USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 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 77 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 81 ASN : amide:sc= 0.172 X(o=0.17,f=0.2) USER MOD Set 2.1: A 71 THR OG1 : rot 180:sc= 0.00713 USER MOD Set 2.2: A 74 GLN : amide:sc= -0.415 K(o=-0.41,f=-3.2!) USER MOD Set 3.1: A 54 HIS : no HD1:sc= 0 X(o=1.3,f=1) USER MOD Set 3.2: A 92 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.1) USER MOD Set 4.1: A 29 THR OG1 : rot 180:sc= 0.476 USER MOD Set 4.2: A 30 SER OG : rot 180:sc= 0.00788 USER MOD Set 5.1: A 14 LYS NZ :NH3+ 174:sc= 2.34 (180deg=1.04) USER MOD Set 5.2: A 17 ASN : amide:sc= 0.651 K(o=3,f=-7.5) USER MOD Single : A 15 ASN : amide:sc= -0.262 K(o=-0.26,f=-1.7) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 4:sc=6.08e-05 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.012) USER MOD Single : A 33 HIS : no HD1:sc= -0.435 X(o=-0.43,f=-0.18) USER MOD Single : A 37 TYR OH : rot 180:sc= 0.569 USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= -0.0144 (180deg=-0.191) USER MOD Single : A 44 GLN : amide:sc= -0.0973 X(o=-0.097,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -0.362 X(o=-0.36,f=-0.49) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.28) USER MOD Single : A 73 LYS NZ :NH3+ 169:sc=-0.00884 (180deg=-0.132) USER MOD Single : A 78 THR OG1 : rot 87:sc= 1.31 USER MOD Single : A 82 THR OG1 : rot -67:sc= 0.678 USER MOD Single : A 84 GLN : amide:sc= -0.145 X(o=-0.15,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.822 K(o=-0.82,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -6.221 -8.910 -8.251 1.00 12.23 N ATOM 61 CA GLY A 5 -4.857 -9.194 -8.632 1.00 33.15 C ATOM 62 C GLY A 5 -4.450 -8.279 -9.739 1.00 61.02 C ATOM 63 O GLY A 5 -3.300 -8.317 -10.181 1.00 55.43 O ATOM 0 HA2 GLY A 5 -4.194 -9.064 -7.776 1.00 33.15 H new ATOM 0 HA3 GLY A 5 -4.766 -10.232 -8.951 1.00 33.15 H new ATOM 67 N ASP A 6 -5.385 -7.416 -10.227 1.00 10.13 N ATOM 68 CA ASP A 6 -5.058 -6.498 -11.317 1.00 42.43 C ATOM 69 C ASP A 6 -4.191 -5.424 -10.735 1.00 11.51 C ATOM 70 O ASP A 6 -4.469 -4.921 -9.644 1.00 35.40 O ATOM 71 CB ASP A 6 -6.307 -5.822 -11.940 1.00 73.00 C ATOM 72 CG ASP A 6 -5.948 -5.065 -13.214 1.00 15.53 C ATOM 73 OD1 ASP A 6 -4.820 -5.204 -13.732 1.00 50.13 O ATOM 74 OD2 ASP A 6 -6.826 -4.349 -13.728 1.00 34.30 O ATOM 0 H ASP A 6 -6.343 -7.349 -9.883 1.00 10.13 H new ATOM 0 HA ASP A 6 -4.571 -7.066 -12.109 1.00 42.43 H new ATOM 0 HB2 ASP A 6 -7.059 -6.578 -12.163 1.00 73.00 H new ATOM 0 HB3 ASP A 6 -6.750 -5.135 -11.219 1.00 73.00 H new ATOM 79 N ILE A 7 -3.106 -5.089 -11.437 1.00 71.12 N ATOM 80 CA ILE A 7 -2.137 -4.207 -10.977 1.00 23.21 C ATOM 81 C ILE A 7 -2.321 -2.902 -11.685 1.00 44.12 C ATOM 82 O ILE A 7 -2.532 -2.855 -12.909 1.00 32.01 O ATOM 83 CB ILE A 7 -0.798 -4.748 -11.318 1.00 4.10 C ATOM 84 CG1 ILE A 7 -0.793 -6.250 -10.909 1.00 42.22 C ATOM 85 CG2 ILE A 7 0.275 -3.859 -10.656 1.00 33.44 C ATOM 86 CD1 ILE A 7 0.557 -6.831 -10.795 1.00 3.55 C ATOM 0 H ILE A 7 -2.910 -5.459 -12.367 1.00 71.12 H new ATOM 0 HA ILE A 7 -2.222 -4.074 -9.898 1.00 23.21 H new ATOM 0 HB ILE A 7 -0.563 -4.720 -12.382 1.00 4.10 H new ATOM 0 HG12 ILE A 7 -1.307 -6.359 -9.954 1.00 42.22 H new ATOM 0 HG13 ILE A 7 -1.362 -6.819 -11.644 1.00 42.22 H new ATOM 0 HG21 ILE A 7 1.266 -4.244 -10.897 1.00 33.44 H new ATOM 0 HG22 ILE A 7 0.182 -2.838 -11.027 1.00 33.44 H new ATOM 0 HG23 ILE A 7 0.137 -3.866 -9.575 1.00 33.44 H new ATOM 0 HD11 ILE A 7 0.479 -7.879 -10.507 1.00 3.55 H new ATOM 0 HD12 ILE A 7 1.068 -6.756 -11.755 1.00 3.55 H new ATOM 0 HD13 ILE A 7 1.124 -6.288 -10.039 1.00 3.55 H new ATOM 98 N PHE A 8 -2.231 -1.814 -10.926 1.00 71.35 N ATOM 99 CA PHE A 8 -2.274 -0.505 -11.505 1.00 3.45 C ATOM 100 C PHE A 8 -1.374 0.364 -10.689 1.00 41.21 C ATOM 101 O PHE A 8 -1.034 0.029 -9.555 1.00 2.35 O ATOM 102 CB PHE A 8 -3.707 0.145 -11.640 1.00 74.24 C ATOM 103 CG PHE A 8 -4.494 0.080 -10.343 1.00 11.33 C ATOM 104 CD1 PHE A 8 -4.942 -1.166 -9.805 1.00 33.52 C ATOM 105 CD2 PHE A 8 -4.871 1.273 -9.684 1.00 10.33 C ATOM 106 CE1 PHE A 8 -5.710 -1.200 -8.628 1.00 71.33 C ATOM 107 CE2 PHE A 8 -5.665 1.231 -8.519 1.00 0.21 C ATOM 108 CZ PHE A 8 -6.075 -0.001 -7.987 1.00 41.32 C ATOM 0 H PHE A 8 -2.128 -1.828 -9.911 1.00 71.35 H new ATOM 0 HA PHE A 8 -1.945 -0.600 -12.540 1.00 3.45 H new ATOM 0 HB2 PHE A 8 -3.604 1.185 -11.948 1.00 74.24 H new ATOM 0 HB3 PHE A 8 -4.263 -0.367 -12.426 1.00 74.24 H new ATOM 0 HD1 PHE A 8 -4.689 -2.088 -10.306 1.00 33.52 H new ATOM 0 HD2 PHE A 8 -4.548 2.226 -10.077 1.00 10.33 H new ATOM 0 HE1 PHE A 8 -6.021 -2.148 -8.215 1.00 71.33 H new ATOM 0 HE2 PHE A 8 -5.959 2.151 -8.035 1.00 0.21 H new ATOM 0 HZ PHE A 8 -6.670 -0.029 -7.086 1.00 41.32 H new ATOM 118 N GLU A 9 -0.925 1.486 -11.286 1.00 44.10 N ATOM 119 CA GLU A 9 -0.050 2.401 -10.591 1.00 0.25 C ATOM 120 C GLU A 9 -0.900 3.544 -10.196 1.00 55.14 C ATOM 121 O GLU A 9 -1.820 3.912 -10.933 1.00 75.51 O ATOM 122 CB GLU A 9 1.076 2.982 -11.466 1.00 44.43 C ATOM 123 CG GLU A 9 1.999 1.934 -12.091 1.00 63.25 C ATOM 124 CD GLU A 9 3.122 2.685 -12.755 1.00 54.14 C ATOM 125 OE1 GLU A 9 2.859 3.353 -13.786 1.00 41.31 O ATOM 126 OE2 GLU A 9 4.252 2.662 -12.229 1.00 13.24 O ATOM 0 H GLU A 9 -1.161 1.763 -12.239 1.00 44.10 H new ATOM 0 HA GLU A 9 0.421 1.859 -9.771 1.00 0.25 H new ATOM 0 HB2 GLU A 9 0.629 3.576 -12.263 1.00 44.43 H new ATOM 0 HB3 GLU A 9 1.676 3.661 -10.860 1.00 44.43 H new ATOM 0 HG2 GLU A 9 2.384 1.255 -11.330 1.00 63.25 H new ATOM 0 HG3 GLU A 9 1.458 1.326 -12.816 1.00 63.25 H new ATOM 133 N VAL A 10 -0.629 4.144 -9.039 1.00 51.12 N ATOM 134 CA VAL A 10 -1.413 5.250 -8.614 1.00 25.13 C ATOM 135 C VAL A 10 -0.488 6.242 -8.004 1.00 12.04 C ATOM 136 O VAL A 10 0.568 5.884 -7.449 1.00 45.41 O ATOM 137 CB VAL A 10 -2.467 4.890 -7.578 1.00 3.42 C ATOM 138 CG1 VAL A 10 -3.542 4.048 -8.256 1.00 24.45 C ATOM 139 CG2 VAL A 10 -1.802 4.148 -6.402 1.00 65.44 C ATOM 0 H VAL A 10 0.120 3.872 -8.403 1.00 51.12 H new ATOM 0 HA VAL A 10 -1.943 5.633 -9.486 1.00 25.13 H new ATOM 0 HB VAL A 10 -2.938 5.785 -7.171 1.00 3.42 H new ATOM 0 HG11 VAL A 10 -4.307 3.780 -7.528 1.00 24.45 H new ATOM 0 HG12 VAL A 10 -3.996 4.620 -9.065 1.00 24.45 H new ATOM 0 HG13 VAL A 10 -3.093 3.141 -8.660 1.00 24.45 H new ATOM 0 HG21 VAL A 10 -2.558 3.890 -5.660 1.00 65.44 H new ATOM 0 HG22 VAL A 10 -1.328 3.237 -6.768 1.00 65.44 H new ATOM 0 HG23 VAL A 10 -1.049 4.791 -5.945 1.00 65.44 H new ATOM 149 N GLU A 11 -0.878 7.516 -8.098 1.00 33.21 N ATOM 150 CA GLU A 11 -0.242 8.556 -7.352 1.00 14.13 C ATOM 151 C GLU A 11 -1.264 9.032 -6.351 1.00 31.14 C ATOM 152 O GLU A 11 -2.408 9.371 -6.714 1.00 44.12 O ATOM 153 CB GLU A 11 0.224 9.749 -8.227 1.00 3.40 C ATOM 154 CG GLU A 11 -0.853 10.314 -9.168 1.00 13.53 C ATOM 155 CD GLU A 11 -0.225 11.391 -9.999 1.00 40.12 C ATOM 156 OE1 GLU A 11 0.314 12.350 -9.415 1.00 22.51 O ATOM 157 OE2 GLU A 11 -0.263 11.290 -11.244 1.00 12.15 O ATOM 0 H GLU A 11 -1.641 7.834 -8.695 1.00 33.21 H new ATOM 0 HA GLU A 11 0.663 8.163 -6.888 1.00 14.13 H new ATOM 0 HB2 GLU A 11 0.571 10.548 -7.572 1.00 3.40 H new ATOM 0 HB3 GLU A 11 1.079 9.432 -8.824 1.00 3.40 H new ATOM 0 HG2 GLU A 11 -1.253 9.526 -9.806 1.00 13.53 H new ATOM 0 HG3 GLU A 11 -1.688 10.714 -8.594 1.00 13.53 H new ATOM 164 N LEU A 12 -0.892 9.036 -5.061 1.00 72.04 N ATOM 165 CA LEU A 12 -1.786 9.525 -4.040 1.00 54.22 C ATOM 166 C LEU A 12 -0.995 10.379 -3.161 1.00 62.01 C ATOM 167 O LEU A 12 0.156 10.107 -2.887 1.00 12.42 O ATOM 168 CB LEU A 12 -2.447 8.458 -3.150 1.00 32.34 C ATOM 169 CG LEU A 12 -3.626 7.757 -3.815 1.00 65.31 C ATOM 170 CD1 LEU A 12 -3.233 6.451 -4.504 1.00 72.40 C ATOM 171 CD2 LEU A 12 -4.784 7.603 -2.844 1.00 32.12 C ATOM 0 H LEU A 12 0.011 8.708 -4.720 1.00 72.04 H new ATOM 0 HA LEU A 12 -2.601 10.022 -4.566 1.00 54.22 H new ATOM 0 HB2 LEU A 12 -1.700 7.713 -2.874 1.00 32.34 H new ATOM 0 HB3 LEU A 12 -2.787 8.926 -2.226 1.00 32.34 H new ATOM 0 HG LEU A 12 -3.974 8.400 -4.624 1.00 65.31 H new ATOM 0 HD11 LEU A 12 -4.115 6.000 -4.958 1.00 72.40 H new ATOM 0 HD12 LEU A 12 -2.492 6.656 -5.276 1.00 72.40 H new ATOM 0 HD13 LEU A 12 -2.812 5.765 -3.770 1.00 72.40 H new ATOM 0 HD21 LEU A 12 -5.613 7.100 -3.343 1.00 32.12 H new ATOM 0 HD22 LEU A 12 -4.464 7.011 -1.986 1.00 32.12 H new ATOM 0 HD23 LEU A 12 -5.108 8.587 -2.505 1.00 32.12 H new ATOM 183 N ALA A 13 -1.617 11.444 -2.685 1.00 51.23 N ATOM 184 CA ALA A 13 -0.950 12.334 -1.789 1.00 22.41 C ATOM 185 C ALA A 13 -1.214 11.813 -0.433 1.00 2.22 C ATOM 186 O ALA A 13 -2.217 11.175 -0.194 1.00 23.55 O ATOM 187 CB ALA A 13 -1.459 13.782 -1.831 1.00 31.53 C ATOM 0 H ALA A 13 -2.578 11.701 -2.910 1.00 51.23 H new ATOM 0 HA ALA A 13 0.102 12.369 -2.073 1.00 22.41 H new ATOM 0 HB1 ALA A 13 -0.896 14.386 -1.119 1.00 31.53 H new ATOM 0 HB2 ALA A 13 -1.326 14.186 -2.835 1.00 31.53 H new ATOM 0 HB3 ALA A 13 -2.517 13.804 -1.569 1.00 31.53 H new ATOM 193 N LYS A 14 -0.299 12.083 0.492 1.00 65.14 N ATOM 194 CA LYS A 14 -0.534 11.746 1.890 1.00 42.43 C ATOM 195 C LYS A 14 -1.625 12.666 2.414 1.00 23.13 C ATOM 196 O LYS A 14 -2.485 12.238 3.171 1.00 64.42 O ATOM 197 CB LYS A 14 0.737 11.859 2.769 1.00 34.34 C ATOM 198 CG LYS A 14 1.528 10.530 2.805 1.00 73.31 C ATOM 199 CD LYS A 14 2.858 