USER MOD reduce.3.24.130724 H: found=0, std=0, add=1015, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1017 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 150 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 644 LYS NZ :NH3+ -154:sc= 1.09 (180deg=0.454) USER MOD Set 2.1: A 177 GLN : amide:sc= -1.6 K(o=-7,f=-14!) USER MOD Set 2.2: A 215 THR OG1 : rot -97:sc= 0.138 USER MOD Set 2.3: A 216 ASN : amide:sc= -5.58! C(o=-7!,f=-7!) USER MOD Set 3.1: A 155 ASN : amide:sc= 0.687 K(o=-0.88,f=-5!) USER MOD Set 3.2: A 157 ASN : amide:sc= -1.57! K(o=-0.88!,f=-2.1) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 LYS NZ :NH3+ 161:sc= 1.18 (180deg=1.04) USER MOD Single : A 158 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 159 THR OG1 : rot 180:sc= -0.0223 USER MOD Single : A 160 THR OG1 : rot 180:sc= -0.682 USER MOD Single : A 163 MET CE :methyl -159:sc= -0.164 (180deg=-0.74) USER MOD Single : A 164 MET CE :methyl 157:sc= -0.213 (180deg=-0.759) USER MOD Single : A 166 SER OG : rot 83:sc= 1.27 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 171 LYS NZ :NH3+ -173:sc= 0.53 (180deg=0.284) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 179 LYS NZ :NH3+ 138:sc= -0.645! (180deg=-1.74!) USER MOD Single : A 182 GLN :FLIP amide:sc= -1.41 F(o=-2.5!,f=-1.4) USER MOD Single : A 183 LYS NZ :NH3+ 151:sc= 1.1 (180deg=-0.0489!) USER MOD Single : A 185 GLN :FLIP amide:sc= -1.35 F(o=-2.6!,f=-1.4) USER MOD Single : A 188 THR OG1 : rot -13:sc= 0.563 USER MOD Single : A 191 HIS : no HD1:sc= 0.963 K(o=0.96,f=-4.1!) USER MOD Single : A 197 SER OG : rot 180:sc= 0 USER MOD Single : A 202 CYS SG : rot -160:sc= 0 USER MOD Single : A 204 GLN : amide:sc= -2.4 K(o=-2.4,f=-10!) USER MOD Single : A 206 SER OG : rot -114:sc= -0.889 USER MOD Single : A 209 THR OG1 : rot 77:sc= 0.824 USER MOD Single : A 219 CYS SG : rot -151:sc= 0.491 USER MOD Single : A 220 LYS NZ :NH3+ 173:sc= 0.929 (180deg=0.456) USER MOD Single : B 633 THR OG1 : rot 54:sc= 1.3 USER MOD Single : B 640 SER OG : rot -22:sc= 0.116 USER MOD Single : B 646 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 647 TYR OH : rot 180:sc= 0 USER MOD Single : B 656 GLN : amide:sc= 0.789 K(o=0.79,f=-1.2!) USER MOD Single : B 657 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0476) USER MOD Single : B 660 ASN : amide:sc= 1.03 K(o=1,f=-0.45) USER MOD Single : B 663 ASN : amide:sc= -3! C(o=-3!,f=-4.8!) USER MOD Single : B 665 GLN : amide:sc= 0.883 K(o=0.88,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 141 -14.547 0.205 3.833 1.00 0.92 N ATOM 45 CA LEU A 141 -14.156 0.282 2.436 1.00 0.75 C ATOM 46 C LEU A 141 -15.357 0.627 1.571 1.00 0.70 C ATOM 47 O LEU A 141 -15.257 1.428 0.650 1.00 0.64 O ATOM 48 CB LEU A 141 -13.532 -1.034 1.958 1.00 0.82 C ATOM 49 CG LEU A 141 -12.218 -1.426 2.641 1.00 0.94 C ATOM 50 CD1 LEU A 141 -11.632 -2.670 1.992 1.00 1.05 C ATOM 51 CD2 LEU A 141 -11.217 -0.283 2.584 1.00 0.88 C ATOM 0 HA LEU A 141 -13.407 1.068 2.343 1.00 0.75 H new ATOM 0 HB2 LEU A 141 -14.255 -1.836 2.112 1.00 0.82 H new ATOM 0 HB3 LEU A 141 -13.357 -0.964 0.884 1.00 0.82 H new ATOM 0 HG LEU A 141 -12.432 -1.644 3.687 1.00 0.94 H new ATOM 0 HD11 LEU A 141 -10.699 -2.935 2.489 1.00 1.05 H new ATOM 0 HD12 LEU A 141 -12.338 -3.495 2.083 1.00 1.05 H new ATOM 0 HD13 LEU A 141 -11.438 -2.473 0.938 1.00 1.05 H new ATOM 0 HD21 LEU A 141 -10.292 -0.585 3.075 1.00 0.88 H new ATOM 0 HD22 LEU A 141 -11.010 -0.032 1.544 1.00 0.88 H new ATOM 0 HD23 LEU A 141 -11.630 0.588 3.092 1.00 0.88 H new ATOM 63 N SER A 142 -16.503 0.048 1.894 1.00 0.90 N ATOM 64 CA SER A 142 -17.717 0.272 1.119 1.00 0.97 C ATOM 65 C SER A 142 -18.144 1.742 1.166 1.00 0.95 C ATOM 66 O SER A 142 -18.908 2.202 0.319 1.00 1.05 O ATOM 67 CB SER A 142 -18.852 -0.621 1.638 1.00 1.21 C ATOM 68 OG SER A 142 -20.023 -0.483 0.848 1.00 1.82 O ATOM 0 H SER A 142 -16.620 -0.581 2.688 1.00 0.90 H new ATOM 0 HA SER A 142 -17.503 0.014 0.082 1.00 0.97 H new ATOM 0 HB2 SER A 142 -18.529 -1.662 1.633 1.00 1.21 H new ATOM 0 HB3 SER A 142 -19.077 -0.362 2.673 1.00 1.21 H new ATOM 0 HG SER A 142 -20.727 -1.065 1.202 1.00 1.82 H new ATOM 74 N GLN A 143 -17.652 2.471 2.160 1.00 0.98 N ATOM 75 CA GLN A 143 -18.000 3.874 2.317 1.00 1.10 C ATOM 76 C GLN A 143 -16.949 4.798 1.695 1.00 0.95 C ATOM 77 O GLN A 143 -17.271 5.618 0.833 1.00 1.02 O ATOM 78 CB GLN A 143 -18.189 4.204 3.801 1.00 1.41 C ATOM 79 CG GLN A 143 -18.456 5.677 4.078 1.00 1.32 C ATOM 80 CD GLN A 143 -18.780 5.948 5.532 1.00 1.79 C ATOM 81 OE1 GLN A 143 -17.887 6.166 6.355 1.00 2.41 O ATOM 82 NE2 GLN A 143 -20.062 5.955 5.852 1.00 2.29 N ATOM 0 H GLN A 143 -17.011 2.112 2.868 1.00 0.98 H new ATOM 0 HA GLN A 143 -18.937 4.045 1.786 1.00 1.10 H new ATOM 0 HB2 GLN A 143 -19.019 3.615 4.191 1.00 1.41 H new ATOM 0 HB3 GLN A 143 -17.297 3.898 4.347 1.00 1.41 H new ATOM 0 HG2 GLN A 143 -17.582 6.261 3.790 1.00 1.32 H new ATOM 0 HG3 GLN A 143 -19.285 6.015 3.456 1.00 1.32 H new ATOM 0 HE21 GLN A 143 -20.767 5.769 5.138 1.00 2.29 H new ATOM 0 HE22 GLN A 143 -20.347 6.146 6.813 1.00 2.29 H new ATOM 91 N LYS A 144 -15.695 4.668 2.124 1.00 0.84 N ATOM 92 CA LYS A 144 -14.667 5.637 1.736 1.00 0.83 C ATOM 93 C LYS A 144 -13.651 5.067 0.747 1.00 0.74 C ATOM 94 O LYS A 144 -12.792 5.796 0.255 1.00 0.88 O ATOM 95 CB LYS A 144 -13.943 6.168 2.981 1.00 1.00 C ATOM 96 CG LYS A 144 -14.846 6.943 3.933 1.00 1.12 C ATOM 97 CD LYS A 144 -14.076 7.482 5.133 1.00 1.33 C ATOM 98 CE LYS A 144 -13.572 6.365 6.035 1.00 1.39 C ATOM 99 NZ LYS A 144 -12.804 6.894 7.194 1.00 1.56 N ATOM 0 H LYS A 144 -15.368 3.916 2.730 1.00 0.84 H new ATOM 0 HA LYS A 144 -15.182 6.452 1.228 1.00 0.83 H new ATOM 0 HB2 LYS A 144 -13.500 5.329 3.518 1.00 1.00 H new ATOM 0 HB3 LYS A 144 -13.123 6.814 2.666 1.00 1.00 H new ATOM 0 HG2 LYS A 144 -15.312 7.771 3.399 1.00 1.12 H new ATOM 0 HG3 LYS A 144 -15.651 6.294 4.279 1.00 1.12 H new ATOM 0 HD2 LYS A 144 -13.231 8.076 4.785 1.00 1.33 H new ATOM 0 HD3 LYS A 144 -14.719 8.149 5.707 1.00 1.33 H new ATOM 0 HE2 LYS A 144 -14.418 5.780 6.396 1.00 1.39 H new ATOM 0 HE3 LYS A 144 -12.940 5.689 5.458 1.00 1.39 H new ATOM 0 HZ1 LYS A 144 -12.755 6.169 7.938 1.00 1.56 H new ATOM 0 HZ2 LYS A 144 -11.841 7.142 6.888 1.00 1.56 H new ATOM 0 HZ3 LYS A 144 -13.278 7.741 7.567 1.00 1.56 H new ATOM 113 N PHE A 145 -13.747 3.782 0.436 1.00 0.66 N ATOM 114 CA PHE A 145 -12.795 3.162 -0.487 1.00 0.65 C ATOM 115 C PHE A 145 -13.487 2.208 -1.463 1.00 0.80 C ATOM 116 O PHE A 145 -13.155 1.024 -1.522 1.00 1.08 O ATOM 117 CB PHE A 145 -11.703 2.410 0.282 1.00 0.54 C ATOM 118 CG PHE A 145 -10.752 3.307 1.025 1.00 0.45 C ATOM 119 CD1 PHE A 145 -9.683 3.890 0.368 1.00 0.41 C ATOM 120 CD2 PHE A 145 -10.930 3.566 2.374 1.00 0.72 C ATOM 121 CE1 PHE A 145 -8.805 4.716 1.042 1.00 0.50 C ATOM 122 CE2 PHE A 145 -10.052 4.390 3.054 1.00 0.70 C ATOM 123 CZ PHE A 145 -8.990 4.966 2.387 1.00 0.51 C ATOM 0 H PHE A 145 -14.462 3.153 0.801 1.00 0.66 H new ATOM 0 HA PHE A 145 -12.340 3.967 -1.064 1.00 0.65 H new ATOM 0 HB2 PHE A 145 -12.175 1.730 0.991 1.00 0.54 H new ATOM 0 HB3 PHE A 145 -11.136 1.797 -0.418 1.00 0.54 H new ATOM 0 HD1 PHE A 145 -9.533 3.697 -0.684 1.00 0.41 H new ATOM 0 HD2 PHE A 145 -11.762 3.120 2.899 1.00 0.72 H new ATOM 0 HE1 PHE A 145 -7.975 5.166 0.518 1.00 0.50 H new ATOM 0 HE2 PHE A 145 -10.197 4.583 4.107 1.00 0.70 H new ATOM 0 HZ PHE A 145 -8.305 5.611 2.916 1.00 0.51 H new ATOM 133 N PRO A 146 -14.449 2.703 -2.264 1.00 0.95 N ATOM 134 CA PRO A 146 -15.169 1.873 -3.220 1.00 1.20 C ATOM 135 C PRO A 146 -14.431 1.768 -4.552 1.00 1.16 C ATOM 136 O PRO A 146 -14.970 1.269 -5.540 1.00 1.34 O ATOM 137 CB PRO A 146 -16.491 2.623 -3.387 1.00 1.61 C ATOM 138 CG PRO A 146 -16.139 4.061 -3.200 1.00 1.75 C ATOM 139 CD PRO A 146 -14.913 4.104 -2.313 1.00 1.23 C ATOM 0 HA PRO A 146 -15.287 0.843 -2.882 1.00 1.20 H new ATOM 0 HB2 PRO A 146 -16.924 2.447 -4.371 1.00 1.61 H new ATOM 0 HB3 PRO A 146 -17.227 2.297 -2.652 1.00 1.61 H new ATOM 0 HG2 PRO A 146 -15.938 4.537 -4.160 1.00 1.75 H new ATOM 0 HG3 PRO A 146 -16.966 4.604 -2.742 1.00 1.75 H new ATOM 0 HD2 PRO A 146 -14.148 4.762 -2.724 1.00 1.23 H new ATOM 0 HD3 PRO A 146 -15.155 4.478 -1.318 1.00 1.23 H new ATOM 147 N GLU A 147 -13.191 2.234 -4.560 1.00 1.10 N ATOM 148 CA GLU A 147 -12.381 2.244 -5.769 1.00 1.30 C ATOM 149 C GLU A 147 -11.377 1.096 -5.754 1.00 1.02 C ATOM 150 O GLU A 147 -10.580 0.949 -6.679 1.00 1.03 O ATOM 151 CB GLU A 147 -11.632 3.573 -5.894 1.00 1.64 C ATOM 152 CG GLU A 147 -12.531 4.799 -5.878 1.00 1.61 C ATOM 153 CD GLU A 147 -13.541 4.801 -7.009 1.00 1.74 C ATOM 154 OE1 GLU A 147 -13.126 4.897 -8.181 1.00 2.18 O ATOM 155 OE2 GLU A 147 -14.754 4.700 -6.731 1.00 1.73 O ATOM 0 H GLU A 147 -12.721 2.612 -3.737 1.00 1.10 H new ATOM 0 HA GLU A 147 -13.046 2.122 -6.624 1.00 1.30 H new ATOM 0 HB2 GLU A 147 -10.915 3.651 -5.077 1.00 1.64 H new ATOM 0 HB3 GLU A 147 -11.059 3.568 -6.821 1.00 1.64 H new ATOM 0 HG2 GLU A 147 -13.059 4.845 -4.925 1.00 1.61 H new ATOM 0 HG3 GLU A 147 -11.916 5.696 -5.945 1.00 1.61 H new ATOM 162 N LEU A 148 -11.417 0.289 -4.699 1.00 0.87 N ATOM 163 CA LEU A 148 -10.451 -0.784 -4.525 1.00 0.76 C ATOM 164 C LEU A 148 -10.656 -1.916 -5.521 1.00 0.97 C ATOM 165 O LEU A 148 -11.742 -2.490 -5.621 1.00 1.22 O ATOM 166 CB LEU A 148 -10.501 -1.347 -3.108 1.00 0.71 C ATOM 167 CG LEU A 148 -10.057 -0.389 -2.006 1.00 0.56 C ATOM 168 CD1 LEU A 148 -10.047 -1.102 -0.672 1.00 0.62 C ATOM 169 CD2 LEU A 148 -8.682 0.183 -2.311 1.00 0.54 C ATOM 0 H LEU A 148 -12.109 0.360 -3.953 1.00 0.87 H new ATOM 0 HA LEU A 148 -9.471 -0.342 -4.707 1.00 0.76 H new ATOM 0 HB2 LEU A 148 -11.522 -1.667 -2.898 1.00 0.71 H new ATOM 0 HB3 LEU A 148 -9.873 -2.237 -3.067 1.00 0.71 H new ATOM 0 HG LEU A 148 -10.766 0.437 -1.959 1.00 0.56 H new ATOM 0 HD11 LEU A 148 -9.729 -0.410 0.108 1.00 0.62 H new ATOM 0 HD12 LEU A 148 -11.049 -1.467 -0.447 1.00 0.62 H new ATOM 0 HD13 LEU A 148 -9.356 -1.944 -0.714 1.00 0.62 H new ATOM 0 HD21 LEU A 148 -8.386 0.863 -1.512 1.00 0.54 H new ATOM 0 HD22 LEU A 148 -7.958 -0.629 -2.384 1.00 0.54 H new ATOM 0 HD23 LEU A 148 -8.715 0.725 -3.256 1.00 0.54 H new ATOM 181 N PRO A 149 -9.602 -2.242 -6.279 1.00 0.92 N ATOM 182 CA PRO A 149 -9.575 -3.412 -7.137 1.00 1.11 C ATOM 183 C PRO A 149 -9.153 -4.645 -6.339 1.00 1.19 C ATOM 184 O PRO A 149 -8.479 -4.527 -5.315 1.00 1.14 O ATOM 185 CB PRO A 149 -8.519 -3.058 -8.195 1.00 1.17 C ATOM 186 CG PRO A 149 -7.934 -1.734 -7.789 1.00 0.92 C ATOM 187 CD PRO A 149 -8.346 -1.497 -6.364 1.00 0.74 C ATOM 0 HA PRO A 149 -10.546 -3.648 -7.573 1.00 1.11 H new ATOM 0 HB2 PRO A 149 -7.746 -3.825 -8.243 1.00 1.17 H new ATOM 0 HB3 PRO A 149 -8.969 -2.996 -9.186 1.00 1.17 H new ATOM 0 HG2 PRO A 149 -6.848 -1.747 -7.881 1.00 0.92 H new ATOM 0 HG3 PRO A 149 -8.299 -0.936 -8.435 1.00 0.92 H new ATOM 0 HD2 PRO A 149 -7.603 -1.869 -5.658 1.00 0.74 H new ATOM 0 HD3 PRO A 149 -8.486 -0.437 -6.151 1.00 0.74 H new ATOM 195 N SER A 150 -9.541 -5.823 -6.804 1.00 1.35 N ATOM 196 CA SER A 150 -9.314 -7.046 -6.040 1.00 1.45 C ATOM 197 C SER A 150 -7.920 -7.614 -6.293 1.00 1.42 C ATOM 198 O SER A 150 -7.428 -8.443 -5.527 1.00 1.56 O ATOM 199 CB SER A 150 -10.387 -8.085 -6.372 1.00 1.60 C ATOM 200 OG SER A 150 -10.373 -8.426 -7.748 1.00 2.32 O ATOM 0 H SER A 150 -10.011 -5.961 -7.699 1.00 1.35 H new ATOM 0 HA SER A 150 -9.380 -6.797 -4.981 1.00 1.45 H new ATOM 0 HB2 SER A 150 -10.225 -8.981 -5.773 1.00 1.60 H new ATOM 0 HB3 SER A 150 -11.368 -7.695 -6.103 1.00 1.60 H new ATOM 0 HG SER A 150 -11.069 -9.093 -7.927 1.00 2.32 H new ATOM 206 N GLY A 151 -7.307 -7.171 -7.376 1.00 1.29 N ATOM 207 CA GLY A 151 -5.956 -7.590 -7.688 1.00 1.28 C ATOM 208 C GLY A 151 -5.928 -8.771 -8.635 1.00 1.24 C ATOM 209 O GLY A 151 -6.977 -9.316 -8.985 1.00 1.36 O ATOM 0 H GLY A 151 -7.721 -6.526 -8.049 1.00 1.29 H new ATOM 0 HA2 GLY A 151 -5.413 -6.757 -8.133 1.00 1.28 H new ATOM 0 HA3 GLY A 151 -5.437 -7.853 -6.766 1.00 1.28 H new ATOM 213 N ILE A 152 -4.732 -9.170 -9.037 1.00 1.15 N ATOM 214 CA ILE A 152 -4.559 -10.258 -9.995 1.00 1.16 C ATOM 215 C ILE A 152 -4.735 -11.615 -9.323 1.00 1.24 C ATOM 216 O ILE A 152 -4.707 -11.727 -8.094 1.00 1.30 O ATOM 217 CB ILE A 152 -3.150 -10.229 -10.630 1.00 1.08 C ATOM 218 CG1 ILE A 152 -2.096 -10.444 -9.538 1.00 1.05 C ATOM 219 CG2 ILE A 152 -2.916 -8.917 -11.369 1.00 1.06 C ATOM 220 CD1 ILE A 152 -0.677 -10.556 -10.044 1.00 1.00 C ATOM 0 H ILE A 152 -3.858 -8.755 -8.714 1.00 1.15 H new ATOM 0 HA ILE A 152 -5.318 -10.117 -10.764 1.00 1.16 H new ATOM 0 HB ILE A 152 -3.069 -11.033 -11.361 1.00 1.08 H new ATOM 0 HG12 ILE A 152 -2.151 -9.616 -8.831 1.00 1.05 H new ATOM 0 HG13 ILE A 152 -2.343 -11.351 -8.987 1.00 1.05 H new ATOM 0 HG21 ILE A 152 -1.918 -8.919 -11.808 1.00 1.06 H new ATOM 0 HG22 ILE A 152 -3.659 -8.807 -12.159 1.00 1.06 H new ATOM 0 HG23 ILE A 152 -3.003 -8.085 -10.670 1.00 1.06 H new ATOM 0 HD11 ILE A 152 -0.001 -10.707 -9.202 1.00 1.00 H new ATOM 0 HD12 ILE A 152 -0.600 -11.402 -10.727 1.00 1.00 H new ATOM 0 HD13 ILE A 152 -0.404 -9.640 -10.569 1.00 1.00 H new ATOM 232 N ASP A 153 -4.930 -12.636 -10.140 1.00 1.33 N ATOM 233 CA ASP A 153 -4.866 -14.009 -9.671 1.00 1.40 C ATOM 234 C ASP A 153 -3.461 -14.537 -9.922 1.00 1.38 C ATOM 235 O ASP A 153 -2.825 -14.182 -10.917 1.00 1.40 O ATOM 236 CB ASP A 153 -5.920 -14.888 -10.362 1.00 1.56 C ATOM 237 CG ASP A 153 -5.759 -14.955 -11.869 1.00 2.38 C ATOM 238 OD1 ASP A 153 -6.125 -13.973 -12.554 1.00 3.20 O ATOM 239 OD2 ASP A 153 -5.296 -16.001 -12.374 1.00 2.83 O ATOM 0 H ASP A 153 -5.135 -12.539 -11.135 1.00 1.33 H new ATOM 0 HA ASP A 153 -5.086 -14.039 -8.604 1.00 1.40 H new ATOM 0 HB2 ASP A 153 -5.864 -15.897 -9.953 1.00 1.56 H new ATOM 0 HB3 ASP A 153 -6.913 -14.503 -10.127 1.00 1.56 H new ATOM 244 N VAL A 154 -2.964 -15.360 -9.017 1.00 1.41 N ATOM 245 CA VAL A 154 -1.577 -15.789 -9.067 1.00 1.39 C ATOM 246 C VAL A 154 -1.489 -17.302 -9.059 1.00 1.51 C ATOM 247 O VAL A 154 -2.146 -17.968 -8.260 1.00 1.60 O ATOM 248 CB VAL A 154 -0.759 -15.219 -7.883 1.00 1.31 C ATOM 249 CG1 VAL A 154 0.683 -15.717 -7.914 1.00 1.31 C ATOM 250 CG2 VAL A 154 -0.793 -13.699 -7.901 1.00 1.18 C ATOM 0 H VAL A 154 -3.499 -15.745 -8.239 1.00 1.41 H new ATOM 0 HA VAL A 154 -1.153 -15.403 -9.994 1.00 1.39 H new ATOM 0 HB VAL A 154 -1.216 -15.573 -6.959 1.00 1.31 H new ATOM 0 HG11 VAL A 154 1.231 -15.299 -7.070 1.00 1.31 H new ATOM 0 HG12 VAL A 154 0.694 -16.805 -7.850 1.00 1.31 H new ATOM 0 HG13 VAL A 154 1.156 -15.404 -8.845 1.00 1.31 H new ATOM 0 HG21 VAL A 154 -0.214 -13.312 -7.063 1.00 1.18 H new ATOM 0 HG22 VAL A 154 -0.365 -13.337 -8.836 1.00 1.18 H new ATOM 0 HG23 VAL A 154 -1.825 -13.357 -7.817 1.00 1.18 H new ATOM 260 N ASN A 155 -0.667 -17.837 -9.941 1.00 1.59 N ATOM 261 CA ASN A 155 -0.487 -19.271 -10.033 1.00 1.69 C ATOM 262 C ASN A 155 0.532 -19.713 -8.989 1.00 1.65 C ATOM 263 O ASN A 155 1.716 -19.898 -9.285 1.00 1.66 O ATOM 264 CB ASN A 155 -0.036 -19.650 -11.443 1.00 1.79 C ATOM 265 CG ASN A 155 -0.063 -21.148 -11.690 1.00 2.07 C ATOM 266 OD1 ASN A 155 0.097 -21.949 -10.770 1.00 2.69 O ATOM 267 ND2 ASN A 155 -0.259 -21.535 -12.940 1.00 2.17 N ATOM 0 H ASN A 155 -0.112 -17.297 -10.605 1.00 1.59 H new ATOM 0 HA ASN A 155 -1.431 -19.780 -9.837 1.00 1.69 H new ATOM 0 HB2 ASN A 155 -0.680 -19.155 -12.170 1.00 1.79 H new ATOM 0 HB3 ASN A 155 0.975 -19.278 -11.608 1.00 1.79 H new ATOM 0 HD21 ASN A 155 -0.281 -22.529 -13.169 1.00 2.17 H new ATOM 0 HD22 ASN A 155 -0.388 -20.840 -13.675 1.00 2.17 H new ATOM 274 N ILE A 156 0.054 -19.885 -7.766 1.00 1.64 N ATOM 275 CA ILE A 156 0.920 -20.139 -6.625 1.00 1.62 C ATOM 276 C ILE A 156 1.358 -21.599 -6.527 1.00 1.69 C ATOM 277 O ILE A 156 1.685 -22.089 -5.447 1.00 1.73 O ATOM 278 CB ILE A 156 0.253 -19.690 -5.311 1.00 1.63 C ATOM 279 CG1 ILE A 156 -1.188 -20.208 -5.232 1.00 1.74 C ATOM 280 CG2 ILE A 156 0.295 -18.173 -5.203 1.00 1.51 C ATOM 281 CD1 ILE A 156 -1.956 -19.700 -4.027 1.00 1.80 C ATOM 0 H ILE A 156 -0.939 -19.853 -7.537 1.00 1.64 H new ATOM 0 HA ILE A 156 1.820 -19.545 -6.786 1.00 1.62 H new ATOM 0 HB ILE A 156 0.804 -20.113 -4.471 1.00 1.63 H new ATOM 0 HG12 ILE A 156 -1.719 -19.917 -6.138 1.00 1.74 H new ATOM 0 HG13 ILE A 156 -1.172 -21.298 -5.208 1.00 1.74 H new ATOM 0 HG21 ILE A 156 -0.178 -17.861 -4.272 1.00 1.51 H new ATOM 0 HG22 ILE A 156 1.332 -17.836 -5.214 1.00 1.51 H new ATOM 0 HG23 ILE A 156 -0.238 -17.733 -6.046 1.00 1.51 H new ATOM 0 HD11 ILE A 156 -2.966 -20.109 -4.040 1.00 1.80 H new ATOM 0 HD12 ILE A 156 -1.449 -20.013 -3.114 1.00 1.80 H new ATOM 0 HD13 ILE A 156 -2.005 -18.612 -4.059 1.00 1.80 H new ATOM 293 N ASN A 157 1.366 -22.286 -7.659 1.00 1.73 N ATOM 294 CA ASN A 157 1.984 -23.602 -7.743 1.00 1.77 C ATOM 295 C ASN A 157 3.356 -23.459 -8.392 1.00 1.79 C ATOM 296 O ASN A 157 4.250 -24.283 -8.192 1.00 1.77 O ATOM 297 CB ASN A 157 1.103 -24.582 -8.542 1.00 1.92 C ATOM 298 CG ASN A 157 1.712 -24.992 -9.876 1.00 2.12 C ATOM 299 OD1 ASN A 157 2.450 -25.975 -9.964 1.00 2.43 O ATOM 300 ND2 ASN A 157 1.396 -24.250 -10.922 1.00 2.67 N ATOM 0 H ASN A 157 0.953 -21.956 -8.531 1.00 1.73 H new ATOM 0 HA ASN A 157 2.093 -24.012 -6.739 1.00 1.77 H new ATOM 0 HB2 ASN A 157 0.928 -25.474 -7.941 1.00 1.92 H new ATOM 0 HB3 ASN A 157 0.131 -24.122 -8.721 1.00 1.92 H new ATOM 0 HD21 ASN A 157 1.766 -24.483 -11.843 1.00 2.67 H new ATOM 0 HD22 ASN A 157 0.782 -23.444 -10.808 1.00 2.67 H new ATOM 307 N MET A 158 3.515 -22.382 -9.155 1.00 1.90 N ATOM 308 CA MET A 158 4.751 -22.119 -9.881 1.00 2.03 C ATOM 309 C MET A 158 5.598 -21.090 -9.152 1.00 2.06 C ATOM 310 O MET A 158 6.812 -21.022 -9.339 1.00 2.54 O ATOM 311 CB MET A 158 4.440 -21.603 -11.288 1.00 2.22 C ATOM 312 CG MET A 158 3.890 -22.651 -12.235 1.00 2.49 C ATOM 313 SD MET A 158 5.035 -24.017 -12.489 1.00 2.73 S ATOM 314 CE MET A 158 4.201 -24.903 -13.803 1.00 3.33 C ATOM 0 H MET A 158 2.795 -21.672 -9.287 1.00 1.90 H new ATOM 0 HA MET A 158 5.305 -23.055 -9.947 1.00 2.03 H new ATOM 0 HB2 MET A 158 3.721 -20.788 -11.211 1.00 2.22 H new ATOM 0 HB3 MET A 158 5.351 -21.186 -11.718 1.00 2.22 H new ATOM 0 HG2 MET A 158 2.951 -23.037 -11.839 1.00 2.49 H new ATOM 0 HG3 MET A 158 3.664 -22.187 -13.195 1.00 2.49 H new ATOM 0 HE1 MET A 158 4.785 -25.781 -14.077 1.00 3.33 H new ATOM 0 HE2 MET A 158 3.214 -25.216 -13.462 1.00 3.33 H new ATOM 0 HE3 MET A 158 4.095 -24.252 -14.671 1.00 3.33 H new ATOM 324 N THR A 159 4.952 -20.292 -8.320 1.00 1.70 N ATOM 325 CA THR A 159 5.606 -19.162 -7.692 1.00 1.67 C ATOM 326 C THR A 159 4.818 -18.699 -6.475 1.00 1.55 C ATOM 327 O THR A 159 3.638 -19.021 -6.335 1.00 1.48 O ATOM 328 CB THR A 159 5.735 -18.012 -8.712 1.00 1.68 C ATOM 329 OG1 THR A 159 6.321 -16.851 -8.113 1.00 1.80 O ATOM 330 CG2 THR A 159 4.377 -17.665 -9.310 1.00 1.69 C ATOM 0 H THR A 159 3.971 -20.408 -8.064 1.00 1.70 H new ATOM 0 HA THR A 159 6.599 -19.465 -7.361 1.00 1.67 H new ATOM 0 HB THR A 159 6.393 -18.353 -9.511 1.00 1.68 H new ATOM 0 HG1 THR A 159 6.392 -16.138 -8.782 1.00 1.80 H new ATOM 0 HG21 THR A 159 4.492 -16.852 -10.026 1.00 1.69 H new ATOM 0 HG22 THR A 159 3.968 -18.539 -9.816 1.00 1.69 H new ATOM 0 HG23 THR A 159 3.698 -17.355 -8.516 1.00 1.69 H new ATOM 338 N THR A 160 5.476 -17.966 -5.591 1.00 1.57 N ATOM 339 CA THR A 160 4.824 -17.419 -4.415 1.00 1.48 C ATOM 340 C THR A 160 4.452 -15.961 -4.649 1.00 1.30 C ATOM 341 O THR A 160 5.132 -15.268 -5.413 1.00 1.25 O ATOM 342 CB THR A 160 5.722 -17.529 -3.168 1.00 1.57 C ATOM 343 OG1 THR A 160 7.017 -16.997 -3.454 1.00 1.57 O ATOM 344 CG2 THR A 160 5.850 -18.972 -2.715 1.00 1.87 C ATOM 0 H THR A 160 6.467 -17.736 -5.668 1.00 1.57 H new ATOM 0 HA THR A 160 3.921 -18.003 -4.238 1.00 1.48 H new ATOM 0 HB THR A 160 5.261 -16.956 -2.364 1.00 1.57 H new ATOM 0 HG1 THR A 160 7.583 -17.068 -2.657 1.00 1.57 H new ATOM 0 HG21 THR A 160 6.489 -19.021 -1.833 1.00 1.87 H new ATOM 0 HG22 THR A 160 4.863 -19.365 -2.471 1.00 1.87 H new ATOM 0 HG23 THR A 160 6.290 -19.567 -3.515 1.00 1.87 H new ATOM 352 N PRO A 161 3.369 -15.476 -4.024 1.00 1.25 N ATOM 353 CA PRO A 161 2.883 -14.110 -4.240 1.00 1.10 C ATOM 354 C PRO A 161 3.990 -13.068 -4.116 1.00 1.04 C ATOM 355 O PRO A 161 4.137 -12.198 -4.980 1.00 0.96 O ATOM 356 CB PRO A 161 1.846 -13.926 -3.130 1.00 1.13 C ATOM 357 CG PRO A 161 1.362 -15.304 -2.833 1.00 1.37 C ATOM 358 CD PRO A 161 2.530 -16.220 -3.066 1.00 1.35 C ATOM 0 HA PRO A 161 2.483 -13.975 -5.245 1.00 1.10 H new ATOM 0 HB2 PRO A 161 2.288 -13.463 -2.248 1.00 1.13 H new ATOM 0 HB3 PRO A 161 1.029 -13.281 -3.454 1.00 1.13 H new ATOM 0 HG2 PRO A 161 1.008 -15.379 -1.805 1.00 1.37 H new ATOM 0 HG3 PRO A 161 0.525 -15.570 -3.478 1.00 1.37 H new ATOM 0 HD2 PRO A 161 3.067 -16.428 -2.141 1.00 1.35 H new ATOM 0 HD3 PRO A 161 2.212 -17.180 -3.473 1.00 1.35 H new ATOM 366 N ALA A 162 4.796 -13.202 -3.063 1.00 1.12 N ATOM 367 CA ALA A 162 5.856 -12.246 -2.751 1.00 1.15 C ATOM 368 C ALA A 162 6.850 -12.093 -3.899 1.00 1.12 C ATOM 369 O ALA A 162 7.382 -11.008 -4.116 1.00 1.08 O ATOM 370 CB ALA A 162 6.585 -12.663 -1.479 1.00 1.37 C ATOM 0 H ALA A 162 4.732 -13.977 -2.403 1.00 1.12 H new ATOM 0 HA ALA A 162 5.383 -11.276 -2.597 1.00 1.15 H new ATOM 0 HB1 ALA A 162 7.372 -11.942 -1.258 1.00 1.37 H new ATOM 0 HB2 ALA A 162 5.879 -12.695 -0.649 1.00 1.37 H new ATOM 0 HB3 ALA A 162 7.026 -13.650 -1.619 1.00 1.37 H new ATOM 376 N MET A 163 7.092 -13.175 -4.631 1.00 1.16 N ATOM 377 CA MET A 163 8.019 -13.142 -5.759 1.00 1.24 C ATOM 378 C MET A 163 7.526 -12.178 -6.836 1.00 1.08 C ATOM 379 O MET A 163 8.287 -11.351 -7.340 1.00 1.04 O ATOM 380 CB MET A 163 8.200 -14.540 -6.355 1.00 1.46 C ATOM 381 CG MET A 163 8.981 -15.493 -5.461 1.00 2.02 C ATOM 382 SD MET A 163 10.687 -14.968 -5.198 1.00 2.40 S ATOM 383 CE MET A 163 11.317 -15.022 -6.873 1.00 2.50 C ATOM 0 H MET A 163 6.661 -14.084 -4.465 1.00 1.16 H new ATOM 0 HA MET A 163 8.983 -12.792 -5.389 1.00 1.24 H new ATOM 0 HB2 MET A 163 7.218 -14.969 -6.557 1.00 1.46 H new ATOM 0 HB3 MET A 163 8.713 -14.453 -7.313 1.00 1.46 H new ATOM 0 HG2 MET A 163 8.478 -15.574 -4.497 1.00 2.02 H new ATOM 0 HG3 MET A 163 8.977 -16.488 -5.907 1.00 2.02 H new ATOM 0 HE1 MET A 163 12.404 -15.094 -6.851 1.00 2.50 H new ATOM 0 HE2 MET A 163 10.906 -15.890 -7.388 1.00 2.50 H new ATOM 0 HE3 MET A 163 11.024 -14.114 -7.401 1.00 2.50 H new ATOM 393 N MET A 164 6.244 -12.271 -7.168 1.00 1.04 N ATOM 394 CA MET A 164 5.661 -11.402 -8.185 1.00 0.97 C ATOM 395 C MET A 164 5.484 -9.990 -7.642 1.00 0.83 C ATOM 396 O MET A 164 5.603 -9.014 -8.381 1.00 0.85 O ATOM 397 CB MET A 164 4.322 -11.956 -8.683 1.00 1.04 C ATOM 398 CG MET A 164 4.454 -13.287 -9.407 1.00 1.06 C ATOM 399 SD MET A 164 2.896 -13.871 -10.101 1.00 1.71 S ATOM 400 CE MET A 164 2.530 -12.559 -11.265 1.00 1.81 C ATOM 0 H MET A 164 5.591 -12.935 -6.751 1.00 1.04 H new ATOM 0 HA MET A 164 6.347 -11.367 -9.031 1.00 0.97 H new ATOM 0 HB2 MET A 164 3.649 -12.077 -7.835 1.00 1.04 H new ATOM 0 HB3 MET A 164 3.863 -11.230 -9.353 1.00 1.04 H new ATOM 0 HG2 MET A 164 5.187 -13.187 -10.208 1.00 1.06 H new ATOM 0 HG3 MET A 164 4.839 -14.035 -8.714 1.00 1.06 H new ATOM 0 HE1 MET A 164 1.862 -12.936 -12.039 1.00 1.81 H new ATOM 0 HE2 MET A 164 2.050 -11.732 -10.742 1.00 1.81 H new ATOM 0 HE3 MET A 164 3.456 -12.210 -11.723 1.00 1.81 H new ATOM 410 N ILE A 165 5.222 -9.899 -6.338 1.00 0.75 N ATOM 411 CA ILE A 165 5.108 -8.618 -5.645 1.00 0.65 C ATOM 412 C ILE A 165 6.421 -7.855 -5.715 1.00 0.62 C ATOM 413 O ILE A 165 6.439 -6.638 -5.906 1.00 0.56 O ATOM 414 CB ILE A 165 4.733 -8.817 -4.160 1.00 0.69 C ATOM 415 CG1 ILE A 165 3.325 -9.398 -4.040 1.00 0.74 C ATOM 416 CG2 ILE A 165 4.838 -7.500 -3.397 1.00 0.68 C ATOM 417 CD1 ILE A 165 2.983 -9.874 -2.646 1.00 0.90 C ATOM 0 H ILE A 165 5.083 -10.710 -5.735 1.00 0.75 H new ATOM 0 HA ILE A 165 4.321 -8.051 -6.142 1.00 0.65 H new ATOM 0 HB ILE A 165 5.437 -9.523 -3.718 1.00 0.69 H new ATOM 0 HG12 ILE A 165 2.602 -8.641 -4.344 1.00 0.74 H new ATOM 0 HG13 ILE A 165 3.225 -10.232 -4.734 1.00 0.74 H new ATOM 0 HG21 ILE A 165 4.570 -7.662 -2.353 1.00 0.68 H new ATOM 0 HG22 ILE A 165 5.860 -7.126 -3.455 1.00 0.68 H new ATOM 0 HG23 ILE A 165 4.159 -6.770 -3.837 1.00 0.68 H new ATOM 0 HD11 ILE A 165 1.969 -10.274 -2.637 1.00 0.90 H new ATOM 0 HD12 ILE A 165 3.683 -10.654 -2.346 1.00 0.90 H new ATOM 0 HD13 ILE A 165 3.050 -9.038 -1.949 1.00 0.90 H new ATOM 429 N SER A 166 7.523 -8.585 -5.632 1.00 0.71 N ATOM 430 CA SER A 166 8.818 -7.958 -5.526 1.00 0.73 C ATOM 431 C SER A 166 9.247 -7.517 -6.908 1.00 0.65 C ATOM 432 O SER A 166 9.798 -6.432 -7.087 1.00 0.65 O ATOM 433 CB SER A 166 9.848 -8.924 -4.928 1.00 0.87 C ATOM 434 OG SER A 166 11.094 -8.279 -4.726 1.00 1.94 O ATOM 0 H SER A 166 7.540 -9.605 -5.636 1.00 0.71 H new ATOM 0 HA SER A 166 8.754 -7.097 -4.861 1.00 0.73 H new ATOM 0 HB2 SER A 166 9.478 -9.313 -3.979 1.00 0.87 H new ATOM 0 HB3 SER A 166 9.980 -9.777 -5.593 1.00 0.87 H new ATOM 0 HG SER A 166 11.074 -7.787 -3.878 1.00 1.94 H new ATOM 440 N SER A 167 8.954 -8.362 -7.892 1.00 0.70 N ATOM 441 CA SER A 167 9.279 -8.055 -9.267 1.00 0.63 C ATOM 442 C SER A 167 8.544 -6.792 -9.710 1.00 0.50 C ATOM 443 O SER A 167 9.186 -5.812 -10.055 1.00 0.71 O ATOM 444 CB SER A 167 8.929 -9.232 -10.180 1.00 0.78 C ATOM 445 OG SER A 167 9.550 -9.099 -11.449 1.00 1.37 O ATOM 0 H SER A 167 8.493 -9.261 -7.756 1.00 0.70 H new ATOM 0 HA SER A 167 10.352 -7.878 -9.341 1.00 0.63 H new ATOM 0 HB2 SER A 167 9.246 -10.165 -9.713 1.00 0.78 H new ATOM 0 HB3 SER A 167 7.848 -9.289 -10.305 1.00 0.78 H new ATOM 0 HG SER A 167 9.311 -9.865 -12.012 1.00 1.37 H new ATOM 451 N GLU A 168 7.204 -6.827 -9.705 1.00 0.56 N ATOM 452 CA GLU A 168 6.377 -5.650 -10.026 1.00 0.44 C ATOM 453 C GLU A 168 6.902 -4.351 -9.428 1.00 0.34 C ATOM 454 O GLU A 168 7.220 -3.414 -10.161 1.00 0.48 O ATOM 455 CB GLU A 168 4.946 -5.876 -9.538 1.00 0.53 C ATOM 456 CG GLU A 168 3.956 -4.870 -10.097 1.00 0.95 C ATOM 457 CD GLU A 168 4.044 -4.742 -11.605 1.00 1.02 C ATOM 458 OE1 GLU A 168 3.683 -5.708 -12.309 1.00 1.26 O ATOM 459 OE2 GLU A 168 4.435 -3.668 -12.099 1.00 1.21 O ATOM 0 H GLU A 168 6.664 -7.663 -9.481 1.00 0.56 H new ATOM 0 HA GLU A 168 6.412 -5.541 -11.110 1.00 0.44 H new ATOM 0 HB2 GLU A 168 4.629 -6.881 -9.816 1.00 0.53 H new ATOM 0 HB3 GLU A 168 4.928 -5.826 -8.449 1.00 0.53 H new ATOM 0 HG2 GLU A 168 2.945 -5.168 -9.820 1.00 0.95 H new ATOM 0 HG3 GLU A 168 4.137 -3.896 -9.642 1.00 0.95 H new ATOM 466 N LEU A 169 6.999 -4.295 -8.112 1.00 0.36 N ATOM 467 CA LEU A 169 7.401 -3.071 -7.436 1.00 0.45 C ATOM 468 C LEU A 169 8.797 -2.638 -7.871 1.00 0.50 C ATOM 469 O LEU A 169 9.007 -1.494 -8.278 1.00 0.50 O ATOM 470 CB LEU A 169 7.346 -3.273 -5.923 1.00 0.54 C ATOM 471 CG LEU A 169 5.971 -3.672 -5.381 1.00 0.47 C ATOM 472 CD1 LEU A 169 6.044 -3.939 -3.887 1.00 0.66 C ATOM 473 CD2 LEU A 169 4.940 -2.595 -5.685 1.00 0.47 C ATOM 0 H LEU A 169 6.806 -5.080 -7.490 1.00 0.36 H new ATOM 0 HA LEU A 169 6.707 -2.277 -7.713 1.00 0.45 H new ATOM 0 HB2 LEU A 169 8.068 -4.042 -5.646 1.00 0.54 H new ATOM 0 HB3 LEU A 169 7.660 -2.350 -5.435 1.00 0.54 H new ATOM 0 HG LEU A 169 5.660 -4.590 -5.879 1.00 0.47 H new ATOM 0 HD11 LEU A 169 5.058 -4.221 -3.519 1.00 0.66 H new ATOM 0 HD12 LEU A 169 6.748 -4.749 -3.696 1.00 0.66 H new ATOM 0 HD13 LEU A 169 6.379 -3.038 -3.372 1.00 0.66 H new ATOM 0 HD21 LEU A 169 3.970 -2.898 -5.291 1.00 0.47 H new ATOM 0 HD22 LEU A 169 5.244 -1.658 -5.218 1.00 0.47 H new ATOM 0 HD23 LEU A 169 4.866 -2.456 -6.764 1.00 0.47 H new ATOM 485 N ALA A 170 9.739 -3.562 -7.789 1.00 0.55 N ATOM 486 CA ALA A 170 11.124 -3.282 -8.131 1.00 0.60 C ATOM 487 C ALA A 170 