2.05 C ATOM 0 H ILE A 41 9.835 -4.618 2.311 1.00 1.20 H new ATOM 0 HA ILE A 41 12.415 -3.272 1.713 1.00 1.13 H new ATOM 0 HB ILE A 41 9.842 -3.487 0.078 1.00 1.10 H new ATOM 0 HG12 ILE A 41 10.581 -5.742 0.383 1.00 1.29 H new ATOM 0 HG13 ILE A 41 11.153 -5.266 -1.204 1.00 1.29 H new ATOM 0 HG21 ILE A 41 11.357 -2.957 -1.827 1.00 1.11 H new ATOM 0 HG22 ILE A 41 11.385 -1.664 -0.604 1.00 1.11 H new ATOM 0 HG23 ILE A 41 12.725 -2.831 -0.696 1.00 1.11 H new ATOM 0 HD11 ILE A 41 12.934 -6.442 0.051 1.00 2.05 H new ATOM 0 HD12 ILE A 41 13.402 -4.753 -0.255 1.00 2.05 H new ATOM 0 HD13 ILE A 41 12.822 -5.237 1.356 1.00 2.05 H new ATOM 617 N THR A 42 9.636 -1.550 1.538 1.00 0.78 N ATOM 618 CA THR A 42 9.086 -0.186 1.709 1.00 0.75 C ATOM 619 C THR A 42 9.031 0.182 3.192 1.00 0.90 C ATOM 620 O THR A 42 9.240 1.320 3.565 1.00 1.07 O ATOM 621 CB THR A 42 7.690 -0.170 1.090 1.00 0.56 C ATOM 622 OG1 THR A 42 7.768 -0.673 -0.238 1.00 1.03 O ATOM 623 CG2 THR A 42 7.179 1.262 1.029 1.00 1.10 C ATOM 0 H THR A 42 8.992 -2.216 1.112 1.00 0.78 H new ATOM 0 HA THR A 42 9.721 0.550 1.216 1.00 0.75 H new ATOM 0 HB THR A 42 7.019 -0.782 1.693 1.00 0.56 H new ATOM 0 HG1 THR A 42 6.875 -0.668 -0.643 1.00 1.03 H new ATOM 0 HG21 THR A 42 6.183 1.274 0.587 1.00 1.10 H new ATOM 0 HG22 THR A 42 7.134 1.676 2.036 1.00 1.10 H new ATOM 0 HG23 THR A 42 7.853 1.863 0.419 1.00 1.10 H new ATOM 631 N GLY A 43 8.763 -0.769 4.037 1.00 0.93 N ATOM 632 CA GLY A 43 8.706 -0.490 5.498 1.00 1.12 C ATOM 633 C GLY A 43 7.259 -0.335 5.967 1.00 0.97 C ATOM 634 O GLY A 43 7.004 -0.244 7.152 1.00 1.10 O ATOM 0 H GLY A 43 8.579 -1.738 3.777 1.00 0.93 H new ATOM 0 HA2 GLY A 43 9.185 -1.301 6.046 1.00 1.12 H new ATOM 0 HA3 GLY A 43 9.264 0.419 5.721 1.00 1.12 H new ATOM 638 N VAL A 44 6.298 -0.369 5.081 1.00 0.78 N ATOM 639 CA VAL A 44 4.897 -0.295 5.546 1.00 0.70 C ATOM 640 C VAL A 44 4.480 -1.750 5.799 1.00 0.72 C ATOM 641 O VAL A 44 4.628 -2.593 4.937 1.00 0.80 O ATOM 642 CB VAL A 44 4.069 0.350 4.425 1.00 0.61 C ATOM 643 CG1 VAL A 44 4.178 1.883 4.490 1.00 0.79 C ATOM 644 CG2 VAL A 44 4.647 -0.087 3.088 1.00 1.06 C ATOM 0 H VAL A 44 6.427 -0.444 4.072 1.00 0.78 H new ATOM 0 HA VAL A 44 4.756 0.299 6.449 1.00 0.70 H new ATOM 0 HB VAL A 44 3.028 0.046 4.537 1.00 0.61 H new ATOM 0 HG11 VAL A 44 3.585 2.324 3.689 1.00 0.79 H new ATOM 0 HG12 VAL A 44 3.805 2.234 5.452 1.00 0.79 H new ATOM 0 HG13 VAL A 44 5.221 2.179 4.375 1.00 0.79 H new ATOM 0 HG21 VAL A 44 4.071 0.362 2.279 1.00 1.06 H new ATOM 0 HG22 VAL A 44 5.685 0.237 3.017 1.00 1.06 H new ATOM 0 HG23 VAL A 44 4.599 -1.173 3.008 1.00 1.06 H new ATOM 654 N LYS A 45 3.980 -2.070 6.970 1.00 0.80 N ATOM 655 CA LYS A 45 3.592 -3.498 7.225 1.00 0.91 C ATOM 656 C LYS A 45 2.120 -3.704 6.922 1.00 0.78 C ATOM 657 O LYS A 45 1.728 -4.173 5.873 1.00 0.83 O ATOM 658 CB LYS A 45 3.861 -3.824 8.702 1.00 1.14 C ATOM 659 CG LYS A 45 3.594 -5.308 8.975 1.00 1.87 C ATOM 660 CD LYS A 45 3.786 -5.589 10.468 1.00 2.04 C ATOM 661 CE LYS A 45 3.678 -7.092 10.729 1.00 2.84 C ATOM 662 NZ LYS A 45 2.930 -7.320 11.998 1.00 3.49 N ATOM 0 H LYS A 45 3.826 -1.424 7.744 1.00 0.80 H new ATOM 0 HA LYS A 45 4.177 -4.155 6.581 1.00 0.91 H new ATOM 0 HB2 LYS A 45 4.893 -3.581 8.953 1.00 1.14 H new ATOM 0 HB3 LYS A 45 3.225 -3.210 9.339 1.00 1.14 H new ATOM 0 HG2 LYS A 45 2.580 -5.569 8.671 1.00 1.87 H new ATOM 0 HG3 LYS A 45 4.272 -5.926 8.386 1.00 1.87 H new ATOM 0 HD2 LYS A 45 4.759 -5.223 10.794 1.00 2.04 H new ATOM 0 HD3 LYS A 45 3.034 -5.055 11.048 1.00 2.04 H new ATOM 0 HE2 LYS A 45 3.167 -7.581 9.900 1.00 2.84 H new ATOM 0 HE3 LYS A 45 4.672 -7.533 10.795 1.00 2.84 H new ATOM 0 HZ1 LYS A 45 2.855 -8.342 12.178 1.00 3.49 H new ATOM 0 HZ2 LYS A 45 3.435 -6.866 12.785 1.00 3.49 H new ATOM 0 HZ3 LYS A 45 1.977 -6.912 11.917 1.00 3.49 H new ATOM 676 N ARG A 46 1.311 -3.294 7.845 1.00 0.67 N ATOM 677 CA ARG A 46 -0.152 -3.369 7.687 1.00 0.59 C ATOM 678 C ARG A 46 -0.706 -2.235 8.500 1.00 0.54 C ATOM 679 O ARG A 46 -0.424 -2.148 9.678 1.00 0.59 O ATOM 680 CB ARG A 46 -0.663 -4.659 8.307 1.00 0.62 C ATOM 681 CG ARG A 46 -2.161 -4.802 8.045 1.00 0.62 C ATOM 682 CD ARG A 46 -2.651 -6.034 8.790 1.00 0.73 C ATOM 683 NE ARG A 46 -4.059 -6.335 8.420 1.00 1.39 N ATOM 684 CZ ARG A 46 -4.306 -6.957 7.303 1.00 1.89 C ATOM 685 NH1 ARG A 46 -3.321 -7.266 6.506 1.00 2.10 N ATOM 686 NH2 ARG A 46 -5.532 -7.270 6.982 1.00 2.78 N ATOM 0 H ARG A 46 1.617 -2.896 8.733 1.00 0.67 H new ATOM 0 HA ARG A 46 -0.438 -3.327 6.636 1.00 0.59 H new ATOM 0 HB2 ARG A 46 -0.128 -5.511 7.888 1.00 0.62 H new ATOM 0 HB3 ARG A 46 -0.471 -4.659 9.380 1.00 0.62 H new ATOM 0 HG2 ARG A 46 -2.694 -3.914 8.384 1.00 0.62 H new ATOM 0 HG3 ARG A 46 -2.354 -4.901 6.977 1.00 0.62 H new ATOM 0 HD2 ARG A 46 -2.015 -6.887 8.553 1.00 0.73 H new ATOM 0 HD3 ARG A 46 -2.577 -5.870 9.865 1.00 0.73 H new ATOM 0 HE ARG A 46 -4.824 -6.057 9.035 1.00 1.39 H new ATOM 0 HH11 ARG A 46 -2.364 -7.020 6.759 1.00 2.10 H new ATOM 0 HH12 ARG A 46 -3.508 -7.753 5.630 1.00 2.10 H new ATOM 0 HH21 ARG A 46 -6.301 -7.027 7.607 1.00 2.78 H new ATOM 0 HH22 ARG A 46 -5.721 -7.757 6.106 1.00 2.78 H new ATOM 700 N ARG A 47 -1.473 -1.364 7.949 1.00 0.50 N ATOM 701 CA ARG A 47 -1.986 -0.282 8.797 1.00 0.51 C ATOM 702 C ARG A 47 -3.293 0.267 8.243 1.00 0.43 C ATOM 703 O ARG A 47 -3.647 0.051 7.102 1.00 0.40 O ATOM 704 CB ARG A 47 -0.903 0.796 8.932 1.00 0.65 C ATOM 705 CG ARG A 47 -0.603 1.409 7.564 1.00 0.69 