10.568 3.591 1.00 25.24 C ATOM 200 CE LYS A 14 4.099 10.879 2.726 1.00 62.22 C ATOM 201 NZ LYS A 14 4.056 12.239 2.171 1.00 60.13 N ATOM 0 H LYS A 14 0.599 12.528 0.303 1.00 65.14 H new ATOM 0 HA LYS A 14 -0.837 10.701 1.945 1.00 42.43 H new ATOM 0 HB2 LYS A 14 1.377 12.653 2.383 1.00 34.34 H new ATOM 0 HB3 LYS A 14 0.454 12.142 3.783 1.00 34.34 H new ATOM 0 HG2 LYS A 14 0.891 9.760 3.240 1.00 73.31 H new ATOM 0 HG3 LYS A 14 1.741 10.226 1.780 1.00 73.31 H new ATOM 0 HD2 LYS A 14 2.780 11.319 4.377 1.00 25.24 H new ATOM 0 HD3 LYS A 14 3.004 9.606 4.082 1.00 25.24 H new ATOM 0 HE2 LYS A 14 5.000 10.762 3.329 1.00 62.22 H new ATOM 0 HE3 LYS A 14 4.164 10.157 1.912 1.00 62.22 H new ATOM 0 HZ1 LYS A 14 4.951 12.443 1.682 1.00 60.13 H new ATOM 0 HZ2 LYS A 14 3.268 12.314 1.496 1.00 60.13 H new ATOM 0 HZ3 LYS A 14 3.918 12.924 2.941 1.00 60.13 H new ATOM 215 N ASN A 15 -1.621 13.930 1.939 1.00 55.43 N ATOM 216 CA ASN A 15 -2.621 14.948 2.323 1.00 11.43 C ATOM 217 C ASN A 15 -2.317 15.410 3.729 1.00 4.12 C ATOM 218 O ASN A 15 -2.406 14.643 4.691 1.00 51.53 O ATOM 219 CB ASN A 15 -4.129 14.516 2.191 1.00 21.31 C ATOM 220 CG ASN A 15 -5.053 15.721 2.459 1.00 62.31 C ATOM 221 OD1 ASN A 15 -5.088 16.261 3.561 1.00 63.33 O ATOM 222 ND2 ASN A 15 -5.828 16.147 1.444 1.00 71.04 N ATOM 0 H ASN A 15 -0.924 14.273 1.278 1.00 55.43 H new ATOM 0 HA ASN A 15 -2.522 15.758 1.600 1.00 11.43 H new ATOM 0 HB2 ASN A 15 -4.316 14.120 1.193 1.00 21.31 H new ATOM 0 HB3 ASN A 15 -4.349 13.716 2.897 1.00 21.31 H new ATOM 0 HD21 ASN A 15 -6.462 16.934 1.582 1.00 71.04 H new ATOM 0 HD22 ASN A 15 -5.782 15.682 0.537 1.00 71.04 H new ATOM 229 N ASP A 16 -1.898 16.708 3.852 1.00 20.35 N ATOM 230 CA ASP A 16 -1.443 17.303 5.128 1.00 52.51 C ATOM 231 C ASP A 16 -0.311 16.470 5.670 1.00 42.10 C ATOM 232 O ASP A 16 -0.134 16.331 6.872 1.00 1.52 O ATOM 233 CB ASP A 16 -2.563 17.492 6.204 1.00 2.54 C ATOM 234 CG ASP A 16 -2.052 18.418 7.301 1.00 53.35 C ATOM 235 OD1 ASP A 16 -1.359 19.408 6.973 1.00 24.21 O ATOM 236 OD2 ASP A 16 -2.373 18.181 8.491 1.00 52.44 O ATOM 0 H ASP A 16 -1.870 17.359 3.067 1.00 20.35 H new ATOM 0 HA ASP A 16 -1.113 18.317 4.903 1.00 52.51 H new ATOM 0 HB2 ASP A 16 -3.458 17.912 5.745 1.00 2.54 H new ATOM 0 HB3 ASP A 16 -2.844 16.528 6.627 1.00 2.54 H new ATOM 241 N ASN A 17 0.480 15.906 4.718 1.00 22.14 N ATOM 242 CA ASN A 17 1.583 14.951 4.951 1.00 51.41 C ATOM 243 C ASN A 17 1.212 13.772 5.883 1.00 21.02 C ATOM 244 O ASN A 17 2.049 12.911 6.141 1.00 22.31 O ATOM 245 CB ASN A 17 2.887 15.629 5.466 1.00 42.31 C ATOM 246 CG ASN A 17 4.063 14.688 5.204 1.00 3.31 C ATOM 247 OD1 ASN A 17 4.196 14.160 4.091 1.00 41.13 O ATOM 248 ND2 ASN A 17 4.925 14.471 6.210 1.00 31.21 N ATOM 0 H ASN A 17 0.356 16.117 3.728 1.00 22.14 H new ATOM 0 HA ASN A 17 1.774 14.541 3.959 1.00 51.41 H new ATOM 0 HB2 ASN A 17 3.044 16.581 4.959 1.00 42.31 H new ATOM 0 HB3 ASN A 17 2.806 15.845 6.531 1.00 42.31 H new ATOM 0 HD21 ASN A 17 5.724 13.852 6.072 1.00 31.21 H new ATOM 0 HD22 ASN A 17 4.781 14.925 7.112 1.00 31.21 H new ATOM 255 N SER A 18 -0.016 13.716 6.413 1.00 61.30 N ATOM 256 CA SER A 18 -0.339 12.770 7.433 1.00 61.15 C ATOM 257 C SER A 18 -0.823 11.531 6.752 1.00 44.02 C ATOM 258 O SER A 18 -0.979 11.491 5.542 1.00 33.12 O ATOM 259 CB SER A 18 -1.443 13.301 8.402 1.00 54.34 C ATOM 260 OG SER A 18 -1.506 12.540 9.620 1.00 35.51 O ATOM 0 H SER A 18 -0.787 14.324 6.138 1.00 61.30 H new ATOM 0 HA SER A 18 0.547 12.579 8.038 1.00 61.15 H new ATOM 0 HB2 SER A 18 -1.245 14.346 8.638 1.00 54.34 H new ATOM 0 HB3 SER A 18 -2.411 13.265 7.902 1.00 54.34 H new ATOM 0 HG SER A 18 -2.208 12.906 10.198 1.00 35.51 H new ATOM 266 N LEU A 19 -1.035 10.489 7.518 1.00 5.33 N ATOM 267 CA LEU A 19 -1.473 9.260 6.982 1.00 13.04 C ATOM 268 C LEU A 19 -2.095 8.577 8.133 1.00 73.25 C ATOM 269 O LEU A 19 -2.507 9.231 9.087 1.00 62.12 O ATOM 270 CB LEU A 19 -0.338 8.356 6.357 1.00 1.02 C ATOM 271 CG LEU A 19 0.831 7.901 7.312 1.00 23.04 C ATOM 272 CD1 LEU A 19 1.699 6.821 6.655 1.00 11.31 C ATOM 273 CD2 LEU A 19 1.694 9.058 7.852 1.00 31.15 C ATOM 0 H LEU A 19 -0.904 10.487 8.529 1.00 5.33 H new ATOM 0 HA LEU A 19 -2.142 9.440 6.140 1.00 13.04 H new ATOM 0 HB2 LEU A 19 -0.807 7.461 5.947 1.00 1.02 H new ATOM 0 HB3 LEU A 19 0.102 8.897 5.519 1.00 1.02 H new ATOM 0 HG LEU A 19 0.340 7.473 8.186 1.00 23.04 H new ATOM 0 HD11 LEU A 19 2.496 6.529 7.339 1.00 11.31 H new ATOM 0 HD12 LEU A 19 1.084 5.952 6.422 1.00 11.31 H new ATOM 0 HD13 LEU A 19 2.135 7.214 5.736 1.00 11.31 H new ATOM 0 HD21 LEU A 19 2.474 8.658 8.500 1.00 31.15 H new ATOM 0 HD22 LEU A 19 2.152 9.590 7.018 1.00 31.15 H new ATOM 0 HD23 LEU A 19 1.067 9.745 8.420 1.00 31.15 H new ATOM 285 N GLY A 20 -2.173 7.260 8.099 1.00 25.12 N ATOM 286 CA GLY A 20 -2.738 6.540 9.210 1.00 65.00 C ATOM 287 C GLY A 20 -3.284 5.295 8.648 1.00 1.43 C ATOM 288 O GLY A 20 -4.345 4.847 9.025 1.00 32.31 O ATOM 0 H GLY A 20 -1.855 6.679 7.323 1.00 25.12 H new ATOM 0 HA2 GLY A 20 -1.980 6.329 9.964 1.00 65.00 H new ATOM 0 HA3 GLY A 20 -3.519 7.124 9.697 1.00 65.00 H new ATOM 292 N ILE A 21 -2.562 4.703 7.694 1.00 22.54 N ATOM 293 CA ILE A 21 -3.037 3.520 7.028 1.00 52.44 C ATOM 294 C ILE A 21 -2.546 2.375 7.900 1.00 62.21 C ATOM 295 O ILE A 21 -1.856 2.624 8.883 1.00 43.13 O ATOM 296 CB ILE A 21 -2.494 3.376 5.585 1.00 0.22 C ATOM 297 CG1 ILE A 21 -2.078 4.757 4.978 1.00 71.31 C ATOM 298 CG2 ILE A 21 -3.563 2.663 4.721 1.00 14.22 C ATOM 299 CD1 ILE A 21 -3.249 5.739 4.763 1.00 2.21 C ATOM 0 H ILE A 21 -1.651 5.033 7.376 1.00 22.54 H new ATOM 0 HA ILE A 21 -4.121 3.545 6.915 1.00 52.44 H new ATOM 0 HB ILE A 21 -1.586 2.773 5.601 1.00 0.22 H new ATOM 0 HG12 ILE A 21 -1.345 5.223 5.637 1.00 71.31 H new ATOM 0 HG13 ILE A 21 -1.584 4.586 4.022 1.00 71.31 H new ATOM 0 HG21 ILE A 21 -3.194 2.555 3.701 1.00 14.22 H new ATOM 0 HG22 ILE A 21 -3.770 1.678 5.138 1.00 14.22 H new ATOM 0 HG23 ILE A 21 -4.479 3.254 4.714 1.00 14.22 H new ATOM 0 HD11 ILE A 21 -2.871 6.669 4.340 1.00 2.21 H new ATOM 0 HD12 ILE A 21 -3.973 5.297 4.079 1.00 2.21 H new ATOM 0 HD13 ILE A 21 -3.731 5.945 5.719 1.00 2.21 H new ATOM 311 N CYS A 22 -2.883 1.121 7.571 1.00 53.43 N ATOM 312 CA CYS A 22 -2.311 0.022 8.334 1.00 22.15 C ATOM 313 C CYS A 22 -2.046 -1.028 7.343 1.00 24.45 C ATOM 314 O CYS A 22 -2.448 -0.921 6.183 1.00 3.55 O ATOM 315 CB CYS A 22 -3.296 -0.625 9.370 1.00 12.12 C ATOM 316 SG CYS A 22 -3.722 0.454 10.775 1.00 1.03 S ATOM 0 H CYS A 22 -3.518 0.856 6.818 1.00 53.43 H new ATOM 0 HA CYS A 22 -1.451 0.403 8.886 1.00 22.15 H new ATOM 0 HB2 CYS A 22 -4.213 -0.908 8.854 1.00 12.12 H new ATOM 0 HB3 CYS A 22 -2.850 -1.542 9.754 1.00 12.12 H new ATOM 0 HG CYS A 22 -3.179 1.623 10.605 1.00 1.03 H new ATOM 321 N VAL A 23 -1.268 -2.025 7.754 1.00 2.33 N ATOM 322 CA VAL A 23 -0.813 -3.022 6.862 1.00 1.11 C ATOM 323 C VAL A 23 -0.712 -4.268 7.663 1.00 32.11 C ATOM 324 O VAL A 23 -0.869 -4.247 8.882 1.00 15.12 O ATOM 325 CB VAL A 23 0.559 -2.728 6.264 1.00 21.22 C ATOM 326 CG1 VAL A 23 0.385 -1.708 5.112 1.00 53.31 C ATOM 327 CG2 VAL A 23 1.516 -2.248 7.385 1.00 14.34 C ATOM 0 H VAL A 23 -0.950 -2.142 8.716 1.00 2.33 H new ATOM 0 HA VAL A 23 -1.507 -3.086 6.024 1.00 1.11 H new ATOM 0 HB VAL A 23 1.014 -3.622 5.836 1.00 21.22 H new ATOM 0 HG11 VAL A 23 1.357 -1.486 4.673 1.00 53.31 H new ATOM 0 HG12 VAL A 23 -0.270 -2.129 4.349 1.00 53.31 H new ATOM 0 HG13 VAL A 23 -0.055 -0.790 5.502 1.00 53.31 H new ATOM 0 HG21 VAL A 23 2.497 -2.037 6.960 1.00 14.34 H new ATOM 0 HG22 VAL A 23 1.116 -1.343 7.842 1.00 14.34 H new ATOM 0 HG23 VAL A 23 1.608 -3.026 8.143 1.00 14.34 H new ATOM 337 N THR A 24 -0.454 -5.374 6.975 1.00 12.43 N ATOM 338 CA THR A 24 -0.248 -6.621 7.621 1.00 33.03 C ATOM 339 C THR A 24 0.304 -7.517 6.540 1.00 43.44 C ATOM 340 O THR A 24 0.294 -7.139 5.376 1.00 1.40 O ATOM 341 CB THR A 24 -1.539 -7.197 8.261 1.00 22.50 C ATOM 342 OG1 THR A 24 -1.303 -8.416 8.970 1.00 71.51 O ATOM 343 CG2 THR A 24 -2.649 -7.375 7.195 1.00 41.23 C ATOM 0 H THR A 24 -0.386 -5.410 5.958 1.00 12.43 H new ATOM 0 HA THR A 24 0.433 -6.525 8.467 1.00 33.03 H new ATOM 0 HB THR A 24 -1.881 -6.470 8.998 1.00 22.50 H new ATOM 0 HG1 THR A 24 -2.144 -8.738 9.356 1.00 71.51 H new ATOM 0 HG21 THR A 24 -3.545 -7.780 7.666 1.00 41.23 H new ATOM 0 HG22 THR A 24 -2.880 -6.409 6.746 1.00 41.23 H new ATOM 0 HG23 THR A 24 -2.304 -8.061 6.422 1.00 41.23 H new ATOM 351 N GLY A 25 0.819 -8.703 6.913 1.00 23.34 N ATOM 352 CA GLY A 25 1.373 -9.632 5.948 1.00 34.44 C ATOM 353 C GLY A 25 2.786 -9.240 5.661 1.00 51.13 C ATOM 354 O GLY A 25 3.534 -8.825 6.561 1.00 12.01 O ATOM 0 H GLY A 25 0.857 -9.028 7.879 1.00 23.34 H new ATOM 0 HA2 GLY A 25 1.335 -10.649 6.338 1.00 34.44 H new ATOM 0 HA3 GLY A 25 0.784 -9.620 5.031 1.00 34.44 H new ATOM 358 N GLY A 26 3.192 -9.365 4.378 1.00 32.12 N ATOM 359 CA GLY A 26 4.496 -8.910 3.950 1.00 61.24 C ATOM 360 C GLY A 26 5.404 -10.065 3.867 1.00 14.13 C ATOM 361 O GLY A 26 5.809 -10.479 2.783 1.00 61.40 O ATOM 0 H GLY A 26 2.625 -9.778 3.638 1.00 32.12 H new ATOM 0 HA2 GLY A 26 4.423 -8.418 2.980 1.00 61.24 H new ATOM 0 HA3 GLY A 26 4.887 -8.174 4.652 1.00 61.24 H new ATOM 365 N VAL A 27 5.773 -10.627 5.042 1.00 24.31 N ATOM 366 CA VAL A 27 6.797 -11.659 5.127 1.00 71.23 C ATOM 367 C VAL A 27 6.212 -12.997 