11.345 -3.025 -9.630 1.00 0.59 C ATOM 488 O ALA A 170 12.346 -2.411 -10.003 1.00 0.64 O ATOM 489 CB ALA A 170 12.015 -4.412 -7.643 1.00 0.62 C ATOM 0 H ALA A 170 9.568 -4.521 -7.486 1.00 0.55 H new ATOM 0 HA ALA A 170 11.392 -2.354 -7.626 1.00 0.60 H new ATOM 0 HB1 ALA A 170 13.051 -4.196 -7.902 1.00 0.62 H new ATOM 0 HB2 ALA A 170 11.924 -4.506 -6.561 1.00 0.62 H new ATOM 0 HB3 ALA A 170 11.710 -5.346 -8.115 1.00 0.62 H new ATOM 495 N LYS A 171 10.436 -3.486 -10.495 1.00 0.55 N ATOM 496 CA LYS A 171 10.596 -3.264 -11.931 1.00 0.59 C ATOM 497 C LYS A 171 9.921 -1.972 -12.368 1.00 0.64 C ATOM 498 O LYS A 171 9.907 -1.637 -13.555 1.00 0.78 O ATOM 499 CB LYS A 171 10.099 -4.451 -12.772 1.00 0.58 C ATOM 500 CG LYS A 171 8.592 -4.695 -12.773 1.00 0.63 C ATOM 501 CD LYS A 171 8.246 -5.850 -13.707 1.00 0.67 C ATOM 502 CE LYS A 171 6.816 -6.347 -13.524 1.00 0.96 C ATOM 503 NZ LYS A 171 5.796 -5.360 -13.973 1.00 0.93 N ATOM 0 H LYS A 171 9.598 -4.005 -10.231 1.00 0.55 H new ATOM 0 HA LYS A 171 11.667 -3.172 -12.112 1.00 0.59 H new ATOM 0 HB2 LYS A 171 10.422 -4.299 -13.802 1.00 0.58 H new ATOM 0 HB3 LYS A 171 10.592 -5.355 -12.413 1.00 0.58 H new ATOM 0 HG2 LYS A 171 8.252 -4.921 -11.762 1.00 0.63 H new ATOM 0 HG3 LYS A 171 8.070 -3.792 -13.090 1.00 0.63 H new ATOM 0 HD2 LYS A 171 8.386 -5.531 -14.740 1.00 0.67 H new ATOM 0 HD3 LYS A 171 8.938 -6.674 -13.531 1.00 0.67 H new ATOM 0 HE2 LYS A 171 6.686 -7.275 -14.081 1.00 0.96 H new ATOM 0 HE3 LYS A 171 6.650 -6.580 -12.472 1.00 0.96 H new ATOM 0 HZ1 LYS A 171 4.847 -5.700 -13.717 1.00 0.93 H new ATOM 0 HZ2 LYS A 171 5.972 -4.445 -13.512 1.00 0.93 H new ATOM 0 HZ3 LYS A 171 5.855 -5.245 -15.005 1.00 0.93 H new ATOM 517 N LYS A 172 9.345 -1.254 -11.415 1.00 0.60 N ATOM 518 CA LYS A 172 8.923 0.112 -11.660 1.00 0.64 C ATOM 519 C LYS A 172 10.160 0.997 -11.647 1.00 0.54 C ATOM 520 O LYS A 172 10.946 0.941 -10.704 1.00 0.62 O ATOM 521 CB LYS A 172 7.945 0.600 -10.586 1.00 0.80 C ATOM 522 CG LYS A 172 6.606 -0.123 -10.553 1.00 0.78 C ATOM 523 CD LYS A 172 5.871 -0.041 -11.878 1.00 0.67 C ATOM 524 CE LYS A 172 4.460 -0.593 -11.755 1.00 0.91 C ATOM 525 NZ LYS A 172 3.721 -0.533 -13.042 1.00 1.40 N ATOM 0 H LYS A 172 9.161 -1.594 -10.471 1.00 0.60 H new ATOM 0 HA LYS A 172 8.413 0.157 -12.622 1.00 0.64 H new ATOM 0 HB2 LYS A 172 8.420 0.496 -9.610 1.00 0.80 H new ATOM 0 HB3 LYS A 172 7.762 1.663 -10.740 1.00 0.80 H new ATOM 0 HG2 LYS A 172 6.768 -1.170 -10.295 1.00 0.78 H new ATOM 0 HG3 LYS A 172 5.983 0.307 -9.768 1.00 0.78 H new ATOM 0 HD2 LYS A 172 5.832 0.996 -12.212 1.00 0.67 H new ATOM 0 HD3 LYS A 172 6.419 -0.600 -12.637 1.00 0.67 H new ATOM 0 HE2 LYS A 172 4.504 -1.626 -11.411 1.00 0.91 H new ATOM 0 HE3 LYS A 172 3.915 -0.028 -10.998 1.00 0.91 H new ATOM 0 HZ1 LYS A 172 2.764 -0.919 -12.911 1.00 1.40 H new ATOM 0 HZ2 LYS A 172 3.655 0.455 -13.359 1.00 1.40 H new ATOM 0 HZ3 LYS A 172 4.226 -1.093 -13.759 1.00 1.40 H new ATOM 539 N PRO A 173 10.368 1.805 -12.692 1.00 0.47 N ATOM 540 CA PRO A 173 11.517 2.709 -12.762 1.00 0.42 C ATOM 541 C PRO A 173 11.547 3.653 -11.569 1.00 0.35 C ATOM 542 O PRO A 173 10.482 4.035 -11.084 1.00 0.35 O ATOM 543 CB PRO A 173 11.292 3.489 -14.060 1.00 0.43 C ATOM 544 CG PRO A 173 10.372 2.639 -14.865 1.00 0.62 C ATOM 545 CD PRO A 173 9.507 1.908 -13.879 1.00 0.53 C ATOM 0 HA PRO A 173 12.467 2.175 -12.745 1.00 0.42 H new ATOM 0 HB2 PRO A 173 10.854 4.467 -13.862 1.00 0.43 H new ATOM 0 HB3 PRO A 173 12.232 3.661 -14.585 1.00 0.43 H new ATOM 0 HG2 PRO A 173 9.767 3.248 -15.537 1.00 0.62 H new ATOM 0 HG3 PRO A 173 10.932 1.939 -15.486 1.00 0.62 H new ATOM 0 HD2 PRO A 173 8.589 2.455 -13.665 1.00 0.53 H new ATOM 0 HD3 PRO A 173 9.214 0.926 -14.250 1.00 0.53 H new ATOM 553 N LYS A 174 12.740 3.993 -11.079 1.00 0.34 N ATOM 554 CA LYS A 174 12.889 4.735 -9.819 1.00 0.36 C ATOM 555 C LYS A 174 11.928 5.924 -9.727 1.00 0.32 C ATOM 556 O LYS A 174 11.389 6.212 -8.655 1.00 0.34 O ATOM 557 CB LYS A 174 14.336 5.196 -9.636 1.00 0.43 C ATOM 558 CG LYS A 174 14.686 5.512 -8.193 1.00 0.59 C ATOM 559 CD LYS A 174 16.187 5.556 -7.976 1.00 0.82 C ATOM 560 CE LYS A 174 16.525 5.551 -6.493 1.00 1.58 C ATOM 561 NZ LYS A 174 17.982 5.396 -6.254 1.00 2.38 N ATOM 0 H LYS A 174 13.623 3.766 -11.536 1.00 0.34 H new ATOM 0 HA LYS A 174 12.630 4.051 -9.011 1.00 0.36 H new ATOM 0 HB2 LYS A 174 15.007 4.420 -10.004 1.00 0.43 H new ATOM 0 HB3 LYS A 174 14.508 6.082 -10.247 1.00 0.43 H new ATOM 0 HG2 LYS A 174 14.250 6.471 -7.915 1.00 0.59 H new ATOM 0 HG3 LYS A 174 14.246 4.760 -7.539 1.00 0.59 H new ATOM 0 HD2 LYS A 174 16.653 4.699 -8.462 1.00 0.82 H new ATOM 0 HD3 LYS A 174 16.599 6.450 -8.443 1.00 0.82 H new ATOM 0 HE2 LYS A 174 16.180 6.480 -6.040 1.00 1.58 H new ATOM 0 HE3 LYS A 174 15.989 4.739 -6.002 1.00 1.58 H new ATOM 0 HZ1 LYS A 174 18.168 5.398 -5.231 1.00 2.38 H new ATOM 0 HZ2 LYS A 174 18.307 4.497 -6.664 1.00 2.38 H new ATOM 0 HZ3 LYS A 174 18.493 6.185 -6.700 1.00 2.38 H new ATOM 575 N GLU A 175 11.702 6.582 -10.856 1.00 0.31 N ATOM 576 CA GLU A 175 10.724 7.662 -10.954 1.00 0.34 C ATOM 577 C GLU A 175 9.370 7.256 -10.354 1.00 0.29 C ATOM 578 O GLU A 175 8.821 7.963 -9.513 1.00 0.33 O ATOM 579 CB GLU A 175 10.559 8.035 -12.433 1.00 0.46 C ATOM 580 CG GLU A 175 9.459 9.046 -12.717 1.00 0.74 C ATOM 581 CD GLU A 175 9.820 10.454 -12.297 1.00 0.83 C ATOM 582 OE1 GLU A 175 9.819 10.736 -11.086 1.00 1.48 O ATOM 583 OE2 GLU A 175 10.056 11.301 -13.185 1.00 1.27 O ATOM 0 H GLU A 175 12.190 6.384 -11.730 1.00 0.31 H new ATOM 0 HA GLU A 175 11.084 8.519 -10.384 1.00 0.34 H new ATOM 0 HB2 GLU A 175 11.504 8.435 -12.800 1.00 0.46 H new ATOM 0 HB3 GLU A 175 10.355 7.128 -13.001 1.00 0.46 H new ATOM 0 HG2 GLU A 175 9.234 9.038 -13.784 1.00 0.74 H new ATOM 0 HG3 GLU A 175 8.551 8.740 -12.198 1.00 0.74 H new ATOM 590 N VAL A 176 8.849 6.107 -10.780 1.00 0.27 N ATOM 591 CA VAL A 176 7.540 5.631 -10.332 1.00 0.26 C ATOM 592 C VAL A 176 7.501 5.401 -8.832 1.00 0.25 C ATOM 593 O VAL A 176 6.614 5.904 -8.150 1.00 0.29 O ATOM 594 CB VAL A 176 7.142 4.316 -11.031 1.00 0.26 C ATOM 595 CG1 VAL A 176 5.938 3.678 -10.340 1.00 0.26 C ATOM 596 CG2 VAL A 176 6.841 4.565 -12.495 1.00 0.32 C ATOM 0 H VAL A 176 9.316 5.484 -11.439 1.00 0.27 H new ATOM 0 HA VAL A 176 6.833 6.417 -10.596 1.00 0.26 H new ATOM 0 HB VAL A 176 7.982 3.625 -10.961 1.00 0.26 H new ATOM 0 HG11 VAL A 176 5.675 2.751 -10.850 1.00 0.26 H new ATOM 0 HG12 VAL A 176 6.187 3.462 -9.301 1.00 0.26 H new ATOM 0 HG13 VAL A 176 5.092 4.365 -10.375 1.00 0.26 H new ATOM 0 HG21 VAL A 176 6.562 3.626 -12.974 1.00 0.32 H new ATOM 0 HG22 VAL A 176 6.019 5.275 -12.582 1.00 0.32 H new ATOM 0 HG23 VAL A 176 7.726 4.973 -12.984 1.00 0.32 H new ATOM 606 N GLN A 177 8.454 4.628 -8.329 1.00 0.23 N ATOM 607 CA GLN A 177 8.477 4.277 -6.917 1.00 0.28 C ATOM 608 C GLN A 177 8.515 5.531 -6.040 1.00 0.32 C ATOM 609 O GLN A 177 7.822 5.601 -5.025 1.00 0.37 O ATOM 610 CB GLN A 177 9.645 3.320 -6.626 1.00 0.30 C ATOM 611 CG GLN A 177 10.786 3.411 -7.627 1.00 0.45 C ATOM 612 CD GLN A 177 11.849 2.345 -7.420 1.00 0.87 C ATOM 613 OE1 GLN A 177 12.817 2.553 -6.695 1.00 1.79 O ATOM 614 NE2 GLN A 177 11.685 1.203 -8.068 1.00 0.96 N ATOM 0 H GLN A 177 9.219 4.233 -8.876 1.00 0.23 H new ATOM 0 HA GLN A 177 7.555 3.752 -6.667 1.00 0.28 H new ATOM 0 HB2 GLN A 177 10.033 3.530 -5.629 1.00 0.30 H new ATOM 0 HB3 GLN A 177 9.268 2.297 -6.613 1.00 0.30 H new ATOM 0 HG2 GLN A 177 10.384 3.323 -8.636 1.00 0.45 H new ATOM 0 HG3 GLN A 177 11.248 4.395 -7.553 1.00 0.45 H new ATOM 0 HE21 GLN A 177 10.867 1.067 -8.662 1.00 0.96 H new ATOM 0 HE22 GLN A 177 12.377 0.459 -7.974 1.00 0.96 H new ATOM 623 N LEU A 178 9.298 6.526 -6.442 1.00 0.35 N ATOM 624 CA LEU A 178 9.308 7.818 -5.759 1.00 0.39 C ATOM 625 C LEU A 178 8.001 8.581 -5.943 1.00 0.39 C ATOM 626 O LEU A 178 7.396 9.016 -4.966 1.00 0.46 O ATOM 627 CB LEU A 178 10.483 8.652 -6.250 1.00 0.44 C ATOM 628 CG LEU A 178 11.847 8.079 -5.882 1.00 0.54 C ATOM 629 CD1 LEU A 178 12.961 8.892 -6.515 1.00 0.58 C ATOM 630 CD2 LEU A 178 11.993 8.041 -4.368 1.00 0.55 C ATOM 0 H LEU A 178 9.934 6.465 -7.237 1.00 0.35 H new ATOM 0 HA LEU A 178 9.416 7.625 -4.692 1.00 0.39 H new ATOM 0 HB2 LEU A 178 10.420 8.746 -7.334 1.00 0.44 H new ATOM 0 HB3 LEU A 178 10.399 9.657 -5.837 1.00 0.44 H new ATOM 0 HG LEU A 178 11.921 7.062 -6.268 1.00 0.54 H new ATOM 0 HD11 LEU A 178 13.925 8.465 -6.239 1.00 0.58 H new ATOM 0 HD12 LEU A 178 12.853 8.874 -7.600 1.00 0.58 H new ATOM 0 HD13 LEU A 178 12.906 9.922 -6.162 1.00 0.58 H new ATOM 0 HD21 LEU A 178 12.969 7.631 -4.107 1.00 0.55 H new ATOM 0 HD22 LEU A 178 11.905 9.051 -3.969 1.00 0.55 H new ATOM 0 HD23 LEU A 178 11.210 7.413 -3.943 1.00 0.55 H new ATOM 642 N LYS A 179 7.564 8.733 -7.187 1.00 0.36 N ATOM 643 CA LYS A 179 6.346 9.485 -7.478 1.00 0.40 C ATOM 644 C LYS A 179 5.146 8.913 -6.736 1.00 0.31 C ATOM 645 O LYS A 179 4.316 9.662 -6.217 1.00 0.29 O ATOM 646 CB LYS A 179 6.082 9.519 -8.986 1.00 0.49 C ATOM 647 CG LYS A 179 6.956 10.523 -9.716 1.00 0.98 C ATOM 648 CD LYS A 179 6.571 11.956 -9.370 1.00 1.00 C ATOM 649 CE LYS A 179 7.602 12.955 -9.873 1.00 1.36 C ATOM 650 NZ LYS A 179 8.000 12.680 -11.275 1.00 1.52 N ATOM 0 H LYS A 179 8.031 8.348 -8.008 1.00 0.36 H new ATOM 0 HA LYS A 179 6.495 10.506 -7.127 1.00 0.40 H new ATOM 0 HB2 LYS A 179 6.253 8.526 -9.402 1.00 0.49 H new ATOM 0 HB3 LYS A 179 5.034 9.762 -9.161 1.00 0.49 H new ATOM 0 HG2 LYS A 179 8.001 10.353 -9.456 1.00 0.98 H new ATOM 0 HG3 LYS A 179 6.866 10.371 -10.792 1.00 0.98 H new ATOM 0 HD2 LYS A 179 5.599 12.186 -9.806 1.00 1.00 H new ATOM 0 HD3 LYS A 179 6.467 12.054 -8.289 1.00 1.00 H new ATOM 0 HE2 LYS A 179 7.195 13.964 -9.802 1.00 1.36 H new ATOM 0 HE3 LYS A 179 8.483 12.921 -9.232 1.00 1.36 H new ATOM 0 HZ1 LYS A 179 8.065 13.576 -11.800 1.00 1.52 H new ATOM 0 HZ2 LYS A 179 8.925 12.205 -11.286 1.00 1.52 H new ATOM 0 HZ3 LYS A 179 7.290 12.067 -11.723 1.00 1.52 H new ATOM 664 N PHE A 180 5.077 7.590 -6.663 1.00 0.29 N ATOM 665 CA PHE A 180 4.003 6.921 -5.955 1.00 0.23 C ATOM 666 C PHE A 180 4.085 7.240 -4.472 1.00 0.22 C ATOM 667 O PHE A 180 3.136 7.761 -3.898 1.00 0.23 O ATOM 668 CB PHE A 180 4.068 5.399 -6.184 1.00 0.19 C ATOM 669 CG PHE A 180 3.135 4.605 -5.302 1.00 0.17 C ATOM 670 CD1 PHE A 180 3.536 4.205 -4.035 1.00 0.15 C ATOM 671 CD2 PHE A 180 1.857 4.264 -5.728 1.00 0.26 C ATOM 672 CE1 PHE A 180 2.688 3.493 -3.213 1.00 0.17 C ATOM 673 CE2 PHE A 180 1.011 3.547 -4.907 1.00 0.29 C ATOM 674 CZ PHE A 180 1.425 3.164 -3.649 1.00 0.23 C ATOM 0 H PHE A 180 5.757 6.960 -7.089 1.00 0.29 H new ATOM 0 HA PHE A 180 3.050 7.282 -6.341 1.00 0.23 H new ATOM 0 HB2 PHE A 180 3.832 5.189 -7.227 1.00 0.19 H new ATOM 0 HB3 PHE A 180 5.090 5.060 -6.013 1.00 0.19 H new ATOM 0 HD1 PHE A 180 4.527 4.455 -3.687 1.00 0.15 H new ATOM 0 HD2 PHE A 180 1.523 4.563 -6.711 1.00 0.26 H new ATOM 0 HE1 PHE A 180 3.015 3.194 -2.228 1.00 0.17 H new ATOM 0 HE2 PHE A 180 0.021 3.285 -5.251 1.00 0.29 H new ATOM 0 HZ PHE A 180 0.759 2.607 -3.007 1.00 0.23 H new ATOM 684 N LEU A 181 5.239 6.964 -3.878 1.00 0.25 N ATOM 685 CA LEU A 181 5.419 7.105 -2.438 1.00 0.27 C ATOM 686 C LEU A 181 5.269 8.550 -1.982 1.00 0.29 C ATOM 687 O LEU A 181 4.808 8.804 -0.870 1.00 0.29 O ATOM 688 CB LEU A 181 6.785 6.567 -2.009 1.00 0.31 C ATOM 689 CG LEU A 181 6.988 5.061 -2.179 1.00 0.31 C ATOM 690 CD1 LEU A 181 8.396 4.670 -1.763 1.00 0.37 C ATOM 691 CD2 LEU A 181 5.957 4.287 -1.372 1.00 0.29 C ATOM 0 H LEU A 181 6.069 6.639 -4.374 1.00 0.25 H new ATOM 0 HA LEU A 181 4.633 6.519 -1.961 1.00 0.27 H new ATOM 0 HB2 LEU A 181 7.555 7.086 -2.580 1.00 0.31 H new ATOM 0 HB3 LEU A 181 6.942 6.820 -0.960 1.00 0.31 H new ATOM 0 HG LEU A 181 6.855 4.810 -3.231 1.00 0.31 H new ATOM 0 HD11 LEU A 181 8.527 3.595 -1.889 1.00 0.37 H new ATOM 0 HD12 LEU A 181 9.119 5.199 -2.384 1.00 0.37 H new ATOM 0 HD13 LEU A 181 8.553 4.935 -0.717 1.00 0.37 H new ATOM 0 HD21 LEU A 181 6.118 3.217 -1.506 1.00 0.29 H new ATOM 0 HD22 LEU A 181 6.057 4.539 -0.316 1.00 0.29 H new ATOM 0 HD23 LEU A 181 4.956 4.549 -1.714 1.00 0.29 H new ATOM 703 N GLN A 182 5.643 9.498 -2.832 1.00 0.31 N ATOM 704 CA GLN A 182 5.588 10.906 -2.471 1.00 0.35 C ATOM 705 C GLN A 182 4.146 11.374 -2.375 1.00 0.29 C ATOM 706 O GLN A 182 3.717 11.893 -1.342 1.00 0.31 O ATOM 707 CB GLN A 182 6.346 11.736 -3.506 1.00 0.48 C ATOM 708 CG GLN A 182 6.457 13.217 -3.168 1.00 0.78 C ATOM 709 CD GLN A 182 7.029 13.484 -1.788 1.00 1.22 C ATOM 710 OE1 GLN A 182 8.338 13.641 -1.711 1.00 1.83 O flip ATOM 711 NE2 GLN A 182 6.296 13.563 -0.803 1.00 1.51 N flip ATOM 0 H GLN A 182 5.987 9.316 -3.775 1.00 0.31 H new ATOM 0 HA GLN A 182 6.058 11.038 -1.496 1.00 0.35 H new ATOM 0 HB2 GLN A 182 7.349 11.326 -3.618 1.00 0.48 H new ATOM 0 HB3 GLN A 182 5.849 11.632 -4.471 1.00 0.48 H new ATOM 0 HG2 GLN A 182 7.085 13.705 -3.913 1.00 0.78 H new ATOM 0 HG3 GLN A 182 5.469 13.672 -3.237 1.00 0.78 H new ATOM 0 HE21 GLN A 182 5.289 13.435 -0.905 1.00 1.51 H new ATOM 0 HE22 GLN A 182 6.695 13.756 0.116 1.00 1.51 H new ATOM 720 N LYS A 183 3.395 11.184 -3.450 1.00 0.30 N ATOM 721 CA LYS A 183 1.986 11.575 -3.452 1.00 0.36 C ATOM 722 C LYS A 183 1.188 10.701 -2.484 1.00 0.25 C ATOM 723 O LYS A 183 0.233 11.165 -1.859 1.00 0.27 O ATOM 724 CB LYS A 183 1.387 11.539 -4.868 1.00 0.57 C ATOM 725 CG LYS A 183 1.395 10.176 -5.544 1.00 0.92 C ATOM 726 CD LYS A 183 0.980 10.296 -7.002 1.00 1.07 C ATOM 727 CE LYS A 183 -0.464 10.749 -7.137 1.00 0.72 C ATOM 728 NZ LYS A 183 -0.745 11.317 -8.480 1.00 1.46 N ATOM 0 H LYS A 183 3.727 10.769 -4.321 1.00 0.30 H new ATOM 0 HA LYS A 183 1.924 12.608 -3.109 1.00 0.36 H new ATOM 0 HB2 LYS A 183 0.358 11.895 -4.818 1.00 0.57 H new ATOM 0 HB3 LYS A 183 1.937 12.240 -5.495 1.00 0.57 H new ATOM 0 HG2 LYS A 183 2.391 9.738 -5.479 1.00 0.92 H new