C ATOM 706 CD ARG A 47 0.640 2.294 7.659 1.00 0.88 C ATOM 707 NE ARG A 47 0.859 2.985 6.356 1.00 1.51 N ATOM 708 CZ ARG A 47 0.224 4.094 6.083 1.00 2.07 C ATOM 709 NH1 ARG A 47 -0.611 4.601 6.948 1.00 2.26 N ATOM 710 NH2 ARG A 47 0.426 4.693 4.941 1.00 3.10 N ATOM 0 H ARG A 47 -1.763 -1.351 6.971 1.00 0.50 H new ATOM 0 HA ARG A 47 -2.216 -0.662 9.792 1.00 0.51 H new ATOM 0 HB2 ARG A 47 -1.234 1.572 9.623 1.00 0.65 H new ATOM 0 HB3 ARG A 47 0.004 0.361 9.352 1.00 0.65 H new ATOM 0 HG2 ARG A 47 -0.445 0.621 6.828 1.00 0.69 H new ATOM 0 HG3 ARG A 47 -1.455 1.997 7.223 1.00 0.69 H new ATOM 0 HD2 ARG A 47 0.517 3.028 8.456 1.00 0.88 H new ATOM 0 HD3 ARG A 47 1.511 1.690 7.913 1.00 0.88 H new ATOM 0 HE ARG A 47 1.507 2.590 5.675 1.00 1.51 H new ATOM 0 HH11 ARG A 47 -0.769 4.132 7.840 1.00 2.26 H new ATOM 0 HH12 ARG A 47 -1.105 5.467 6.733 1.00 2.26 H new ATOM 0 HH21 ARG A 47 1.078 4.295 4.265 1.00 3.10 H new ATOM 0 HH22 ARG A 47 -0.068 5.559 4.725 1.00 3.10 H new ATOM 724 N ARG A 48 -4.008 0.974 9.060 1.00 0.46 N ATOM 725 CA ARG A 48 -5.302 1.568 8.638 1.00 0.40 C ATOM 726 C ARG A 48 -5.058 3.028 8.265 1.00 0.40 C ATOM 727 O ARG A 48 -4.344 3.711 8.972 1.00 0.49 O ATOM 728 CB ARG A 48 -6.222 1.537 9.852 1.00 0.44 C ATOM 729 CG ARG A 48 -7.638 1.954 9.481 1.00 1.30 C ATOM 730 CD ARG A 48 -8.439 2.065 10.784 1.00 1.32 C ATOM 731 NE ARG A 48 -8.453 0.746 11.476 1.00 1.71 N ATOM 732 CZ ARG A 48 -9.214 0.568 12.519 1.00 2.17 C ATOM 733 NH1 ARG A 48 -9.970 1.541 12.945 1.00 2.17 N ATOM 734 NH2 ARG A 48 -9.220 -0.581 13.136 1.00 3.00 N ATOM 0 H ARG A 48 -3.746 1.171 10.026 1.00 0.46 H new ATOM 0 HA ARG A 48 -5.733 1.028 7.795 1.00 0.40 H new ATOM 0 HB2 ARG A 48 -6.235 0.533 10.276 1.00 0.44 H new ATOM 0 HB3 ARG A 48 -5.834 2.203 10.623 1.00 0.44 H new ATOM 0 HG2 ARG A 48 -7.631 2.907 8.952 1.00 1.30 H new ATOM 0 HG3 ARG A 48 -8.091 1.222 8.813 1.00 1.30 H new ATOM 0 HD2 ARG A 48 -7.996 2.822 11.431 1.00 1.32 H new ATOM 0 HD3 ARG A 48 -9.459 2.385 10.570 1.00 1.32 H new ATOM 0 HE ARG A 48 -7.868 -0.017 11.134 1.00 1.71 H new ATOM 0 HH11 ARG A 48 -9.965 2.439 12.462 1.00 2.17 H new ATOM 0 HH12 ARG A 48 -10.566 1.404 13.761 1.00 2.17 H new ATOM 0 HH21 ARG A 48 -8.628 -1.342 12.802 1.00 3.00 H new ATOM 0 HH22 ARG A 48 -9.816 -0.719 13.952 1.00 3.00 H new ATOM 748 N VAL A 49 -5.650 3.543 7.210 1.00 0.35 N ATOM 749 CA VAL A 49 -5.430 4.992 6.897 1.00 0.41 C ATOM 750 C VAL A 49 -6.775 5.674 6.620 1.00 0.38 C ATOM 751 O VAL A 49 -7.654 5.119 5.992 1.00 0.37 O ATOM 752 CB VAL A 49 -4.479 5.138 5.696 1.00 0.50 C ATOM 753 CG1 VAL A 49 -5.103 4.550 4.428 1.00 1.63 C ATOM 754 CG2 VAL A 49 -4.178 6.622 5.472 1.00 1.04 C ATOM 0 H VAL A 49 -6.260 3.037 6.568 1.00 0.35 H new ATOM 0 HA VAL A 49 -4.967 5.479 7.755 1.00 0.41 H new ATOM 0 HB VAL A 49 -3.559 4.594 5.912 1.00 0.50 H new ATOM 0 HG11 VAL A 49 -4.411 4.666 3.594 1.00 1.63 H new ATOM 0 HG12 VAL A 49 -5.311 3.491 4.582 1.00 1.63 H new ATOM 0 HG13 VAL A 49 -6.032 5.073 4.203 1.00 1.63 H new ATOM 0 HG21 VAL A 49 -3.504 6.732 4.622 1.00 1.04 H new ATOM 0 HG22 VAL A 49 -5.107 7.155 5.270 1.00 1.04 H new ATOM 0 HG23 VAL A 49 -3.708 7.037 6.364 1.00 1.04 H new ATOM 764 N ASN A 50 -6.928 6.878 7.101 1.00 0.39 N ATOM 765 CA ASN A 50 -8.198 7.638 6.903 1.00 0.42 C ATOM 766 C ASN A 50 -8.130 8.478 5.617 1.00 0.42 C ATOM 767 O ASN A 50 -7.080 8.650 5.032 1.00 0.39 O ATOM 768 CB ASN A 50 -8.409 8.542 8.119 1.00 0.48 C ATOM 769 CG ASN A 50 -7.398 9.688 8.092 1.00 1.38 C ATOM 770 OD1 ASN A 50 -7.514 10.661 8.952 1.00 2.28 O flip ATOM 771 ND2 ASN A 50 -6.476 9.682 7.300 1.00 1.90 N flip ATOM 0 H ASN A 50 -6.214 7.377 7.632 1.00 0.39 H new ATOM 0 HA ASN A 50 -9.033 6.945 6.803 1.00 0.42 H new ATOM 0 HB2 ASN A 50 -9.424 8.940 8.117 1.00 0.48 H new ATOM 0 HB3 ASN A 50 -8.295 7.965 9.037 1.00 0.48 H new ATOM 0 HD21 ASN A 50 -6.386 8.920 6.628 1.00 1.90 H new ATOM 0 HD22 ASN A 50 -5.792 10.439 7.308 1.00 1.90 H new ATOM 778 N ILE A 51 -9.246 9.009 5.181 1.00 0.51 N ATOM 779 CA ILE A 51 -9.284 9.851 3.941 1.00 0.56 C ATOM 780 C ILE A 51 -8.347 11.056 4.080 1.00 0.57 C ATOM 781 O ILE A 51 -7.897 11.620 3.102 1.00 0.59 O ATOM 782 CB ILE A 51 -10.712 10.348 3.709 1.00 0.73 C ATOM 783 CG1 ILE A 51 -11.636 9.142 3.514 1.00 0.81 C ATOM 784 CG2 ILE A 51 -10.750 11.228 2.454 1.00 0.81 C ATOM 785 CD1 ILE A 51 -13.091 9.610 3.445 1.00 1.41 C ATOM 0 H ILE A 51 -10.150 8.893 5.640 1.00 0.51 H new ATOM 0 HA ILE A 51 -8.957 9.245 3.096 1.00 0.56 H new ATOM 0 HB ILE A 51 -11.043 10.931 4.569 1.00 0.73 H new ATOM 0 HG12 ILE A 51 -11.371 8.613 2.599 1.00 0.81 H new ATOM 0 HG13 ILE A 51 -11.509 8.438 4.337 1.00 0.81 H new ATOM 0 HG21 ILE A 51 -11.768 11.582 2.289 1.00 0.81 H new ATOM 0 HG22 ILE A 51 -10.086 12.082 2.588 1.00 0.81 H new ATOM 0 HG23 ILE A 51 -10.424 10.646 1.592 1.00 0.81 H new ATOM 0 HD11 ILE A 51 -13.744 8.748 3.306 1.00 1.41 H new ATOM 0 HD12 ILE A 51 -13.354 10.119 4.372 1.00 1.41 H new ATOM 0 HD13 ILE A 51 -13.213 10.296 2.607 1.00 1.41 H new ATOM 797 N LEU A 52 -8.112 11.498 5.280 1.00 0.61 N ATOM 798 CA LEU A 52 -7.276 12.719 5.475 1.00 0.70 C ATOM 799 C LEU A 52 -5.950 12.562 4.722 1.00 0.64 C ATOM 800 O LEU A 52 -5.462 13.519 4.155 1.00 0.75 O ATOM 801 CB LEU A 52 -7.004 12.922 6.969 1.00 0.76 C ATOM 802 CG LEU A 52 -8.332 13.025 7.735 1.00 0.85 C ATOM 803 CD1 LEU A 52 -8.049 13.300 9.214 1.00 1.25 C ATOM 804 CD2 LEU A 52 -9.167 14.178 7.172 1.00 1.08 C ATOM 0 H LEU A 52 -8.461 