4.670 1.00 74.14 C ATOM 368 O VAL A 27 6.807 -14.045 4.851 1.00 54.33 O ATOM 369 CB VAL A 27 7.345 -11.791 6.554 1.00 43.44 C ATOM 370 CG1 VAL A 27 8.772 -12.370 6.485 1.00 54.01 C ATOM 371 CG2 VAL A 27 7.316 -10.405 7.204 1.00 44.21 C ATOM 0 H VAL A 27 5.365 -10.371 5.941 1.00 24.31 H new ATOM 0 HA VAL A 27 7.624 -11.373 4.477 1.00 71.23 H new ATOM 0 HB VAL A 27 6.741 -12.468 7.159 1.00 43.44 H new ATOM 0 HG11 VAL A 27 9.174 -12.469 7.493 1.00 54.01 H new ATOM 0 HG12 VAL A 27 8.745 -13.349 6.008 1.00 54.01 H new ATOM 0 HG13 VAL A 27 9.408 -11.701 5.905 1.00 54.01 H new ATOM 0 HG21 VAL A 27 7.701 -10.472 8.221 1.00 44.21 H new ATOM 0 HG22 VAL A 27 7.935 -9.719 6.626 1.00 44.21 H new ATOM 0 HG23 VAL A 27 6.291 -10.036 7.228 1.00 44.21 H new ATOM 381 N ASN A 28 5.031 -12.932 4.042 1.00 23.22 N ATOM 382 CA ASN A 28 4.331 -14.094 3.449 1.00 14.24 C ATOM 383 C ASN A 28 3.650 -14.869 4.534 1.00 65.23 C ATOM 384 O ASN A 28 3.056 -15.920 4.276 1.00 4.23 O ATOM 385 CB ASN A 28 5.188 -15.079 2.565 1.00 51.53 C ATOM 386 CG ASN A 28 5.608 -14.425 1.223 1.00 61.25 C ATOM 387 OD1 ASN A 28 6.164 -15.100 0.352 1.00 63.51 O ATOM 388 ND2 ASN A 28 5.344 -13.115 1.021 1.00 54.24 N ATOM 0 H ASN A 28 4.520 -12.057 3.926 1.00 23.22 H new ATOM 0 HA ASN A 28 3.630 -13.648 2.744 1.00 14.24 H new ATOM 0 HB2 ASN A 28 6.078 -15.383 3.116 1.00 51.53 H new ATOM 0 HB3 ASN A 28 4.613 -15.983 2.365 1.00 51.53 H new ATOM 0 HD21 ASN A 28 5.605 -12.672 0.140 1.00 54.24 H new ATOM 0 HD22 ASN A 28 4.884 -12.569 1.750 1.00 54.24 H new ATOM 395 N THR A 29 3.679 -14.319 5.769 1.00 0.15 N ATOM 396 CA THR A 29 2.858 -14.772 6.889 1.00 74.23 C ATOM 397 C THR A 29 1.332 -14.820 6.500 1.00 11.13 C ATOM 398 O THR A 29 0.973 -14.736 5.335 1.00 55.51 O ATOM 399 CB THR A 29 3.122 -13.958 8.180 1.00 73.45 C ATOM 400 OG1 THR A 29 2.504 -14.541 9.335 1.00 24.33 O ATOM 401 CG2 THR A 29 2.657 -12.497 7.984 1.00 42.43 C ATOM 0 H THR A 29 4.287 -13.536 6.008 1.00 0.15 H new ATOM 0 HA THR A 29 3.158 -15.795 7.118 1.00 74.23 H new ATOM 0 HB THR A 29 4.196 -13.974 8.364 1.00 73.45 H new ATOM 0 HG1 THR A 29 2.701 -13.993 10.123 1.00 24.33 H new ATOM 0 HG21 THR A 29 2.845 -11.930 8.896 1.00 42.43 H new ATOM 0 HG22 THR A 29 3.207 -12.048 7.157 1.00 42.43 H new ATOM 0 HG23 THR A 29 1.590 -12.482 7.761 1.00 42.43 H new ATOM 409 N SER A 30 0.468 -15.040 7.535 1.00 74.22 N ATOM 410 CA SER A 30 -0.940 -15.486 7.452 1.00 71.43 C ATOM 411 C SER A 30 -1.703 -15.045 6.198 1.00 75.34 C ATOM 412 O SER A 30 -2.434 -15.858 5.612 1.00 21.53 O ATOM 413 CB SER A 30 -1.756 -15.029 8.681 1.00 53.03 C ATOM 414 OG SER A 30 -1.063 -15.370 9.896 1.00 64.14 O ATOM 0 H SER A 30 0.762 -14.900 8.502 1.00 74.22 H new ATOM 0 HA SER A 30 -0.849 -16.571 7.411 1.00 71.43 H new ATOM 0 HB2 SER A 30 -1.919 -13.952 8.638 1.00 53.03 H new ATOM 0 HB3 SER A 30 -2.738 -15.501 8.670 1.00 53.03 H new ATOM 0 HG SER A 30 -1.590 -15.073 10.667 1.00 64.14 H new ATOM 420 N VAL A 31 -1.579 -13.760 5.787 1.00 51.41 N ATOM 421 CA VAL A 31 -2.392 -13.237 4.689 1.00 14.03 C ATOM 422 C VAL A 31 -2.190 -14.071 3.420 1.00 5.23 C ATOM 423 O VAL A 31 -1.068 -14.448 3.067 1.00 10.45 O ATOM 424 CB VAL A 31 -2.193 -11.771 4.395 1.00 25.55 C ATOM 425 CG1 VAL A 31 -2.609 -10.974 5.647 1.00 72.31 C ATOM 426 CG2 VAL A 31 -0.731 -11.525 3.981 1.00 42.45 C ATOM 0 H VAL A 31 -0.933 -13.086 6.198 1.00 51.41 H new ATOM 0 HA VAL A 31 -3.423 -13.325 5.032 1.00 14.03 H new ATOM 0 HB VAL A 31 -2.812 -11.438 3.562 1.00 25.55 H new ATOM 0 HG11 VAL A 31 -2.475 -9.908 5.461 1.00 72.31 H new ATOM 0 HG12 VAL A 31 -3.656 -11.174 5.874 1.00 72.31 H new ATOM 0 HG13 VAL A 31 -1.991 -11.276 6.492 1.00 72.31 H new ATOM 0 HG21 VAL A 31 -0.586 -10.466 3.768 1.00 42.45 H new ATOM 0 HG22 VAL A 31 -0.068 -11.826 4.792 1.00 42.45 H new ATOM 0 HG23 VAL A 31 -0.502 -12.109 3.089 1.00 42.45 H new ATOM 436 N ARG A 32 -3.334 -14.436 2.780 1.00 41.51 N ATOM 437 CA ARG A 32 -3.375 -15.416 1.701 1.00 42.44 C ATOM 438 C ARG A 32 -2.350 -15.138 0.620 1.00 61.13 C ATOM 439 O ARG A 32 -1.534 -16.002 0.306 1.00 71.10 O ATOM 440 CB ARG A 32 -4.767 -15.579 1.046 1.00 42.13 C ATOM 441 CG ARG A 32 -4.839 -16.817 0.135 1.00 50.14 C ATOM 442 CD ARG A 32 -6.228 -17.082 -0.463 1.00 53.44 C ATOM 443 NE ARG A 32 -6.619 -15.903 -1.300 1.00 10.51 N ATOM 444 CZ ARG A 32 -6.325 -15.810 -2.656 1.00 24.10 C ATOM 445 NH1 ARG A 32 -5.572 -16.766 -3.287 1.00 12.33 N ATOM 446 NH2 ARG A 32 -6.796 -14.753 -3.365 1.00 73.54 N ATOM 0 H ARG A 32 -4.248 -14.047 3.012 1.00 41.51 H new ATOM 0 HA ARG A 32 -3.131 -16.355 2.198 1.00 42.44 H new ATOM 0 HB2 ARG A 32 -5.526 -15.658 1.824 1.00 42.13 H new ATOM 0 HB3 ARG A 32 -4.999 -14.687 0.464 1.00 42.13 H new ATOM 0 HG2 ARG A 32 -4.123 -16.697 -0.678 1.00 50.14 H new ATOM 0 HG3 ARG A 32 -4.529 -17.692 0.706 1.00 50.14 H new ATOM 0 HD2 ARG A 32 -6.213 -17.988 -1.069 1.00 53.44 H new ATOM 0 HD3 ARG A 32 -6.958 -17.242 0.331 1.00 53.44 H new ATOM 0 HE ARG A 32 -7.123 -15.135 -0.856 1.00 10.51 H new ATOM 0 HH11 ARG A 32 -5.216 -17.564 -2.761 1.00 12.33 H new ATOM 0 HH12 ARG A 32 -5.368 -16.679 -4.283 1.00 12.33 H new ATOM 0 HH21 ARG A 32 -7.358 -14.039 -2.903 1.00 73.54 H new ATOM 0 HH22 ARG A 32 -6.588 -14.673 -4.360 1.00 73.54 H new ATOM 460 N HIS A 33 -2.391 -13.939 -0.004 1.00 14.11 N ATOM 461 CA HIS A 33 -1.540 -13.694 -1.175 1.00 31.03 C ATOM 462 C HIS A 33 -0.100 -13.542 -0.730 1.00 44.40 C ATOM 463 O HIS A 33 0.808 -13.764 -1.511 1.00 42.22 O ATOM 464 CB HIS A 33 -1.948 -12.426 -1.974 1.00 5.32 C ATOM 465 CG HIS A 33 -1.270 -12.285 -3.327 1.00 72.12 C ATOM 466 ND1 HIS A 33 -1.374 -13.234 -4.296 1.00 52.11 N ATOM 467 CD2 HIS A 33 -0.559 -11.262 -3.854 1.00 51.15 C ATOM 468 CE1 HIS A 33 -0.737 -12.806 -5.378 1.00 40.42 C ATOM 469 NE2 HIS A 33 -0.238 -11.609 -5.128 1.00 3.25 N ATOM 0 H HIS A 33 -2.983 -13.157 0.275 1.00 14.11 H new ATOM 0 HA HIS A 33 -1.664 -14.552 -1.835 1.00 31.03 H new ATOM 0 HB2 HIS A 33 -3.028 -12.438 -2.123 1.00 5.32 H new ATOM 0 HB3 HIS A 33 -1.719 -11.545 -1.374 1.00 5.32 H new ATOM 0 HD2 HIS A 33 -0.296 -10.341 -3.355 1.00 51.15 H new ATOM 0 HE1 HIS A 33 -0.642 -13.346 -6.308 1.00 40.42 H new ATOM 0 HE2 HIS A 33 0.299 -11.040 -5.782 1.00 3.25 H new ATOM 478 N GLY A 34 0.135 -13.215 0.568 1.00 45.42 N ATOM 479 CA GLY A 34 1.492 -13.201 1.113 1.00 60.21 C ATOM 480 C GLY A 34 2.013 -11.790 1.115 1.00 34.41 C ATOM 481 O GLY A 34 3.009 -11.484 1.768 1.00 54.25 O ATOM 0 H GLY A 34 -0.594 -12.963 1.236 1.00 45.42 H new ATOM 0 HA2 GLY A 34 1.493 -13.603 2.126 1.00 60.21 H new ATOM 0 HA3 GLY A 34 2.143 -13.840 0.516 1.00 60.21 H new ATOM 485 N GLY A 35 1.337 -10.910 0.381 1.00 11.42 N ATOM 486 CA GLY A 35 1.768 -9.536 0.193 1.00 3.45 C ATOM 487 C GLY A 35 1.447 -8.752 1.420 1.00 43.20 C ATOM 488 O GLY A 35 0.915 -9.278 2.394 1.00 61.41 O ATOM 0 H GLY A 35 0.468 -11.137 -0.102 1.00 11.42 H new ATOM 0 HA2 GLY A 35 2.839 -9.502 -0.006 1.00 3.45 H new ATOM 0 HA3 GLY A 35 1.269 -9.100 -0.673 1.00 3.45 H new ATOM 492 N ILE A 36 1.771 -7.445 1.386 1.00 35.45 N ATOM 493 CA ILE A 36 1.372 -6.557 2.390 1.00 10.12 C ATOM 494 C ILE A 36 -0.028 -6.221 2.004 1.00 53.11 C ATOM 495 O ILE A 36 -0.263 -5.804 0.877 1.00 51.34 O ATOM 496 CB ILE A 36 2.209 -5.285 2.350 1.00 60.40 C ATOM 497 CG1 ILE A 36 3.608 -5.566 2.910 1.00 65.33 C ATOM 498 CG2 ILE A 36 1.482 -4.144 3.087 1.00 11.31 C ATOM 499 CD1 ILE A 36 3.607 -5.813 4.393 1.00 32.03 C ATOM 0 H ILE A 36 2.320 -7.016 0.641 1.00 35.45 H new ATOM 0 HA ILE A 36 1.476 -6.981 3.389 1.00 10.12 H new ATOM 0 HB ILE A 36 2.338 -4.956 1.319 1.00 60.40 H new ATOM 0 HG12 ILE A 36 4.029 -6.434 2.403 1.00 65.33 H new ATOM 0 HG13 ILE A 36 4.259 -4.720 2.688 1.00 65.33 H new ATOM 0 HG21 ILE A 36 2.091 -3.241 3.051 1.00 11.31 H new ATOM 0 HG22 ILE A 36 0.522 -3.954 2.606 1.00 11.31 H new ATOM 0 HG23 ILE A 36 1.317 -4.429 4.126 1.00 11.31 H new ATOM 0 HD11 ILE A 36 4.625 -6.006 4.730 1.00 32.03 H new ATOM 0 HD12 ILE A 36 3.214 -4.936 4.908 1.00 32.03 H new ATOM 0 HD13 ILE A 36 2.981 -6.676 4.618 1.00 32.03 H new ATOM 511 N TYR A 37 -0.997 -6.424 2.902 1.00 15.33 N ATOM 512 CA TYR A 37 -2.357 -6.082 2.600 1.00 73.24 C ATOM 513 C TYR A 37 -2.552 -4.807 3.282 1.00 72.14 C ATOM 514 O TYR A 37 -1.952 -4.571 4.333 1.00 22.10 O ATOM 515 CB TYR A 37 -3.420 -7.042 3.237 1.00 21.22 C ATOM 516 CG TYR A 37 -3.632 -8.285 2.401 1.00 41.10 C ATOM 517 CD1 TYR A 37 -2.550 -9.012 1.830 1.00 61.22 C ATOM 518 CD2 TYR A 37 -4.948 -8.768 2.202 1.00 33.04 C ATOM 519 CE1 TYR A 37 -2.796 -10.173 1.076 1.00 21.21 C ATOM 520 CE2 TYR A 37 -5.188 -9.919 1.451 1.00 53.43 C ATOM 521 CZ TYR A 37 -4.121 -10.625 0.886 1.00 30.34 C ATOM 522 OH TYR A 37 -4.373 -11.776 0.118 1.00 54.32 O ATOM 0 H TYR A 37 -0.850 -6.820 3.830 1.00 15.33 H new ATOM 0 HA TYR A 37 -2.493 -6.105 1.519 1.00 73.24 H new ATOM 0 HB2 TYR A 37 -3.097 -7.329 4.238 1.00 21.22 H new ATOM 0 HB3 TYR A 37 -4.367 -6.513 3.347 1.00 21.22 H new ATOM 0 HD1 TYR A 37 -1.536 -8.671 1.976 1.00 61.22 H new ATOM 0 HD2 TYR A 37 -5.780 -8.236 2.639 1.00 33.04 H new ATOM 0 HE1 TYR A 37 -1.972 -10.719 0.642 1.00 21.21 H new ATOM 0 HE2 TYR A 37 -6.200 -10.266 1.306 1.00 53.43 H new ATOM 0 HH TYR A 37 -5.338 -11.946 0.090 1.00 54.32 H new ATOM 532 N VAL A 38 -3.428 -3.955 2.747 1.00 22.04 N ATOM 533 CA VAL A 38 -3.812 -2.785 3.449 1.00 52.33 