ATOM 0 HG3 LYS A 183 0.716 9.502 -5.022 1.00 0.92 H new ATOM 0 HD2 LYS A 183 1.633 11.005 -7.510 1.00 1.07 H new ATOM 0 HD3 LYS A 183 1.108 9.334 -7.498 1.00 1.07 H new ATOM 0 HE2 LYS A 183 -1.128 9.904 -6.955 1.00 0.72 H new ATOM 0 HE3 LYS A 183 -0.682 11.496 -6.374 1.00 0.72 H new ATOM 0 HZ1 LYS A 183 -1.745 11.161 -8.721 1.00 1.46 H new ATOM 0 HZ2 LYS A 183 -0.545 12.338 -8.474 1.00 1.46 H new ATOM 0 HZ3 LYS A 183 -0.142 10.850 -9.187 1.00 1.46 H new ATOM 742 N PHE A 184 1.589 9.437 -2.371 1.00 0.21 N ATOM 743 CA PHE A 184 1.021 8.534 -1.373 1.00 0.21 C ATOM 744 C PHE A 184 1.196 9.109 0.032 1.00 0.22 C ATOM 745 O PHE A 184 0.248 9.136 0.813 1.00 0.25 O ATOM 746 CB PHE A 184 1.663 7.145 -1.465 1.00 0.22 C ATOM 747 CG PHE A 184 0.932 6.086 -0.690 1.00 0.22 C ATOM 748 CD1 PHE A 184 -0.284 5.590 -1.135 1.00 0.21 C ATOM 749 CD2 PHE A 184 1.460 5.595 0.493 1.00 0.29 C ATOM 750 CE1 PHE A 184 -0.954 4.617 -0.417 1.00 0.22 C ATOM 751 CE2 PHE A 184 0.796 4.626 1.212 1.00 0.32 C ATOM 752 CZ PHE A 184 -0.428 4.123 0.727 1.00 0.26 C ATOM 0 H PHE A 184 2.307 9.014 -2.960 1.00 0.21 H new ATOM 0 HA PHE A 184 -0.045 8.432 -1.577 1.00 0.21 H new ATOM 0 HB2 PHE A 184 1.712 6.847 -2.512 1.00 0.22 H new ATOM 0 HB3 PHE A 184 2.689 7.205 -1.102 1.00 0.22 H new ATOM 0 HD1 PHE A 184 -0.712 5.968 -2.052 1.00 0.21 H new ATOM 0 HD2 PHE A 184 2.403 5.976 0.856 1.00 0.29 H new ATOM 0 HE1 PHE A 184 -1.905 4.248 -0.772 1.00 0.22 H new ATOM 0 HE2 PHE A 184 1.209 4.255 2.138 1.00 0.32 H new ATOM 0 HZ PHE A 184 -0.945 3.344 1.268 1.00 0.26 H new ATOM 762 N GLN A 185 2.409 9.572 0.348 1.00 0.24 N ATOM 763 CA GLN A 185 2.672 10.191 1.645 1.00 0.30 C ATOM 764 C GLN A 185 1.742 11.372 1.888 1.00 0.32 C ATOM 765 O GLN A 185 1.219 11.538 2.988 1.00 0.39 O ATOM 766 CB GLN A 185 4.125 10.658 1.765 1.00 0.35 C ATOM 767 CG GLN A 185 4.384 11.455 3.039 1.00 0.64 C ATOM 768 CD GLN A 185 5.782 12.035 3.133 1.00 0.53 C ATOM 769 OE1 GLN A 185 6.765 11.326 2.615 1.00 1.22 O flip ATOM 770 NE2 GLN A 185 5.976 13.113 3.689 1.00 0.82 N flip ATOM 0 H GLN A 185 3.217 9.529 -0.273 1.00 0.24 H new ATOM 0 HA GLN A 185 2.488 9.427 2.400 1.00 0.30 H new ATOM 0 HB2 GLN A 185 4.784 9.790 1.744 1.00 0.35 H new ATOM 0 HB3 GLN A 185 4.378 11.271 0.900 1.00 0.35 H new ATOM 0 HG2 GLN A 185 3.660 12.268 3.100 1.00 0.64 H new ATOM 0 HG3 GLN A 185 4.211 10.809 3.900 1.00 0.64 H new ATOM 0 HE21 GLN A 185 5.191 13.635 4.079 1.00 0.82 H new ATOM 0 HE22 GLN A 185 6.922 13.487 3.761 1.00 0.82 H new ATOM 779 N GLU A 186 1.538 12.194 0.868 1.00 0.29 N ATOM 780 CA GLU A 186 0.634 13.322 0.981 1.00 0.33 C ATOM 781 C GLU A 186 -0.757 12.835 1.384 1.00 0.31 C ATOM 782 O GLU A 186 -1.330 13.311 2.365 1.00 0.35 O ATOM 783 CB GLU A 186 0.590 14.094 -0.339 1.00 0.37 C ATOM 784 CG GLU A 186 -0.347 15.284 -0.311 1.00 1.12 C ATOM 785 CD GLU A 186 -0.090 16.259 -1.438 1.00 1.57 C ATOM 786 OE1 GLU A 186 -0.321 15.901 -2.610 1.00 1.79 O ATOM 787 OE2 GLU A 186 0.357 17.389 -1.153 1.00 2.39 O ATOM 0 H GLU A 186 1.986 12.099 -0.043 1.00 0.29 H new ATOM 0 HA GLU A 186 0.995 13.999 1.755 1.00 0.33 H new ATOM 0 HB2 GLU A 186 1.595 14.438 -0.583 1.00 0.37 H new ATOM 0 HB3 GLU A 186 0.282 13.418 -1.136 1.00 0.37 H new ATOM 0 HG2 GLU A 186 -1.377 14.931 -0.370 1.00 1.12 H new ATOM 0 HG3 GLU A 186 -0.241 15.802 0.642 1.00 1.12 H new ATOM 794 N TRP A 187 -1.282 11.881 0.622 1.00 0.26 N ATOM 795 CA TRP A 187 -2.535 11.211 0.966 1.00 0.26 C ATOM 796 C TRP A 187 -2.533 10.672 2.404 1.00 0.26 C ATOM 797 O TRP A 187 -3.502 10.879 3.140 1.00 0.28 O ATOM 798 CB TRP A 187 -2.812 10.074 -0.022 1.00 0.24 C ATOM 799 CG TRP A 187 -4.017 9.255 0.327 1.00 0.23 C ATOM 800 CD1 TRP A 187 -5.327 9.639 0.264 1.00 0.30 C ATOM 801 CD2 TRP A 187 -4.017 7.902 0.794 1.00 0.20 C ATOM 802 NE1 TRP A 187 -6.138 8.600 0.646 1.00 0.28 N ATOM 803 CE2 TRP A 187 -5.359 7.523 0.983 1.00 0.21 C ATOM 804 CE3 TRP A 187 -3.010 6.970 1.066 1.00 0.23 C ATOM 805 CZ2 TRP A 187 -5.716 6.255 1.434 1.00 0.21 C ATOM 806 CZ3 TRP A 187 -3.369 5.715 1.514 1.00 0.26 C ATOM 807 CH2 TRP A 187 -4.710 5.367 1.691 1.00 0.23 C ATOM 0 H TRP A 187 -0.857 11.551 -0.245 1.00 0.26 H new ATOM 0 HA TRP A 187 -3.329 11.955 0.900 1.00 0.26 H new ATOM 0 HB2 TRP A 187 -2.945 10.495 -1.019 1.00 0.24 H new ATOM 0 HB3 TRP A 187 -1.940 9.421 -0.066 1.00 0.24 H new ATOM 0 HD1 TRP A 187 -5.673 10.616 -0.041 1.00 0.30 H new ATOM 0 HE1 TRP A 187 -7.157 8.625 0.675 1.00 0.28 H new ATOM 0 HE3 TRP A 187 -1.970 7.228 0.928 1.00 0.23 H new ATOM 0 HZ2 TRP A 187 -6.752 5.983 1.576 1.00 0.21 H new ATOM 0 HZ3 TRP A 187 -2.599 4.989 1.732 1.00 0.26 H new ATOM 0 HH2 TRP A 187 -4.957 4.375 2.038 1.00 0.23 H new ATOM 818 N THR A 188 -1.465 9.981 2.811 1.00 0.25 N ATOM 819 CA THR A 188 -1.404 9.399 4.150 1.00 0.27 C ATOM 820 C THR A 188 -1.361 10.481 5.224 1.00 0.29 C ATOM 821 O THR A 188 -1.891 10.300 6.315 1.00 0.32 O ATOM 822 CB THR A 188 -0.192 8.449 4.328 1.00 0.29 C ATOM 823 OG1 THR A 188 1.048 9.157 4.166 1.00 1.21 O ATOM 824 CG2 THR A 188 -0.246 7.299 3.332 1.00 1.00 C ATOM 0 H THR A 188 -0.639 9.813 2.237 1.00 0.25 H new ATOM 0 HA THR A 188 -2.315 8.812 4.265 1.00 0.27 H new ATOM 0 HB THR A 188 -0.244 8.047 5.340 1.00 0.29 H new ATOM 0 HG1 THR A 188 0.872 10.041 3.781 1.00 1.21 H new ATOM 0 HG21 THR A 188 0.616 6.649 3.480 1.00 1.00 H new ATOM 0 HG22 THR A 188 -1.162 6.728 3.485 1.00 1.00 H new ATOM 0 HG23 THR A 188 -0.231 7.696 2.317 1.00 1.00 H new ATOM 832 N ARG A 189 -0.729 11.604 4.913 1.00 0.28 N ATOM 833 CA ARG A 189 -0.699 12.735 5.828 1.00 0.34 C ATOM 834 C ARG A 189 -2.070 13.403 5.901 1.00 0.36 C ATOM 835 O ARG A 189 -2.482 13.886 6.954 1.00 0.42 O ATOM 836 CB ARG A 189 0.364 13.751 5.401 1.00 0.38 C ATOM 837 CG ARG A 189 1.781 13.203 5.449 1.00 0.46 C ATOM 838 CD ARG A 189 2.813 14.280 5.166 1.00 0.63 C ATOM 839 NE ARG A 189 2.770 14.753 3.781 1.00 1.26 N ATOM 840 CZ ARG A 189 3.437 15.827 3.348 1.00 1.93 C ATOM 841 NH1 ARG A 189 4.136 16.565 4.199 1.00 2.16 N ATOM 842 NH2 ARG A 189 3.408 16.167 2.065 1.00 2.62 N ATOM 0 H ARG A 189 -0.231 11.756 4.036 1.00 0.28 H new ATOM 0 HA ARG A 189 -0.440 12.362 6.819 1.00 0.34 H new ATOM 0 HB2 ARG A 189 0.147 14.087 4.387 1.00 0.38 H new ATOM 0 HB3 ARG A 189 0.299 14.626 6.048 1.00 0.38 H new ATOM 0 HG2 ARG A 189 1.969 12.768 6.431 1.00 0.46 H new ATOM 0 HG3 ARG A 189 1.885 12.400 4.720 1.00 0.46 H new ATOM 0 HD2 ARG A 189 2.648 15.122 5.838 1.00 0.63 H new ATOM 0 HD3 ARG A 189 3.808 13.890 5.382 1.00 0.63 H new ATOM 0 HE ARG A 189 2.201 14.235 3.111 1.00 1.26 H new ATOM 0 HH11 ARG A 189 4.166 16.314 5.187 1.00 2.16 H new ATOM 0 HH12 ARG A 189 4.644 17.384 3.866 1.00 2.16 H new ATOM 0 HH21 ARG A 189 2.874 15.607 1.401 1.00 2.62 H new ATOM 0 HH22 ARG A 189 3.920 16.988 1.743 1.00 2.62 H new ATOM 856 N ALA A 190 -2.766 13.441 4.770 1.00 0.34 N ATOM 857 CA ALA A 190 -4.122 13.972 4.724 1.00 0.41 C ATOM 858 C ALA A 190 -5.093 13.098 5.513 1.00 0.34 C ATOM 859 O ALA A 190 -6.042 13.599 6.117 1.00 0.40 O ATOM 860 CB ALA A 190 -4.589 14.103 3.282 1.00 0.54 C ATOM 0 H ALA A 190 -2.412 13.110 3.872 1.00 0.34 H new ATOM 0 HA ALA A 190 -4.108 14.959 5.187 1.00 0.41 H new ATOM 0 HB1 ALA A 190 -5.604 14.501 3.263 1.00 0.54 H new ATOM 0 HB2 ALA A 190 -3.924 14.779 2.744 1.00 0.54 H new ATOM 0 HB3 ALA A 190 -4.574 13.123 2.804 1.00 0.54 H new ATOM 866 N HIS A 191 -4.860 11.792 5.496 1.00 0.36 N ATOM 867 CA HIS A 191 -5.726 10.851 6.199 1.00 0.35 C ATOM 868 C HIS A 191 -4.902 9.832 6.984 1.00 0.28 C ATOM 869 O HIS A 191 -4.877 8.663 6.612 1.00 0.33 O ATOM 870 CB HIS A 191 -6.609 10.071 5.214 1.00 0.58 C ATOM 871 CG HIS A 191 -7.498 10.887 4.324 1.00 0.49 C ATOM 872 ND1 HIS A 191 -8.297 11.914 4.767 1.00 0.53 N ATOM 873 CD2 HIS A 191 -7.735 10.779 2.997 1.00 0.91 C ATOM 874 CE1 HIS A 191 -8.986 12.397 3.749 1.00 0.81 C ATOM 875 NE2 HIS A 191 -8.671 11.723 2.660 1.00 1.04 N ATOM 0 H HIS A 191 -4.079 11.359 5.003 1.00 0.36 H new ATOM 0 HA HIS A 191 -6.345 11.440 6.876 1.00 0.35 H new ATOM 0 HB2 HIS A 191 -5.961 9.462 4.584 1.00 0.58 H new ATOM 0 HB3 HIS A 191 -7.235 9.385 5.785 1.00 0.58 H new ATOM 0 HD2 HIS A 191 -7.270 10.075 2.323 1.00 0.91 H new ATOM 0 HE1 HIS A 191 -9.693 13.212 3.800 1.00 0.81 H new ATOM 0 HE2 HIS A 191 -9.057 11.877 1.728 1.00 1.04 H new ATOM 884 N PRO A 192 -4.219 10.233 8.073 1.00 0.23 N ATOM 885 CA PRO A 192 -3.396 9.304 8.865 1.00 0.25 C ATOM 886 C PRO A 192 -4.208 8.146 9.432 1.00 0.27 C ATOM 887 O PRO A 192 -3.678 7.065 9.682 1.00 0.40 O ATOM 888 CB PRO A 192 -2.853 10.180 9.998 1.00 0.29 C ATOM 889 CG PRO A 192 -2.918 11.565 9.462 1.00 0.45 C ATOM 890 CD PRO A 192 -4.158 11.602 8.618 1.00 0.24 C ATOM 0 HA PRO A 192 -2.619 8.837 8.260 1.00 0.25 H new ATOM 0 HB2 PRO A 192 -3.453 10.076 10.902 1.00 0.29 H new ATOM 0 HB3 PRO A 192 -1.832 9.903 10.259 1.00 0.29 H new ATOM 0 HG2 PRO A 192 -2.968 12.297 10.268 1.00 0.45 H new ATOM 0 HG3 PRO A 192 -2.033 11.801 8.872 1.00 0.45 H new ATOM 0 HD2 PRO A 192 -5.042 11.843 9.208 1.00 0.24 H new ATOM 0 HD3 PRO A 192 -4.088 12.350 7.828 1.00 0.24 H new ATOM 898 N GLU A 193 -5.501 8.378 9.623 1.00 0.26 N ATOM 899 CA GLU A 193 -6.394 7.350 10.131 1.00 0.32 C ATOM 900 C GLU A 193 -6.835 6.442 8.987 1.00 0.28 C ATOM 901 O GLU A 193 -6.623 5.233 9.025 1.00 0.30 O ATOM 902 CB GLU A 193 -7.616 8.000 10.790 1.00 0.46 C ATOM 903 CG GLU A 193 -8.210 7.206 11.948 1.00 0.66 C ATOM 904 CD GLU A 193 -8.765 5.851 11.544 1.00 1.26 C ATOM 905 OE1 GLU A 193 -9.751 5.818 10.778 1.00 1.56 O ATOM 906 OE2 GLU A 193 -8.206 4.819 11.973 1.00 2.02 O ATOM 0 H GLU A 193 -5.953 9.272 9.432 1.00 0.26 H new ATOM 0 HA GLU A 193 -5.869 6.753 10.876 1.00 0.32 H new ATOM 0 HB2 GLU A 193 -7.334 8.989 11.151 1.00 0.46 H new ATOM 0 HB3 GLU A 193 -8.387 8.145 10.033 1.00 0.46 H new ATOM 0 HG2 GLU A 193 -7.442 7.061 12.708 1.00 0.66 H new ATOM 0 HG3 GLU A 193 -9.006 7.792 12.407 1.00 0.66 H new ATOM 913 N ASP A 194 -7.424 7.050 7.961 1.00 0.29 N ATOM 914 CA ASP A 194 -7.945 6.318 6.806 1.00 0.30 C ATOM 915 C ASP A 194 -6.849 5.512 6.125 1.00 0.23 C ATOM 916 O ASP A 194 -7.004 4.317 5.889 1.00 0.25 O ATOM 917 CB ASP A 194 -8.544 7.285 5.785 1.00 0.36 C ATOM 918 CG ASP A 194 -9.537 8.258 6.394 1.00 0.52 C ATOM 919 OD1 ASP A 194 -9.108 9.163 7.139 1.00 0.70 O ATOM 920 OD2 ASP A 194 -10.755 8.107 6.148 1.00 0.75 O ATOM 0 H ASP A 194 -7.554 8.060 7.905 1.00 0.29 H new ATOM 0 HA ASP A 194 -8.715 5.640 7.173 1.00 0.30 H new ATOM 0 HB2 ASP A 194 -7.739 7.847 5.310 1.00 0.36 H new ATOM 0 HB3 ASP A 194 -9.040 6.714 5.000 1.00 0.36 H new ATOM 925 N ALA A 195 -5.752 6.185 5.784 1.00 0.20 N ATOM 926 CA ALA A 195 -4.614 5.544 5.132 1.00 0.19 C ATOM 927 C ALA A 195 -4.105 4.345 5.915 1.00 0.16 C ATOM 928 O ALA A 195 -3.944 3.258 5.358 1.00 0.18 O ATOM 929 CB ALA A 195 -3.493 6.544 4.928 1.00 0.25 C ATOM 0 H ALA A 195 -5.628 7.184 5.951 1.00 0.20 H new ATOM 0 HA ALA A 195 -4.959 5.181 4.164 1.00 0.19 H new ATOM 0 HB1 ALA A 195 -2.651 6.052 4.441 1.00 0.25 H new ATOM 0 HB2 ALA A 195 -3.846 7.364 4.302 1.00 0.25 H new ATOM 0 HB3 ALA A 195 -3.175 6.936 5.894 1.00 0.25 H new ATOM 935 N ALA A 196 -3.850 4.542 7.207 1.00 0.17 N ATOM 936 CA ALA A 196 -3.379 3.454 8.048 1.00 0.20 C ATOM 937 C ALA A 196 -4.430 2.367 8.125 1.00 0.23 C ATOM 938 O ALA A 196 -4.106 1.187 8.129 1.00 0.27 O ATOM 939 CB ALA A 196 -3.021 3.951 9.440 1.00 0.21 C ATOM 0 H ALA A 196 -3.961 5.436 7.686 1.00 0.17 H new ATOM 0 HA ALA A 196 -2.475 3.041 7.600 1.00 0.20 H new ATOM 0 HB1 ALA A 196 -2.672 3.115 10.046 1.00 0.21 H new ATOM 0 HB2 ALA A 196 -2.233 4.700 9.367 1.00 0.21 H new ATOM 0 HB3 ALA A 196 -3.901 4.394 9.906 1.00 0.21 H new ATOM 945 N SER A 197 -5.690 2.773 8.173 1.00 0.22 N ATOM 946 CA SER A 197 -6.787 1.828 8.189 1.00 0.30 C ATOM 947 C SER A 197 -6.800 0.981 6.911 1.00 0.25 C ATOM 948 O SER A 197 -7.024 -0.233 6.978 1.00 0.24 O ATOM 949 CB SER A 197 -8.120 2.557 8.373 1.00 0.41 C ATOM 950 OG SER A 197 -9.136 1.671 8.812 1.00 0.96 O ATOM 0 H SER A 197 -5.974 3.752 8.201 1.00 0.22 H new ATOM 0 HA SER A 197 -6.645 1.155 9.035 1.00 0.30 H new ATOM 0 HB2 SER A 197 -7.999 3.363 9.097 1.00 0.41 H new ATOM 0 HB3 SER A 197 -8.418 3.017 7.431 1.00 0.41 H new ATOM 0 HG SER A 197 -9.975 2.165 8.922 1.00 0.96 H new ATOM 956 N LEU A 198 -6.537 1.582 5.741 1.00 0.24 N ATOM 957 CA LEU A 198 -6.466 0.823 4.499 1.00 0.22 C ATOM 958 C LEU A 198 -5.297 -0.153 4.519 1.00 0.19 C ATOM 959 O LEU A 198 -5.447 -1.323 4.165 1.00 0.20 O ATOM 960 CB LEU A 198 -6.310 1.790 3.320 1.00 0.21 C ATOM 961 CG LEU A 198 -6.080 1.137 1.951 1.00 0.22 C ATOM 962 CD1 LEU A 198 -7.246 0.249 1.568 1.00 0.26 C ATOM 963 CD2 LEU A 198 -5.856 2.194 0.884 1.00 0.24 C ATOM 0 H LEU A 198 -6.372 2.583 5.636 1.00 0.24 H new ATOM 0 HA LEU A 198 -7.387 0.250 4.391 1.00 0.22 H new ATOM 0 HB2 LEU A 198 -7.205 2.409 3.261 1.00 0.21 H new ATOM 0 HB3 LEU A 198 -5.474 2.457 3.529 1.00 0.21 H new ATOM 0 HG LEU A 198 -5.186 0.517 2.024 1.00 0.22 H new ATOM 0 HD11 LEU A 198 -7.056 -0.201 0.593 1.00 0.26 H new ATOM 0 HD12 LEU A 198 -7.365 -0.537 2.314 1.00 0.26 H new ATOM 0 HD13 LEU A 198 -8.157 0.845 1.521 1.00 0.26 H new ATOM 0 HD21 LEU A 198 -5.695 1.710 -0.079 1.00 0.24 H new ATOM 0 HD22 LEU A 198 -6.731 2.841 0.823 1.00 0.24 H new ATOM 0 HD23 LEU A 198 -4.981 2.791 1.141 1.00 0.24 H new ATOM 975 N LEU A 199 -4.136 0.335 4.941 1.00 0.18 N ATOM 976 CA LEU A 199 -2.934 -0.486 5.020 1.00 0.21 C ATOM 977 C LEU A 199 -3.118 -1.597 6.047 1.00 0.27 C ATOM 978 O LEU A 199 -2.482 -2.649 5.974 1.00 0.37 O ATOM 979 CB LEU A 199 -1.731 0.378 5.404 1.00 0.21 C ATOM 980 CG LEU A 199 -1.320 1.432 4.382 1.00 0.23 C ATOM 981 CD1 LEU A 199 -0.202 2.295 4.937 1.00 0.27 C ATOM 982 CD2 LEU A 199 -0.877 0.772 3.096 1.00 0.31 C ATOM 0 H LEU A 199 -4.002 1.302 5.236 1.00 0.18 H new ATOM 0 HA LEU A 199 -2.755 -0.934 4.042 1.00 0.21 H new ATOM 0 HB2 LEU A 