11.069 6.137 1.00 0.61 H new ATOM 0 HA LEU A 52 -7.808 13.587 5.086 1.00 0.70 H new ATOM 0 HB2 LEU A 52 -6.415 12.091 7.356 1.00 0.76 H new ATOM 0 HB3 LEU A 52 -6.416 13.827 7.120 1.00 0.76 H new ATOM 0 HG LEU A 52 -8.877 12.088 7.627 1.00 0.85 H new ATOM 0 HD11 LEU A 52 -8.991 13.373 9.757 1.00 1.25 H new ATOM 0 HD12 LEU A 52 -7.454 12.486 9.628 1.00 1.25 H new ATOM 0 HD13 LEU A 52 -7.500 14.237 9.311 1.00 1.25 H new ATOM 0 HD21 LEU A 52 -10.108 14.247 7.719 1.00 1.08 H new ATOM 0 HD22 LEU A 52 -8.616 15.112 7.279 1.00 1.08 H new ATOM 0 HD23 LEU A 52 -9.373 13.997 6.117 1.00 1.08 H new ATOM 816 N HIS A 53 -5.409 11.373 4.614 1.00 0.52 N ATOM 817 CA HIS A 53 -4.179 11.206 3.776 1.00 0.55 C ATOM 818 C HIS A 53 -4.387 9.966 2.911 1.00 0.45 C ATOM 819 O HIS A 53 -4.023 8.866 3.279 1.00 0.50 O ATOM 820 CB HIS A 53 -2.963 11.010 4.681 1.00 0.70 C ATOM 821 CG HIS A 53 -2.739 12.252 5.498 1.00 0.84 C ATOM 822 ND1 HIS A 53 -2.007 13.390 5.258 1.00 1.50 N flip ATOM 823 CD2 HIS A 53 -3.301 12.424 6.756 1.00 1.35 C flip ATOM 824 CE1 HIS A 53 -2.112 14.248 6.346 1.00 1.35 C flip ATOM 825 NE2 HIS A 53 -2.901 13.623 7.220 1.00 1.20 N flip ATOM 0 H HIS A 53 -5.757 10.525 5.061 1.00 0.52 H new ATOM 0 HA HIS A 53 -4.007 12.086 3.156 1.00 0.55 H new ATOM 0 HB2 HIS A 53 -3.119 10.154 5.337 1.00 0.70 H new ATOM 0 HB3 HIS A 53 -2.080 10.794 4.080 1.00 0.70 H new ATOM 0 HD2 HIS A 53 -3.943 11.723 7.269 1.00 1.35 H new ATOM 0 HE1 HIS A 53 -1.651 15.218 6.460 1.00 1.35 H new ATOM 0 HE2 HIS A 53 -3.168 14.005 8.127 1.00 1.20 H new ATOM 834 N LEU A 54 -4.977 10.149 1.759 1.00 0.42 N ATOM 835 CA LEU A 54 -5.235 9.021 0.831 1.00 0.43 C ATOM 836 C LEU A 54 -4.613 9.325 -0.534 1.00 0.36 C ATOM 837 O LEU A 54 -4.873 10.368 -1.102 1.00 0.39 O ATOM 838 CB LEU A 54 -6.746 8.869 0.691 1.00 0.59 C ATOM 839 CG LEU A 54 -7.080 7.620 -0.122 1.00 0.92 C ATOM 840 CD1 LEU A 54 -6.774 6.362 0.697 1.00 1.56 C ATOM 841 CD2 LEU A 54 -8.566 7.655 -0.472 1.00 1.29 C ATOM 0 H LEU A 54 -5.296 11.056 1.420 1.00 0.42 H new ATOM 0 HA LEU A 54 -4.795 8.100 1.215 1.00 0.43 H new ATOM 0 HB2 LEU A 54 -7.205 8.802 1.678 1.00 0.59 H new ATOM 0 HB3 LEU A 54 -7.163 9.750 0.204 1.00 0.59 H new ATOM 0 HG LEU A 54 -6.478 7.599 -1.031 1.00 0.92 H new ATOM 0 HD11 LEU A 54 -7.016 5.477 0.108 1.00 1.56 H new ATOM 0 HD12 LEU A 54 -5.716 6.346 0.958 1.00 1.56 H new ATOM 0 HD13 LEU A 54 -7.373 6.366 1.608 1.00 1.56 H new ATOM 0 HD21 LEU A 54 -8.824 6.770 -1.053 1.00 1.29 H new ATOM 0 HD22 LEU A 54 -9.155 7.671 0.445 1.00 1.29 H new ATOM 0 HD23 LEU A 54 -8.781 8.549 -1.057 1.00 1.29 H new ATOM 853 N GLU A 55 -3.887 8.411 -1.122 1.00 0.39 N ATOM 854 CA GLU A 55 -3.370 8.633 -2.503 1.00 0.38 C ATOM 855 C GLU A 55 -3.668 7.334 -3.266 1.00 0.43 C ATOM 856 O GLU A 55 -2.872 6.414 -3.262 1.00 0.50 O ATOM 857 CB GLU A 55 -1.869 8.918 -2.496 1.00 0.44 C ATOM 858 CG GLU A 55 -1.561 10.011 -3.523 1.00 0.85 C ATOM 859 CD GLU A 55 -2.126 9.605 -4.886 1.00 1.55 C ATOM 860 OE1 GLU A 55 -1.614 8.656 -5.457 1.00 2.20 O ATOM 861 OE2 GLU A 55 -3.057 10.251 -5.334 1.00 2.28 O ATOM 0 H GLU A 55 -3.629 7.517 -0.703 1.00 0.39 H new ATOM 0 HA GLU A 55 -3.843 9.498 -2.967 1.00 0.38 H new ATOM 0 HB2 GLU A 55 -1.551 9.235 -1.503 1.00 0.44 H new ATOM 0 HB3 GLU A 55 -1.313 8.011 -2.734 1.00 0.44 H new ATOM 0 HG2 GLU A 55 -1.997 10.958 -3.204 1.00 0.85 H new ATOM 0 HG3 GLU A 55 -0.484 10.164 -3.595 1.00 0.85 H new ATOM 868 N PRO A 56 -4.817 7.217 -3.874 1.00 0.46 N ATOM 869 CA PRO A 56 -5.206 5.979 -4.584 1.00 0.52 C ATOM 870 C PRO A 56 -4.778 5.980 -6.042 1.00 0.50 C ATOM 871 O PRO A 56 -4.606 7.023 -6.643 1.00 0.53 O ATOM 872 CB PRO A 56 -6.728 5.990 -4.483 1.00 0.66 C ATOM 873 CG PRO A 56 -7.118 7.437 -4.408 1.00 0.69 C ATOM 874 CD PRO A 56 -5.883 8.230 -3.965 1.00 0.56 C ATOM 0 HA PRO A 56 -4.733 5.097 -4.152 1.00 0.52 H new ATOM 0 HB2 PRO A 56 -7.182 5.506 -5.348 1.00 0.66 H new ATOM 0 HB3 PRO A 56 -7.066 5.447 -3.600 1.00 0.66 H new ATOM 0 HG2 PRO A 56 -7.471 7.789 -5.377 1.00 0.69 H new ATOM 0 HG3 PRO A 56 -7.936 7.577 -3.701 1.00 0.69 H new ATOM 0 HD2 PRO A 56 -5.631 9.010 -4.684 1.00 0.56 H new ATOM 0 HD3 PRO A 56 -6.048 8.722 -3.006 1.00 0.56 H new ATOM 882 N THR A 57 -4.635 4.819 -6.623 1.00 0.56 N ATOM 883 CA THR A 57 -4.255 4.727 -8.055 1.00 0.63 C ATOM 884 C THR A 57 -5.447 4.173 -8.847 1.00 0.66 C ATOM 885 O THR A 57 -6.424 3.710 -8.295 1.00 0.71 O ATOM 886 CB THR A 57 -3.035 3.816 -8.230 1.00 0.78 C ATOM 887 OG1 THR A 57 -3.382 2.483 -7.881 1.00 0.88 O ATOM 888 CG2 THR A 57 -1.872 4.314 -7.366 1.00 0.78 C ATOM 0 H THR A 57 -4.768 3.921 -6.157 1.00 0.56 H new ATOM 0 HA THR A 57 -3.992 5.718 -8.426 1.00 0.63 H new ATOM 0 HB THR A 57 -2.718 3.837 -9.273 1.00 0.78 H new ATOM 0 HG1 THR A 57 -3.599 2.441 -6.926 1.00 0.88 H new ATOM 0 HG21 THR A 57 -1.012 3.658 -7.500 1.00 0.78 H new ATOM 0 HG22 THR A 57 -1.605 5.328 -7.665 1.00 0.78 H new ATOM 0 HG23 THR A 57 -2.170 4.311 -6.318 1.00 0.78 H new ATOM 896 N ASP A 58 -5.361 4.254 -10.135 1.00 0.71 N ATOM 897 CA ASP A 58 -6.466 3.780 -11.020 1.00 0.78 C ATOM 898 C ASP A 58 -6.358 2.271 -11.200 1.00 0.87 C ATOM 899 O ASP A 58 -6.899 1.696 -12.124 1.00 1.59 O ATOM 900 CB ASP A 58 -6.390 4.477 -12.370 1.00 0.88 C ATOM 901 CG ASP A 58 -6.683 5.967 -12.189 1.00 1.77 C ATOM 902 OD1 ASP A 58 -7.152 6.332 -11.123 1.00 2.57 O ATOM 903 OD2 ASP A 58 -6.436 6.718 -13.117 1.00 2.16 O ATOM 0 H ASP A 58 -4.556 4.636 -10.631 1.00 0.71 H new ATOM 0 HA