C ATOM 534 C VAL A 38 -4.851 -3.249 4.450 1.00 11.13 C ATOM 535 O VAL A 38 -5.993 -3.569 4.104 1.00 64.20 O ATOM 536 CB VAL A 38 -4.388 -1.714 2.543 1.00 60.43 C ATOM 537 CG1 VAL A 38 -4.825 -0.520 3.397 1.00 60.41 C ATOM 538 CG2 VAL A 38 -3.295 -1.336 1.512 1.00 30.44 C ATOM 0 H VAL A 38 -3.868 -4.074 1.835 1.00 22.04 H new ATOM 0 HA VAL A 38 -2.946 -2.321 3.920 1.00 52.33 H new ATOM 0 HB VAL A 38 -5.269 -2.063 2.004 1.00 60.43 H new ATOM 0 HG11 VAL A 38 -5.241 0.255 2.753 1.00 60.41 H new ATOM 0 HG12 VAL A 38 -5.582 -0.842 4.112 1.00 60.41 H new ATOM 0 HG13 VAL A 38 -3.964 -0.122 3.934 1.00 60.41 H new ATOM 0 HG21 VAL A 38 -3.677 -0.565 0.842 1.00 30.44 H new ATOM 0 HG22 VAL A 38 -2.416 -0.959 2.035 1.00 30.44 H new ATOM 0 HG23 VAL A 38 -3.021 -2.217 0.932 1.00 30.44 H new ATOM 548 N LYS A 39 -4.406 -3.362 5.709 1.00 64.12 N ATOM 549 CA LYS A 39 -5.204 -3.948 6.761 1.00 65.32 C ATOM 550 C LYS A 39 -6.326 -3.019 7.131 1.00 71.24 C ATOM 551 O LYS A 39 -7.399 -3.466 7.501 1.00 51.05 O ATOM 552 CB LYS A 39 -4.375 -4.219 8.047 1.00 72.40 C ATOM 553 CG LYS A 39 -5.103 -5.090 9.077 1.00 43.04 C ATOM 554 CD LYS A 39 -4.375 -5.202 10.422 1.00 1.10 C ATOM 555 CE LYS A 39 -5.206 -5.919 11.505 1.00 43.42 C ATOM 556 NZ LYS A 39 -6.409 -5.127 11.861 1.00 1.34 N ATOM 0 H LYS A 39 -3.484 -3.047 6.012 1.00 64.12 H new ATOM 0 HA LYS A 39 -5.582 -4.895 6.376 1.00 65.32 H new ATOM 0 HB2 LYS A 39 -3.439 -4.705 7.770 1.00 72.40 H new ATOM 0 HB3 LYS A 39 -4.115 -3.266 8.509 1.00 72.40 H new ATOM 0 HG2 LYS A 39 -6.098 -4.679 9.247 1.00 43.04 H new ATOM 0 HG3 LYS A 39 -5.237 -6.089 8.663 1.00 43.04 H new ATOM 0 HD2 LYS A 39 -3.438 -5.740 10.277 1.00 1.10 H new ATOM 0 HD3 LYS A 39 -4.118 -4.203 10.773 1.00 1.10 H new ATOM 0 HE2 LYS A 39 -5.507 -6.903 11.146 1.00 43.42 H new ATOM 0 HE3 LYS A 39 -4.594 -6.077 12.393 1.00 43.42 H new ATOM 0 HZ1 LYS A 39 -6.821 -5.498 12.741 1.00 1.34 H new ATOM 0 HZ2 LYS A 39 -6.141 -4.131 11.996 1.00 1.34 H new ATOM 0 HZ3 LYS A 39 -7.109 -5.196 11.095 1.00 1.34 H new ATOM 570 N ALA A 40 -6.111 -1.714 7.047 1.00 22.31 N ATOM 571 CA ALA A 40 -7.152 -0.807 7.443 1.00 43.11 C ATOM 572 C ALA A 40 -6.885 0.453 6.747 1.00 53.21 C ATOM 573 O ALA A 40 -5.727 0.788 6.495 1.00 50.31 O ATOM 574 CB ALA A 40 -7.186 -0.502 8.955 1.00 71.21 C ATOM 0 H ALA A 40 -5.249 -1.279 6.717 1.00 22.31 H new ATOM 0 HA ALA A 40 -8.108 -1.268 7.196 1.00 43.11 H new ATOM 0 HB1 ALA A 40 -8.001 0.190 9.168 1.00 71.21 H new ATOM 0 HB2 ALA A 40 -7.341 -1.427 9.509 1.00 71.21 H new ATOM 0 HB3 ALA A 40 -6.240 -0.053 9.257 1.00 71.21 H new ATOM 580 N VAL A 41 -7.953 1.189 6.403 1.00 34.45 N ATOM 581 CA VAL A 41 -7.814 2.482 5.835 1.00 60.34 C ATOM 582 C VAL A 41 -8.716 3.327 6.684 1.00 11.33 C ATOM 583 O VAL A 41 -9.850 2.927 6.973 1.00 21.15 O ATOM 584 CB VAL A 41 -8.300 2.560 4.379 1.00 64.10 C ATOM 585 CG1 VAL A 41 -7.981 3.955 3.804 1.00 30.21 C ATOM 586 CG2 VAL A 41 -7.630 1.432 3.574 1.00 51.10 C ATOM 0 H VAL A 41 -8.918 0.882 6.521 1.00 34.45 H new ATOM 0 HA VAL A 41 -6.768 2.788 5.815 1.00 60.34 H new ATOM 0 HB VAL A 41 -9.380 2.424 4.321 1.00 64.10 H new ATOM 0 HG11 VAL A 41 -8.326 4.010 2.771 1.00 30.21 H new ATOM 0 HG12 VAL A 41 -8.487 4.717 4.397 1.00 30.21 H new ATOM 0 HG13 VAL A 41 -6.905 4.125 3.837 1.00 30.21 H new ATOM 0 HG21 VAL A 41 -7.966 1.475 2.538 1.00 51.10 H new ATOM 0 HG22 VAL A 41 -6.547 1.553 3.610 1.00 51.10 H new ATOM 0 HG23 VAL A 41 -7.902 0.468 4.004 1.00 51.10 H new ATOM 596 N ILE A 42 -8.226 4.491 7.128 1.00 23.51 N ATOM 597 CA ILE A 42 -9.035 5.421 7.898 1.00 52.43 C ATOM 598 C ILE A 42 -9.870 6.191 6.901 1.00 43.41 C ATOM 599 O ILE A 42 -9.493 6.319 5.732 1.00 22.23 O ATOM 600 CB ILE A 42 -8.221 6.381 8.788 1.00 60.35 C ATOM 601 CG1 ILE A 42 -7.439 7.465 7.989 1.00 11.33 C ATOM 602 CG2 ILE A 42 -7.334 5.521 9.700 1.00 20.24 C ATOM 603 CD1 ILE A 42 -6.448 6.915 6.985 1.00 54.04 C ATOM 0 H ILE A 42 -7.270 4.804 6.962 1.00 23.51 H new ATOM 0 HA ILE A 42 -9.646 4.855 8.601 1.00 52.43 H new ATOM 0 HB ILE A 42 -8.899 6.979 9.398 1.00 60.35 H new ATOM 0 HG12 ILE A 42 -8.155 8.098 7.464 1.00 11.33 H new ATOM 0 HG13 ILE A 42 -6.906 8.103 8.694 1.00 11.33 H new ATOM 0 HG21 ILE A 42 -6.741 6.168 10.346 1.00 20.24 H new ATOM 0 HG22 ILE A 42 -7.962 4.873 10.312 1.00 20.24 H new ATOM 0 HG23 ILE A 42 -6.669 4.910 9.090 1.00 20.24 H new ATOM 0 HD11 ILE A 42 -5.950 7.740 6.476 1.00 54.04 H new ATOM 0 HD12 ILE A 42 -5.706 6.307 7.502 1.00 54.04 H new ATOM 0 HD13 ILE A 42 -6.974 6.301 6.253 1.00 54.04 H new ATOM 615 N PRO A 43 -11.053 6.675 7.324 1.00 32.15 N ATOM 616 CA PRO A 43 -11.954 7.350 6.425 1.00 21.35 C ATOM 617 C PRO A 43 -11.401 8.691 6.235 1.00 42.52 C ATOM 618 O PRO A 43 -10.486 9.066 6.994 1.00 71.42 O ATOM 619 CB PRO A 43 -13.237 7.495 7.237 1.00 11.32 C ATOM 620 CG PRO A 43 -12.701 7.709 8.644 1.00 3.34 C ATOM 621 CD PRO A 43 -11.558 6.674 8.708 1.00 25.43 C ATOM 0 HA PRO A 43 -12.105 6.845 5.471 1.00 21.35 H new ATOM 0 HB2 PRO A 43 -13.841 8.337 6.898 1.00 11.32 H new ATOM 0 HB3 PRO A 43 -13.864 6.606 7.171 1.00 11.32 H new ATOM 0 HG2 PRO A 43 -12.340 8.727 8.793 1.00 3.34 H new ATOM 0 HG3 PRO A 43 -13.461 7.526 9.403 1.00 3.34 H new ATOM 0 HD2 PRO A 43 -10.787 6.964 9.422 1.00 25.43 H new ATOM 0 HD3 PRO A 43 -11.917 5.690 9.009 1.00 25.43 H new ATOM 629 N GLN A 44 -11.980 9.465 5.317 1.00 32.54 N ATOM 630 CA GLN A 44 -11.760 10.894 5.277 1.00 44.44 C ATOM 631 C GLN A 44 -10.313 11.241 4.925 1.00 11.52 C ATOM 632 O GLN A 44 -9.964 12.412 4.784 1.00 54.33 O ATOM 633 CB GLN A 44 -12.205 11.571 6.608 1.00 13.42 C ATOM 634 CG GLN A 44 -13.736 11.554 6.787 1.00 34.34 C ATOM 635 CD GLN A 44 -14.065 12.031 8.190 1.00 24.44 C ATOM 636 OE1 GLN A 44 -14.767 11.344 8.947 1.00 10.50 O ATOM 637 NE2 GLN A 44 -13.561 13.215 8.559 1.00 11.34 N ATOM 0 H GLN A 44 -12.606 9.116 4.592 1.00 32.54 H new ATOM 0 HA GLN A 44 -12.384 11.294 4.478 1.00 44.44 H new ATOM 0 HB2 GLN A 44 -11.737 11.058 7.448 1.00 13.42 H new ATOM 0 HB3 GLN A 44 -11.850 12.602 6.626 1.00 13.42 H new ATOM 0 HG2 GLN A 44 -14.211 12.199 6.047 1.00 34.34 H new ATOM 0 HG3 GLN A 44 -14.124 10.548 6.629 1.00 34.34 H new ATOM 0 HE21 GLN A 44 -12.988 13.751 7.907 1.00 11.34 H new ATOM 0 HE22 GLN A 44 -13.750 13.581 9.492 1.00 11.34 H new ATOM 646 N GLY A 45 -9.468 10.226 4.744 1.00 41.53 N ATOM 647 CA GLY A 45 -8.089 10.434 4.406 1.00 1.02 C ATOM 648 C GLY A 45 -7.975 10.329 2.933 1.00 30.53 C ATOM 649 O GLY A 45 -8.964 10.100 2.235 1.00 63.34 O ATOM 0 H GLY A 45 -9.734 9.245 4.831 1.00 41.53 H new ATOM 0 HA2 GLY A 45 -7.753 11.413 4.748 1.00 1.02 H new ATOM 0 HA3 GLY A 45 -7.458 9.691 4.894 1.00 1.02 H new ATOM 653 N ALA A 46 -6.739 10.479 2.428 1.00 42.12 N ATOM 654 CA ALA A 46 -6.487 10.526 0.997 1.00 61.23 C ATOM 655 C ALA A 46 -6.825 9.183 0.415 1.00 20.25 C ATOM 656 O ALA A 46 -7.600 9.088 -0.511 1.00 11.22 O ATOM 657 CB ALA A 46 -5.018 10.839 0.654 1.00 62.00 C ATOM 0 H ALA A 46 -5.901 10.569 3.002 1.00 42.12 H new ATOM 0 HA ALA A 46 -7.101 11.326 0.583 1.00 61.23 H new ATOM 0 HB1 ALA A 46 -4.894 10.860 -0.429 1.00 62.00 H new ATOM 0 HB2 ALA A 46 -4.746 11.809 1.070 1.00 62.00 H new ATOM 0 HB3 ALA A 46 -4.373 10.069 1.078 1.00 62.00 H new ATOM 663 N ALA A 47 -6.237 8.108 0.998 1.00 32.52 N ATOM 664 CA ALA A 47 -6.411 6.747 0.474 1.00 1.35 C ATOM 665 C ALA A 47 -7.885 6.408 0.329 1.00 75.22 C ATOM 666 O ALA A 47 -8.318 5.978 -0.739 1.00 41.33 O ATOM 667 CB ALA A 47 -5.770 5.681 1.386 1.00 42.34 C ATOM 0 H ALA A 47 -5.644 8.166 1.826 1.00 32.52 H new ATOM 0 HA ALA A 47 -5.915 6.733 -0.496 1.00 1.35 H new ATOM 0 HB1 ALA A 47 -5.926 4.692 0.955 1.00 42.34 H new ATOM 0 HB2 ALA A 47 -4.701 5.874 1.475 1.00 42.34 H new ATOM 0 HB3 ALA A 47 -6.230 5.723 2.373 1.00 42.34 H new ATOM 673 N GLU A 48 -8.689 6.628 1.389 1.00 75.41 N ATOM 674 CA GLU A 48 -10.124 6.353 1.331 1.00 41.31 C ATOM 675 C GLU A 48 -10.771 7.246 0.290 1.00 4.44 C ATOM 676 O GLU A 48 -11.461 6.771 -0.610 1.00 21.41 O ATOM 677 CB GLU A 48 -10.833 6.630 2.685 1.00 64.22 C ATOM 678 CG GLU A 48 -12.349 6.382 2.657 1.00 2.21 C ATOM 679 CD GLU A 48 -12.587 4.919 2.422 1.00 33.43 C ATOM 680 OE1 GLU A 48 -12.512 4.138 3.394 1.00 4.55 O ATOM 681 OE2 GLU A 48 -12.850 4.530 1.262 1.00 74.45 O ATOM 0 H GLU A 48 -8.365 6.992 2.285 1.00 75.41 H new ATOM 0 HA GLU A 48 -10.233 5.297 1.082 1.00 41.31 H new ATOM 0 HB2 GLU A 48 -10.386 5.999 3.454 1.00 64.22 H new ATOM 0 HB3 GLU A 48 -10.649 7.665 2.975 1.00 64.22 H new ATOM 0 HG2 GLU A 48 -12.801 6.693 3.599 1.00 2.21 H new ATOM 0 HG3 GLU A 48 -12.815 6.973 1.869 1.00 2.21 H new ATOM 688 N SER A 49 -10.576 8.571 0.433 1.00 20.12 N ATOM 689 CA SER A 49 -11.278 9.569 -0.366 1.00 13.32 C ATOM 690 C SER A 49 -11.015 9.351 -1.848 1.00 41.23 C ATOM 691 O SER A 49 -11.880 9.635 -2.691 1.00 5.42 O ATOM 692 CB SER A 49 -10.839 11.019 -0.004 1.00 23.30 C ATOM 693 OG SER A 49 -11.698 11.993 -0.615 1.00 64.21 O ATOM 0 H SER A 49 -9.925 8.970 1.109 1.00 20.12 H new ATOM 0 HA SER A 49 -12.339 9.452 -0.146 1.00 13.32 H new ATOM 0 HB2 SER A 49 -10.854 11.146 1.078 1.00 23.30 H new ATOM 0 HB3 SER A 49 -9.812 11.182 -0.330 1.00 23.30 H new ATOM 0 HG SER A 49 -11.399 12.893 -0.369 1.00 64.21 H new ATOM 699 N ASP A 50 -9.820 8.861 -2.195 1.00 21.15 N ATOM 700 CA ASP A 50 -9.439 8.775 -3.595 1.00 43.12 C ATOM 701 C