199 -1.953 0.879 6.346 1.00 0.21 H new ATOM 0 HB3 LEU A 199 -0.879 -0.278 5.585 1.00 0.21 H new ATOM 0 HG LEU A 199 -2.182 2.066 4.172 1.00 0.23 H new ATOM 0 HD11 LEU A 199 0.082 3.043 4.197 1.00 0.27 H new ATOM 0 HD12 LEU A 199 -0.543 2.793 5.844 1.00 0.27 H new ATOM 0 HD13 LEU A 199 0.660 1.669 5.169 1.00 0.27 H new ATOM 0 HD21 LEU A 199 -0.587 1.537 2.376 1.00 0.31 H new ATOM 0 HD22 LEU A 199 -0.027 0.120 3.296 1.00 0.31 H new ATOM 0 HD23 LEU A 199 -1.698 0.183 2.688 1.00 0.31 H new ATOM 994 N GLU A 200 -3.989 -1.335 7.010 1.00 0.27 N ATOM 995 CA GLU A 200 -4.281 -2.272 8.078 1.00 0.37 C ATOM 996 C GLU A 200 -5.053 -3.463 7.525 1.00 0.30 C ATOM 997 O GLU A 200 -4.858 -4.601 7.951 1.00 0.37 O ATOM 998 CB GLU A 200 -5.106 -1.564 9.157 1.00 0.54 C ATOM 999 CG GLU A 200 -4.909 -2.092 10.570 1.00 0.91 C ATOM 1000 CD GLU A 200 -5.803 -1.381 11.571 1.00 1.49 C ATOM 1001 OE1 GLU A 200 -5.390 -0.325 12.101 1.00 2.03 O ATOM 1002 OE2 GLU A 200 -6.916 -1.882 11.842 1.00 1.90 O ATOM 0 H GLU A 200 -4.514 -0.462 7.071 1.00 0.27 H new ATOM 0 HA GLU A 200 -3.349 -2.632 8.514 1.00 0.37 H new ATOM 0 HB2 GLU A 200 -4.858 -0.503 9.144 1.00 0.54 H new ATOM 0 HB3 GLU A 200 -6.162 -1.647 8.898 1.00 0.54 H new ATOM 0 HG2 GLU A 200 -5.120 -3.161 10.591 1.00 0.91 H new ATOM 0 HG3 GLU A 200 -3.866 -1.967 10.862 1.00 0.91 H new ATOM 1009 N LEU A 201 -5.922 -3.188 6.558 1.00 0.26 N ATOM 1010 CA LEU A 201 -6.771 -4.221 5.987 1.00 0.25 C ATOM 1011 C LEU A 201 -6.155 -4.833 4.725 1.00 0.23 C ATOM 1012 O LEU A 201 -6.165 -6.055 4.555 1.00 0.33 O ATOM 1013 CB LEU A 201 -8.159 -3.650 5.687 1.00 0.32 C ATOM 1014 CG LEU A 201 -9.204 -4.660 5.203 1.00 0.36 C ATOM 1015 CD1 LEU A 201 -9.356 -5.795 6.203 1.00 0.40 C ATOM 1016 CD2 LEU A 201 -10.541 -3.975 4.995 1.00 0.48 C ATOM 0 H LEU A 201 -6.055 -2.260 6.156 1.00 0.26 H new ATOM 0 HA LEU A 201 -6.864 -5.022 6.721 1.00 0.25 H new ATOM 0 HB2 LEU A 201 -8.536 -3.169 6.590 1.00 0.32 H new ATOM 0 HB3 LEU A 201 -8.056 -2.872 4.931 1.00 0.32 H new ATOM 0 HG LEU A 201 -8.864 -5.074 4.254 1.00 0.36 H new ATOM 0 HD11 LEU A 201 -10.103 -6.502 5.841 1.00 0.40 H new ATOM 0 HD12 LEU A 201 -8.400 -6.306 6.322 1.00 0.40 H new ATOM 0 HD13 LEU A 201 -9.674 -5.392 7.165 1.00 0.40 H new ATOM 0 HD21 LEU A 201 -11.274 -4.705 4.651 1.00 0.48 H new ATOM 0 HD22 LEU A 201 -10.877 -3.539 5.936 1.00 0.48 H new ATOM 0 HD23 LEU A 201 -10.434 -3.188 4.248 1.00 0.48 H new ATOM 1028 N CYS A 202 -5.622 -3.999 3.838 1.00 0.19 N ATOM 1029 CA CYS A 202 -5.059 -4.471 2.575 1.00 0.20 C ATOM 1030 C CYS A 202 -3.530 -4.488 2.626 1.00 0.24 C ATOM 1031 O CYS A 202 -2.886 -3.447 2.506 1.00 0.26 O ATOM 1032 CB CYS A 202 -5.529 -3.577 1.428 1.00 0.22 C ATOM 1033 SG CYS A 202 -7.324 -3.502 1.227 1.00 0.27 S ATOM 0 H CYS A 202 -5.567 -2.989 3.970 1.00 0.19 H new ATOM 0 HA CYS A 202 -5.407 -5.490 2.408 1.00 0.20 H new ATOM 0 HB2 CYS A 202 -5.151 -2.568 1.592 1.00 0.22 H new ATOM 0 HB3 CYS A 202 -5.086 -3.936 0.499 1.00 0.22 H new ATOM 0 HG CYS A 202 -7.610 -3.091 0.027 1.00 0.27 H new ATOM 1039 N PRO A 203 -2.935 -5.683 2.785 1.00 0.30 N ATOM 1040 CA PRO A 203 -1.483 -5.846 2.933 1.00 0.36 C ATOM 1041 C PRO A 203 -0.690 -5.615 1.645 1.00 0.28 C ATOM 1042 O PRO A 203 0.539 -5.534 1.689 1.00 0.28 O ATOM 1043 CB PRO A 203 -1.318 -7.307 3.387 1.00 0.49 C ATOM 1044 CG PRO A 203 -2.689 -7.786 3.719 1.00 0.74 C ATOM 1045 CD PRO A 203 -3.627 -6.974 2.878 1.00 0.38 C ATOM 0 HA PRO A 203 -1.092 -5.105 3.631 1.00 0.36 H new ATOM 0 HB2 PRO A 203 -0.872 -7.913 2.599 1.00 0.49 H new ATOM 0 HB3 PRO A 203 -0.659 -7.375 4.253 1.00 0.49 H new ATOM 0 HG2 PRO A 203 -2.793 -8.849 3.503 1.00 0.74 H new ATOM 0 HG3 PRO A 203 -2.902 -7.653 4.780 1.00 0.74 H new ATOM 0 HD2 PRO A 203 -3.783 -7.422 1.897 1.00 0.38 H new ATOM 0 HD3 PRO A 203 -4.608 -6.876 3.343 1.00 0.38 H new ATOM 1053 N GLN A 204 -1.370 -5.509 0.499 1.00 0.25 N ATOM 1054 CA GLN A 204 -0.656 -5.304 -0.762 1.00 0.26 C ATOM 1055 C GLN A 204 0.062 -3.969 -0.726 1.00 0.19 C ATOM 1056 O GLN A 204 1.206 -3.857 -1.143 1.00 0.25 O ATOM 1057 CB GLN A 204 -1.580 -5.401 -2.000 1.00 0.39 C ATOM 1058 CG GLN A 204 -2.131 -4.071 -2.517 1.00 0.36 C ATOM 1059 CD GLN A 204 -3.426 -3.684 -1.837 1.00 1.08 C ATOM 1060 OE1 GLN A 204 -3.426 -3.029 -0.800 1.00 1.65 O ATOM 1061 NE2 GLN A 204 -4.541 -4.091 -2.422 1.00 1.12 N ATOM 0 H GLN A 204 -2.386 -5.560 0.419 1.00 0.25 H new ATOM 0 HA GLN A 204 0.071 -6.110 -0.864 1.00 0.26 H new ATOM 0 HB2 GLN A 204 -1.028 -5.884 -2.807 1.00 0.39 H new ATOM 0 HB3 GLN A 204 -2.420 -6.051 -1.755 1.00 0.39 H new ATOM 0 HG2 GLN A 204 -1.391 -3.287 -2.358 1.00 0.36 H new ATOM 0 HG3 GLN A 204 -2.294 -4.141 -3.592 1.00 0.36 H new ATOM 0 HE21 GLN A 204 -4.496 -4.634 -3.284 1.00 1.12 H new ATOM 0 HE22 GLN A 204 -5.446 -3.862 -2.011 1.00 1.12 H new ATOM 1070 N LEU A 205 -0.598 -2.986 -0.153 1.00 0.16 N ATOM 1071 CA LEU A 205 -0.106 -1.631 -0.154 1.00 0.15 C ATOM 1072 C LEU A 205 0.923 -1.430 0.963 1.00 0.18 C ATOM 1073 O LEU A 205 1.882 -0.669 0.806 1.00 0.19 O ATOM 1074 CB LEU A 205 -1.306 -0.703 -0.020 1.00 0.15 C ATOM 1075 CG LEU A 205 -1.027 0.787 -0.127 1.00 0.19 C ATOM 1076 CD1 LEU A 205 -0.283 1.114 -1.411 1.00 0.21 C ATOM 1077 CD2 LEU A 205 -2.336 1.553 -0.067 1.00 0.21 C ATOM 0 H LEU A 205 -1.490 -3.107 0.326 1.00 0.16 H new ATOM 0 HA LEU A 205 0.415 -1.404 -1.084 1.00 0.15 H new ATOM 0 HB2 LEU A 205 -2.031 -0.970 -0.789 1.00 0.15 H new ATOM 0 HB3 LEU A 205 -1.778 -0.893 0.944 1.00 0.15 H new ATOM 0 HG LEU A 205 -0.394 1.084 0.709 1.00 0.19 H new ATOM 0 HD11 LEU A 205 -0.097 2.187 -1.461 1.00 0.21 H new ATOM 0 HD12 LEU A 205 0.667 0.580 -1.427 1.00 0.21 H new ATOM 0 HD13 LEU A 205 -0.885 0.810 -2.268 1.00 0.21 H new ATOM 0 HD21 LEU A 205 -2.136 2.622 -0.144 1.00 0.21 H new ATOM 0 HD22 LEU A 205 -2.977 1.244 -0.893 1.00 0.21 H new ATOM 0 HD23 LEU A 205 -2.837 1.345 0.879 1.00 0.21 H new ATOM 1089 N SER A 206 0.711 -2.113 2.086 1.00 0.24 N ATOM 1090 CA SER A 206 1.693 -2.162 3.164 1.00 0.27 C ATOM 1091 C SER A 206 3.084 -2.529 2.623 1.00 0.22 C ATOM 1092 O SER A 206 4.063 -1.811 2.852 1.00 0.20 O ATOM 1093 CB SER A 206 1.248 -3.187 4.211 1.00 0.35 C ATOM 1094 OG SER A 206 -0.169 -3.214 4.307 1.00 0.60 O ATOM 0 H SER A 206 -0.140 -2.644 2.273 1.00 0.24 H new ATOM 0 HA SER A 206 1.759 -1.176 3.623 1.00 0.27 H new ATOM 0 HB2 SER A 206 1.619 -4.176 3.942 1.00 0.35 H new ATOM 0 HB3 SER A 206 1.680 -2.937 5.180 1.00 0.35 H new ATOM 0 HG SER A 206 -0.443 -2.890 5.190 1.00 0.60 H new ATOM 1100 N PHE A 207 3.170 -3.629 1.880 1.00 0.21 N ATOM 1101 CA PHE A 207 4.455 -4.079 1.358 1.00 0.19 C ATOM 1102 C PHE A 207 4.813 -3.396 0.043 1.00 0.18 C ATOM 1103 O PHE A 207 5.992 -3.328 -0.317 1.00 0.20 O ATOM 1104 CB PHE A 207 4.495 -5.595 1.213 1.00 0.24 C ATOM 1105 CG PHE A 207 5.026 -6.287 2.439 1.00 0.24 C ATOM 1106 CD1 PHE A 207 6.200 -5.865 3.041 1.00 0.25 C ATOM 1107 CD2 PHE A 207 4.334 -7.352 3.001 1.00 0.69 C ATOM 1108 CE1 PHE A 207 6.675 -6.496 4.176 1.00 0.26 C ATOM 1109 CE2 PHE A 207 4.805 -7.979 4.137 1.00 0.90 C ATOM 1110 CZ PHE A 207 6.040 -7.579 4.683 1.00 0.63 C ATOM 0 H PHE A 207 2.376 -4.218 1.629 1.00 0.21 H new ATOM 0 HA PHE A 207 5.210 -3.789 2.088 1.00 0.19 H new ATOM 0 HB2 PHE A 207 3.490 -5.961 1.002 1.00 0.24 H new ATOM 0 HB3 PHE A 207 5.116 -5.857 0.357 1.00 0.24 H new ATOM 0 HD1 PHE A 207 6.749 -5.036 2.620 1.00 0.25 H new ATOM 0 HD2 PHE A 207 3.417 -7.693 2.544 1.00 0.69 H new ATOM 0 HE1 PHE A 207 7.563 -6.121 4.664 1.00 0.26 H new ATOM 0 HE2 PHE A 207 4.233 -8.768 4.602 1.00 0.90 H new ATOM 0 HZ PHE A 207 6.478 -8.132 5.501 1.00 0.63 H new ATOM 1120 N VAL A 208 3.809 -2.899 -0.674 1.00 0.17 N ATOM 1121 CA VAL A 208 4.055 -2.016 -1.808 1.00 0.18 C ATOM 1122 C VAL A 208 4.989 -0.891 -1.373 1.00 0.17 C ATOM 1123 O VAL A 208 6.027 -0.654 -1.986 1.00 0.20 O ATOM 1124 CB VAL A 208 2.732 -1.425 -2.363 1.00 0.25 C ATOM 1125 CG1 VAL A 208 2.920 -0.003 -2.859 1.00 0.34 C ATOM 1126 CG2 VAL A 208 2.197 -2.290 -3.488 1.00 0.46 C ATOM 0 H VAL A 208 2.824 -3.091 -0.491 1.00 0.17 H new ATOM 0 HA VAL A 208 4.518 -2.596 -2.606 1.00 0.18 H new ATOM 0 HB VAL A 208 2.013 -1.409 -1.544 1.00 0.25 H new ATOM 0 HG11 VAL A 208 1.972 0.378 -3.240 1.00 0.34 H new ATOM 0 HG12 VAL A 208 3.260 0.627 -2.037 1.00 0.34 H new ATOM 0 HG13 VAL A 208 3.663 0.009 -3.656 1.00 0.34 H new ATOM 0 HG21 VAL A 208 1.269 -1.862 -3.866 1.00 0.46 H new ATOM 0 HG22 VAL A 208 2.931 -2.335 -4.293 1.00 0.46 H new ATOM 0 HG23 VAL A 208 2.007 -3.296 -3.114 1.00 0.46 H new ATOM 1136 N THR A 209 4.625 -0.237 -0.277 1.00 0.18 N ATOM 1137 CA THR A 209 5.426 0.838 0.269 1.00 0.20 C ATOM 1138 C THR A 209 6.797 0.311 0.684 1.00 0.20 C ATOM 1139 O THR A 209 7.821 0.890 0.338 1.00 0.21 O ATOM 1140 CB THR A 209 4.721 1.477 1.480 1.00 0.24 C ATOM 1141 OG1 THR A 209 3.347 1.725 1.155 1.00 0.27 O ATOM 1142 CG2 THR A 209 5.386 2.784 1.883 1.00 0.28 C ATOM 0 H THR A 209 3.775 -0.438 0.250 1.00 0.18 H new ATOM 0 HA THR A 209 5.554 1.599 -0.501 1.00 0.20 H new ATOM 0 HB THR A 209 4.792 0.785 2.319 1.00 0.24 H new ATOM 0 HG1 THR A 209 2.844 0.885 1.198 1.00 0.27 H new ATOM 0 HG21 THR A 209 4.864 3.209 2.740 1.00 0.28 H new ATOM 0 HG22 THR A 209 6.426 2.596 2.148 1.00 0.28 H new ATOM 0 HG23 THR A 209 5.345 3.485 1.050 1.00 0.28 H new ATOM 1150 N ALA A 210 6.796 -0.816 1.391 1.00 0.20 N ATOM 1151 CA ALA A 210 8.022 -1.425 1.902 1.00 0.21 C ATOM 1152 C ALA A 210 9.074 -1.656 0.816 1.00 0.17 C ATOM 1153 O ALA A 210 10.186 -1.142 0.914 1.00 0.18 O ATOM 1154 CB ALA A 210 7.704 -2.739 2.592 1.00 0.26 C ATOM 0 H ALA A 210 5.948 -1.332 1.626 1.00 0.20 H new ATOM 0 HA ALA A 210 8.447 -0.718 2.615 1.00 0.21 H new ATOM 0 HB1 ALA A 210 8.625 -3.184 2.969 1.00 0.26 H new ATOM 0 HB2 ALA A 210 7.022 -2.558 3.423 1.00 0.26 H new ATOM 0 HB3 ALA A 210 7.237 -3.420 1.881 1.00 0.26 H new ATOM 1160 N GLU A 211 8.723 -2.419 -0.214 1.00 0.19 N ATOM 1161 CA GLU A 211 9.677 -2.771 -1.263 1.00 0.20 C ATOM 1162 C GLU A 211 10.152 -1.519 -2.001 1.00 0.18 C ATOM 1163 O GLU A 211 11.313 -1.429 -2.408 1.00 0.22 O ATOM 1164 CB GLU A 211 9.047 -3.762 -2.246 1.00 0.28 C ATOM 1165 CG GLU A 211 9.998 -4.277 -3.321 1.00 1.01 C ATOM 1166 CD GLU A 211 11.022 -5.270 -2.797 1.00 1.30 C ATOM 1167 OE1 GLU A 211 12.104 -4.834 -2.350 1.00 1.87 O ATOM 1168 OE2 GLU A 211 10.744 -6.486 -2.802 1.00 1.63 O ATOM 0 H GLU A 211 7.788 -2.805 -0.346 1.00 0.19 H new ATOM 0 HA GLU A 211 10.541 -3.244 -0.797 1.00 0.20 H new ATOM 0 HB2 GLU A 211 8.657 -4.612 -1.686 1.00 0.28 H new ATOM 0 HB3 GLU A 211 8.196 -3.283 -2.731 1.00 0.28 H new ATOM 0 HG2 GLU A 211 9.417 -4.750 -4.113 1.00 1.01 H new ATOM 0 HG3 GLU A 211 10.520 -3.431 -3.769 1.00 1.01 H new ATOM 1175 N LEU A 212 9.260 -0.540 -2.145 1.00 0.17 N ATOM 1176 CA LEU A 212 9.602 0.702 -2.835 1.00 0.18 C ATOM 1177 C LEU A 212 10.541 1.549 -1.979 1.00 0.18 C ATOM 1178 O LEU A 212 11.427 2.227 -2.499 1.00 0.22 O ATOM 1179 CB LEU A 212 8.347 1.496 -3.216 1.00 0.18 C ATOM 1180 CG LEU A 212 7.392 0.774 -4.169 1.00 0.18 C ATOM 1181 CD1 LEU A 212 6.197 1.654 -4.489 1.00 0.19 C ATOM 1182 CD2 LEU A 212 8.113 0.362 -5.445 1.00 0.20 C ATOM 0 H LEU A 212 8.302 -0.582 -1.796 1.00 0.17 H new ATOM 0 HA LEU A 212 10.118 0.440 -3.759 1.00 0.18 H new ATOM 0 HB2 LEU A 212 7.805 1.750 -2.305 1.00 0.18 H new ATOM 0 HB3 LEU A 212 8.655 2.435 -3.676 1.00 0.18 H new ATOM 0 HG LEU A 212 7.033 -0.129 -3.676 1.00 0.18 H new ATOM 0 HD11 LEU A 212 5.528 1.126 -5.168 1.00 0.19 H new ATOM 0 HD12 LEU A 212 5.665 1.894 -3.568 1.00 0.19 H new ATOM 0 HD13 LEU A 212 6.539 2.575 -4.961 1.00 0.19 H new ATOM 0 HD21 LEU A 212 7.415 -0.150 -6.108 1.00 0.20 H new ATOM 0 HD22 LEU A 212 8.504 1.248 -5.944 1.00 0.20 H new ATOM 0 HD23 LEU A 212 8.936 -0.308 -5.198 1.00 0.20 H new ATOM 1194 N LEU A 213 10.359 1.494 -0.667 1.00 0.16 N ATOM 1195 CA LEU A 213 11.265 2.165 0.258 1.00 0.16 C ATOM 1196 C LEU A 213 12.667 1.572 0.142 1.00 0.17 C ATOM 1197 O LEU A 213 13.665 2.295 0.161 1.00 0.23 O ATOM 1198 CB LEU A 213 10.762 2.034 1.701 1.00 0.17 C ATOM 1199 CG LEU A 213 9.421 2.715 1.994 1.00 0.20 C ATOM 1200 CD1 LEU A 213 8.949 2.388 3.407 1.00 0.22 C ATOM 1201 CD2 LEU A 213 9.533 4.221 1.803 1.00 0.24 C ATOM 0 H LEU A 213 9.593 0.992 -0.218 1.00 0.16 H new ATOM 0 HA LEU A 213 11.300 3.223 -0.003 1.00 0.16 H new ATOM 0 HB2 LEU A 213 10.673 0.975 1.942 1.00 0.17 H new ATOM 0 HB3 LEU A 213 11.515 2.450 2.370 1.00 0.17 H new ATOM 0 HG LEU A 213 8.682 2.333 1.289 1.00 0.20 H new ATOM 0 HD11 LEU A 213 7.995 2.881 3.595 1.00 0.22 H new ATOM 0 HD12 LEU A 213 8.826 1.310 3.509 1.00 0.22 H new ATOM 0 HD13 LEU A 213 9.687 2.739 4.128 1.00 0.22 H new ATOM 0 HD21 LEU A 213 8.571 4.687 2.016 1.00 0.24 H new ATOM 0 HD22 LEU A 213 10.287 4.619 2.482 1.00 0.24 H new ATOM 0 HD23 LEU A 213 9.821 4.437 0.774 1.00 0.24 H new ATOM 1213 N LEU A 214 12.720 0.253 -0.012 1.00 0.18 N ATOM 1214 CA LEU A 214 13.980 -0.476 -0.111 1.00 0.22 C ATOM 1215 C LEU A 214 14.705 -0.157 -1.411 1.00 0.27 C ATOM 1216 O LEU A 214 15.869 0.237 -1.396 1.00 0.36 O ATOM 1217 CB LEU A 214 13.723 -1.983 -0.031 1.00 0.20 C ATOM 1218 CG LEU A 214 13.036 -2.459 1.247 1.00 0.23 C ATOM 1219 CD1 LEU A 214 12.730 -3.949 1.168 1.00 0.25 C ATOM 1220 CD2 LEU A 214 13.908 -2.155 2.452 1.00 0.32 C ATOM 0 H LEU A 214 11.892 -0.340 -0.072 1.00 0.18 H new ATOM 0 HA LEU A 214 14.610 -0.164 0.722 1.00 0.22 H new ATOM 0 HB2 LEU A 214 13.111 -2.277 -0.884 1.00 0.20 H new ATOM 0 HB3 LEU A 214 14.676 -2.503 -0.128 1.00 0.20 H new ATOM 0 HG LEU A 214 12.092 -1.925 1.356 1.00 0.23 H new ATOM 0 HD11 LEU A 214 12.241 -4.269 2.088 1.00 0.25 H new ATOM 0 HD12 LEU A 214 12.071 -4.141 0.321 1.00 0.25 H new ATOM 0 HD13 LEU A 214 13.659 -4.505 1.039 1.00 0.25 H new ATOM 0 HD21 LEU A 214 13.409 -2.498 3.358 1.00 0.32 H new ATOM 0 HD22 LEU A 214 14.864 -2.668 2.348 1.00 0.32 H new ATOM 0 HD23 LEU A 214 