ASP A 58 -7.425 4.019 -10.560 1.00 0.78 H new ATOM 0 HB2 ASP A 58 -5.401 4.340 -12.807 1.00 0.88 H new ATOM 0 HB3 ASP A 58 -7.108 4.035 -13.061 1.00 0.88 H new ATOM 908 N LYS A 59 -5.638 1.635 -10.326 1.00 0.69 N ATOM 909 CA LYS A 59 -5.433 0.179 -10.403 1.00 0.63 C ATOM 910 C LYS A 59 -6.479 -0.596 -9.615 1.00 0.92 C ATOM 911 O LYS A 59 -6.891 -0.204 -8.562 1.00 1.56 O ATOM 912 CB LYS A 59 -4.080 -0.090 -9.754 1.00 0.62 C ATOM 913 CG LYS A 59 -2.974 0.499 -10.631 1.00 1.23 C ATOM 914 CD LYS A 59 -1.603 0.151 -10.052 1.00 1.26 C ATOM 915 CE LYS A 59 -0.512 0.826 -10.883 1.00 2.14 C ATOM 916 NZ LYS A 59 0.668 -0.077 -10.987 1.00 2.90 N ATOM 0 H LYS A 59 -5.171 2.085 -9.539 1.00 0.69 H new ATOM 0 HA LYS A 59 -5.497 -0.138 -11.444 1.00 0.63 H new ATOM 0 HB2 LYS A 59 -4.046 0.354 -8.759 1.00 0.62 H new ATOM 0 HB3 LYS A 59 -3.930 -1.162 -9.630 1.00 0.62 H new ATOM 0 HG2 LYS A 59 -3.058 0.110 -11.646 1.00 1.23 H new ATOM 0 HG3 LYS A 59 -3.087 1.581 -10.694 1.00 1.23 H new ATOM 0 HD2 LYS A 59 -1.541 0.480 -9.015 1.00 1.26 H new ATOM 0 HD3 LYS A 59 -1.460 -0.930 -10.053 1.00 1.26 H new ATOM 0 HE2 LYS A 59 -0.891 1.061 -11.877 1.00 2.14 H new ATOM 0 HE3 LYS A 59 -0.221 1.770 -10.422 1.00 2.14 H new ATOM 0 HZ1 LYS A 59 1.409 0.384 -11.553 1.00 2.90 H new ATOM 0 HZ2 LYS A 59 1.035 -0.280 -10.035 1.00 2.90 H new ATOM 0 HZ3 LYS A 59 0.385 -0.966 -11.446 1.00 2.90 H new ATOM 930 N LYS A 60 -6.922 -1.685 -10.153 1.00 0.91 N ATOM 931 CA LYS A 60 -7.935 -2.515 -9.432 1.00 1.21 C ATOM 932 C LYS A 60 -7.561 -3.993 -9.551 1.00 0.55 C ATOM 933 O LYS A 60 -7.439 -4.529 -10.634 1.00 1.43 O ATOM 934 CB LYS A 60 -9.305 -2.264 -10.053 1.00 2.34 C ATOM 935 CG LYS A 60 -10.378 -3.011 -9.262 1.00 2.82 C ATOM 936 CD LYS A 60 -11.739 -2.822 -9.937 1.00 3.96 C ATOM 937 CE LYS A 60 -12.837 -3.442 -9.067 1.00 4.45 C ATOM 938 NZ LYS A 60 -14.162 -2.892 -9.468 1.00 5.03 N ATOM 0 H LYS A 60 -6.632 -2.045 -11.062 1.00 0.91 H new ATOM 0 HA LYS A 60 -7.961 -2.246 -8.376 1.00 1.21 H new ATOM 0 HB2 LYS A 60 -9.522 -1.196 -10.058 1.00 2.34 H new ATOM 0 HB3 LYS A 60 -9.310 -2.595 -11.092 1.00 2.34 H new ATOM 0 HG2 LYS A 60 -10.132 -4.071 -9.208 1.00 2.82 H new ATOM 0 HG3 LYS A 60 -10.414 -2.639 -8.238 1.00 2.82 H new ATOM 0 HD2 LYS A 60 -11.937 -1.761 -10.088 1.00 3.96 H new ATOM 0 HD3 LYS A 60 -11.735 -3.289 -10.922 1.00 3.96 H new ATOM 0 HE2 LYS A 60 -12.834 -4.526 -9.177 1.00 4.45 H new ATOM 0 HE3 LYS A 60 -12.646 -3.228 -8.015 1.00 4.45 H new ATOM 0 HZ1 LYS A 60 -14.906 -3.314 -8.877 1.00 5.03 H new ATOM 0 HZ2 LYS A 60 -14.162 -1.860 -9.341 1.00 5.03 H new ATOM 0 HZ3 LYS A 60 -14.344 -3.118 -10.467 1.00 5.03 H new ATOM 952 N ILE A 61 -7.391 -4.656 -8.436 1.00 0.90 N ATOM 953 CA ILE A 61 -7.037 -6.104 -8.415 1.00 1.43 C ATOM 954 C ILE A 61 -8.137 -6.865 -7.665 1.00 0.99 C ATOM 955 O ILE A 61 -8.716 -6.351 -6.730 1.00 1.45 O ATOM 956 CB ILE A 61 -5.705 -6.297 -7.711 1.00 2.80 C ATOM 957 CG1 ILE A 61 -4.627 -5.473 -8.421 1.00 3.66 C ATOM 958 CG2 ILE A 61 -5.316 -7.776 -7.738 1.00 3.54 C ATOM 959 CD1 ILE A 61 -3.312 -5.571 -7.644 1.00 4.81 C ATOM 0 H ILE A 61 -7.487 -4.238 -7.511 1.00 0.90 H new ATOM 0 HA ILE A 61 -6.953 -6.482 -9.434 1.00 1.43 H new ATOM 0 HB ILE A 61 -5.794 -5.966 -6.676 1.00 2.80 H new ATOM 0 HG12 ILE A 61 -4.488 -5.837 -9.439 1.00 3.66 H new ATOM 0 HG13 ILE A 61 -4.941 -4.432 -8.495 1.00 3.66 H new ATOM 0 HG21 ILE A 61 -4.360 -7.910 -7.232 1.00 3.54 H new ATOM 0 HG22 ILE A 61 -6.081 -8.363 -7.230 1.00 3.54 H new ATOM 0 HG23 ILE A 61 -5.229 -8.111 -8.772 1.00 3.54 H new ATOM 0 HD11 ILE A 61 -2.546 -4.984 -8.150 1.00 4.81 H new ATOM 0 HD12 ILE A 61 -3.456 -5.186 -6.635 1.00 4.81 H new ATOM 0 HD13 ILE A 61 -2.996 -6.613 -7.593 1.00 4.81 H new ATOM 971 N ASP A 62 -8.450 -8.067 -8.050 1.00 1.05 N ATOM 972 CA ASP A 62 -9.531 -8.803 -7.323 1.00 0.82 C ATOM 973 C ASP A 62 -8.960 -9.526 -6.081 1.00 0.92 C ATOM 974 O ASP A 62 -7.996 -10.262 -6.131 1.00 1.22 O ATOM 975 CB ASP A 62 -10.215 -9.795 -8.281 1.00 1.33 C ATOM 976 CG ASP A 62 -9.226 -10.852 -8.792 1.00 1.56 C ATOM 977 OD1 ASP A 62 -8.129 -10.927 -8.273 1.00 2.06 O ATOM 978 OD2 ASP A 62 -9.581 -11.552 -9.726 1.00 2.14 O ATOM 0 H ASP A 62 -8.016 -8.570 -8.823 1.00 1.05 H new ATOM 0 HA ASP A 62 -10.276 -8.089 -6.972 1.00 0.82 H new ATOM 0 HB2 ASP A 62 -11.042 -10.286 -7.769 1.00 1.33 H new ATOM 0 HB3 ASP A 62 -10.640 -9.253 -9.126 1.00 1.33 H new ATOM 983 N ILE A 63 -9.570 -9.254 -4.951 1.00 0.75 N ATOM 984 CA ILE A 63 -9.121 -9.845 -3.643 1.00 0.87 C ATOM 985 C ILE A 63 -10.293 -10.525 -2.909 1.00 0.70 C ATOM 986 O ILE A 63 -11.448 -10.308 -3.215 1.00 0.66 O ATOM 987 CB ILE A 63 -8.499 -8.768 -2.734 1.00 1.06 C ATOM 988 CG1 ILE A 63 -9.525 -7.709 -2.274 1.00 0.94 C ATOM 989 CG2 ILE A 63 -7.379 -8.061 -3.500 1.00 1.72 C ATOM 990 CD1 ILE A 63 -10.477 -7.304 -3.396 1.00 1.64 C ATOM 0 H ILE A 63 -10.377 -8.635 -4.876 1.00 0.75 H new ATOM 0 HA ILE A 63 -8.365 -10.596 -3.870 1.00 0.87 H new ATOM 0 HB ILE A 63 -8.122 -9.272 -1.844 1.00 1.06 H new ATOM 0 HG12 ILE A 63 -10.100 -8.103 -1.436 1.00 0.94 H new ATOM 0 HG13 ILE A 63 -8.997 -6.827 -1.912 1.00 0.94 H new ATOM 0 HG21 ILE A 63 -6.931 -7.296 -2.866 1.00 1.72 H new ATOM 0 HG22 ILE A 63 -6.618 -8.788 -3.785 1.00 1.72 H new ATOM 0 HG23 ILE A 63 -7.789 -7.595 -4.396 1.00 1.72 H new ATOM 0 HD11 ILE A 63 -11.180 -6.558 -3.025 1.00 1.64 H new ATOM 0 HD12 ILE A 63 -9.906 -6.885 -4.224 1.00 1.64 H new ATOM 0 HD13 ILE A 63 -11.026 -8.180 -3.741 1.00 1.64 H new ATOM 1002 N GLN A 64 -10.002 -11.348 -1.933 1.00 0.71 N ATOM 1003 CA GLN A 64 -11.097 -12.023 -1.170 1.00 0.66 C ATOM 1004 C GLN A 64 -11.602 -11.090 -0.052 1.00 0.61 C ATOM 1005 O GLN A 64 -12.490 -11.439 0.697 1.00 1.32 O ATOM 1006 CB GLN A 64 -10.564 -13.317 -0.550 1.00 0.77 C ATOM 1007 CG GLN A 64 -9.971 -14.210 -1.644 1.00 1.23 C ATOM 1008 CD GLN A 64 -11.049 -14.543 -2.679 1.00 1.77 C ATOM 1009 OE1 GLN A 64 -12.136 -14.958 -2.330 1.00 2.17 O ATOM 1010 NE2 GLN A 64 -10.791 -14.377 -3.947 1.00 2.59 N ATOM 0 H GLN A 64 -9.056 -11.582 -1.632 1.00 0.71 H new ATOM 0 HA GLN A 64 -11.919 -12.254 -1.847 1.00 0.66 H new ATOM 0 HB2 GLN A 64 -9.804 -13.087 0.197 1.00 0.77 H new ATOM 0 HB3 GLN A 64 -11.368 -13.842 -0.035 1.00 0.77 H new ATOM 0 HG2 GLN A 64 -9.134 -13.704 -2.126 1.00 1.23 H new ATOM 0 HG3 GLN A 64 -9.579 -15.127 -1.205 1.00 1.23 H new ATOM 0 HE21 GLN A 64 -9.878 -14.029 -4.240 1.00 2.59 H new ATOM 0 HE22 GLN A 64 -11.502 -14.596 -4.645 1.00 2.59 H new ATOM 1019 N LYS A 65 -11.052 -9.904 0.038 1.00 0.80 N ATOM 1020 CA LYS A 65 -11.491 -8.914 1.084 1.00 0.78 C ATOM 1021 C LYS A 65 -11.455 -9.511 2.491 1.00 0.69 C ATOM 1022 O LYS A 65 -12.082 -10.511 2.773 1.00 0.82 O ATOM 1023 CB LYS A 65 -12.908 -8.427 0.788 1.00 1.04 C ATOM 1024 CG LYS A 65 -12.906 -7.640 -0.516 1.00 1.72 C ATOM 1025 CD LYS A 65 -14.291 -7.046 -0.753 1.00 1.99 C ATOM 1026 CE LYS A 65 -14.299 -6.348 -2.108 1.00 2.85 C ATOM 1027 NZ LYS A 65 -15.641 -5.750 -2.359 1.00 3.48 N ATOM 0 H LYS A 65 -10.308 -9.571 -0.575 1.00 0.80 H new ATOM 0 HA LYS A 65 -10.790 -8.080 1.048 1.00 0.78 H new ATOM 0 HB2 LYS A 65 -13.589 -9.275 0.714 1.00 1.04 H new ATOM 0 HB3 LYS A 65 -13.268 -7.800 1.604 1.00 1.04 H new ATOM 0 HG2 LYS A 65 -12.160 -6.846 -0.473 1.00 1.72 H new ATOM 0 HG3 LYS A 65 -12.631 -8.291 -1.346 1.00 1.72 H new ATOM 0 HD2 LYS A 65 -15.048 -7.830 -0.728 1.00 1.99 H new ATOM 0 HD3 LYS A 65 -14.539 -6.338 0.038 1.00 1.99 H new ATOM 0 HE2 LYS A 65 -13.534 -5.572 -2.132 1.00 2.85 H new ATOM 0 HE3 LYS A 65 -14.055 -7.060 -2.896 1.00 2.85 H new ATOM 0 HZ1 LYS A 65 -15.642 -5.275 -3.284 1.00 3.48 H new ATOM 0 HZ2 LYS A 65 -16.362 -6.500 -2.354 1.00 3.48 H new ATOM 0 HZ3 LYS A 65 -15.857 -5.057 -1.614 1.00 3.48 H new ATOM 1041 N GLY A 66 -10.750 -8.882 3.397 1.00 0.59 N ATOM 1042 CA GLY A 66 -10.710 -9.406 4.794 1.00 0.60 C ATOM 1043 C GLY A 66 -9.649 -10.499 4.917 1.00 0.55 C ATOM 1044 O GLY A 66 -9.654 -11.273 5.853 1.00 0.64 O ATOM 0 H GLY A 66 -10.205 -8.036 3.231 1.00 0.59 H new ATOM 0 HA2 GLY A 66 -10.490 -8.595 5.488 1.00 0.60 H new ATOM 0 HA3 GLY A 66 -11.687 -9.804 5.069 1.00 0.60 H new ATOM 1048 N ALA A 67 -8.769 -10.606 3.962 1.00 0.50 N ATOM 1049 CA ALA A 67 -7.747 -11.697 4.021 1.00 0.56 C ATOM 1050 C ALA A 67 -6.968 -11.680 5.348 1.00 0.56 C ATOM 1051 O ALA A 67 -6.696 -10.640 5.915 1.00 0.54 O ATOM 1052 CB ALA A 67 -6.769 -11.530 2.860 1.00 0.62 C ATOM 0 H ALA A 67 -8.710 -9.993 3.149 1.00 0.50 H new ATOM 0 HA ALA A 67 -8.268 -12.652 3.951 1.00 0.56 H new ATOM 0 HB1 ALA A 67 -6.021 -12.322 2.897 1.00 0.62 H new ATOM 0 HB2 ALA A 67 -7.311 -11.587 1.916 1.00 0.62 H new ATOM 0 HB3 ALA A 67 -6.275 -10.561 2.937 1.00 0.62 H new ATOM 1058 N SER A 68 -6.585 -12.847 5.820 1.00 0.63 N ATOM 1059 CA SER A 68 -5.793 -12.954 7.085 1.00 0.65 C ATOM 1060 C SER A 68 -4.417 -12.337 6.831 1.00 0.60 C ATOM 1061 O SER A 68 -4.046 -12.117 5.703 1.00 0.56 O ATOM 1062 CB SER A 68 -5.637 -14.422 7.482 1.00 0.73 C ATOM 1063 OG SER A 68 -4.708 -15.049 6.610 1.00 0.73 O ATOM 0 H SER A 68 -6.792 -13.740 5.373 1.00 0.63 H new ATOM 0 HA SER A 68 -6.302 -12.431 7.895 1.00 0.65 H new ATOM 0 HB2 SER A 68 -5.292 -14.497 8.513 1.00 0.73 H new ATOM 0 HB3 SER A 68 -6.601 -14.929 7.430 1.00 0.73 H new ATOM 0 HG SER A 68 -4.605 -15.990 6.864 1.00 0.73 H new ATOM 1069 N ASP A 69 -3.658 -12.032 7.845 1.00 0.64 N ATOM 1070 CA ASP A 69 -2.325 -11.420 7.590 1.00 0.60 C ATOM 1071 C ASP A 69 -1.459 -12.352 6.763 1.00 0.57 C ATOM 1072 O ASP A 69 -0.880 -11.941 5.788 1.00 0.51 O ATOM 1073 CB ASP A 69 -1.629 -11.163 8.928 1.00 0.66 C ATOM 1074 CG ASP A 69 -0.362 -10.337 8.694 1.00 1.15 C ATOM 1075 OD1 ASP A 69 -0.144 -9.925 7.566 1.00 1.69 O ATOM 1076 OD2 ASP A 69 0.370 -10.129 9.649 1.00 2.02 O ATOM 0 H ASP A 69 -3.898 -12.177 8.826 1.00 0.64 H new ATOM 0 HA ASP A 69 -2.467 -10.487 7.045 1.00 0.60 H new ATOM 0 HB2 ASP A 69 -2.301 -10.634 9.604 1.00 0.66 H new ATOM 0 HB3 ASP A 69 -1.376 -12.109 9.406 1.00 0.66 H new ATOM 1081 N GLU A 70 -1.374 -13.614 7.103 1.00 0.64 N ATOM 1082 CA GLU A 70 -0.528 -14.496 6.265 1.00 0.64 C ATOM 1083 C GLU A 70 -1.126 -14.489 4.879 1.00 0.59 C ATOM 1084 O GLU A 70 -0.444 -14.422 3.878 1.00 0.57 O ATOM 1085 CB GLU A 70 -0.530 -15.913 6.839 1.00 0.75 C ATOM 1086 CG GLU A 70 0.458 -16.780 6.059 1.00 1.34 C ATOM 1087 CD GLU A 70 0.387 -18.220 6.568 1.00 1.66 C ATOM 1088 OE1 GLU A 70 -0.413 -18.475 7.454 1.00 1.89 O ATOM 1089 OE2 GLU A 70 1.135 -19.043 6.066 1.00 2.30 O ATOM 0 H GLU A 70 -1.839 -14.054 7.897 1.00 0.64 H new ATOM 0 HA GLU A 70 0.504 -14.147 6.241 1.00 0.64 H new ATOM 0 HB2 GLU A 70 -0.256 -15.890 7.894 1.00 0.75 H new ATOM 0 HB3 GLU A 70 -1.531 -16.340 6.779 1.00 0.75 H new ATOM 0 HG2 GLU A 70 0.225 -16.748 4.995 1.00 1.34 H new ATOM 0 HG3 GLU A 70 1.470 -16.391 6.176 1.00 1.34 H new ATOM 1096 N GLU A 71 -2.421 -14.500 4.833 1.00 0.59 N ATOM 1097 CA GLU A 71 -3.118 -14.432 3.538 1.00 0.57 