ASP A 50 -10.031 7.510 -4.156 1.00 62.40 C ATOM 702 O ASP A 50 -10.391 7.444 -5.323 1.00 4.14 O ATOM 703 CB ASP A 50 -7.915 8.768 -3.821 1.00 61.54 C ATOM 704 CG ASP A 50 -7.626 9.586 -5.060 1.00 24.21 C ATOM 705 OD1 ASP A 50 -7.885 9.111 -6.178 1.00 25.10 O ATOM 706 OD2 ASP A 50 -7.179 10.743 -4.907 1.00 55.32 O ATOM 0 H ASP A 50 -9.118 8.526 -1.536 1.00 21.15 H new ATOM 0 HA ASP A 50 -9.817 9.665 -4.098 1.00 43.12 H new ATOM 0 HB2 ASP A 50 -7.399 9.188 -2.957 1.00 61.54 H new ATOM 0 HB3 ASP A 50 -7.552 7.748 -3.944 1.00 61.54 H new ATOM 711 N GLY A 51 -10.198 6.482 -3.291 1.00 34.44 N ATOM 712 CA GLY A 51 -10.925 5.276 -3.676 1.00 64.05 C ATOM 713 C GLY A 51 -10.065 4.400 -4.525 1.00 61.44 C ATOM 714 O GLY A 51 -10.548 3.451 -5.135 1.00 44.34 O ATOM 0 H GLY A 51 -9.840 6.474 -2.336 1.00 34.44 H new ATOM 0 HA2 GLY A 51 -11.240 4.733 -2.785 1.00 64.05 H new ATOM 0 HA3 GLY A 51 -11.829 5.547 -4.221 1.00 64.05 H new ATOM 718 N ARG A 52 -8.750 4.676 -4.575 1.00 30.13 N ATOM 719 CA ARG A 52 -7.858 3.874 -5.388 1.00 11.21 C ATOM 720 C ARG A 52 -7.193 2.906 -4.468 1.00 41.01 C ATOM 721 O ARG A 52 -6.281 2.193 -4.855 1.00 1.21 O ATOM 722 CB ARG A 52 -6.769 4.702 -6.093 1.00 31.31 C ATOM 723 CG ARG A 52 -7.358 5.817 -6.961 1.00 72.54 C ATOM 724 CD ARG A 52 -6.308 6.575 -7.794 1.00 62.42 C ATOM 725 NE ARG A 52 -6.962 7.835 -8.287 1.00 0.40 N ATOM 726 CZ ARG A 52 -6.943 8.250 -9.612 1.00 41.23 C ATOM 727 NH1 ARG A 52 -6.442 7.452 -10.605 1.00 23.41 N ATOM 728 NH2 ARG A 52 -7.444 9.468 -9.929 1.00 54.14 N ATOM 0 H ARG A 52 -8.300 5.437 -4.067 1.00 30.13 H new ATOM 0 HA ARG A 52 -8.443 3.392 -6.171 1.00 11.21 H new ATOM 0 HB2 ARG A 52 -6.106 5.138 -5.346 1.00 31.31 H new ATOM 0 HB3 ARG A 52 -6.160 4.044 -6.714 1.00 31.31 H new ATOM 0 HG2 ARG A 52 -8.101 5.388 -7.633 1.00 72.54 H new ATOM 0 HG3 ARG A 52 -7.881 6.526 -6.320 1.00 72.54 H new ATOM 0 HD2 ARG A 52 -5.431 6.807 -7.190 1.00 62.42 H new ATOM 0 HD3 ARG A 52 -5.966 5.965 -8.631 1.00 62.42 H new ATOM 0 HE ARG A 52 -7.449 8.420 -7.608 1.00 0.40 H new ATOM 0 HH11 ARG A 52 -6.071 6.529 -10.379 1.00 23.41 H new ATOM 0 HH12 ARG A 52 -6.440 7.780 -11.571 1.00 23.41 H new ATOM 0 HH21 ARG A 52 -7.829 10.067 -9.199 1.00 54.14 H new ATOM 0 HH22 ARG A 52 -7.437 9.786 -10.898 1.00 54.14 H new ATOM 742 N ILE A 53 -7.644 2.901 -3.207 1.00 20.04 N ATOM 743 CA ILE A 53 -7.071 2.097 -2.194 1.00 1.33 C ATOM 744 C ILE A 53 -8.251 1.666 -1.398 1.00 13.12 C ATOM 745 O ILE A 53 -9.189 2.448 -1.165 1.00 33.44 O ATOM 746 CB ILE A 53 -6.069 2.854 -1.299 1.00 11.31 C ATOM 747 CG1 ILE A 53 -4.810 3.185 -2.116 1.00 72.41 C ATOM 748 CG2 ILE A 53 -5.720 2.014 -0.052 1.00 40.24 C ATOM 749 CD1 ILE A 53 -3.879 4.195 -1.458 1.00 62.20 C ATOM 0 H ILE A 53 -8.427 3.472 -2.888 1.00 20.04 H new ATOM 0 HA ILE A 53 -6.488 1.280 -2.618 1.00 1.33 H new ATOM 0 HB ILE A 53 -6.518 3.785 -0.954 1.00 11.31 H new ATOM 0 HG12 ILE A 53 -4.257 2.263 -2.297 1.00 72.41 H new ATOM 0 HG13 ILE A 53 -5.114 3.570 -3.089 1.00 72.41 H new ATOM 0 HG21 ILE A 53 -5.012 2.562 0.569 1.00 40.24 H new ATOM 0 HG22 ILE A 53 -6.627 1.817 0.519 1.00 40.24 H new ATOM 0 HG23 ILE A 53 -5.274 1.069 -0.363 1.00 40.24 H new ATOM 0 HD11 ILE A 53 -3.018 4.370 -2.103 1.00 62.20 H new ATOM 0 HD12 ILE A 53 -4.412 5.133 -1.302 1.00 62.20 H new ATOM 0 HD13 ILE A 53 -3.541 3.806 -0.498 1.00 62.20 H new ATOM 761 N HIS A 54 -8.239 0.410 -1.012 1.00 33.01 N ATOM 762 CA HIS A 54 -9.299 -0.168 -0.246 1.00 34.13 C ATOM 763 C HIS A 54 -8.631 -1.140 0.631 1.00 42.11 C ATOM 764 O HIS A 54 -7.464 -1.462 0.423 1.00 35.02 O ATOM 765 CB HIS A 54 -10.351 -0.941 -1.088 1.00 21.13 C ATOM 766 CG HIS A 54 -11.139 -0.064 -2.021 1.00 52.51 C ATOM 767 ND1 HIS A 54 -11.862 1.014 -1.583 1.00 74.00 N ATOM 768 CD2 HIS A 54 -11.291 -0.130 -3.354 1.00 54.32 C ATOM 769 CE1 HIS A 54 -12.434 1.587 -2.630 1.00 14.21 C ATOM 770 NE2 HIS A 54 -12.098 0.908 -3.720 1.00 42.15 N ATOM 0 H HIS A 54 -7.482 -0.238 -1.228 1.00 33.01 H new ATOM 0 HA HIS A 54 -9.846 0.627 0.261 1.00 34.13 H new ATOM 0 HB2 HIS A 54 -9.844 -1.711 -1.669 1.00 21.13 H new ATOM 0 HB3 HIS A 54 -11.039 -1.451 -0.414 1.00 21.13 H new ATOM 0 HD2 HIS A 54 -10.856 -0.867 -4.013 1.00 54.32 H new ATOM 0 HE1 HIS A 54 -13.068 2.461 -2.602 1.00 14.21 H new ATOM 0 HE2 HIS A 54 -12.393 1.126 -4.672 1.00 42.15 H new ATOM 779 N LYS A 55 -9.347 -1.636 1.663 1.00 21.20 N ATOM 780 CA LYS A 55 -8.814 -2.679 2.501 1.00 32.43 C ATOM 781 C LYS A 55 -8.720 -3.908 1.665 1.00 23.31 C ATOM 782 O LYS A 55 -9.561 -4.138 0.794 1.00 62.40 O ATOM 783 CB LYS A 55 -9.687 -3.036 3.718 1.00 30.21 C ATOM 784 CG LYS A 55 -9.885 -1.884 4.705 1.00 40.33 C ATOM 785 CD LYS A 55 -10.703 -2.296 5.936 1.00 64.20 C ATOM 786 CE LYS A 55 -12.157 -2.681 5.600 1.00 34.43 C ATOM 787 NZ LYS A 55 -12.888 -3.146 6.792 1.00 62.54 N ATOM 0 H LYS A 55 -10.283 -1.321 1.917 1.00 21.20 H new ATOM 0 HA LYS A 55 -7.861 -2.316 2.886 1.00 32.43 H new ATOM 0 HB2 LYS A 55 -10.663 -3.370 3.366 1.00 30.21 H new ATOM 0 HB3 LYS A 55 -9.233 -3.876 4.243 1.00 30.21 H new ATOM 0 HG2 LYS A 55 -8.911 -1.515 5.027 1.00 40.33 H new ATOM 0 HG3 LYS A 55 -10.387 -1.059 4.199 1.00 40.33 H new ATOM 0 HD2 LYS A 55 -10.214 -3.140 6.423 1.00 64.20 H new ATOM 0 HD3 LYS A 55 -10.708 -1.474 6.652 1.00 64.20 H new ATOM 0 HE2 LYS A 55 -12.671 -1.821 5.171 1.00 34.43 H new ATOM 0 HE3 LYS A 55 -12.160 -3.465 4.843 1.00 34.43 H new ATOM 0 HZ1 LYS A 55 -13.862 -3.396 6.526 1.00 62.54 H new ATOM 0 HZ2 LYS A 55 -12.412 -3.982 7.187 1.00 62.54 H new ATOM 0 HZ3 LYS A 55 -12.907 -2.389 7.505 1.00 62.54 H new ATOM 801 N GLY A 56 -7.709 -4.717 1.915 1.00 32.05 N ATOM 802 CA GLY A 56 -7.593 -5.992 1.248 1.00 21.30 C ATOM 803 C GLY A 56 -6.682 -5.822 0.091 1.00 64.44 C ATOM 804 O GLY A 56 -5.926 -6.740 -0.235 1.00 43.44 O ATOM 0 H GLY A 56 -6.959 -4.511 2.575 1.00 32.05 H new ATOM 0 HA2 GLY A 56 -7.204 -6.746 1.932 1.00 21.30 H new ATOM 0 HA3 GLY A 56 -8.571 -6.338 0.915 1.00 21.30 H new ATOM 808 N ASP A 57 -6.693 -4.609 -0.551 1.00 24.34 N ATOM 809 CA ASP A 57 -5.791 -4.319 -1.662 1.00 15.11 C ATOM 810 C ASP A 57 -4.404 -4.387 -1.124 1.00 31.14 C ATOM 811 O ASP A 57 -4.179 -4.181 0.072 1.00 35.34 O ATOM 812 CB ASP A 57 -6.005 -2.927 -2.330 1.00 13.42 C ATOM 813 CG ASP A 57 -7.352 -2.898 -3.064 1.00 3.45 C ATOM 814 OD1 ASP A 57 -7.949 -3.994 -3.331 1.00 70.44 O ATOM 815 OD2 ASP A 57 -7.821 -1.777 -3.408 1.00 0.12 O ATOM 0 H ASP A 57 -7.317 -3.841 -0.304 1.00 24.34 H new ATOM 0 HA ASP A 57 -5.990 -5.051 -2.445 1.00 15.11 H new ATOM 0 HB2 ASP A 57 -5.977 -2.143 -1.573 1.00 13.42 H new ATOM 0 HB3 ASP A 57 -5.195 -2.722 -3.031 1.00 13.42 H new ATOM 820 N ARG A 58 -3.458 -4.785 -1.975 1.00 0.00 N ATOM 821 CA ARG A 58 -2.172 -5.187 -1.493 1.00 43.42 C ATOM 822 C ARG A 58 -1.177 -4.286 -2.099 1.00 13.44 C ATOM 823 O ARG A 58 -1.327 -3.889 -3.234 1.00 62.31 O ATOM 824 CB ARG A 58 -1.821 -6.622 -1.915 1.00 72.20 C ATOM 825 CG ARG A 58 -2.992 -7.588 -1.749 1.00 53.50 C ATOM 826 CD ARG A 58 -2.741 -8.937 -2.396 1.00 34.21 C ATOM 827 NE ARG A 58 -4.002 -9.741 -2.259 1.00 1.24 N ATOM 828 CZ ARG A 58 -4.660 -10.308 -3.347 1.00 42.12 C ATOM 829 NH1 ARG A 58 -4.168 -10.195 -4.625 1.00 31.43 N ATOM 830 NH2 ARG A 58 -5.818 -10.990 -3.132 1.00 65.15 N ATOM 0 H ARG A 58 -3.573 -4.831 -2.987 1.00 0.00 H new ATOM 0 HA ARG A 58 -2.178 -5.143 -0.404 1.00 43.42 H new ATOM 0 HB2 ARG A 58 -1.500 -6.622 -2.957 1.00 72.20 H new ATOM 0 HB3 ARG A 58 -0.977 -6.975 -1.322 1.00 72.20 H new ATOM 0 HG2 ARG A 58 -3.190 -7.731 -0.687 1.00 53.50 H new ATOM 0 HG3 ARG A 58 -3.887 -7.143 -2.183 1.00 53.50 H new ATOM 0 HD2 ARG A 58 -2.475 -8.816 -3.446 1.00 34.21 H new ATOM 0 HD3 ARG A 58 -1.907 -9.446 -1.913 1.00 34.21 H new ATOM 0 HE ARG A 58 -4.394 -9.878 -1.327 1.00 1.24 H new ATOM 0 HH11 ARG A 58 -3.300 -9.686 -4.794 1.00 31.43 H new ATOM 0 HH12 ARG A 58 -4.670 -10.620 -5.404 1.00 31.43 H new ATOM 0 HH21 ARG A 58 -6.190 -11.079 -2.186 1.00 65.15 H new ATOM 0 HH22 ARG A 58 -6.314 -11.412 -3.917 1.00 65.15 H new ATOM 844 N VAL A 59 -0.134 -3.946 -1.337 1.00 42.11 N ATOM 845 CA VAL A 59 0.901 -3.087 -1.813 1.00 61.33 C ATOM 846 C VAL A 59 1.914 -3.983 -2.449 1.00 11.32 C ATOM 847 O VAL A 59 2.319 -4.995 -1.863 1.00 54.52 O ATOM 848 CB VAL A 59 1.570 -2.293 -0.701 1.00 41.32 C ATOM 849 CG1 VAL A 59 2.580 -1.302 -1.322 1.00 62.21 C ATOM 850 CG2 VAL A 59 0.458 -1.594 0.111 1.00 54.44 C ATOM 0 H VAL A 59 -0.003 -4.269 -0.378 1.00 42.11 H new ATOM 0 HA VAL A 59 0.479 -2.355 -2.501 1.00 61.33 H new ATOM 0 HB VAL A 59 2.136 -2.932 -0.023 1.00 41.32 H new ATOM 0 HG11 VAL A 59 3.063 -0.730 -0.530 1.00 62.21 H new ATOM 0 HG12 VAL A 59 3.335 -1.855 -1.882 1.00 62.21 H new ATOM 0 HG13 VAL A 59 2.056 -0.621 -1.993 1.00 62.21 H new ATOM 0 HG21 VAL A 59 0.906 -1.015 0.918 1.00 54.44 H new ATOM 0 HG22 VAL A 59 -0.106 -0.929 -0.543 1.00 54.44 H new ATOM 0 HG23 VAL A 59 -0.212 -2.344 0.531 1.00 54.44 H new ATOM 860 N LEU A 60 2.315 -3.649 -3.676 1.00 35.13 N ATOM 861 CA LEU A 60 3.270 -4.453 -4.387 1.00 1.13 C ATOM 862 C LEU A 60 4.608 -3.856 -4.155 1.00 22.15 C ATOM 863 O LEU A 60 5.513 -4.513 -3.658 1.00 65.21 O ATOM 864 CB LEU A 60 3.049 -4.422 -5.912 1.00 72.12 C ATOM 865 CG LEU A 60 1.739 -5.063 -6.368 1.00 40.33 C ATOM 866 CD1 LEU A 60 1.444 -4.731 -7.805 1.00 64.12 C ATOM 867 CD2 LEU A 60 1.694 -6.570 -6.135 1.00 40.55 C ATOM 0 H LEU A 60 1.986 -2.828 -4.184 1.00 35.13 H new ATOM 0 HA LEU A 60 3.172 -5.479 -4.034 1.00 1.13 H new ATOM 0 HB2 LEU A 60 3.071 -3.386 -6.250 1.00 72.12 H new ATOM 0 HB3 LEU A 60 3.879 -4.933 -6.399 1.00 72.12 H new ATOM 0 HG LEU A 60 0.956 -4.632 -5.743 1.00 40.33 H new ATOM 0 HD11 LEU A 60 0.506 -5.201 -8.102 1.00 64.12 H new ATOM 0 HD12 LEU A 60 1.361 -3.650 -7.919 1.00 64.12 H new ATOM 0 HD13 LEU A 60 2.251 -5.101 -8.437 1.00 64.12 H new ATOM 0 HD21 LEU A 60 0.738 -6.963 -6.480 1.00 40.55 H new ATOM 0 HD22 LEU A 60 2.503 -7.048 -6.687 1.00 40.55 H new ATOM 0 HD23 LEU A 60 1.809 -6.777 -5.071 1.00 40.55 H new ATOM 879 N ALA A 61 4.783 -2.581 -4.546 1.00 4.43 N ATOM 880 CA ALA A 61 6.057 -1.935 -4.396 1.00 62.53 C ATOM 881 C ALA A 61 5.769 -0.589 -3.876 1.00 1.34 C ATOM 882 O ALA A 61 4.692 -0.054 -4.120 1.00 60.41 O ATOM 883 CB ALA A 61 6.810 -1.744 -5.736 1.00 42.33 C ATOM 0 H ALA A 61 4.055 -2.000 -4.961 1.00 4.43 H new ATOM 0 HA ALA A 61 6.682 -2.552 -3.750 1.00 62.53 H new ATOM 0 HB1 ALA A 61 7.764 -1.250 -5.550 1.00 42.33 H new ATOM 0 HB2 ALA A 61 6.988 -2.716 -6.195 1.00 42.33 H new ATOM 0 HB3 ALA A 61 6.209 -1.131 -6.407 1.00 42.33 H new ATOM 889 N VAL A 62 6.730 -0.001 -3.143 1.00 62.23 N ATOM 890 CA VAL A 62 6.578 1.343 -2.664 1.00 10.04 C ATOM 891 C VAL A 62 7.726 2.104 -3.247 1.00 54.34 C ATOM 892 O VAL A 62 8.874 1.754 -3.029 1.00 63.14 O ATOM 893 CB VAL A 62 6.645 1.461 -1.150 1.00 34.24 C ATOM 894 CG1 VAL A 62 6.449 2.942 -0.752 1.00 63.31 C ATOM 895 CG2 VAL A 62 5.578 0.531 -0.539 1.00 62.11 C ATOM 0 H VAL A 62 7.608 -0.450 -2.882 1.00 62.23 H new ATOM 0 HA VAL A 62 5.597 1.718 -2.955 1.00 10.04 H new ATOM 0 HB VAL A 62 7.616 1.149 -0.765 1.00 34.24 H new ATOM 0 HG11 VAL A 62 6.496 3.036 0.333 1.00 63.31 H new ATOM 0 HG12 VAL A 62 7.235 3.547 -1.203 1.00 63.31 H new ATOM 0 HG13 VAL A 62 5.478 3.288 -1.105 1.00 63.31 H new ATOM 0 HG21 VAL A 62 5.612 0.603 0.548 1.00 62.11 H new ATOM 0 HG22 VAL A 62 4.591 0.829 -0.892 1.00 62.11 H new ATOM 0 HG23 VAL A 62 5.776 -0.498 -0.841 1.00 62.11 H new ATOM 905 N ASN A 63 7.412 3.167 -4.024 1.00 40.31 N ATOM 906 CA ASN A 63 8.429 4.020 -4.671 1.00 4.32 C ATOM 907 C ASN A 63 9.379 3.149 -5.511 1.00 34.10 C ATOM 908 O ASN A 63 10.542 3.484 -5.719 1.00 62.23 O ATOM 909 CB ASN A 63 9.261 4.890 -3.658 1.00 63.43 C ATOM 910 CG ASN A 63 10.072 5.951 -4.423 1.00 70.04 C ATOM 911 OD1 ASN A 63 11.300 5.886 -4.497 1.00 40.24 O ATOM 912 ND2 ASN A 63 9.385 6.948 -5.000 1.00 3.13 N ATOM 0 H ASN A 63 6.452 3.454 -4.217 1.00 40.31 H new ATOM 0 HA ASN A 63 7.887 4.720 -5.306 1.00 4.32 H new ATOM 0 HB2 ASN A 63 8.592 5.374 -2.946 1.00 63.43 H new ATOM 0 HB3 ASN A 63 9.932 4.252 -3.082 1.00 63.43 H new ATOM 0 HD21 ASN A 63 9.879 7.676 -5.515 1.00 3.13 H new ATOM 0 HD22 ASN A 63 8.368 6.978 -4.923 1.00 3.13 H new ATOM 919 N GLY A 64 8.869 2.029 -6.049 1.00 64.24 N ATOM 920 CA GLY A 64 9.636 1.228 -6.973 1.00 54.30 C ATOM 921 C GLY A 64 10.233 0.086 -6.246 1.00 44.10 C ATOM 922 O GLY A 64 10.660 -0.886 -6.864 1.00 73.01 O ATOM 0 H GLY A 64 7.934 1.673 -5.852 1.00 64.24 H new ATOM 0 HA2 GLY A 64 8.996 0.868 -7.779 1.00 54.30 H new ATOM 0 HA3 GLY A 64 10.419 1.831 -7.433 1.00 54.30 H new ATOM 926 N VAL A 65 10.312 0.163 -4.908 1.00 63.51 N ATOM 927 CA VAL A 65 10.990 -0.810 -4.153 1.00 53.42 C ATOM 928 C VAL A 65 10.113 -2.037 -4.065 1.00 10.24 C ATOM 929 O VAL A 65 9.032 -1.988 -3.474 1.00 73.22 O ATOM 930 CB VAL A 65 11.249 -0.296 -2.748 1.00 22.32 C ATOM 931 CG1 VAL A 65 11.948 -1.366 -1.955 1.00 5.20 C ATOM 932 CG2 VAL A 65 12.060 1.018 -2.842 1.00 45.33 C ATOM 0 H VAL A 65 9.897 0.913 -4.355 1.00 63.51 H new ATOM 0 HA VAL A 65 11.942 -1.043 -4.630 1.00 53.42 H new ATOM 0 HB VAL A 65 10.319 -0.068 -2.227 1.00 22.32 H new ATOM 0 HG11 VAL A 65 12.138 -1.005 -0.944 1.00 5.20 H new ATOM 0 HG12 VAL A 65 11.319 -2.255 -1.910 1.00 5.20 H new ATOM 0 HG13 VAL A 65 12.894 -1.615 -2.435 1.00 5.20 H new ATOM 0 HG21 VAL A 65 12.253 1.399 -1.839 1.00 45.33 H new ATOM 0 HG22 VAL A 65 13.007 0.826 -3.346 1.00 45.33 H new ATOM 0 HG23 VAL A 65 11.492 1.757 -3.407 1.00 45.33 H new ATOM 942 N SER A 66 10.592 -3.169 -4.660 1.00 75.33 N ATOM 943 CA SER A 66 9.918 -4.458 -4.547 1.00 74.30 C ATOM 944 C SER A 66 9.784 -4.785 -3.077 1.00 33.10 C ATOM 945 O SER A 66 10.774 -4.778 -2.330 1.00 71.33 O ATOM 946 CB SER A 66 10.664 -5.606 -5.259 1.00 0.11 C ATOM 947 OG SER A 66 10.994 -5.209 -6.602 1.00 4.03 O ATOM 0 H SER A 66 11.445 -3.194 -5.219 1.00 75.33 H new ATOM 0 HA SER A 66 8.948 -4.371 -5.038 1.00 74.30 H new ATOM 0 HB2 SER A 66 11.571 -5.858 -4.711 1.00 0.11 H new ATOM 0 HB3 SER A 66 10.042 -6.501 -5.276 1.00 0.11 H new ATOM 0 HG SER A 66 11.469 -5.939 -7.051 1.00 4.03 H new ATOM 953 N LEU A 67 8.533 -4.943 -2.628 1.00 23.23 N ATOM 954 CA LEU A 67 8.231 -4.876 -1.223 1.00 11.53 C ATOM 955 C LEU A 67 7.830 -6.247 -0.807 1.00 63.53 C ATOM 956 O LEU A 67 7.761 -6.562 0.350 1.00 22.13 O ATOM 957 CB LEU A 67 7.061 -3.879 -0.977 1.00 53.31 C ATOM 958 CG LEU A 67 7.007 -3.198 0.406 1.00 10.01 C ATOM 959 CD1 LEU A 67 6.289 -4.032 1.457 1.00 1.32 C ATOM 960 CD2 LEU A 67 8.365 -2.629 0.874 1.00 24.40 C ATOM 0 H LEU A 67 7.727 -5.117 -3.228 1.00 23.23 H new ATOM 0 HA LEU A 67 9.091 -4.528 -0.651 1.00 11.53 H new ATOM 0 HB2 LEU A 67 7.113 -3.100 -1.738 1.00 53.31 H new ATOM 0 HB3 LEU A 67 6.123 -4.412 -1.130 1.00 53.31 H new ATOM 0 HG LEU A 67 6.380 -2.317 0.268 1.00 10.01 H new ATOM 0 HD11 LEU A 67 6.286 -3.497 2.406 1.00 1.32 H new ATOM 0 HD12 LEU A 67 5.262 -4.213 1.139 1.00 1.32 H new ATOM 0 HD13 LEU A 67 6.804 -4.985 1.579 1.00 1.32 H new ATOM 0 HD21 LEU A 67 8.247 -2.166 1.854 1.00 24.40 H new ATOM 0 HD22 LEU A 67 9.095 -3.436 0.939 1.00 24.40 H new ATOM 0 HD23 LEU A 67 8.712 -1.883 0.160 1.00 24.40 H new ATOM 972 N GLU A 68 7.599 -7.119 -1.783 1.00 43.00 N ATOM 973 CA GLU A 68 7.294 -8.499 -1.516 1.00 21.35 C ATOM 974 C GLU A 68 8.421 -9.104 -0.676 1.00 33.54 C ATOM 975 O GLU A 68 9.608 -8.959 -0.994 1.00 71.42 O ATOM 976 CB GLU A 68 7.148 -9.331 -2.812 1.00 75.43 C ATOM 977 CG GLU A 68 8.252 -9.048 -3.871 1.00 60.51 C ATOM 978 CD GLU A 68 7.720 -8.071 -4.894 1.00 12.43 C ATOM 979 OE1 GLU A 68 7.241 -6.994 -4.502 1.00 31.43 O ATOM 980 OE2 GLU A 68 7.759 -8.390 -6.093 1.00 74.15 O ATOM 0 H GLU A 68 7.620 -6.879 -2.774 1.00 43.00 H new ATOM 0 HA GLU A 68 6.341 -8.528 -0.987 1.00 21.35 H new ATOM 0 HB2 GLU A 68 7.167 -10.390 -2.556 1.00 75.43 H new ATOM 0 HB3 GLU A 68 6.173 -9.128 -3.255 1.00 75.43 H new ATOM 0 HG2 GLU A 68 9.140 -8.640 -3.388 1.00 60.51 H new ATOM 0 HG3 GLU A 68 8.552 -9.976 -4.358 1.00 60.51 H new ATOM 987 N GLY A 69 8.056 -9.747 0.452 1.00 61.41 N ATOM 988 CA GLY A 69 9.039 -10.397 1.300 1.00 33.45 C ATOM 989 C GLY A 69 9.456 -9.438 2.380 1.00 51.24 C ATOM 990 O GLY A 69 10.112 -9.837 3.356 1.00 65.43 O ATOM 0 H GLY A 69 7.094 -9.822 0.783 1.00 61.41 H new ATOM 0 HA2 GLY A 69 8.619 -11.302 1.740 1.00 33.45 H new ATOM 0 HA3 GLY A 69 9.904 -10.701 0.711 1.00 33.45 H new ATOM 994 N ALA A 70 9.100 -8.143 2.230 1.00 63.23 N ATOM 995 CA ALA A 70 9.462 -7.140 3.205 1.00 24.43 C ATOM 996 C ALA A 70 8.408 -7.170 4.256 1.00 5.40 C ATOM 997 O ALA A 70 7.312 -7.663 4.035 1.00 13.42 O ATOM 998 CB ALA A 70 9.543 -5.715 2.627 1.00 2.20 C ATOM 0 H ALA A 70 8.564 -7.788 1.438 1.00 63.23 H new ATOM 0 HA ALA A 70 10.458 -7.372 3.583 1.00 24.43 H new ATOM 0 HB1 ALA A 70 9.820 -5.017 3.417 1.00 2.20 H new ATOM 0 HB2 ALA A 70 10.294 -5.685 1.837 1.00 2.20 H new ATOM 0 HB3 ALA A 70 8.573 -5.433 2.217 1.00 2.20 H new ATOM 1004 N THR A 71 8.749 -6.700 5.448 1.00 2.43 N ATOM 1005 CA THR A 71 7.882 -6.856 6.573 1.00 52.44 C ATOM 1006 C THR A 71 6.866 -5.706 6.597 1.00 63.53 C ATOM 1007 O THR A 71 6.886 -4.804 5.754 1.00 75.42 O ATOM 1008 CB THR A 71 8.652 -6.887 7.901 1.00 73.33 C ATOM 1009 OG1 THR A 71 9.240 -5.605 8.178 1.00 11.33 O ATOM 1010 CG2 THR A 71 9.792 -7.932 7.802 1.00 73.15 C ATOM 0 H THR A 71 9.622 -6.210 5.645 1.00 2.43 H new ATOM 0 HA THR A 71 7.372 -7.814 6.467 1.00 52.44 H new ATOM 0 HB THR A 71 7.955 -7.145 8.699 1.00 73.33 H new ATOM 0 HG1 THR A 71 9.725 -5.644 9.029 1.00 11.33 H new ATOM 0 HG21 THR A 71 10.343 -7.959 8.742 1.00 73.15 H new ATOM 0 HG22 THR A 71 9.367 -8.916 7.602 1.00 73.15 H new ATOM 0 HG23 THR A 71 10.468 -7.657 6.993 1.00 73.15 H new ATOM 1018 N HIS A 72 5.967 -5.746 7.610 1.00 30.33 N ATOM 1019 CA HIS A 72 4.977 -4.714 7.819 1.00 71.12 C ATOM 1020 C HIS A 72 5.684 -3.414 8.165 1.00 73.53 C ATOM 1021 O HIS A 72 5.353 -2.374 7.621 1.00 4.00 O ATOM 1022 CB HIS A 72 3.914 -5.042 8.911 1.00 52.31 C ATOM 1023 CG HIS A 72 4.443 -5.188 10.314 1.00 43.24 C ATOM 1024 ND1 HIS A 72 5.148 -6.284 10.729 1.00 41.24 N ATOM 1025 CD2 HIS A 72 4.294 -4.383 11.381 1.00 45.43 C ATOM 1026 CE1 HIS A 72 5.424 -6.135 12.018 1.00 60.32 C ATOM 1027 NE2 HIS A 72 4.904 -4.988 12.427 1.00 64.32 N ATOM 0 H HIS A 72 5.925 -6.502 8.293 1.00 30.33 H new ATOM 0 HA HIS A 72 4.419 -4.632 6.886 1.00 71.12 H new ATOM 0 HB2 HIS A 72 3.160 -4.255 8.907 1.00 52.31 H new ATOM 0 HB3 HIS A 72 3.409 -5.968 8.634 1.00 52.31 H new ATOM 0 HD2 HIS A 72 3.783 -3.432 11.400 1.00 45.43 H new ATOM 0 HE1 HIS A 72 5.979 -6.831 12.630 1.00 60.32 H new ATOM 0 HE2 HIS A 72 4.955 -4.620 13.377 1.00 64.32 H new ATOM 1036 N LYS A 