14.078 -1.080 2.516 1.00 0.32 H new ATOM 1232 N THR A 215 14.010 -0.315 -2.532 1.00 0.34 N ATOM 1233 CA THR A 215 14.632 -0.155 -3.843 1.00 0.43 C ATOM 1234 C THR A 215 15.178 1.263 -4.054 1.00 0.39 C ATOM 1235 O THR A 215 16.198 1.443 -4.723 1.00 0.42 O ATOM 1236 CB THR A 215 13.656 -0.543 -4.984 1.00 0.60 C ATOM 1237 OG1 THR A 215 14.218 -0.236 -6.265 1.00 1.48 O ATOM 1238 CG2 THR A 215 12.323 0.161 -4.836 1.00 0.55 C ATOM 0 H THR A 215 13.019 -0.553 -2.560 1.00 0.34 H new ATOM 0 HA THR A 215 15.480 -0.839 -3.873 1.00 0.43 H new ATOM 0 HB THR A 215 13.492 -1.618 -4.913 1.00 0.60 H new ATOM 0 HG1 THR A 215 13.881 0.632 -6.571 1.00 1.48 H new ATOM 0 HG21 THR A 215 11.663 -0.134 -5.652 1.00 0.55 H new ATOM 0 HG22 THR A 215 11.869 -0.116 -3.884 1.00 0.55 H new ATOM 0 HG23 THR A 215 12.476 1.240 -4.865 1.00 0.55 H new ATOM 1246 N ASN A 216 14.517 2.267 -3.483 1.00 0.39 N ATOM 1247 CA ASN A 216 15.000 3.638 -3.595 1.00 0.44 C ATOM 1248 C ASN A 216 16.128 3.929 -2.615 1.00 0.39 C ATOM 1249 O ASN A 216 16.937 4.829 -2.841 1.00 0.50 O ATOM 1250 CB ASN A 216 13.869 4.635 -3.359 1.00 0.51 C ATOM 1251 CG ASN A 216 12.900 4.701 -4.512 1.00 1.05 C ATOM 1252 OD1 ASN A 216 13.154 5.367 -5.508 1.00 1.85 O ATOM 1253 ND2 ASN A 216 11.769 4.037 -4.377 1.00 1.13 N ATOM 0 H ASN A 216 13.657 2.159 -2.945 1.00 0.39 H new ATOM 0 HA ASN A 216 15.384 3.749 -4.609 1.00 0.44 H new ATOM 0 HB2 ASN A 216 13.330 4.359 -2.453 1.00 0.51 H new ATOM 0 HB3 ASN A 216 14.293 5.625 -3.189 1.00 0.51 H new ATOM 0 HD21 ASN A 216 11.068 4.067 -5.118 1.00 1.13 H new ATOM 0 HD22 ASN A 216 11.595 3.493 -3.532 1.00 1.13 H new ATOM 1260 N GLY A 217 16.179 3.169 -1.533 1.00 0.29 N ATOM 1261 CA GLY A 217 17.174 3.411 -0.510 1.00 0.26 C ATOM 1262 C GLY A 217 16.683 4.393 0.534 1.00 0.31 C ATOM 1263 O GLY A 217 17.442 4.805 1.410 1.00 0.40 O ATOM 0 H GLY A 217 15.549 2.389 -1.345 1.00 0.29 H new ATOM 0 HA2 GLY A 217 17.436 2.469 -0.028 1.00 0.26 H new ATOM 0 HA3 GLY A 217 18.083 3.796 -0.972 1.00 0.26 H new ATOM 1267 N ILE A 218 15.418 4.803 0.409 1.00 0.42 N ATOM 1268 CA ILE A 218 14.756 5.621 1.422 1.00 0.55 C ATOM 1269 C ILE A 218 14.901 5.000 2.812 1.00 0.45 C ATOM 1270 O ILE A 218 15.240 5.683 3.781 1.00 0.55 O ATOM 1271 CB ILE A 218 13.258 5.778 1.111 1.00 0.76 C ATOM 1272 CG1 ILE A 218 13.077 6.252 -0.326 1.00 1.00 C ATOM 1273 CG2 ILE A 218 12.611 6.757 2.085 1.00 0.89 C ATOM 1274 CD1 ILE A 218 11.634 6.407 -0.725 1.00 2.21 C ATOM 0 H ILE A 218 14.829 4.578 -0.393 1.00 0.42 H new ATOM 0 HA ILE A 218 15.238 6.599 1.407 1.00 0.55 H new ATOM 0 HB ILE A 218 12.768 4.811 1.227 1.00 0.76 H new ATOM 0 HG12 ILE A 218 13.586 7.207 -0.453 1.00 1.00 H new ATOM 0 HG13 ILE A 218 13.558 5.542 -0.999 1.00 1.00 H new ATOM 0 HG21 ILE A 218 11.551 6.856 1.851 1.00 0.89 H new ATOM 0 HG22 ILE A 218 12.724 6.385 3.103 1.00 0.89 H new ATOM 0 HG23 ILE A 218 13.095 7.730 1.998 1.00 0.89 H new ATOM 0 HD11 ILE A 218 11.577 6.747 -1.759 1.00 2.21 H new ATOM 0 HD12 ILE A 218 11.125 5.448 -0.630 1.00 2.21 H new ATOM 0 HD13 ILE A 218 11.154 7.139 -0.076 1.00 2.21 H new ATOM 1286 N CYS A 219 14.643 3.701 2.893 1.00 0.39 N ATOM 1287 CA CYS A 219 14.714 2.975 4.151 1.00 0.42 C ATOM 1288 C CYS A 219 15.239 1.567 3.902 1.00 0.35 C ATOM 1289 O CYS A 219 15.101 1.039 2.799 1.00 0.34 O ATOM 1290 CB CYS A 219 13.331 2.912 4.800 1.00 0.53 C ATOM 1291 SG CYS A 219 12.600 4.534 5.131 1.00 0.86 S ATOM 0 H CYS A 219 14.380 3.125 2.093 1.00 0.39 H new ATOM 0 HA CYS A 219 15.394 3.496 4.826 1.00 0.42 H new ATOM 0 HB2 CYS A 219 12.661 2.349 4.150 1.00 0.53 H new ATOM 0 HB3 CYS A 219 13.405 2.360 5.737 1.00 0.53 H new ATOM 0 HG CYS A 219 11.814 4.453 6.163 1.00 0.86 H new ATOM 1297 N LYS A 220 15.836 0.964 4.920 1.00 0.39 N ATOM 1298 CA LYS A 220 16.413 -0.362 4.783 1.00 0.42 C ATOM 1299 C LYS A 220 15.461 -1.405 5.356 1.00 0.36 C ATOM 1300 O LYS A 220 14.483 -1.053 6.014 1.00 0.31 O ATOM 1301 CB LYS A 220 17.754 -0.452 5.519 1.00 0.54 C ATOM 1302 CG LYS A 220 18.658 0.754 5.312 1.00 0.63 C ATOM 1303 CD LYS A 220 19.962 0.618 6.087 1.00 1.57 C ATOM 1304 CE LYS A 220 19.724 0.425 7.584 1.00 2.57 C ATOM 1305 NZ LYS A 220 18.991 1.566 8.203 1.00 3.40 N ATOM 0 H LYS A 220 15.933 1.373 5.849 1.00 0.39 H new ATOM 0 HA LYS A 220 16.577 -0.551 3.722 1.00 0.42 H new ATOM 0 HB2 LYS A 220 17.564 -0.571 6.586 1.00 0.54 H new ATOM 0 HB3 LYS A 220 18.279 -1.348 5.187 1.00 0.54 H new ATOM 0 HG2 LYS A 220 18.876 0.868 4.250 1.00 0.63 H new ATOM 0 HG3 LYS A 220 18.138 1.658 5.630 1.00 0.63 H new ATOM 0 HD2 LYS A 220 20.528 -0.229 5.698 1.00 1.57 H new ATOM 0 HD3 LYS A 220 20.571 1.508 5.929 1.00 1.57 H new ATOM 0 HE2 LYS A 220 19.158 -0.493 7.742 1.00 2.57 H new ATOM 0 HE3 LYS A 220 20.683 0.299 8.087 1.00 2.57 H new ATOM 0 HZ1 LYS A 220 18.753 1.332 9.188 1.00 3.40 H new ATOM 0 HZ2 LYS A 220 19.591 2.415 8.184 1.00 3.40 H new ATOM 0 HZ3 LYS A 220 18.117 1.748 7.669 1.00 3.40 H new ATOM 1319 N VAL A 221 15.737 -2.679 5.110 1.00 0.40 N ATOM 1320 CA VAL A 221 14.926 -3.757 5.674 1.00 0.41 C ATOM 1321 C VAL A 221 14.864 -3.640 7.198 1.00 0.40 C ATOM 1322 O VAL A 221 13.799 -3.786 7.807 1.00 0.39 O ATOM 1323 CB VAL A 221 15.481 -5.147 5.287 1.00 0.50 C ATOM 1324 CG1 VAL A 221 14.595 -6.262 5.834 1.00 0.55 C ATOM 1325 CG2 VAL A 221 15.622 -5.269 3.775 1.00 0.55 C ATOM 0 H VAL A 221 16.512 -2.993 4.527 1.00 0.40 H new ATOM 0 HA VAL A 221 13.922 -3.659 5.260 1.00 0.41 H new ATOM 0 HB VAL A 221 16.470 -5.250 5.735 1.00 0.50 H new ATOM 0 HG11 VAL A 221 15.008 -7.229 5.547 1.00 0.55 H new ATOM 0 HG12 VAL A 221 14.553 -6.193 6.921 1.00 0.55 H new ATOM 0 HG13 VAL A 221 13.590 -6.162 5.425 1.00 0.55 H new ATOM 0 HG21 VAL A 221 16.014 -6.255 3.524 1.00 0.55 H new ATOM 0 HG22 VAL A 221 14.647 -5.137 3.307 1.00 0.55 H new ATOM 0 HG23 VAL A 221 16.306 -4.503 3.410 1.00 0.55 H new ATOM 1335 N ASP A 222 16.007 -3.320 7.792 1.00 0.44 N ATOM 1336 CA ASP A 222 16.135 -3.188 9.243 1.00 0.50 C ATOM 1337 C ASP A 222 15.295 -2.022 9.774 1.00 0.42 C ATOM 1338 O ASP A 222 15.003 -1.938 10.966 1.00 0.43 O ATOM 1339 CB ASP A 222 17.615 -2.994 9.595 1.00 0.68 C ATOM 1340 CG ASP A 222 17.891 -2.973 11.086 1.00 1.28 C ATOM 1341 OD1 ASP A 222 17.386 -3.858 11.805 1.00 2.02 O ATOM 1342 OD2 ASP A 222 18.660 -2.097 11.535 1.00 1.91 O ATOM 0 H ASP A 222 16.873 -3.144 7.283 1.00 0.44 H new ATOM 0 HA ASP A 222 15.760 -4.095 9.716 1.00 0.50 H new ATOM 0 HB2 ASP A 222 18.196 -3.796 9.139 1.00 0.68 H new ATOM 0 HB3 ASP A 222 17.964 -2.059 9.157 1.00 0.68 H new ATOM 1347 N ASP A 223 14.897 -1.130 8.872 1.00 0.38 N ATOM 1348 CA ASP A 223 14.070 0.020 9.234 1.00 0.37 C ATOM 1349 C ASP A 223 12.587 -0.328 9.121 1.00 0.30 C ATOM 1350 O ASP A 223 11.728 0.382 9.641 1.00 0.31 O ATOM 1351 CB ASP A 223 14.388 1.229 8.351 1.00 0.44 C ATOM 1352 CG ASP A 223 15.841 1.656 8.440 1.00 0.52 C ATOM 1353 OD1 ASP A 223 16.355 1.822 9.561 1.00 0.59 O ATOM 1354 OD2 ASP A 223 16.486 1.809 7.381 1.00 0.61 O ATOM 0 H ASP A 223 15.134 -1.181 7.881 1.00 0.38 H new ATOM 0 HA ASP A 223 14.297 0.278 10.268 1.00 0.37 H new ATOM 0 HB2 ASP A 223 14.147 0.990 7.315 1.00 0.44 H new ATOM 0 HB3 ASP A 223 13.750 2.064 8.642 1.00 0.44 H new ATOM 1359 N LEU A 224 12.298 -1.442 8.453 1.00 0.28 N ATOM 1360 CA LEU A 224 10.917 -1.838 8.180 1.00 0.28 C ATOM 1361 C LEU A 224 10.436 -2.881 9.182 1.00 0.28 C ATOM 1362 O LEU A 224 9.258 -2.941 9.508 1.00 0.26 O ATOM 1363 CB LEU A 224 10.776 -2.378 6.756 1.00 0.35 C ATOM 1364 CG LEU A 224 11.152 -1.398 5.647 1.00 0.39 C ATOM 1365 CD1 LEU A 224 10.899 -2.027 4.290 1.00 0.49 C ATOM 1366 CD2 LEU A 224 10.384 -0.090 5.794 1.00 0.41 C ATOM 0 H LEU A 224 13.000 -2.087 8.091 1.00 0.28 H new ATOM 0 HA LEU A 224 10.295 -0.949 8.281 1.00 0.28 H new ATOM 0 HB2 LEU A 224 11.399 -3.267 6.659 1.00 0.35 H new ATOM 0 HB3 LEU A 224 9.744 -2.693 6.605 1.00 0.35 H new ATOM 0 HG LEU A 224 12.214 -1.168 5.730 1.00 0.39 H new ATOM 0 HD11 LEU A 224 11.170 -1.321 3.505 1.00 0.49 H new ATOM 0 HD12 LEU A 224 11.501 -2.930 4.189 1.00 0.49 H new ATOM 0 HD13 LEU A 224 9.843 -2.283 4.199 1.00 0.49 H new ATOM 0 HD21 LEU A 224 10.669 0.591 4.992 1.00 0.41 H new ATOM 0 HD22 LEU A 224 9.314 -0.288 5.738 1.00 0.41 H new ATOM 0 HD23 LEU A 224 10.619 0.364 6.757 1.00 0.41 H new ATOM 1378 N ILE A 225 11.356 -3.718 9.635 1.00 0.37 N ATOM 1379 CA ILE A 225 11.063 -4.690 10.686 1.00 0.42 C ATOM 1380 C ILE A 225 10.395 -4.043 11.921 1.00 0.40 C ATOM 1381 O ILE A 225 9.481 -4.637 12.498 1.00 0.48 O ATOM 1382 CB ILE A 225 12.317 -5.468 11.113 1.00 0.49 C ATOM 1383 CG1 ILE A 225 13.036 -5.991 9.866 1.00 0.56 C ATOM 1384 CG2 ILE A 225 11.932 -6.607 12.048 1.00 0.71 C ATOM 1385 CD1 ILE A 225 13.930 -7.184 10.115 1.00 0.59 C ATOM 0 H ILE A 225 12.316 -3.747 9.292 1.00 0.37 H new ATOM 0 HA ILE A 225 10.352 -5.392 10.251 1.00 0.42 H new ATOM 0 HB ILE A 225 12.995 -4.808 11.654 1.00 0.49 H new ATOM 0 HG12 ILE A 225 12.290 -6.261 9.118 1.00 0.56 H new ATOM 0 HG13 ILE A 225 13.635 -5.185 9.442 1.00 0.56 H new ATOM 0 HG21 ILE A 225 12.828 -7.152 12.345 1.00 0.71 H new ATOM 0 HG22 ILE A 225 11.444 -6.201 12.934 1.00 0.71 H new ATOM 0 HG23 ILE A 225 11.249 -7.284 11.535 1.00 0.71 H new ATOM 0 HD11 ILE A 225 14.399 -7.489 9.179 1.00 0.59 H new ATOM 0 HD12 ILE A 225 14.701 -6.916 10.837 1.00 0.59 H new ATOM 0 HD13 ILE A 225 13.335 -8.009 10.508 1.00 0.59 H new ATOM 1397 N PRO A 226 10.835 -2.838 12.366 1.00 0.36 N ATOM 1398 CA PRO A 226 10.120 -2.072 13.402 1.00 0.39 C ATOM 1399 C PRO A 226 8.628 -1.893 13.094 1.00 0.38 C ATOM 1400 O PRO A 226 7.801 -1.843 14.004 1.00 0.52 O ATOM 1401 CB PRO A 226 10.827 -0.717 13.388 1.00 0.43 C ATOM 1402 CG PRO A 226 12.211 -1.027 12.949 1.00 0.44 C ATOM 1403 CD PRO A 226 12.089 -2.162 11.971 1.00 0.37 C ATOM 0 HA PRO A 226 10.146 -2.582 14.365 1.00 0.39 H new ATOM 0 HB2 PRO A 226 10.340 -0.022 12.705 1.00 0.43 H new ATOM 0 HB3 PRO A 226 10.817 -0.254 14.375 1.00 0.43 H new ATOM 0 HG2 PRO A 226 12.677 -0.159 12.483 1.00 0.44 H new ATOM 0 HG3 PRO A 226 12.836 -1.307 13.797 1.00 0.44 H new ATOM 0 HD2 PRO A 226 12.042 -1.801 10.944 1.00 0.37 H new ATOM 0 HD3 PRO A 226 12.943 -2.836 12.033 1.00 0.37 H new ATOM 1411 N LEU A 227 8.287 -1.806 11.809 1.00 0.29 N ATOM 1412 CA LEU A 227 6.890 -1.706 11.394 1.00 0.35 C ATOM 1413 C LEU A 227 6.212 -3.054 11.609 1.00 0.43 C ATOM 1414 O LEU A 227 5.080 -3.132 12.065 1.00 0.70 O ATOM 1415 CB LEU A 227 6.774 -1.335 9.910 1.00 0.33 C ATOM 1416 CG LEU A 227 7.545 -0.097 9.467 1.00 0.31 C ATOM 1417 CD1 LEU A 227 7.385 0.094 7.974 1.00 0.33 C ATOM 1418 CD2 LEU A 227 7.061 1.129 10.208 1.00 0.37 C ATOM 0 H LEU A 227 8.957 -1.803 11.040 1.00 0.29 H new ATOM 0 HA LEU A 227 6.412 -0.927 11.988 1.00 0.35 H new ATOM 0 HB2 LEU A 227 7.116 -2.183 9.316 1.00 0.33 H new ATOM 0 HB3 LEU A 227 5.720 -1.186 9.675 1.00 0.33 H new ATOM 0 HG LEU A 227 8.600 -0.238 9.700 1.00 0.31 H new ATOM 0 HD11 LEU A 227 7.937 0.980 7.659 1.00 0.33 H new ATOM 0 HD12 LEU A 227 7.773 -0.780 7.452 1.00 0.33 H new ATOM 0 HD13 LEU A 227 6.329 0.220 7.734 1.00 0.33 H new ATOM 0 HD21 LEU A 227 7.625 2.001 9.876 1.00 0.37 H new ATOM 0 HD22 LEU A 227 6.001 1.283 10.004 1.00 0.37 H new ATOM 0 HD23 LEU A 227 7.207 0.988 11.279 1.00 0.37 H new ATOM 1430 N ALA A 228 6.946 -4.116 11.286 1.00 0.54 N ATOM 1431 CA ALA A 228 6.437 -5.483 11.354 1.00 0.66 C ATOM 1432 C ALA A 228 6.271 -5.963 12.791 1.00 0.73 C ATOM 1433 O ALA A 228 5.603 -6.966 13.052 1.00 1.47 O ATOM 1434 CB ALA A 228 7.376 -6.419 10.607 1.00 0.76 C ATOM 0 H ALA A 228 7.913 -4.052 10.969 1.00 0.54 H new ATOM 0 HA ALA A 228 5.452 -5.490 10.888 1.00 0.66 H new ATOM 0 HB1 ALA A 228 6.992 -7.438 10.660 1.00 0.76 H new ATOM 0 HB2 ALA A 228 7.443 -6.111 9.564 1.00 0.76 H new ATOM 0 HB3 ALA A 228 8.366 -6.380 11.061 1.00 0.76 H new ATOM 1441 N GLU B 630 -9.226 11.162 -1.839 1.00 1.19 N ATOM 1442 CA GLU B 630 -8.972 9.791 -1.420 1.00 0.73 C ATOM 1443 C GLU B 630 -7.878 9.143 -2.267 1.00 0.58 C ATOM 1444 O GLU B 630 -6.859 9.775 -2.544 1.00 0.83 O ATOM 1445 CB GLU B 630 -10.273 8.987 -1.450 1.00 1.57 C ATOM 1446 CG GLU B 630 -11.430 9.676 -0.726 1.00 2.16 C ATOM 1447 CD GLU B 630 -11.055 10.197 0.654 1.00 2.88 C ATOM 1448 OE1 GLU B 630 -10.368 11.233 0.736 1.00 3.07 O ATOM 1449 OE2 GLU B 630 -11.435 9.553 1.666 1.00 3.66 O ATOM 0 HA GLU B 630 -8.604 9.801 -0.394 1.00 0.73 H new ATOM 0 HB2 GLU B 630 -10.558 8.809 -2.487 1.00 1.57 H new ATOM 0 HB3 GLU B 630 -10.099 8.012 -0.995 1.00 1.57 H new ATOM 0 HG2 GLU B 630 -11.787 10.506 -1.335 1.00 2.16 H new ATOM 0 HG3 GLU B 630 -12.258 8.973 -0.628 1.00 2.16 H new ATOM 1455 N LEU B 631 -8.079 7.891 -2.664 1.00 0.48 N ATOM 1456 CA LEU B 631 -7.041 7.143 -3.359 1.00 0.35 C ATOM 1457 C LEU B 631 -6.756 7.714 -4.739 1.00 0.41 C ATOM 1458 O LEU B 631 -7.661 7.881 -5.559 1.00 0.51 O ATOM 1459 CB LEU B 631 -7.410 5.666 -3.471 1.00 0.31 C ATOM 1460 CG LEU B 631 -7.087 4.828 -2.236 1.00 0.30 C ATOM 1461 CD1 LEU B 631 -7.481 3.383 -2.462 1.00 0.37 C ATOM 1462 CD2 LEU B 631 -5.608 4.920 -1.906 1.00 0.27 C ATOM 0 H LEU B 631 -8.947 7.376 -2.517 1.00 0.48 H new ATOM 0 HA LEU B 631 -6.133 7.236 -2.763 1.00 0.35 H new ATOM 0 HB2 LEU B 631 -8.478 5.588 -3.676 1.00 0.31 H new ATOM 0 HB3 LEU B 631 -6.888 5.240 -4.328 1.00 0.31 H new ATOM 0 HG LEU B 631 -7.658 5.220 -1.394 1.00 0.30 H new ATOM 0 HD11 LEU B 631 -7.245 2.798 -1.573 1.00 0.37 H new ATOM 0 HD12 LEU B 631 -8.551 3.324 -2.661 1.00 0.37 H new ATOM 0 HD13 LEU B 631 -6.931 2.985 -3.315 1.00 0.37 H new ATOM 0 HD21 LEU B 631 -5.394 4.317 -1.023 1.00 0.27 H new ATOM 0 HD22 LEU B 631 -5.024 4.550 -2.748 1.00 0.27 H new ATOM 0 HD23 LEU B 631 -5.343 5.959 -1.709 1.00 0.27 H new ATOM 1474 N PRO B 632 -5.486 8.041 -4.996 1.00 0.41 N ATOM 1475 CA PRO B 632 -5.046 8.530 -6.291 1.00 0.52 C ATOM 1476 C PRO B 632 -4.886 7.406 -7.314 1.00 0.48 C ATOM 1477 O PRO B 632 -4.582 6.266 -6.948 1.00 0.46 O ATOM 1478 CB PRO B 632 -3.692 9.191 -6.011 1.00 0.70 C ATOM 1479 CG PRO B 632 -3.382 8.954 -4.559 1.00 0.56 C ATOM 1480 CD PRO B 632 -4.389 7.969 -4.029 1.00 0.41 C ATOM 0 HA PRO B 632 -5.777 9.214 -6.723 1.00 0.52 H new ATOM 0 HB2 PRO B 632 -2.916 8.765 -6.646 1.00 0.70 H new ATOM 0 HB3 PRO B 632 -3.731 10.258 -6.228 1.00 0.70 H new ATOM 0 HG2 PRO B 632 -2.370 8.566 -4.443 1.00 0.56 H new ATOM 0 HG3 PRO B 632 -3.431 9.889 -4.000 1.00 0.56 H new ATOM 0 HD2 PRO B 632 -3.973 6.963 -3.970 1.00 0.41 H new ATOM 0 HD3 PRO B 632 -4.721 8.236 -3.026 1.00 0.41 H new ATOM 1488 N THR B 633 -5.096 7.739 -8.580 1.00 0.55 N ATOM 1489 CA THR B 633 -5.117 6.770 -9.681 1.00 0.66 C ATOM 1490 C THR B 633 -3.986 5.732 -9.623 1.00 0.56 C ATOM 1491 O THR B 633 -4.242 4.524 -9.682 1.00 0.55 O ATOM 1492 CB THR B 633 -5.070 7.506 -11.032 1.00 0.91 C ATOM 1493 OG1 THR B 633 -4.339 8.738 -10.893 1.00 1.82 O ATOM 1494 CG2 THR B 633 -6.478 7.796 -11.533 1.00 1.32 C ATOM 0 H THR B 633 -5.259 8.700 -8.881 1.00 0.55 H new ATOM 0 HA THR B 633 -6.050 6.217 -9.574 1.00 0.66 H new ATOM 0 HB THR B 633 -4.567 6.867 -11.758 1.00 0.91 H new ATOM 0 HG1 THR B 633 -3.455 8.553 -10.513 1.00 1.82 H new ATOM 0 HG21 THR B 633 -6.424 8.317 -12.489 1.00 1.32 H new ATOM 0 HG22 THR B 633 -7.019 6.858 -11.660 1.00 1.32 H new ATOM 0 HG23 THR B 633 -7.000 8.421 -10.809 1.00 1.32 H new ATOM 1502 N GLU B 634 -2.752 6.209 -9.497 1.00 0.55 N ATOM 1503 CA GLU B 634 -1.567 5.355 -9.514 1.00 0.54 C ATOM 1504 C GLU B 634 -1.639 4.268 -8.446 1.00 0.43 C ATOM 1505 O GLU B 634 -1.206 3.135 -8.669 1.00 0.45 O ATOM 1506 CB GLU B 634 -0.302 6.199 -9.308 1.00 0.62 C ATOM 1507 CG GLU B 634 -0.051 7.233 -10.400 1.00 1.26 C ATOM 1508 CD GLU B 634 -0.727 8.569 -10.139 1.00 1.30 C ATOM 1509 OE1 GLU B 634 -1.900 8.591 -9.712 1.00 1.65 O ATOM 1510 OE2 GLU B 634 -0.075 9.611 -10.344 1.00 1.70 O ATOM 0 H GLU B 634 -2.544 7.201 -9.380 1.00 0.55 H new ATOM 0 HA GLU B 634 -1.528 4.869 -10.489 1.00 0.54 H new ATOM 0 HB2 GLU B 634 -0.374 6.711 -8.349 1.00 0.62 H new ATOM 0 HB3 GLU B 634 0.559 5.533 -9.250 1.00 0.62 H new ATOM 0 HG2 GLU B 634 1.023 7.392 -10.499 1.00 1.26 H new ATOM 0 HG3 GLU B 634 -0.404 6.837 -11.352 1.00 1.26 H new ATOM 1517 N VAL B 635 -2.186 4.617 -7.290 1.00 0.33 N ATOM 1518 CA VAL B 635 -2.305 3.675 -6.190 1.00 0.28 C ATOM 1519 C VAL B 635 -3.225 2.521 -6.562 1.00 0.27 C ATOM 1520 O VAL B 635 -2.841 1.362 -6.434 1.00 0.28 O ATOM 1521 CB VAL B 635 -2.805 4.363 -4.901 1.00 0.28 C ATOM 1522 CG1 VAL B 635 -2.880 3.369 -3.746 1.00 0.32 C ATOM 1523 CG2 VAL B 635 -1.898 5.532 -4.550 1.00 0.35 C ATOM 0 H VAL B 635 -2.554 5.547 -7.091 1.00 0.33 H new ATOM 0 HA VAL B 635 -1.308 3.280 -5.994 1.00 0.28 H new ATOM 0 HB VAL B 635 -3.811 4.742 -5.078 1.00 0.28 H new ATOM 0 HG11 VAL B 635 -3.235 3.878 -2.850 1.00 0.32 H new ATOM 0 HG12 VAL B 635 -3.569 2.564 -4.003 1.00 0.32 H new ATOM 0 HG13 VAL B 635 -1.890 2.953 -3.559 1.00 0.32 H new ATOM 0 HG21 VAL B 635 -2.258 6.011 -3.640 1.00 0.35 H new ATOM 0 HG22 VAL B 635 -0.882 5.170 -4.392 1.00 0.35 H new ATOM 0 HG23 VAL B 635 -1.903 6.254 -5.366 1.00 0.35 H new ATOM 1533 N LEU B 636 -4.431 2.851 -7.026 1.00 0.29 N ATOM 1534 CA LEU B 636 -5.394 1.851 -7.491 1.00 0.33 C ATOM 1535 C LEU B 636 -4.730 0.816 -8.398 1.00 0.34 C ATOM 1536 O LEU B 636 -4.827 -0.393 -8.157 1.00 0.36 O ATOM 1537 CB LEU B 636 -6.533 2.534 -8.256 1.00 0.40 C ATOM 1538 CG LEU B 636 -7.278 3.635 -7.494 1.00 0.47 C ATOM 1539 CD1 LEU B 636 -8.308 4.296 -8.395 1.00 0.57 C ATOM 1540 CD2 LEU B 636 -7.950 3.073 -6.247 1.00 0.51 C ATOM 0 H LEU B 636 -4.767 3.812 -7.090 1.00 0.29 H new ATOM 0 HA LEU B 636 -5.789 1.340 -6.613 1.00 0.33 H new ATOM 0 HB2 LEU B 636 -6.125 2.963 -9.171 1.00 0.40 H new ATOM 0 HB3 LEU B 636 -7.254 1.773 -8.554 1.00 0.40 H new ATOM 0 HG LEU B 636 -6.551 4.385 -7.182 1.00 0.47 H new ATOM 0 HD11 LEU B 636 -8.829 5.076 -7.840 1.00 0.57 H new ATOM 0 HD12 LEU B 636 -7.808 4.737 -9.257 1.00 0.57 H new ATOM 0 HD13 LEU B 636 -9.027 3.550 -8.734 1.00 0.57 H new ATOM 0 HD21 LEU B 636 -8.472 3.873 -5.723 1.00 0.51 H new ATOM 0 HD22 LEU B 636 -8.664 2.301 -6.535 1.00 0.51 H new ATOM 0 HD23 LEU B 636 -7.195 2.642 -5.590 1.00 0.51 H new ATOM 1552 N ASP B 637 -4.040 1.301 -9.428 1.00 0.36 N ATOM 1553 CA ASP B 637 -3.358 0.436 -10.381 1.00 0.41 C ATOM 1554 C ASP B 637 -2.340 -0.463 -9.689 1.00 0.37 C ATOM 1555 O ASP B 637 -2.335 -1.675 -9.896 1.00 0.40 O ATOM 1556 CB ASP B 637 -2.668 1.291 -11.449 1.00 0.49 C ATOM 1557 CG ASP B 637 -1.803 0.477 -12.393 1.00 1.37 C ATOM 1558 OD1 ASP B 637 -2.365 -0.270 -13.223 1.00 1.43 O ATOM 1559 OD2 ASP B 637 -0.561 0.566 -12.294 1.00 2.30 O ATOM 0 H ASP B 637 -3.940 2.297 -9.623 1.00 0.36 H new ATOM 0 HA ASP B 637 -4.102 -0.207 -10.852 1.00 0.41 H new ATOM 0 HB2 ASP B 637 -3.425 1.822 -12.026 1.00 0.49 H new ATOM 0 HB3 ASP B 637 -2.052 2.046 -10.960 1.00 0.49 H new ATOM 1564 N LEU B 638 -1.520 0.124 -8.827 1.00 0.32 N ATOM 1565 CA LEU B 638 -0.432 -0.610 -8.198 1.00 0.31 C ATOM 1566 C LEU B 638 -0.961 -1.668 -7.235 1.00 0.32 C ATOM 1567 O LEU B 638 -0.321 -2.696 -7.013 1.00 0.38 O ATOM 1568 CB LEU B 638 0.508 0.331 -7.459 1.00 0.29 C ATOM 1569 CG LEU B 638 1.713 -0.365 -6.819 1.00 0.31 C ATOM 1570 CD1 LEU B 638 2.541 -1.097 -7.861 1.00 0.35 C ATOM 1571 CD2 LEU B 638 2.573 0.626 -6.076 1.00 0.33 C ATOM 0 H LEU B 638 -1.588 1.103 -8.549 1.00 0.32 H new ATOM 0 HA LEU B 638 0.122 -1.109 -8.994 1.00 0.31 H new ATOM 0 HB2 LEU B 638 0.867 1.089 -8.155 1.00 0.29 H new ATOM 0 HB3 LEU B 638 -0.052 0.851 -6.682 1.00 0.29 H new ATOM 0 HG LEU B 638 1.331 -1.097 -6.108 1.00 0.31 H new ATOM 0 HD11 LEU B 638 3.389 -1.581 -7.377 1.00 0.35 H new ATOM 0 HD12 LEU B 638 1.925 -1.850 -8.352 1.00 0.35 H new ATOM 0 HD13 LEU B 638 2.904 -0.386 -8.603 1.00 0.35 H new ATOM 0 HD21 LEU B 638 3.422 0.108 -5.630 1.00 0.33 H new ATOM 0 HD22 LEU B 638 2.934 1.386 -6.769 1.00 0.33 H new ATOM 0 HD23 LEU B 638 1.985 1.101 -5.291 1.00 0.33 H new ATOM 1583 N LEU B 639 -2.128 -1.415 -6.657 1.00 0.29 N ATOM 1584 CA LEU B 639 -2.731 -2.371 -5.738 1.00 0.30 C ATOM 1585 C LEU B 639 -3.160 -3.617 -6.488 1.00 0.33 C ATOM 1586 O LEU B 639 -3.028 -4.733 -5.994 1.00 0.33 O ATOM 1587 CB LEU B 639 -3.957 -1.783 -5.030 1.00 0.30 C ATOM 1588 CG LEU B 639 -3.735 -0.463 -4.303 1.00 0.28 C ATOM 1589 CD1 LEU B 639 -5.008 -0.037 -3.593 1.00 0.31 C ATOM 1590 CD2 LEU B 639 -2.585 -0.584 -3.320 1.00 0.31 C ATOM 0 H LEU B 639 -2.671 -0.565 -6.806 1.00 0.29 H new ATOM 0 HA LEU B 639 -1.977 -2.617 -4.990 1.00 0.30 H new ATOM 0 HB2 LEU B 639 -4.746 -1.641 -5.769 1.00 0.30 H new ATOM 0 HB3 LEU B 639 -4.323 -2.515 -4.310 1.00 0.30 H new ATOM 0 HG LEU B 639 -3.475 0.301 -5.035 1.00 0.28 H new ATOM 0 HD11 LEU B 639 -4.838 0.908 -3.077 1.00 0.31 H new ATOM 0 HD12 LEU B 639 -5.808 0.087 -4.323 1.00 0.31 H new ATOM 0 HD13 LEU B 639 -5.293 -0.800 -2.869 1.00 0.31 H new ATOM 0 HD21 LEU B 639 -2.441 0.368 -2.810 1.00 0.31 H new ATOM 0 HD22 LEU B 639 -2.813 -1.358 -2.587 1.00 0.31 H new ATOM 0 HD23 LEU B 639 -1.674 -0.850 -3.857 1.00 0.31 H new ATOM 1602 N SER B 640 -3.685 -3.410 -7.686 1.00 0.38 N ATOM 1603 CA SER B 640 -4.268 -4.493 -8.455 1.00 0.44 C ATOM 1604 C SER B 640 -3.251 -5.238 -9.318 1.00 0.50 C ATOM 1605 O SER B 640 -3.524 -6.357 -9.746 1.00 0.57 O ATOM 1606 CB SER B 640 -5.392 -3.944 -9.318 1.00 0.53 C ATOM 1607 OG SER B 640 -6.114 -4.983 -9.953 1.00 1.17 O ATOM 0 H SER B 640 -3.718 -2.500 -8.145 1.00 0.38 H new ATOM 0 HA SER B 640 -4.655 -5.224 -7.745 1.00 0.44 H new ATOM 0 HB2 SER B 640 -6.069 -3.353 -8.702 1.00 0.53 H new ATOM 0 HB3 SER B 640 -4.979 -3.273 -10.072 1.00 0.53 H new ATOM 0 HG SER B 640 -5.554 -5.785 -10.007 1.00 1.17 H new ATOM 1613 N VAL B 641 -2.102 -4.625 -9.598 1.00 0.52 N ATOM 1614 CA VAL B 641 -1.076 -5.294 -10.404 1.00 0.57 C ATOM 1615 C VAL B 641 -0.429 -6.446 -9.640 1.00 0.60 C ATOM 1616 O VAL B 641 0.231 -7.301 -10.232 1.00 0.68 O ATOM 1617 CB VAL B 641 0.023 -4.321 -10.890 1.00 0.55 C ATOM 1618 CG1 VAL B 641 -0.562 -3.284 -11.834 1.00 0.57 C ATOM 1619 CG2 VAL B 641 0.720 -3.652 -9.715 1.00 0.49 C ATOM 0 H VAL B 641 -1.858 -3.685 -9.287 1.00 0.52 H new ATOM 0 HA VAL B 641 -1.593 -5.687 -11.279 1.00 0.57 H new ATOM 0 HB VAL B 641 0.770 -4.898 -11.435 1.00 0.55 H new ATOM 0 HG11 VAL B 641 0.226 -2.608 -12.166 1.00 0.57 H new ATOM 0 HG12 VAL B 641 -0.999 -3.784 -12.698 1.00 0.57 H new ATOM 0 HG13 VAL B 641 -1.334 -2.715 -11.316 1.00 0.57 H new ATOM 0 HG21 VAL B 641 1.488 -2.973 -10.086 1.00 0.49 H new ATOM 0 HG22 VAL B 641 -0.009 -3.091 -9.131 1.00 0.49 H new ATOM 0 HG23 VAL B 641 1.181 -4.412 -9.085 1.00 0.49 H new ATOM 1629 N ILE B 642 -0.628 -6.471 -8.329 1.00 0.57 N ATOM 1630 CA ILE B 642 -0.113 -7.552 -7.505 1.00 0.62 C ATOM 1631 C ILE B 642 -1.243 -8.445 -6.998 1.00 0.72 C ATOM 1632 O ILE B 642 -2.420 -8.089 -7.111 1.00 0.74 O ATOM 1633 CB ILE B 642 0.725 -7.031 -6.317 1.00 0.53 C ATOM 1634 CG1 ILE B 642 -0.004 -5.904 -5.589 1.00 0.49 C ATOM 1635 CG2 ILE B 642 2.096 -6.568 -6.797 1.00 0.53 C ATOM 1636 CD1 ILE B 642 0.779 -5.336 -4.428 1.00 0.55 C ATOM 0 H ILE B 642 -1.142 -5.755 -7.815 1.00 0.57 H new ATOM 0 HA ILE B 642 0.545 -8.143 -8.142 1.00 0.62 H new ATOM 0 HB ILE B 642 0.865 -7.850 -5.611 1.00 0.53 H new ATOM 0 HG12 ILE B 642 -0.221 -5.104 -6.297 1.00 0.49 H new ATOM 0 HG13 ILE B 642 -0.962 -6.276 -5.225 1.00 0.49 H new ATOM 0 HG21 ILE B 642 2.675 -6.204 -5.948 1.00 0.53 H new ATOM 0 HG22 ILE B 642 2.620 -7.403 -7.262 1.00 0.53 H new ATOM 0 HG23 ILE B 642 1.975 -5.766 -7.525 1.00 0.53 H new ATOM 0 HD11 ILE B 642 0.203 -4.540 -3.956 1.00 0.55 H new ATOM 0 HD12 ILE B 642 0.974 -6.124 -3.700 1.00 0.55 H new ATOM 0 HD13 ILE B 642 1.725 -4.934 -4.789 1.00 0.55 H new ATOM 1648 N PRO B 643 -0.897 -9.638 -6.480 1.00 0.82 N ATOM 1649 CA PRO B 643 -1.872 -10.622 -5.995 1.00 0.95 C ATOM 1650 C PRO B 643 -2.887 -10.078 -4.987 1.00 0.90 C ATOM 1651 O PRO B 643 -2.725 -9.006 -4.405 1.00 0.81 O ATOM 1652 CB PRO B 643 -1.018 -11.704 -5.325 1.00 1.03 C ATOM 1653 CG PRO B 643 0.386 -11.208 -5.329 1.00 1.05 C ATOM 1654 CD PRO B 643 0.476 -10.147 -6.382 1.00 0.83 C ATOM 0 HA PRO B 643 -2.481 -10.971 -6.829 1.00 0.95 H new ATOM 0 HB2 PRO B 643 -1.359 -11.890 -4.307 1.00 1.03 H new ATOM 0 HB3 PRO B 643 -1.096 -12.648 -5.865 1.00 1.03 H new ATOM 0 HG2 PRO B 643 0.655 -10.805 -4.353 1.00 1.05 H new ATOM 0 HG3 PRO B 643 1.081 -12.021 -5.541 1.00 1.05 H new ATOM 0 HD2 PRO B 643 1.176 -9.360 -6.099 1.00 0.83 H new ATOM 0 HD3 PRO B 643 0.821 -10.554 -7.332 1.00 0.83 H new ATOM 1662 N LYS B 644 -3.938 -10.867 -4.791 1.00 1.06 N ATOM 1663 CA LYS B 644 -5.029 -10.524 -3.890 1.00 1.10 C ATOM 1664 C LYS B 644 -4.576 -10.570 -2.431 1.00 1.06 C ATOM 1665 O LYS B 644 -3.808 -11.449 -2.039 1.00 1.07 O ATOM 1666 CB LYS B 644 -6.193 -11.490 -4.105 1.00 1.25 C ATOM 1667 CG LYS B 644 -6.701 -11.512 -5.536 1.00 1.29 C ATOM 1668 CD LYS B 644 -7.998 -12.286 -5.656 1.00 1.65 C ATOM 1669 CE LYS B 644 -8.466 -12.372 -7.100 1.00 1.87 C ATOM 1670 NZ LYS B 644 -8.686 -11.031 -7.715 1.00 2.25 N ATOM 0 H LYS B 644 -4.056 -11.767 -5.256 1.00 1.06 H new ATOM 0 HA LYS B 644 -5.351 -9.506 -4.111 1.00 1.10 H new ATOM 0 HB2 LYS B 644 -5.878 -12.495 -3.823 1.00 1.25 H new ATOM 0 HB3 LYS B 644 -7.012 -11.214 -3.441 1.00 1.25 H new ATOM 0 HG2 LYS B 644 -6.853 -10.490 -5.884 1.00 1.29 H new ATOM 0 HG3 LYS B 644 -5.948 -11.961 -6.183 1.00 1.29 H new ATOM 0 HD2 LYS B 644 -7.861 -13.291 -5.257 1.00 1.65 H new ATOM 0 HD3 LYS B 644 -8.767 -11.805 -5.052 1.00 1.65 H new ATOM 0 HE2 LYS B 644 -7.727 -12.919 -7.685 1.00 1.87 H new ATOM 0 HE3 LYS B 644 -9.393 -12.944 -7.144 1.00 1.87 H new ATOM 0 HZ1 LYS B 644 -9.386 -11.111 -8.480 1.00 2.25 H new ATOM 0 HZ2 LYS B 644 -9.037 -10.371 -6.992 1.00 2.25 H new ATOM 0 HZ3 LYS B 644 -7.789 -10.675 -8.102 1.00 2.25 H new ATOM 1684 N ARG B 645 -5.094 -9.626 -1.636 1.00 1.06 N ATOM 1685 CA ARG B 645 -4.664 -9.407 -0.248 1.00 1.06 C ATOM 1686 C ARG B 645 -4.736 -10.658 0.631 1.00 1.05 C ATOM 1687 O ARG B 645 -4.104 -10.705 1.682 1.00 1.08 O ATOM 1688 CB ARG B 645 -5.484 -8.266 0.386 1.00 1.16 C ATOM 1689 CG ARG B 645 -6.989 -8.508 0.461 1.00 1.55 C ATOM 1690 CD ARG B 645 -7.388 -9.346 1.673 1.00 1.72 C ATOM 1691 NE ARG B 645 -7.069 -8.687 2.949 1.00 2.35 N ATOM 1692 CZ ARG B 645 -7.498 -9.118 4.147 1.00 2.89 C ATOM 1693 NH1 ARG B 645 -8.261 -10.200 4.242 1.00 2.92 N ATOM 1694 NH2 ARG B 645 -7.158 -8.464 5.253 1.00 3.87 N ATOM 0 H ARG B 645 -5.829 -8.987 -1.939 1.00 1.06 H new ATOM 0 HA ARG B 645 -3.610 -9.134 -0.298 1.00 1.06 H new ATOM 0 HB2 ARG B 645 -5.110 -8.089 1.395 1.00 1.16 H new ATOM 0 HB3 ARG B 645 -5.307 -7.354 -0.184 1.00 1.16 H new ATOM 0 HG2 ARG B 645 -7.506 -7.549 0.500 1.00 1.55 H new ATOM 0 HG3 ARG B 645 -7.318 -9.011 -0.448 1.00 1.55 H new ATOM 0 HD2 ARG B 645 -8.458 -9.550 1.632 1.00 1.72 H new ATOM 0 HD3 ARG B 645 -6.878 -10.308 1.628 1.00 1.72 H new ATOM 0 HE ARG B 645 -6.486 -7.851 2.923 1.00 2.35 H new ATOM 0 HH11 ARG B 645 -8.527 -10.712 3.401 1.00 2.92 H new ATOM 0 HH12 ARG B 645 -8.582 -10.519 5.156 1.00 2.92 H new ATOM 0 HH21 ARG B 645 -6.570 -7.633 5.194 1.00 3.87 H new ATOM 0 HH22 ARG B 645 -7.485 -8.793 6.161 1.00 3.87 H new ATOM 1708 N GLN B 646 -5.504 -11.658 0.217 1.00 1.11 N ATOM 1709 CA GLN B 646 -5.657 -12.871 1.012 1.00 1.17 C ATOM 1710 C GLN B 646 -4.432 -13.772 0.862 1.00 1.20 C ATOM 1711 O GLN B 646 -4.061 -14.492 1.785 1.00 1.26 O ATOM 1712 CB GLN B 646 -6.932 -13.617 0.603 1.00 1.26 C ATOM 1713 CG GLN B 646 -6.920 -14.106 -0.837 1.00 1.46 C ATOM 1714 CD GLN B 646 -8.272 -14.609 -1.299 1.00 1.99 C ATOM 1715 OE1 GLN B 646 -9.072 -13.853 -1.844 1.00 2.61 O ATOM 1716 NE2 GLN B 646 -8.535 -15.888 -1.081 1.00 2.10 N ATOM 0 H GLN B 646 -6.028 -11.654 -0.658 1.00 1.11 H new ATOM 0 HA GLN B 646 -5.743 -12.589 2.061 1.00 1.17 H new ATOM 0 HB2 