C ATOM 1098 C GLU A 71 -2.824 -13.077 2.880 1.00 0.51 C ATOM 1099 O GLU A 71 -2.629 -12.985 1.684 1.00 0.51 O ATOM 1100 CB GLU A 71 -4.613 -14.618 3.812 1.00 0.64 C ATOM 1101 CG GLU A 71 -5.390 -14.603 2.512 1.00 0.90 C ATOM 1102 CD GLU A 71 -5.042 -15.837 1.677 1.00 1.19 C ATOM 1103 OE1 GLU A 71 -4.630 -16.826 2.260 1.00 1.50 O ATOM 1104 OE2 GLU A 71 -5.196 -15.773 0.468 1.00 1.96 O ATOM 0 H GLU A 71 -3.030 -14.554 5.649 1.00 0.59 H new ATOM 0 HA GLU A 71 -2.780 -15.210 2.853 1.00 0.57 H new ATOM 0 HB2 GLU A 71 -4.780 -15.561 4.333 1.00 0.64 H new ATOM 0 HB3 GLU A 71 -4.971 -13.824 4.467 1.00 0.64 H new ATOM 0 HG2 GLU A 71 -6.460 -14.584 2.719 1.00 0.90 H new ATOM 0 HG3 GLU A 71 -5.158 -13.698 1.951 1.00 0.90 H new ATOM 1111 N VAL A 72 -2.771 -12.026 3.663 1.00 0.49 N ATOM 1112 CA VAL A 72 -2.465 -10.682 3.094 1.00 0.46 C ATOM 1113 C VAL A 72 -1.050 -10.673 2.531 1.00 0.41 C ATOM 1114 O VAL A 72 -0.767 -10.103 1.499 1.00 0.43 O ATOM 1115 CB VAL A 72 -2.555 -9.607 4.176 1.00 0.48 C ATOM 1116 CG1 VAL A 72 -2.090 -8.274 3.594 1.00 0.46 C ATOM 1117 CG2 VAL A 72 -3.999 -9.471 4.662 1.00 0.59 C ATOM 0 H VAL A 72 -2.927 -12.044 4.671 1.00 0.49 H new ATOM 0 HA VAL A 72 -3.191 -10.473 2.308 1.00 0.46 H new ATOM 0 HB VAL A 72 -1.922 -9.889 5.017 1.00 0.48 H new ATOM 0 HG11 VAL A 72 -2.151 -7.501 4.360 1.00 0.46 H new ATOM 0 HG12 VAL A 72 -1.059 -8.366 3.253 1.00 0.46 H new ATOM 0 HG13 VAL A 72 -2.728 -8.002 2.753 1.00 0.46 H new ATOM 0 HG21 VAL A 72 -4.053 -8.702 5.433 1.00 0.59 H new ATOM 0 HG22 VAL A 72 -4.640 -9.191 3.826 1.00 0.59 H new ATOM 0 HG23 VAL A 72 -4.335 -10.422 5.074 1.00 0.59 H new ATOM 1127 N LYS A 73 -0.140 -11.285 3.220 1.00 0.40 N ATOM 1128 CA LYS A 73 1.241 -11.294 2.703 1.00 0.43 C ATOM 1129 C LYS A 73 1.289 -12.011 1.341 1.00 0.47 C ATOM 1130 O LYS A 73 1.955 -11.577 0.423 1.00 0.51 O ATOM 1131 CB LYS A 73 2.150 -11.985 3.723 1.00 0.48 C ATOM 1132 CG LYS A 73 2.165 -11.153 5.026 1.00 0.50 C ATOM 1133 CD LYS A 73 3.269 -11.635 5.988 1.00 0.59 C ATOM 1134 CE LYS A 73 2.983 -13.034 6.546 1.00 0.76 C ATOM 1135 NZ LYS A 73 4.197 -13.534 7.251 1.00 0.79 N ATOM 0 H LYS A 73 -0.290 -11.771 4.104 1.00 0.40 H new ATOM 0 HA LYS A 73 1.591 -10.272 2.555 1.00 0.43 H new ATOM 0 HB2 LYS A 73 1.791 -12.994 3.925 1.00 0.48 H new ATOM 0 HB3 LYS A 73 3.160 -12.079 3.325 1.00 0.48 H new ATOM 0 HG2 LYS A 73 2.323 -10.101 4.786 1.00 0.50 H new ATOM 0 HG3 LYS A 73 1.195 -11.226 5.517 1.00 0.50 H new ATOM 0 HD2 LYS A 73 4.225 -11.643 5.465 1.00 0.59 H new ATOM 0 HD3 LYS A 73 3.363 -10.929 6.813 1.00 0.59 H new ATOM 0 HE2 LYS A 73 2.137 -13.000 7.232 1.00 0.76 H new ATOM 0 HE3 LYS A 73 2.711 -13.713 5.738 1.00 0.76 H new ATOM 0 HZ1 LYS A 73 4.011 -14.483 7.633 1.00 0.79 H new ATOM 0 HZ2 LYS A 73 4.993 -13.580 6.583 1.00 0.79 H new ATOM 0 HZ3 LYS A 73 4.436 -12.888 8.030 1.00 0.79 H new ATOM 1149 N LYS A 74 0.590 -13.117 1.207 1.00 0.49 N ATOM 1150 CA LYS A 74 0.609 -13.859 -0.095 1.00 0.57 C ATOM 1151 C LYS A 74 0.033 -13.035 -1.260 1.00 0.58 C ATOM 1152 O LYS A 74 0.583 -13.016 -2.345 1.00 0.63 O ATOM 1153 CB LYS A 74 -0.196 -15.146 0.062 1.00 0.63 C ATOM 1154 CG LYS A 74 0.501 -16.046 1.083 1.00 1.16 C ATOM 1155 CD LYS A 74 -0.226 -17.386 1.164 1.00 1.19 C ATOM 1156 CE LYS A 74 0.397 -18.240 2.271 1.00 2.01 C ATOM 1157 NZ LYS A 74 0.702 -19.599 1.742 1.00 2.33 N ATOM 0 H LYS A 74 0.012 -13.534 1.937 1.00 0.49 H new ATOM 0 HA LYS A 74 1.650 -14.072 -0.339 1.00 0.57 H new ATOM 0 HB2 LYS A 74 -1.210 -14.918 0.391 1.00 0.63 H new ATOM 0 HB3 LYS A 74 -0.279 -15.658 -0.897 1.00 0.63 H new ATOM 0 HG2 LYS A 74 1.541 -16.202 0.796 1.00 1.16 H new ATOM 0 HG3 LYS A 74 0.509 -15.565 2.061 1.00 1.16 H new ATOM 0 HD2 LYS A 74 -1.285 -17.225 1.367 1.00 1.19 H new ATOM 0 HD3 LYS A 74 -0.160 -17.906 0.208 1.00 1.19 H new ATOM 0 HE2 LYS A 74 1.309 -17.769 2.638 1.00 2.01 H new ATOM 0 HE3 LYS A 74 -0.287 -18.313 3.116 1.00 2.01 H new ATOM 0 HZ1 LYS A 74 1.125 -20.178 2.495 1.00 2.33 H new ATOM 0 HZ2 LYS A 74 -0.176 -20.048 1.412 1.00 2.33 H new ATOM 0 HZ3 LYS A 74 1.370 -19.521 0.949 1.00 2.33 H new ATOM 1171 N LYS A 75 -1.062 -12.343 -1.047 1.00 0.55 N ATOM 1172 CA LYS A 75 -1.648 -11.525 -2.156 1.00 0.59 C ATOM 1173 C LYS A 75 -0.720 -10.367 -2.480 1.00 0.55 C ATOM 1174 O LYS A 75 -0.696 -9.865 -3.586 1.00 0.59 O ATOM 1175 CB LYS A 75 -3.048 -11.008 -1.798 1.00 0.62 C ATOM 1176 CG LYS A 75 -2.956 -10.054 -0.621 1.00 1.06 C ATOM 1177 CD LYS A 75 -4.359 -9.682 -0.134 1.00 1.32 C ATOM 1178 CE LYS A 75 -5.093 -8.879 -1.210 1.00 1.88 C ATOM 1179 NZ LYS A 75 -6.133 -8.030 -0.566 1.00 2.62 N ATOM 0 H LYS A 75 -1.570 -12.309 -0.163 1.00 0.55 H new ATOM 0 HA LYS A 75 -1.752 -12.163 -3.034 1.00 0.59 H new ATOM 0 HB2 LYS A 75 -3.489 -10.501 -2.656 1.00 0.62 H new ATOM 0 HB3 LYS A 75 -3.703 -11.844 -1.551 1.00 0.62 H new ATOM 0 HG2 LYS A 75 -2.392 -10.517 0.189 1.00 1.06 H new ATOM 0 HG3 LYS A 75 -2.414 -9.155 -0.913 1.00 1.06 H new ATOM 0 HD2 LYS A 75 -4.921 -10.585 0.104 1.00 1.32 H new ATOM 0 HD3 LYS A 75 -4.291 -9.098 0.784 1.00 1.32 H new ATOM 0 HE2 LYS A 75 -4.388 -8.256 -1.760 1.00 1.88 H new ATOM 0 HE3 LYS A 75 -5.553 -9.553 -1.933 1.00 1.88 H new ATOM 0 HZ1 LYS A 75 -6.249 -7.151 -1.110 1.00 2.62 H new ATOM 0 HZ2 LYS A 75 -7.036 -8.545 -0.543 1.00 2.62 H new ATOM 0 HZ3 LYS A 75 -5.841 -7.800 0.405 1.00 2.62 H new ATOM 1193 N LEU A 76 0.040 -9.925 -1.517 1.00 0.51 N ATOM 1194 CA LEU A 76 0.950 -8.787 -1.776 1.00 0.52 C