73 6.706 -3.452 9.084 1.00 44.14 N ATOM 1037 CA LYS A 73 7.503 -2.254 9.408 1.00 24.53 C ATOM 1038 C LYS A 73 8.082 -1.664 8.146 1.00 23.24 C ATOM 1039 O LYS A 73 7.874 -0.501 7.869 1.00 31.34 O ATOM 1040 CB LYS A 73 8.687 -2.537 10.361 1.00 42.30 C ATOM 1041 CG LYS A 73 8.267 -2.954 11.778 1.00 44.54 C ATOM 1042 CD LYS A 73 7.539 -1.843 12.541 1.00 10.32 C ATOM 1043 CE LYS A 73 7.274 -2.161 14.022 1.00 0.40 C ATOM 1044 NZ LYS A 73 8.532 -2.318 14.785 1.00 62.14 N ATOM 0 H LYS A 73 6.980 -4.291 9.596 1.00 44.14 H new ATOM 0 HA LYS A 73 6.814 -1.571 9.905 1.00 24.53 H new ATOM 0 HB2 LYS A 73 9.305 -3.325 9.931 1.00 42.30 H new ATOM 0 HB3 LYS A 73 9.308 -1.644 10.426 1.00 42.30 H new ATOM 0 HG2 LYS A 73 7.619 -3.828 11.716 1.00 44.54 H new ATOM 0 HG3 LYS A 73 9.152 -3.252 12.340 1.00 44.54 H new ATOM 0 HD2 LYS A 73 8.129 -0.928 12.478 1.00 10.32 H new ATOM 0 HD3 LYS A 73 6.587 -1.643 12.048 1.00 10.32 H new ATOM 0 HE2 LYS A 73 6.678 -1.362 14.464 1.00 0.40 H new ATOM 0 HE3 LYS A 73 6.687 -3.076 14.098 1.00 0.40 H new ATOM 0 HZ1 LYS A 73 8.320 -2.345 15.803 1.00 62.14 H new ATOM 0 HZ2 LYS A 73 9.000 -3.204 14.505 1.00 62.14 H new ATOM 0 HZ3 LYS A 73 9.162 -1.515 14.584 1.00 62.14 H new ATOM 1058 N GLN A 74 8.827 -2.478 7.361 1.00 3.03 N ATOM 1059 CA GLN A 74 9.458 -1.993 6.121 1.00 41.21 C ATOM 1060 C GLN A 74 8.409 -1.348 5.231 1.00 70.24 C ATOM 1061 O GLN A 74 8.630 -0.271 4.680 1.00 54.55 O ATOM 1062 CB GLN A 74 10.131 -3.122 5.319 1.00 33.40 C ATOM 1063 CG GLN A 74 11.275 -3.802 6.090 1.00 5.24 C ATOM 1064 CD GLN A 74 11.827 -4.949 5.260 1.00 24.43 C ATOM 1065 OE1 GLN A 74 11.789 -6.101 5.686 1.00 31.43 O ATOM 1066 NE2 GLN A 74 12.341 -4.652 4.059 1.00 45.43 N ATOM 0 H GLN A 74 9.002 -3.462 7.565 1.00 3.03 H new ATOM 0 HA GLN A 74 10.224 -1.276 6.419 1.00 41.21 H new ATOM 0 HB2 GLN A 74 9.383 -3.869 5.055 1.00 33.40 H new ATOM 0 HB3 GLN A 74 10.520 -2.716 4.385 1.00 33.40 H new ATOM 0 HG2 GLN A 74 12.064 -3.081 6.305 1.00 5.24 H new ATOM 0 HG3 GLN A 74 10.913 -4.173 7.049 1.00 5.24 H new ATOM 0 HE21 GLN A 74 12.357 -3.685 3.736 1.00 45.43 H new ATOM 0 HE22 GLN A 74 12.717 -5.393 3.467 1.00 45.43 H new ATOM 1075 N ALA A 75 7.236 -2.008 5.116 1.00 42.04 N ATOM 1076 CA ALA A 75 6.122 -1.510 4.309 1.00 41.52 C ATOM 1077 C ALA A 75 5.805 -0.076 4.670 1.00 12.43 C ATOM 1078 O ALA A 75 5.776 0.792 3.801 1.00 32.15 O ATOM 1079 CB ALA A 75 4.827 -2.327 4.474 1.00 5.42 C ATOM 0 H ALA A 75 7.044 -2.895 5.581 1.00 42.04 H new ATOM 0 HA ALA A 75 6.455 -1.599 3.275 1.00 41.52 H new ATOM 0 HB1 ALA A 75 4.045 -1.900 3.846 1.00 5.42 H new ATOM 0 HB2 ALA A 75 5.008 -3.360 4.176 1.00 5.42 H new ATOM 0 HB3 ALA A 75 4.510 -2.300 5.517 1.00 5.42 H new ATOM 1085 N VAL A 76 5.558 0.204 5.972 1.00 13.22 N ATOM 1086 CA VAL A 76 5.138 1.518 6.380 1.00 25.20 C ATOM 1087 C VAL A 76 6.319 2.470 6.345 1.00 0.31 C ATOM 1088 O VAL A 76 6.143 3.627 6.055 1.00 5.34 O ATOM 1089 CB VAL A 76 4.458 1.580 7.743 1.00 41.13 C ATOM 1090 CG1 VAL A 76 3.079 0.912 7.609 1.00 73.42 C ATOM 1091 CG2 VAL A 76 5.343 0.917 8.815 1.00 13.42 C ATOM 0 H VAL A 76 5.648 -0.470 6.732 1.00 13.22 H new ATOM 0 HA VAL A 76 4.375 1.818 5.662 1.00 25.20 H new ATOM 0 HB VAL A 76 4.317 2.611 8.068 1.00 41.13 H new ATOM 0 HG11 VAL A 76 2.566 0.940 8.570 1.00 73.42 H new ATOM 0 HG12 VAL A 76 2.487 1.446 6.866 1.00 73.42 H new ATOM 0 HG13 VAL A 76 3.206 -0.124 7.296 1.00 73.42 H new ATOM 0 HG21 VAL A 76 4.844 0.969 9.782 1.00 13.42 H new ATOM 0 HG22 VAL A 76 5.514 -0.127 8.551 1.00 13.42 H new ATOM 0 HG23 VAL A 76 6.299 1.438 8.871 1.00 13.42 H new ATOM 1101 N CYS A 77 7.561 2.000 6.689 1.00 4.44 N ATOM 1102 CA CYS A 77 8.652 3.026 6.869 1.00 22.12 C ATOM 1103 C CYS A 77 8.944 3.585 5.465 1.00 52.21 C ATOM 1104 O CYS A 77 9.436 4.660 5.286 1.00 43.13 O ATOM 1105 CB CYS A 77 9.957 2.405 7.440 1.00 10.23 C ATOM 1106 SG CYS A 77 11.156 3.654 8.064 1.00 63.31 S ATOM 0 H CYS A 77 7.820 1.024 6.835 1.00 4.44 H new ATOM 0 HA CYS A 77 8.326 3.789 7.576 1.00 22.12 H new ATOM 0 HB2 CYS A 77 9.700 1.723 8.251 1.00 10.23 H new ATOM 0 HB3 CYS A 77 10.437 1.810 6.663 1.00 10.23 H new ATOM 0 HG CYS A 77 12.212 3.050 8.523 1.00 63.31 H new ATOM 1111 N THR A 78 8.797 2.705 4.440 1.00 1.05 N ATOM 1112 CA THR A 78 9.093 3.085 3.072 1.00 61.34 C ATOM 1113 C THR A 78 7.982 3.999 2.618 1.00 2.10 C ATOM 1114 O THR A 78 8.221 5.042 2.026 1.00 44.24 O ATOM 1115 CB THR A 78 9.154 1.873 2.136 1.00 23.01 C ATOM 1116 OG1 THR A 78 9.988 0.858 2.700 1.00 11.01 O ATOM 1117 CG2 THR A 78 9.745 2.309 0.777 1.00 5.51 C ATOM 0 H THR A 78 8.478 1.743 4.553 1.00 1.05 H new ATOM 0 HA THR A 78 10.069 3.569 3.038 1.00 61.34 H new ATOM 0 HB THR A 78 8.147 1.478 2.000 1.00 23.01 H new ATOM 0 HG1 THR A 78 9.454 0.286 3.290 1.00 11.01 H new ATOM 0 HG21 THR A 78 9.790 1.450 0.108 1.00 5.51 H new ATOM 0 HG22 THR A 78 9.113 3.080 0.336 1.00 5.51 H new ATOM 0 HG23 THR A 78 10.749 2.705 0.927 1.00 5.51 H new ATOM 1125 N LEU A 79 6.733 3.590 2.927 1.00 1.42 N ATOM 1126 CA LEU A 79 5.532 4.280 2.561 1.00 24.15 C ATOM 1127 C LEU A 79 5.533 5.662 3.179 1.00 1.11 C ATOM 1128 O LEU A 79 5.226 6.642 2.514 1.00 74.31 O ATOM 1129 CB LEU A 79 4.334 3.446 3.077 1.00 42.10 C ATOM 1130 CG LEU A 79 2.933 3.987 2.868 1.00 52.23 C ATOM 1131 CD1 LEU A 79 2.471 4.928 3.990 1.00 74.24 C ATOM 1132 CD2 LEU A 79 2.664 4.521 1.451 1.00 1.22 C ATOM 0 H LEU A 79 6.554 2.737 3.457 1.00 1.42 H new ATOM 0 HA LEU A 79 5.461 4.397 1.480 1.00 24.15 H new ATOM 0 HB2 LEU A 79 4.385 2.465 2.604 1.00 42.10 H new ATOM 0 HB3 LEU A 79 4.474 3.292 4.147 1.00 42.10 H new ATOM 0 HG LEU A 79 2.285 3.114 2.944 1.00 52.23 H new ATOM 0 HD11 LEU A 79 1.461 5.279 3.778 1.00 74.24 H new ATOM 0 HD12 LEU A 79 2.477 4.393 4.939 1.00 74.24 H new ATOM 0 HD13 LEU A 79 3.146 5.782 4.050 1.00 74.24 H new ATOM 0 HD21 LEU A 79 1.640 4.888 1.389 1.00 1.22 H new ATOM 0 HD22 LEU A 79 3.355 5.335 1.232 1.00 1.22 H new ATOM 0 HD23 LEU A 79 2.806 3.719 0.727 1.00 1.22 H new ATOM 1144 N ARG A 80 5.895 5.768 4.467 1.00 42.33 N ATOM 1145 CA ARG A 80 5.886 7.047 5.142 1.00 31.42 C ATOM 1146 C ARG A 80 6.960 7.917 4.535 1.00 33.44 C ATOM 1147 O ARG A 80 6.676 9.019 4.076 1.00 0.21 O ATOM 1148 CB ARG A 80 6.136 6.956 6.664 1.00 13.33 C ATOM 1149 CG ARG A 80 5.874 8.292 7.377 1.00 71.03 C ATOM 1150 CD ARG A 80 6.168 8.268 8.884 1.00 62.21 C ATOM 1151 NE ARG A 80 7.631 7.959 9.099 1.00 3.02 N ATOM 1152 CZ ARG A 80 8.629 8.899 8.862 1.00 21.25 C ATOM 1153 NH1 ARG A 80 8.325 10.138 8.377 1.00 73.44 N ATOM 1154 NH2 ARG A 80 9.919 8.587 9.125 1.00 70.31 N ATOM 0 H ARG A 80 6.193 4.983 5.046 1.00 42.33 H new ATOM 0 HA ARG A 80 4.887 7.464 5.010 1.00 31.42 H new ATOM 0 HB2 ARG A 80 5.493 6.186 7.091 1.00 13.33 H new ATOM 0 HB3 ARG A 80 7.166 6.646 6.843 1.00 13.33 H new ATOM 0 HG2 ARG A 80 6.484 9.066 6.911 1.00 71.03 H new ATOM 0 HG3 ARG A 80 4.832 8.574 7.226 1.00 71.03 H new ATOM 0 HD2 ARG A 80 5.918 9.230 9.331 1.00 62.21 H new ATOM 0 HD3 ARG A 80 5.549 7.517 9.376 1.00 62.21 H new ATOM 0 HE ARG A 80 7.896 7.031 9.429 1.00 3.02 H new ATOM 0 HH11 ARG A 80 7.355 10.386 8.183 1.00 73.44 H new ATOM 0 HH12 ARG A 80 9.068 10.816 8.209 1.00 73.44 H new ATOM 0 HH21 ARG A 80 10.156 7.666 9.495 1.00 70.31 H new ATOM 0 HH22 ARG A 80 10.655 9.272 8.953 1.00 70.31 H new ATOM 1168 N ASN A 81 8.237 7.419 4.537 1.00 43.20 N ATOM 1169 CA ASN A 81 9.394 8.166 3.970 1.00 51.34 C ATOM 1170 C ASN A 81 9.320 8.208 2.462 1.00 10.12 C ATOM 1171 O ASN A 81 10.294 7.927 1.779 1.00 54.32 O ATOM 1172 CB ASN A 81 10.784 7.571 4.330 1.00 50.21 C ATOM 1173 CG ASN A 81 11.049 7.814 5.798 1.00 4.43 C ATOM 1174 OD1 ASN A 81 11.159 8.971 6.239 1.00 54.51 O ATOM 1175 ND2 ASN A 81 11.157 6.731 6.586 1.00 40.13 N ATOM 0 H ASN A 81 8.483 6.508 4.924 1.00 43.20 H new ATOM 0 HA ASN A 81 9.315 9.157 4.417 1.00 51.34 H new ATOM 0 HB2 ASN A 81 10.805 6.503 4.114 1.00 50.21 H new ATOM 0 HB3 ASN A 81 11.562 8.035 3.724 1.00 50.21 H new ATOM 0 HD21 ASN A 81 11.335 6.842 7.584 1.00 40.13 H new ATOM 0 HD22 ASN A 81 11.060 5.798 6.186 1.00 40.13 H new ATOM 1182 N THR A 82 8.194 8.633 1.942 1.00 14.00 N ATOM 1183 CA THR A 82 8.063 8.945 0.564 1.00 63.24 C ATOM 1184 C THR A 82 8.127 10.454 0.481 1.00 42.11 C ATOM 1185 O THR A 82 8.394 11.139 1.487 1.00 71.15 O ATOM 1186 CB THR A 82 6.787 8.426 -0.075 1.00 32.14 C ATOM 1187 OG1 THR A 82 5.661 8.622 0.779 1.00 42.10 O ATOM 1188 CG2 THR A 82 6.968 6.932 -0.381 1.00 64.22 C ATOM 0 H THR A 82 7.340 8.769 2.482 1.00 14.00 H new ATOM 0 HA THR A 82 8.859 8.453 0.005 1.00 63.24 H new ATOM 0 HB THR A 82 6.598 8.980 -0.995 1.00 32.14 H new ATOM 0 HG1 THR A 82 5.753 8.059 1.576 1.00 42.10 H new ATOM 0 HG21 THR A 82 6.060 6.542 -0.841 1.00 64.22 H new ATOM 0 HG22 THR A 82 7.807 6.800 -1.065 1.00 64.22 H new ATOM 0 HG23 THR A 82 7.166 6.392 0.545 1.00 64.22 H new ATOM 1196 N GLY A 83 7.931 10.990 -0.722 1.00 53.51 N ATOM 1197 CA GLY A 83 7.962 12.410 -0.929 1.00 51.21 C ATOM 1198 C GLY A 83 6.596 12.935 -0.608 1.00 22.11 C ATOM 1199 O GLY A 83 5.867 12.363 0.208 1.00 61.11 O ATOM 0 H GLY A 83 7.749 10.445 -1.565 1.00 53.51 H new ATOM 0 HA2 GLY A 83 8.713 12.875 -0.290 1.00 51.21 H new ATOM 0 HA3 GLY A 83 8.231 12.643 -1.959 1.00 51.21 H new ATOM 1203 N GLN A 84 6.227 14.064 -1.239 1.00 31.42 N ATOM 1204 CA GLN A 84 4.946 14.682 -0.991 1.00 34.24 C ATOM 1205 C GLN A 84 3.864 13.720 -1.432 1.00 20.33 C ATOM 1206 O GLN A 84 2.994 13.322 -0.630 1.00 73.24 O ATOM 1207 CB GLN A 84 4.774 16.013 -1.775 1.00 1.50 C ATOM 1208 CG GLN A 84 3.419 16.694 -1.558 1.00 71.33 C ATOM 1209 CD GLN A 84 3.390 18.005 -2.346 1.00 72.14 C ATOM 1210 OE1 GLN A 84 3.141 19.068 -1.785 1.00 3.54 O ATOM 1211 NE2 GLN A 84 3.644 17.940 -3.667 1.00 13.32 N ATOM 0 H GLN A 84 6.808 14.553 -1.920 1.00 31.42 H new ATOM 0 HA GLN A 84 4.878 14.910 0.073 1.00 34.24 H new ATOM 0 HB2 GLN A 84 5.566 16.701 -1.480 1.00 1.50 H new ATOM 0 HB3 GLN A 84 4.903 15.815 -2.839 1.00 1.50 H new ATOM 0 HG2 GLN A 84 2.612 16.039 -1.886 1.00 71.33 H new ATOM 0 HG3 GLN A 84 3.261 16.888 -0.497 1.00 71.33 H new ATOM 0 HE21 GLN A 84 3.848 17.041 -4.104 1.00 13.32 H new ATOM 0 HE22 GLN A 84 3.633 18.790 -4.231 1.00 13.32 H new ATOM 1220 N VAL A 85 3.929 13.287 -2.695 1.00 73.23 N ATOM 1221 CA VAL A 85 2.993 12.351 -3.225 1.00 54.32 C ATOM 1222 C VAL A 85 3.655 11.009 -3.161 1.00 23.43 C ATOM 1223 O VAL A 85 4.886 10.887 -3.295 1.00 24.44 O ATOM 1224 CB VAL A 85 2.614 12.712 -4.663 1.00 4.33 C ATOM 1225 CG1 VAL A 85 1.780 11.601 -5.332 1.00 20.41 C ATOM 1226 CG2 VAL A 85 1.851 14.040 -4.587 1.00 65.53 C ATOM 0 H VAL A 85 4.640 13.589 -3.361 1.00 73.23 H new ATOM 0 HA VAL A 85 2.066 12.355 -2.652 1.00 54.32 H new ATOM 0 HB VAL A 85 3.502 12.814 -5.287 1.00 4.33 H new ATOM 0 HG11 VAL A 85 1.532 11.896 -6.351 1.00 20.41 H new ATOM 0 HG12 VAL A 85 2.356 10.676 -5.352 1.00 20.41 H new ATOM 0 HG13 VAL A 85 0.862 11.444 -4.766 1.00 20.41 H new ATOM 0 HG21 VAL A 85 1.554 14.347 -5.590 1.00 65.53 H new ATOM 0 HG22 VAL A 85 0.962 13.914 -3.968 1.00 65.53 H new ATOM 0 HG23 VAL A 85 2.493 14.804 -4.149 1.00 65.53 H new ATOM 1236 N VAL A 86 2.846 9.974 -2.898 1.00 31.02 N ATOM 1237 CA VAL A 86 3.320 8.648 -2.766 1.00 11.33 C ATOM 1238 C VAL A 86 3.004 7.988 -4.064 1.00 74.43 C ATOM 1239 O VAL A 86 1.853 8.035 -4.528 1.00 73.14 O ATOM 1240 CB VAL A 86 2.549 7.878 -1.700 1.00 43.55 C ATOM 1241 CG1 VAL A 86 3.214 6.510 -1.470 1.00 2.43 C ATOM 1242 CG2 VAL A 86 2.461 8.738 -0.423 1.00 55.40 C ATOM 0 H VAL A 86 1.838 10.067 -2.775 1.00 31.02 H new ATOM 0 HA VAL A 86 4.377 8.659 -2.500 1.00 11.33 H new ATOM 0 HB VAL A 86 1.527 7.677 -2.023 1.00 43.55 H new ATOM 0 HG11 VAL A 86 2.662 5.961 -0.708 1.00 2.43 H new ATOM 0 HG12 VAL A 86 3.210 5.942 -2.401 1.00 2.43 H new ATOM 0 HG13 VAL A 86 4.242 6.656 -1.139 1.00 2.43 H new ATOM 0 HG21 VAL A 86 1.911 8.194 0.345 1.00 55.40 H new ATOM 0 HG22 VAL A 86 3.466 8.958 -0.062 1.00 55.40 H new ATOM 0 HG23 VAL A 86 1.944 9.671 -0.648 1.00 55.40 H new ATOM 1252 N HIS A 87 3.988 7.346 -4.675 1.00 3.41 N ATOM 1253 CA HIS A 87 3.723 6.524 -5.814 1.00 23.24 C ATOM 1254 C HIS A 87 3.993 5.144 -5.334 1.00 61.43 C ATOM 1255 O HIS A 87 5.081 4.854 -4.826 1.00 54.10 O ATOM 1256 CB HIS A 87 4.631 6.837 -7.012 1.00 10.43 C ATOM 1257 CG HIS A 87 4.221 6.163 -8.294 1.00 43.53 C ATOM 1258 ND1 HIS A 87 4.830 5.032 -8.772 1.00 24.50 N ATOM 1259 CD2 HIS A 87 3.305 6.535 -9.206 1.00 31.44 C ATOM 1260 CE1 HIS A 87 4.289 4.731 -9.947 1.00 14.13 C ATOM 1261 NE2 HIS A 87 3.367 5.638 -10.230 1.00 30.22 N ATOM 0 H HIS A 87 4.967 7.387 -4.393 1.00 3.41 H new ATOM 0 HA HIS A 87 2.707 6.683 -6.174 1.00 23.24 H new ATOM 0 HB2 HIS A 87 4.644 7.915 -7.171 1.00 10.43 H new ATOM 0 HB3 HIS A 87 5.650 6.538 -6.768 1.00 10.43 H new ATOM 0 HD2 HIS A 87 2.644 7.386 -9.139 1.00 31.44 H new ATOM 0 HE1 HIS A 87 4.556 3.888 -10.567 1.00 14.13 H new ATOM 0 HE2 HIS A 87 2.797 5.662 -11.075 1.00 30.22 H new ATOM 1270 N LEU A 88 2.989 4.288 -5.418 1.00 1.42 N ATOM 1271 CA LEU A 88 3.116 2.989 -4.886 1.00 55.03 C ATOM 1272 C LEU A 88 2.184 2.144 -5.627 1.00 2.11 C ATOM 1273 O LEU A 88 1.066 2.548 -5.924 1.00 71.50 O ATOM 1274 CB LEU A 88 2.880 2.900 -3.346 1.00 53.35 C ATOM 1275 CG LEU A 88 1.453 3.239 -2.805 1.00 32.41 C ATOM 1276 CD1 LEU A 88 0.778 4.503 -3.394 1.00 23.12 C ATOM 1277 CD2 LEU A 88 0.529 2.015 -2.757 1.00 33.15 C ATOM 0 H LEU A 88 2.089 4.491 -5.853 1.00 1.42 H new ATOM 0 HA LEU A 88 4.146 2.654 -5.005 1.00 55.03 H new ATOM 0 HB2 LEU A 88 3.127 1.887 -3.028 1.00 53.35 H new ATOM 0 HB3 LEU A 88 3.590 3.569 -2.859 1.00 53.35 H new ATOM 0 HG LEU A 88 1.639 3.534 -1.772 1.00 32.41 H new ATOM 0 HD11 LEU A 88 -0.205 4.634 -2.943 1.00 23.12 H new ATOM 0 HD12 LEU A 88 1.394 5.377 -3.182 1.00 23.12 H new ATOM 0 HD13 LEU A 88 0.670 4.389 -4.473 1.00 23.12 H new ATOM 0 HD21 LEU A 88 -0.447 2.311 -2.373 1.00 33.15 H new ATOM 0 HD22 LEU A 88 0.416 1.605 -3.761 1.00 33.15 H new ATOM 0 HD23 LEU A 88 0.962 1.258 -2.103 1.00 33.15 H new ATOM 1289 N LEU A 89 2.647 0.980 -6.058 1.00 54.30 N ATOM 1290 CA LEU A 89 1.814 0.103 -6.802 1.00 44.54 C ATOM 1291 C LEU A 89 1.072 -0.735 -5.848 1.00 14.30 C ATOM 1292 O LEU A 89 1.579 -1.139 -4.797 1.00 52.52 O ATOM 1293 CB LEU A 89 2.589 -0.841 -7.750 1.00 10.11 C ATOM 1294 CG LEU A 89 2.975 -0.199 -9.096 1.00 25.43 C ATOM 1295 CD1 LEU A 89 3.672 1.167 -8.951 1.00 13.24 C ATOM 1296 CD2 LEU A 89 3.752 -1.165 -10.000 1.00 11.12 C ATOM 0 H LEU A 89 3.595 0.639 -5.896 1.00 54.30 H new ATOM 0 HA LEU A 89 1.168 0.726 -7.421 1.00 44.54 H new ATOM 0 HB2 LEU A 89 3.495 -1.180 -7.248 1.00 10.11 H new ATOM 0 HB3 LEU A 89 1.981 -1.725 -7.942 1.00 10.11 H new ATOM 0 HG LEU A 89 2.032 0.013 -9.600 1.00 25.43 H new ATOM 0 HD11 LEU A 89 3.914 1.559 -9.939 1.00 13.24 H new ATOM 0 HD12 LEU A 89 3.007 1.862 -8.438 1.00 13.24 H new ATOM 0 HD13 LEU A 89 4.588 1.048 -8.373 1.00 13.24 H new ATOM 0 HD21 LEU A 89 4.001 -0.666 -10.937 1.00 11.12 H new ATOM 0 HD22 LEU A 89 4.669 -1.475 -9.499 1.00 11.12 H new ATOM 0 HD23 LEU A 89 3.139 -2.042 -10.208 1.00 11.12 H new ATOM 1308 N LEU A 90 -0.131 -1.029 -6.238 1.00 65.40 N ATOM 1309 CA LEU A 90 -0.970 -1.911 -5.517 1.00 21.20 C ATOM 1310 C LEU A 90 -1.510 -2.858 -6.524 1.00 51.33 C ATOM 1311 O LEU A 90 -1.358 -2.655 -7.737 1.00 34.12 O ATOM 1312 CB LEU A 90 -2.164 -1.276 -4.697 1.00 51.43 C ATOM 1313 CG LEU A 90 -2.839 0.026 -5.243 1.00 24.11 C ATOM 1314 CD1 LEU A 90 -2.306 1.300 -4.580 1.00 23.34 C ATOM 1315 CD2 LEU A 90 -2.924 0.153 -6.773 1.00 61.33 C ATOM 0 H LEU A 90 -0.557 -0.650 -7.084 1.00 65.40 H new ATOM 0 HA LEU A 90 -0.357 -2.362 -4.736 1.00 21.20 H new ATOM 0 HB2 LEU A 90 -2.940 -2.035 -4.600 1.00 51.43 H new ATOM 0 HB3 LEU A 90 -1.799 -1.063 -3.692 1.00 51.43 H new ATOM 0 HG LEU A 90 -3.878 -0.092 -4.937 1.00 24.11 H new ATOM 0 HD11 LEU A 90 -2.813 2.168 -5.001 1.00 23.34 H new ATOM 0 HD12 LEU A 90 -2.491 1.257 -3.507 1.00 23.34 H new ATOM 0 HD13 LEU A 90 -1.234 1.383 -4.760 1.00 23.34 H new ATOM 0 HD21 LEU A 90 -3.410 1.093 -7.034 1.00 61.33 H new ATOM 0 HD22 LEU A 90 -1.920 0.134 -7.196 1.00 61.33 H new ATOM 0 HD23 LEU A 90 -3.503 -0.678 -7.175 1.00 61.33 H new ATOM 1327 N GLU A 91 -2.146 -3.914 -6.045 1.00 61.14 N ATOM 1328 CA GLU A 91 -2.837 -4.811 -6.872 1.00 74.53 C ATOM 1329 C GLU A 91 -4.150 -4.890 -6.202 1.00 54.33 C ATOM 1330 O GLU A 91 -4.239 -4.664 -4.980 1.00 24.04 O ATOM 1331 CB GLU A 91 -2.242 -6.249 -6.907 1.00 3.12 C ATOM 1332 CG GLU A 91 -1.989 -6.845 -5.515 1.00 14.13 C ATOM 1333 CD GLU A 91 -1.532 -8.280 -5.655 1.00 24.41 C ATOM 1334 OE1 GLU A 91 -2.242 -9.070 -6.298 1.00 11.33 O ATOM 1335 OE2 GLU A 91 -0.487 -8.632 -5.084 1.00 43.23 O ATOM 0 H GLU A 91 -2.180 -4.151 -5.053 1.00 61.14 H new ATOM 0 HA GLU A 91 -2.822 -4.469 -7.907 1.00 74.53 H new ATOM 0 HB2 GLU A 91 -2.923 -6.901 -7.454 1.00 3.12 H new ATOM 0 HB3 GLU A 91 -1.304 -6.231 -7.461 1.00 3.12 H new ATOM 0 HG2 GLU A 91 -1.233 -6.261 -4.990 1.00 14.13 H new ATOM 0 HG3 GLU A 91 -2.899 -6.799 -4.917 1.00 14.13 H new ATOM 1342 N LYS A 92 -5.216 -5.191 -6.951 1.00 61.24 N ATOM 1343 CA LYS A 92 -6.502 -5.381 -6.324 1.00 61.24 C ATOM 1344 C LYS A 92 -6.410 -6.582 -5.459 1.00 53.34 C ATOM 1345 O LYS A 92 -5.857 -7.594 -5.851 1.00 41.02 O ATOM 1346 CB LYS A 92 -7.686 -5.580 -7.301 1.00 34.33 C ATOM 1347 CG LYS A 92 -7.918 -4.404 -8.262 1.00 55.32 C ATOM 1348 CD LYS A 92 -8.728 -3.195 -7.668 1.00 50.42 C ATOM 1349 CE LYS A 92 -8.160 -2.622 -6.348 1.00 74.23 C ATOM 1350 NZ LYS A 92 -8.965 -1.522 -5.795 1.00 2.23 N ATOM 0 H LYS A 92 -5.204 -5.303 -7.965 1.00 61.24 H new ATOM 0 HA LYS A 92 -6.716 -4.464 -5.776 1.00 61.24 H new ATOM 0 HB2 LYS A 92 -7.511 -6.483 -7.886 1.00 34.33 H new ATOM 0 HB3 LYS A 92 -8.595 -5.746 -6.723 1.00 34.33 H new ATOM 0 HG2 LYS A 92 -6.949 -4.038 -8.601 1.00 55.32 H new ATOM 0 HG3 LYS A 92 -8.445 -4.775 -9.142 1.00 55.32 H new ATOM 0 HD2 LYS A 92 -8.760 -2.397 -8.410 1.00 50.42 H new ATOM 0 HD3 LYS A 92 -9.756 -3.513 -7.497 1.00 50.42 H new ATOM 0 HE2 LYS A 92 -8.096 -3.422 -5.611 1.00 74.23 H new ATOM 0 HE3 LYS A 92 -7.144 -2.267 -6.522 1.00 74.23 H new ATOM 0 HZ1 LYS A 92 -8.560 -1.218 -4.887 1.00 2.23 H new ATOM 0 HZ2 LYS A 92 -8.964 -0.722 -6.460 1.00 2.23 H new ATOM 0 HZ3 LYS A 92 -9.942 -1.847 -5.647 1.00 2.23 H new ATOM 1364 N GLY A 93 -6.930 -6.465 -4.265 1.00 40.30 N ATOM 1365 CA GLY A 93 -6.835 -7.534 -3.315 1.00 50.32 C ATOM 1366 C GLY A 93 -8.167 -7.709 -2.727 1.00 21.45 C ATOM 1367 O GLY A 93 -8.392 -8.675 -2.049 1.00 74.21 O ATOM 0 H GLY A 93 -7.424 -5.638 -3.930 1.00 40.30 H new ATOM 0 HA2 GLY A 93 -6.505 -8.452 -3.800 1.00 50.32 H new ATOM 0 HA3 GLY A 93 -6.101 -7.300 -2.544 1.00 50.32 H new