ATOM 1195 C LEU A 76 1.835 -9.130 -2.958 1.00 0.54 C ATOM 1196 O LEU A 76 2.104 -8.314 -3.802 1.00 0.59 O ATOM 1197 CB LEU A 76 1.806 -8.550 -0.525 1.00 0.58 C ATOM 1198 CG LEU A 76 2.719 -7.342 -0.738 1.00 0.76 C ATOM 1199 CD1 LEU A 76 1.871 -6.084 -0.884 1.00 1.30 C ATOM 1200 CD2 LEU A 76 3.644 -7.194 0.473 1.00 1.28 C ATOM 0 H LEU A 76 0.067 -10.303 -0.570 1.00 0.51 H new ATOM 0 HA LEU A 76 0.384 -7.884 -2.002 1.00 0.52 H new ATOM 0 HB2 LEU A 76 1.163 -8.383 0.339 1.00 0.58 H new ATOM 0 HB3 LEU A 76 2.404 -9.435 -0.311 1.00 0.58 H new ATOM 0 HG LEU A 76 3.313 -7.485 -1.641 1.00 0.76 H new ATOM 0 HD11 LEU A 76 2.521 -5.222 -1.036 1.00 1.30 H new ATOM 0 HD12 LEU A 76 1.205 -6.191 -1.740 1.00 1.30 H new ATOM 0 HD13 LEU A 76 1.279 -5.937 0.020 1.00 1.30 H new ATOM 0 HD21 LEU A 76 4.298 -6.334 0.328 1.00 1.28 H new ATOM 0 HD22 LEU A 76 3.046 -7.047 1.372 1.00 1.28 H new ATOM 0 HD23 LEU A 76 4.248 -8.095 0.582 1.00 1.28 H new ATOM 1212 N GLU A 77 2.269 -10.334 -3.040 1.00 0.54 N ATOM 1213 CA GLU A 77 3.144 -10.718 -4.177 1.00 0.62 C ATOM 1214 C GLU A 77 2.410 -10.468 -5.484 1.00 0.66 C ATOM 1215 O GLU A 77 3.015 -10.214 -6.507 1.00 0.72 O ATOM 1216 CB GLU A 77 3.500 -12.188 -4.092 1.00 0.67 C ATOM 1217 CG GLU A 77 4.327 -12.449 -2.832 1.00 0.65 C ATOM 1218 CD GLU A 77 4.744 -13.920 -2.787 1.00 1.04 C ATOM 1219 OE1 GLU A 77 4.253 -14.680 -3.605 1.00 1.47 O ATOM 1220 OE2 GLU A 77 5.548 -14.261 -1.935 1.00 1.70 O ATOM 0 H GLU A 77 2.062 -11.079 -2.374 1.00 0.54 H new ATOM 0 HA GLU A 77 4.056 -10.122 -4.135 1.00 0.62 H new ATOM 0 HB2 GLU A 77 2.592 -12.791 -4.074 1.00 0.67 H new ATOM 0 HB3 GLU A 77 4.063 -12.487 -4.976 1.00 0.67 H new ATOM 0 HG2 GLU A 77 5.210 -11.810 -2.826 1.00 0.65 H new ATOM 0 HG3 GLU A 77 3.746 -12.198 -1.945 1.00 0.65 H new ATOM 1227 N GLU A 78 1.116 -10.560 -5.476 1.00 0.65 N ATOM 1228 CA GLU A 78 0.360 -10.353 -6.732 1.00 0.71 C ATOM 1229 C GLU A 78 0.748 -9.006 -7.365 1.00 0.67 C ATOM 1230 O GLU A 78 0.689 -8.864 -8.570 1.00 0.72 O ATOM 1231 CB GLU A 78 -1.140 -10.369 -6.426 1.00 0.74 C ATOM 1232 CG GLU A 78 -1.933 -10.314 -7.729 1.00 1.38 C ATOM 1233 CD GLU A 78 -3.428 -10.233 -7.414 1.00 1.60 C ATOM 1234 OE1 GLU A 78 -3.763 -10.186 -6.243 1.00 2.29 O ATOM 1235 OE2 GLU A 78 -4.210 -10.220 -8.350 1.00 1.85 O ATOM 0 H GLU A 78 0.549 -10.770 -4.654 1.00 0.65 H new ATOM 0 HA GLU A 78 0.599 -11.152 -7.433 1.00 0.71 H new ATOM 0 HB2 GLU A 78 -1.398 -11.271 -5.870 1.00 0.74 H new ATOM 0 HB3 GLU A 78 -1.401 -9.520 -5.794 1.00 0.74 H new ATOM 0 HG2 GLU A 78 -1.627 -9.449 -8.317 1.00 1.38 H new ATOM 0 HG3 GLU A 78 -1.725 -11.198 -8.331 1.00 1.38 H new ATOM 1242 N SER A 79 1.076 -7.987 -6.597 1.00 0.62 N ATOM 1243 CA SER A 79 1.369 -6.665 -7.248 1.00 0.62 C ATOM 1244 C SER A 79 2.780 -6.649 -7.872 1.00 0.68 C ATOM 1245 O SER A 79 3.217 -5.647 -8.402 1.00 0.74 O ATOM 1246 CB SER A 79 1.172 -5.505 -6.241 1.00 0.59 C ATOM 1247 OG SER A 79 -0.210 -5.399 -5.929 1.00 1.41 O ATOM 0 H SER A 79 1.152 -8.010 -5.580 1.00 0.62 H new ATOM 0 HA SER A 79 0.659 -6.521 -8.062 1.00 0.62 H new ATOM 0 HB2 SER A 79 1.750 -5.689 -5.336 1.00 0.59 H new ATOM 0 HB3 SER A 79 1.536 -4.570 -6.667 1.00 0.59 H new ATOM 0 HG SER A 79 -0.346 -4.668 -5.290 1.00 1.41 H new ATOM 1253 N ASN A 80 3.474 -7.764 -7.823 1.00 0.72 N ATOM 1254 CA ASN A 80 4.856 -7.879 -8.428 1.00 0.85 C ATOM 1255 C ASN A 80 5.879 -6.980 -7.727 1.00 0.84 C ATOM 1256 O ASN A 80 6.703 -6.333 -8.342 1.00 0.95 O ATOM 1257 CB ASN A 80 4.806 -7.528 -9.919 1.00 0.98 C ATOM 1258 CG ASN A 80 3.764 -8.403 -10.617 1.00 1.05 C ATOM 1259 OD1 ASN A 80 2.965 -7.916 -11.392 1.00 1.40 O ATOM 1260 ND2 ASN A 80 3.742 -9.685 -10.377 1.00 1.53 N ATOM 0 H ASN A 80 3.139 -8.620 -7.381 1.00 0.72 H new ATOM 0 HA ASN A 80 5.178 -8.912 -8.294 1.00 0.85 H new ATOM 0 HB2 ASN A 80 4.556 -6.475 -10.047 1.00 0.98 H new ATOM 0 HB3 ASN A 80 5.786 -7.680 -10.372 1.00 0.98 H new ATOM 0 HD21 ASN A 80 3.054 -10.279 -10.840 1.00 1.53 H new ATOM 0 HD22 ASN A 80 4.413 -10.094 -9.726 1.00 1.53 H new ATOM 1267 N LEU A 81 5.838 -6.993 -6.438 1.00 0.80 N ATOM 1268 CA LEU A 81 6.814 -6.201 -5.635 1.00 0.88 C ATOM 1269 C LEU A 81 8.222 -6.752 -5.817 1.00 1.17 C ATOM 1270 O LEU A 81 9.188 -6.070 -5.553 1.00 1.25 O ATOM 1271 CB LEU A 81 6.523 -6.213 -4.143 1.00 1.13 C ATOM 1272 CG LEU A 81 5.130 -5.658 -3.800 1.00 1.49 C ATOM 1273 CD1 LEU A 81 4.874 -4.352 -4.540 1.00 1.87 C ATOM 1274 CD2 LEU A 81 4.039 -6.644 -4.168 1.00 2.46 C ATOM 0 H LEU A 81 5.163 -7.524 -5.888 1.00 0.80 H new ATOM 0 HA LEU A 81 6.725 -5.179 -6.002 1.00 0.88 H new ATOM 0 HB2 LEU A 81 6.603 -7.234 -3.771 1.00 1.13 H new ATOM 0 HB3 LEU A 81 7.281 -5.624 -3.626 1.00 1.13 H new ATOM 0 HG LEU A 81 5.110 -5.484 -2.724 1.00 1.49 H new ATOM 0 HD11 LEU A 81 3.883 -3.977 -4.283 1.00 1.87 H new ATOM 0 HD12 LEU A 81 5.626 -3.617 -4.253 1.00 1.87 H new ATOM 0 HD13 LEU A 81 4.929 -4.526 -5.615 1.00 1.87 H new ATOM 0 HD21 LEU A 81 3.067 -6.223 -3.913 1.00 2.46 H new ATOM 0 HD22 LEU A 81 4.078 -6.847 -5.238 1.00 2.46 H new ATOM 0 HD23 LEU A 81 4.187 -7.573 -3.617 1.00 2.46 H new ATOM 1286 N THR A 82 8.357 -8.003 -6.159 1.00 1.41 N ATOM 1287 CA THR A 82 9.713 -8.616 -6.229 1.00 1.79 C ATOM 1288 C THR A 82 10.708 -7.664 -6.890 1.00 1.79 C ATOM 1289 O THR A 82 11.855 -7.614 -6.490 1.00 1.97 O ATOM 1290 CB THR A 82 9.638 -9.906 -7.048 1.00 2.11 C ATOM 1291 OG1 THR A 82 8.640 -10.754 -6.500 1.00 2.13 O ATOM 1292 CG2 THR A 82 10.992 -10.617 -7.009 1.00 2.54 C ATOM 0 H THR A 82 7.586 -8.628 -6.393 1.00 1.41 H new ATOM 0 HA THR A 82 10.052 -8.827 -5.215 1.00 1.79 H new ATOM 0 HB THR A 82 9.386 -9.667 -8.081 1.00 2.11 H new ATOM 0 HG1 THR A 82 8.589 -11.580 -7.024 1.00 2.13 H new ATOM 0 HG21 THR A 82 10.937 -11.536 -7.593 1.00 2.54 H new ATOM 0 HG22 THR A 82 11.758 -9.965 -7.429 1.00 2.54 H new ATOM 0 HG23 THR A 82 11.247 -10.857 -5.977 1.00 2.54 H new ATOM 1300 N GLU A 83 10.340 -6.905 -7.875 1.00 1.69 N ATOM 1301 CA GLU A 83 11.361 -5.998 -8.456 1.00 1.83 C ATOM 1302 C GLU A 83 10.704 -4.878 -9.264 1.00 1.73 C ATOM 1303 O GLU A 83 11.318 -3.867 -9.541 1.00 1.85 O ATOM 1304 CB GLU A 83 12.285 -6.821 -9.359 1.00 2.32 C ATOM 1305 CG GLU A 83 13.447 -5.959 -9.859 1.00 2.54 C ATOM 1306 CD GLU A 83 14.303 -6.773 -10.829 1.00 2.96 C ATOM 1307 OE1 GLU A 83 13.953 -7.914 -11.081 1.00 3.53 O ATOM 1308 OE2 GLU A 83 15.292 -6.242 -11.301 1.00 3.13 O ATOM 0 H GLU A 83 9.410 -6.870 -8.293 1.00 1.69 H new ATOM 0 HA GLU A 83 11.932 -5.536 -7.650 1.00 1.83 H new ATOM 0 HB2 GLU A 83 12.671 -7.680 -8.810 1.00 2.32 H new ATOM 0 HB3 GLU A 83 11.722 -7.212 -10.207 1.00 2.32 H new ATOM 0 HG2 GLU A 83 13.065 -5.067 -10.355 1.00 2.54 H new ATOM 0 HG3 GLU A 83 14.052 -5.622 -9.018 1.00 2.54 H new ATOM 1315 N TYR A 84 9.473 -5.029 -9.666 1.00 1.58 N ATOM 1316 CA TYR A 84 8.859 -3.933 -10.477 1.00 1.68 C ATOM 1317 C TYR A 84 8.860 -2.662 -9.632 1.00 1.53 C ATOM 1318 O TYR A 84 9.108 -1.561 -10.078 1.00 1.85 O ATOM 1319 CB TYR A 84 7.413 -4.293 -10.787 1.00 1.54 C ATOM 1320 CG TYR A 84 6.842 -3.285 -11.762 1.00 1.85 C ATOM 1321 CD1 TYR A 84 7.023 -3.481 -13.137 1.00 2.10 C ATOM 1322 CD2 TYR A 84 6.134 -2.167 -11.305 1.00 2.50 C ATOM 1323 CE1 TYR A 84 6.501 -2.561 -14.052 1.00 2.45 C ATOM 1324 CE2 TYR A 84 5.612 -1.246 -12.222 1.00 2.86 C ATOM 1325 CZ TYR A 84 5.796 -1.443 -13.595 1.00 2.63 C ATOM 1326 OH TYR A 84 5.283 -0.535 -14.499 1.00 3.06 O ATOM 0 H TYR A 84 8.878 -5.836 -9.478 1.00 1.58 H new ATOM 0 HA TYR A 84 9.418 -3.791 -11.402 1.00 1.68 H new ATOM 0 HB2 TYR A 84 7.359 -5.296 -11.210 1.00 1.54 H new ATOM 0 HB3 TYR A 84 6.824 -4.302 -9.870 1.00 1.54 H new ATOM 0 HD1 TYR A 84 7.567 -4.344 -13.491 1.00 2.10 H new ATOM 0 HD2 TYR A 84 5.990 -2.015 -10.245 1.00 2.50 H new ATOM 0 HE1 TYR A 84 6.642 -2.714 -15.112 1.00 2.45 H new ATOM 0 HE2 TYR A 84 5.067 -0.383 -11.869 1.00 2.86 H new ATOM 0 HH TYR A 84 4.821 0.182 -14.016 1.00 3.06 H new ATOM 1336 N MET A 85 8.493 -2.869 -8.414 1.00 1.09 N ATOM 1337 CA MET A 85 8.351 -1.758 -7.459 1.00 1.02 C ATOM 1338 C MET A 85 9.607 -1.570 -6.610 1.00 0.89 C ATOM 1339 O MET A 85 10.696 -1.385 -7.117 1.00 1.10 O ATOM 1340 CB MET A 85 7.139 -2.007 -6.577 1.00 0.95 C ATOM 1341 CG MET A 85 5.874 -1.978 -7.437 1.00 1.24 C ATOM 1342 SD MET A 85 4.410 -2.075 -6.378 1.00 1.93 S ATOM 1343 CE MET A 85 3.178 -2.177 -7.701 1.00 2.45 C ATOM 0 H MET A 85 8.279 -3.789 -8.029 1.00 1.09 H new ATOM 0 HA MET A 85 8.211 -0.836 -8.024 1.00 1.02 H new ATOM 0 HB2 MET A 85 7.231 -2.971 -6.077 1.00 0.95 H new ATOM 0 HB3 MET A 85 7.080 -1.248 -5.797 1.00 0.95 H new ATOM 0 HG2 MET A 85 5.846 -1.063 -8.028 1.00 1.24 H new ATOM 0 HG3 MET A 85 5.882 -2.811 -8.140 1.00 1.24 H new ATOM 0 HE1 MET A 85 2.181 -2.246 -7.265 1.00 2.45 H new ATOM 0 HE2 MET A 85 3.240 -1.286 -8.326 1.00 2.45 H new ATOM 0 HE3 MET A 85 3.370 -3.061 -8.309 1.00 2.45 H new ATOM 1353 N LYS A 86 9.453 -1.612 -5.320 1.00 0.69 N ATOM 1354 CA LYS A 86 10.593 -1.436 -4.384 1.00 0.66 C ATOM 1355 C LYS A 86 11.340 -0.121 -4.599 1.00 0.77 C ATOM 1356 O LYS A 86 12.524 -0.045 -4.335 1.00 0.83 O ATOM 1357 CB LYS A 86 11.565 -2.607 -4.473 1.00 0.81 C ATOM 1358 CG LYS A 86 10.855 -3.866 -3.993 1.00 0.90 C ATOM 1359 CD LYS A 86 11.844 -5.033 -3.965 1.00 1.28 C ATOM 1360 CE LYS A 86 11.116 -6.319 -3.572 1.00 1.33 C ATOM 1361 NZ LYS A 86 9.746 -5.995 -3.082 1.00 1.49 N ATOM 0 H LYS A 86 8.555 -1.766 -4.861 1.00 0.69 H new ATOM 0 HA LYS A 86 10.160 -1.405 -3.384 1.00 0.66 H new ATOM 0 HB2 LYS A 86 11.910 -2.735 -5.499 1.00 0.81 H new ATOM 0 HB3 LYS A 86 12.447 -2.414 -3.862 1.00 0.81 H new ATOM 0 HG2 LYS A 86 10.439 -3.705 -2.999 1.00 0.90 H new ATOM 0 HG3 LYS A 86 10.020 -4.099 -4.654 1.00 0.90 H new ATOM 0 HD2 LYS A 86 12.308 -5.152 -4.944 1.00 1.28 H new ATOM 0 HD3 LYS A 86 12.645 -4.826 -3.255 1.00 1.28 H new ATOM 0 HE2 LYS A 86 11.056 -6.990 -4.429 1.00 1.33 H new ATOM 0 HE3 LYS A 86 11.675 -6.842 -2.796 1.00 1.33 H new ATOM 0 HZ1 LYS A 86 9.318 -6.844 -2.660 1.00 1.49 H new ATOM 0 HZ2 LYS A 86 9.802 -5.243 -2.366 1.00 1.49 H new ATOM 0 HZ3 LYS A 86 9.160 -5.672 -3.878 1.00 1.49 H new ATOM 1375 N GLU A 87 10.696 0.918 -5.058 1.00 0.95 N ATOM 1376 CA GLU A 87 11.453 2.195 -5.245 1.00 1.19 C ATOM 1377 C GLU A 87 10.531 3.410 -5.059 1.00 1.21 C ATOM 1378 O GLU A 87 10.790 4.253 -4.223 1.00 1.60 O ATOM 1379 CB GLU A 87 12.147 2.184 -6.620 1.00 1.64 C ATOM 1380 CG GLU A 87 11.166 2.520 -7.734 1.00 1.85 C ATOM 1381 CD GLU A 87 11.850 2.328 -9.091 1.00 2.10 C ATOM 1382 OE1 GLU A 87 13.037 2.046 -9.100 1.00 2.30 O ATOM 1383 OE2 GLU A 87 11.175 2.467 -10.097 1.00 2.69 O ATOM 0 H GLU A 87 9.707 0.943 -5.306 1.00 0.95 H new ATOM 0 HA GLU A 87 12.227 2.277 -4.482 1.00 1.19 H new ATOM 0 HB2 GLU A 87 12.965 2.904 -6.623 1.00 1.64 H new ATOM 0 HB3 GLU A 87 12.585 1.203 -6.801 1.00 1.64 H new ATOM 0 HG2 GLU A 87 10.287 1.880 -7.664 1.00 1.85 H new ATOM 0 HG3 GLU A 87 10.821 3.549 -7.631 1.00 1.85 H new