GLN B 646 -7.071 -14.471 1.266 1.00 1.26 H new ATOM 0 HB3 GLN B 646 -7.789 -12.959 0.747 1.00 1.26 H new ATOM 0 HG2 GLN B 646 -6.598 -13.294 -1.489 1.00 1.46 H new ATOM 0 HG3 GLN B 646 -6.186 -14.906 -0.938 1.00 1.46 H new ATOM 0 HE21 GLN B 646 -7.841 -16.481 -0.625 1.00 2.10 H new ATOM 0 HE22 GLN B 646 -9.431 -16.281 -1.369 1.00 2.10 H new ATOM 1725 N TYR B 647 -3.806 -13.717 -0.307 1.00 1.25 N ATOM 1726 CA TYR B 647 -2.624 -14.530 -0.589 1.00 1.33 C ATOM 1727 C TYR B 647 -1.352 -13.917 -0.007 1.00 1.38 C ATOM 1728 O TYR B 647 -0.246 -14.294 -0.393 1.00 1.55 O ATOM 1729 CB TYR B 647 -2.451 -14.720 -2.096 1.00 1.39 C ATOM 1730 CG TYR B 647 -3.636 -15.373 -2.769 1.00 1.46 C ATOM 1731 CD1 TYR B 647 -4.029 -16.665 -2.435 1.00 1.56 C ATOM 1732 CD2 TYR B 647 -4.363 -14.695 -3.737 1.00 1.52 C ATOM 1733 CE1 TYR B 647 -5.114 -17.261 -3.050 1.00 1.70 C ATOM 1734 CE2 TYR B 647 -5.448 -15.282 -4.356 1.00 1.64 C ATOM 1735 CZ TYR B 647 -5.820 -16.564 -4.008 1.00 1.74 C ATOM 1736 OH TYR B 647 -6.906 -17.149 -4.621 1.00 1.90 O ATOM 0 H TYR B 647 -4.096 -13.117 -1.079 1.00 1.25 H new ATOM 0 HA TYR B 647 -2.784 -15.497 -0.111 1.00 1.33 H new ATOM 0 HB2 TYR B 647 -2.273 -13.748 -2.557 1.00 1.39 H new ATOM 0 HB3 TYR B 647 -1.563 -15.326 -2.277 1.00 1.39 H new ATOM 0 HD1 TYR B 647 -3.478 -17.211 -1.684 1.00 1.56 H new ATOM 0 HD2 TYR B 647 -4.075 -13.691 -4.011 1.00 1.52 H new ATOM 0 HE1 TYR B 647 -5.407 -18.265 -2.782 1.00 1.70 H new ATOM 0 HE2 TYR B 647 -6.003 -14.741 -5.108 1.00 1.64 H new ATOM 0 HH TYR B 647 -7.292 -16.524 -5.270 1.00 1.90 H new ATOM 1808 N LEU B 652 4.438 -9.240 7.073 1.00 1.24 N ATOM 1809 CA LEU B 652 3.344 -8.304 7.370 1.00 0.65 C ATOM 1810 C LEU B 652 3.815 -7.122 8.227 1.00 0.61 C ATOM 1811 O LEU B 652 4.329 -7.296 9.332 1.00 1.04 O ATOM 1812 CB LEU B 652 2.174 -9.036 8.040 1.00 1.15 C ATOM 1813 CG LEU B 652 1.554 -10.159 7.199 1.00 1.20 C ATOM 1814 CD1 LEU B 652 0.496 -10.903 7.997 1.00 2.09 C ATOM 1815 CD2 LEU B 652 0.951 -9.606 5.911 1.00 1.12 C ATOM 0 HA LEU B 652 2.999 -7.893 6.421 1.00 0.65 H new ATOM 0 HB2 LEU B 652 2.519 -9.456 8.985 1.00 1.15 H new ATOM 0 HB3 LEU B 652 1.398 -8.309 8.279 1.00 1.15 H new ATOM 0 HG LEU B 652 2.348 -10.858 6.934 1.00 1.20 H new ATOM 0 HD11 LEU B 652 0.068 -11.696 7.383 1.00 2.09 H new ATOM 0 HD12 LEU B 652 0.951 -11.338 8.887 1.00 2.09 H new ATOM 0 HD13 LEU B 652 -0.291 -10.209 8.294 1.00 2.09 H new ATOM 0 HD21 LEU B 652 0.518 -10.422 5.332 1.00 1.12 H new ATOM 0 HD22 LEU B 652 0.174 -8.882 6.155 1.00 1.12 H new ATOM 0 HD23 LEU B 652 1.730 -9.119 5.324 1.00 1.12 H new ATOM 1827 N LEU B 653 3.647 -5.914 7.695 1.00 0.41 N ATOM 1828 CA LEU B 653 4.038 -4.697 8.406 1.00 0.31 C ATOM 1829 C LEU B 653 2.805 -4.004 8.974 1.00 0.30 C ATOM 1830 O LEU B 653 1.847 -3.745 8.241 1.00 0.56 O ATOM 1831 CB LEU B 653 4.747 -3.710 7.468 1.00 0.32 C ATOM 1832 CG LEU B 653 5.955 -4.237 6.688 1.00 0.37 C ATOM 1833 CD1 LEU B 653 6.482 -3.146 5.769 1.00 0.44 C ATOM 1834 CD2 LEU B 653 7.057 -4.713 7.620 1.00 0.36 C ATOM 0 H LEU B 653 3.242 -5.750 6.773 1.00 0.41 H new ATOM 0 HA LEU B 653 4.717 -4.990 9.207 1.00 0.31 H new ATOM 0 HB2 LEU B 653 4.015 -3.340 6.750 1.00 0.32 H new ATOM 0 HB3 LEU B 653 5.073 -2.855 8.060 1.00 0.32 H new ATOM 0 HG LEU B 653 5.632 -5.093 6.095 1.00 0.37 H new ATOM 0 HD11 LEU B 653 7.342 -3.522 5.214 1.00 0.44 H new ATOM 0 HD12 LEU B 653 5.700 -2.850 5.070 1.00 0.44 H new ATOM 0 HD13 LEU B 653 6.783 -2.283 6.364 1.00 0.44 H new ATOM 0 HD21 LEU B 653 7.898 -5.080 7.032 1.00 0.36 H new ATOM 0 HD22 LEU B 653 7.387 -3.884 8.247 1.00 0.36 H new ATOM 0 HD23 LEU B 653 6.678 -5.517 8.251 1.00 0.36 H new ATOM 1846 N ASP B 654 2.820 -3.726 10.273 1.00 0.31 N ATOM 1847 CA ASP B 654 1.766 -2.927 10.903 1.00 0.28 C ATOM 1848 C ASP B 654 1.607 -1.582 10.203 1.00 0.23 C ATOM 1849 O ASP B 654 2.538 -0.770 10.128 1.00 0.29 O ATOM 1850 CB ASP B 654 2.064 -2.704 12.387 1.00 0.38 C ATOM 1851 CG ASP B 654 1.020 -1.845 13.084 1.00 1.10 C ATOM 1852 OD1 ASP B 654 1.002 -0.622 12.851 1.00 1.84 O ATOM 1853 OD2 ASP B 654 0.199 -2.396 13.849 1.00 1.46 O ATOM 0 H ASP B 654 3.549 -4.040 10.913 1.00 0.31 H new ATOM 0 HA ASP B 654 0.833 -3.483 10.810 1.00 0.28 H new ATOM 0 HB2 ASP B 654 2.124 -3.670 12.888 1.00 0.38 H new ATOM 0 HB3 ASP B 654 3.041 -2.231 12.488 1.00 0.38 H new ATOM 1858 N ALA B 655 0.412 -1.383 9.672 1.00 0.22 N ATOM 1859 CA ALA B 655 0.038 -0.190 8.935 1.00 0.24 C ATOM 1860 C ALA B 655 0.201 1.091 9.732 1.00 0.22 C ATOM 1861 O ALA B 655 0.658 2.105 9.204 1.00 0.28 O ATOM 1862 CB ALA B 655 -1.403 -0.319 8.550 1.00 0.30 C ATOM 0 H ALA B 655 -0.343 -2.065 9.744 1.00 0.22 H new ATOM 0 HA ALA B 655 0.702 -0.119 8.073 1.00 0.24 H new ATOM 0 HB1 ALA B 655 -1.712 0.566 7.994 1.00 0.30 H new ATOM 0 HB2 ALA B 655 -1.535 -1.204 7.927 1.00 0.30 H new ATOM 0 HB3 ALA B 655 -2.013 -0.413 9.449 1.00 0.30 H new ATOM 1868 N GLN B 656 -0.199 1.045 10.994 1.00 0.20 N ATOM 1869 CA GLN B 656 -0.220 2.235 11.824 1.00 0.22 C ATOM 1870 C GLN B 656 1.197 2.719 12.009 1.00 0.23 C ATOM 1871 O GLN B 656 1.471 3.917 12.004 1.00 0.31 O ATOM 1872 CB GLN B 656 -0.871 1.942 13.172 1.00 0.25 C ATOM 1873 CG GLN B 656 -2.317 1.501 13.056 1.00 0.35 C ATOM 1874 CD GLN B 656 -3.269 2.648 12.780 1.00 0.89 C ATOM 1875 OE1 GLN B 656 -3.007 3.792 13.151 1.00 1.67 O ATOM 1876 NE2 GLN B 656 -4.400 2.340 12.156 1.00 1.66 N ATOM 0 H GLN B 656 -0.513 0.196 11.463 1.00 0.20 H new ATOM 0 HA GLN B 656 -0.811 3.011 11.337 1.00 0.22 H new ATOM 0 HB2 GLN B 656 -0.301 1.165 13.682 1.00 0.25 H new ATOM 0 HB3 GLN B 656 -0.820 2.835 13.794 1.00 0.25 H new ATOM 0 HG2 GLN B 656 -2.403 0.765 12.257 1.00 0.35 H new ATOM 0 HG3 GLN B 656 -2.614 1.004 13.980 1.00 0.35 H new ATOM 0 HE21 GLN B 656 -4.577 1.378 11.866 1.00 1.66 H new ATOM 0 HE22 GLN B 656 -5.092 3.065 11.967 1.00 1.66 H new ATOM 1885 N LYS B 657 2.103 1.769 12.135 1.00 0.21 N ATOM 1886 CA LYS B 657 3.510 2.085 12.205 1.00 0.26 C ATOM 1887 C LYS B 657 3.959 2.699 10.894 1.00 0.23 C ATOM 1888 O LYS B 657 4.515 3.788 10.876 1.00 0.26 O ATOM 1889 CB LYS B 657 4.338 0.834 12.503 1.00 0.36 C ATOM 1890 CG LYS B 657 3.886 0.085 13.744 1.00 0.44 C ATOM 1891 CD LYS B 657 3.594 1.031 14.893 1.00 0.79 C ATOM 1892 CE LYS B 657 4.813 1.874 15.245 1.00 1.31 C ATOM 1893 NZ LYS B 657 5.952 1.053 15.740 1.00 1.90 N ATOM 0 H LYS B 657 1.887 0.774 12.191 1.00 0.21 H new ATOM 0 HA LYS B 657 3.664 2.797 13.015 1.00 0.26 H new ATOM 0 HB2 LYS B 657 4.288 0.163 11.646 1.00 0.36 H new ATOM 0 HB3 LYS B 657 5.383 1.120 12.623 1.00 0.36 H new ATOM 0 HG2 LYS B 657 2.992 -0.495 13.514 1.00 0.44 H new ATOM 0 HG3 LYS B 657 4.658 -0.624 14.043 1.00 0.44 H new ATOM 0 HD2 LYS B 657 2.763 1.684 14.626 1.00 0.79 H new ATOM 0 HD3 LYS B 657 3.281 0.459 15.766 1.00 0.79 H new ATOM 0 HE2 LYS B 657 5.129 2.435 14.365 1.00 1.31 H new ATOM 0 HE3 LYS B 657 4.538 2.604 16.006 1.00 1.31 H new ATOM 0 HZ1 LYS B 657 6.724 1.679 16.045 1.00 1.90 H new ATOM 0 HZ2 LYS B 657 5.638 0.473 16.544 1.00 1.90 H new ATOM 0 HZ3 LYS B 657 6.290 0.432 14.977 1.00 1.90 H new ATOM 1907 N LEU B 658 3.680 1.992 9.810 1.00 0.25 N ATOM 1908 CA LEU B 658 4.080 2.423 8.472 1.00 0.24 C ATOM 1909 C LEU B 658 3.587 3.829 8.140 1.00 0.23 C ATOM 1910 O LEU B 658 4.310 4.611 7.532 1.00 0.24 O ATOM 1911 CB LEU B 658 3.585 1.421 7.426 1.00 0.25 C ATOM 1912 CG LEU B 658 3.906 1.785 5.977 1.00 0.25 C ATOM 1913 CD1 LEU B 658 5.401 2.002 5.801 1.00 0.27 C ATOM 1914 CD2 LEU B 658 3.419 0.695 5.038 1.00 0.27 C ATOM 0 H LEU B 658 3.173 1.107 9.828 1.00 0.25 H new ATOM 0 HA LEU B 658 5.169 2.457 8.455 1.00 0.24 H new ATOM 0 HB2 LEU B 658 4.021 0.446 7.645 1.00 0.25 H new ATOM 0 HB3 LEU B 658 2.505 1.317 7.528 1.00 0.25 H new ATOM 0 HG LEU B 658 3.390 2.713 5.732 1.00 0.25 H new ATOM 0 HD11 LEU B 658 5.611 2.260 4.763 1.00 0.27 H new ATOM 0 HD12 LEU B 658 5.730 2.813 6.451 1.00 0.27 H new ATOM 0 HD13 LEU B 658 5.935 1.088 6.063 1.00 0.27 H new ATOM 0 HD21 LEU B 658 3.655 0.969 4.010 1.00 0.27 H new ATOM 0 HD22 LEU B 658 3.912 -0.245 5.285 1.00 0.27 H new ATOM 0 HD23 LEU B 658 2.340 0.578 5.144 1.00 0.27 H new ATOM 1926 N VAL B 659 2.378 4.165 8.554 1.00 0.24 N ATOM 1927 CA VAL B 659 1.821 5.477 8.243 1.00 0.24 C ATOM 1928 C VAL B 659 2.472 6.566 9.085 1.00 0.24 C ATOM 1929 O VAL B 659 2.880 7.598 8.561 1.00 0.27 O ATOM 1930 CB VAL B 659 0.292 5.513 8.419 1.00 0.25 C ATOM 1931 CG1 VAL B 659 -0.231 6.937 8.328 1.00 0.30 C ATOM 1932 CG2 VAL B 659 -0.362 4.643 7.365 1.00 0.28 C ATOM 0 H VAL B 659 1.766 3.558 9.100 1.00 0.24 H new ATOM 0 HA VAL B 659 2.040 5.669 7.193 1.00 0.24 H new ATOM 0 HB VAL B 659 0.045 5.127 9.408 1.00 0.25 H new ATOM 0 HG11 VAL B 659 -1.314 6.936 8.455 1.00 0.30 H new ATOM 0 HG12 VAL B 659 0.226 7.543 9.110 1.00 0.30 H new ATOM 0 HG13 VAL B 659 0.019 7.355 7.353 1.00 0.30 H new ATOM 0 HG21 VAL B 659 -1.444 4.670 7.491 1.00 0.28 H new ATOM 0 HG22 VAL B 659 -0.103 5.015 6.374 1.00 0.28 H new ATOM 0 HG23 VAL B 659 -0.010 3.617 7.470 1.00 0.28 H new ATOM 1942 N ASN B 660 2.589 6.329 10.384 1.00 0.25 N ATOM 1943 CA ASN B 660 3.269 7.274 11.264 1.00 0.28 C ATOM 1944 C ASN B 660 4.730 7.410 10.847 1.00 0.26 C ATOM 1945 O ASN B 660 5.334 8.472 10.967 1.00 0.30 O ATOM 1946 CB ASN B 660 3.170 6.824 12.723 1.00 0.37 C ATOM 1947 CG ASN B 660 1.801 7.084 13.335 1.00 0.80 C ATOM 1948 OD1 ASN B 660 1.543 8.162 13.866 1.00 1.64 O ATOM 1949 ND2 ASN B 660 0.921 6.095 13.284 1.00 0.51 N ATOM 0 H ASN B 660 2.226 5.498 10.851 1.00 0.25 H new ATOM 0 HA ASN B 660 2.782 8.245 11.176 1.00 0.28 H new ATOM 0 HB2 ASN B 660 3.393 5.759 12.785 1.00 0.37 H new ATOM 0 HB3 ASN B 660 3.928 7.343 13.310 1.00 0.37 H new ATOM 0 HD21 ASN B 660 -0.005 6.215 13.694 1.00 0.51 H new ATOM 0 HD22 ASN B 660 1.170 5.214 12.835 1.00 0.51 H new ATOM 1956 N PHE B 661 5.271 6.319 10.337 1.00 0.24 N ATOM 1957 CA PHE B 661 6.633 6.274 9.839 1.00 0.26 C ATOM 1958 C PHE B 661 6.756 7.096 8.554 1.00 0.27 C ATOM 1959 O PHE B 661 7.666 7.898 8.401 1.00 0.30 O ATOM 1960 CB PHE B 661 7.003 4.805 9.595 1.00 0.29 C ATOM 1961 CG PHE B 661 8.403 4.562 9.123 1.00 0.30 C ATOM 1962 CD1 PHE B 661 9.467 4.686 9.997 1.00 0.37 C ATOM 1963 CD2 PHE B 661 8.655 4.227 7.804 1.00 0.30 C ATOM 1964 CE1 PHE B 661 10.762 4.476 9.565 1.00 0.41 C ATOM 1965 CE2 PHE B 661 9.947 4.016 7.365 1.00 0.34 C ATOM 1966 CZ PHE B 661 10.992 4.085 8.247 1.00 0.37 C ATOM 0 H PHE B 661 4.773 5.432 10.256 1.00 0.24 H new ATOM 0 HA PHE B 661 7.319 6.707 10.567 1.00 0.26 H new ATOM 0 HB2 PHE B 661 6.849 4.251 10.521 1.00 0.29 H new ATOM 0 HB3 PHE B 661 6.313 4.392 8.859 1.00 0.29 H new ATOM 0 HD1 PHE B 661 9.284 4.950 11.028 1.00 0.37 H new ATOM 0 HD2 PHE B 661 7.833 4.130 7.111 1.00 0.30 H new ATOM 0 HE1 PHE B 661 11.591 4.614 10.244 1.00 0.41 H new ATOM 0 HE2 PHE B 661 10.134 3.796 6.324 1.00 0.34 H new ATOM 0 HZ PHE B 661 11.992 3.837 7.922 1.00 0.37 H new ATOM 1976 N LEU B 662 5.803 6.909 7.661 1.00 0.27 N ATOM 1977 CA LEU B 662 5.819 7.567 6.359 1.00 0.28 C ATOM 1978 C LEU B 662 5.527 9.055 6.500 1.00 0.27 C ATOM 1979 O LEU B 662 6.125 9.888 5.827 1.00 0.29 O ATOM 1980 CB LEU B 662 4.795 6.918 5.427 1.00 0.29 C ATOM 1981 CG LEU B 662 4.768 7.464 3.999 1.00 0.31 C ATOM 1982 CD1 LEU B 662 6.101 7.219 3.307 1.00 0.38 C ATOM 1983 CD2 LEU B 662 3.631 6.828 3.217 1.00 0.31 C ATOM 0 H LEU B 662 4.998 6.301 7.812 1.00 0.27 H new ATOM 0 HA LEU B 662 6.814 7.451 5.930 1.00 0.28 H new ATOM 0 HB2 LEU B 662 4.995 5.847 5.385 1.00 0.29 H new ATOM 0 HB3 LEU B 662 3.804 7.040 5.863 1.00 0.29 H new ATOM 0 HG LEU B 662 4.601 8.540 4.040 1.00 0.31 H new ATOM 0 HD11 LEU B 662 6.062 7.614 2.292 1.00 0.38 H new ATOM 0 HD12 LEU B 662 6.896 7.719 3.861 1.00 0.38 H new ATOM 0 HD13 LEU B 662 6.301 6.148 3.272 1.00 0.38 H new ATOM 0 HD21 LEU B 662 3.621 7.224 2.202 1.00 0.31 H new ATOM 0 HD22 LEU B 662 3.772 5.748 3.184 1.00 0.31 H new ATOM 0 HD23 LEU B 662 2.683 7.055 3.704 1.00 0.31 H new ATOM 1995 N ASN B 663 4.614 9.364 7.396 1.00 0.29 N ATOM 1996 CA ASN B 663 4.145 10.720 7.603 1.00 0.36 C ATOM 1997 C ASN B 663 5.112 11.536 8.470 1.00 0.37 C ATOM 1998 O ASN B 663 5.438 12.673 8.140 1.00 0.43 O ATOM 1999 CB ASN B 663 2.748 10.636 8.225 1.00 0.56 C ATOM 2000 CG ASN B 663 2.203 11.942 8.767 1.00 1.05 C ATOM 2001 OD1 ASN B 663 2.583 13.031 8.348 1.00 1.93 O ATOM 2002 ND2 ASN B 663 1.260 11.824 9.681 1.00 1.07 N ATOM 0 H ASN B 663 4.172 8.677 8.007 1.00 0.29 H new ATOM 0 HA ASN B 663 4.097 11.247 6.650 1.00 0.36 H new ATOM 0 HB2 ASN B 663 2.056 10.256 7.474 1.00 0.56 H new ATOM 0 HB3 ASN B 663 2.772 9.907 9.035 1.00 0.56 H new ATOM 0 HD21 ASN B 663 0.817 12.658 10.067 1.00 1.07 H new ATOM 0 HD22 ASN B 663 0.974 10.899 10.002 1.00 1.07 H new ATOM 2009 N ASP B 664 5.582 10.960 9.571 1.00 0.38 N ATOM 2010 CA ASP B 664 6.430 11.701 10.509 1.00 0.43 C ATOM 2011 C ASP B 664 7.923 11.483 10.250 1.00 0.43 C ATOM 2012 O ASP B 664 8.735 12.382 10.468 1.00 0.56 O ATOM 2013 CB ASP B 664 6.095 11.308 11.953 1.00 0.50 C ATOM 2014 CG ASP B 664 6.964 12.019 12.975 1.00 0.56 C ATOM 2015 OD1 ASP B 664 6.625 13.155 13.371 1.00 0.62 O ATOM 2016 OD2 ASP B 664 7.986 11.443 13.396 1.00 0.64 O ATOM 0 H ASP B 664 5.395 9.993 9.838 1.00 0.38 H new ATOM 0 HA ASP B 664 6.221 12.760 10.354 1.00 0.43 H new ATOM 0 HB2 ASP B 664 5.048 11.536 12.153 1.00 0.50 H new ATOM 0 HB3 ASP B 664 6.215 10.231 12.068 1.00 0.50 H new ATOM 2021 N GLN B 665 8.289 10.295 9.795 1.00 0.33 N ATOM 2022 CA GLN B 665 9.699 9.919 9.742 1.00 0.34 C ATOM 2023 C GLN B 665 10.278 9.935 8.328 1.00 0.32 C ATOM 2024 O GLN B 665 11.498 9.986 8.164 1.00 0.46 O ATOM 2025 CB GLN B 665 9.889 8.525 10.343 1.00 0.40 C ATOM 2026 CG GLN B 665 9.617 8.448 11.835 1.00 0.53 C ATOM 2027 CD GLN B 665 10.682 9.149 12.656 1.00 1.29 C ATOM 2028 OE1 GLN B 665 11.697 8.551 13.009 1.00 1.58 O ATOM 2029 NE2 GLN B 665 10.446 10.405 12.995 1.00 2.26 N ATOM 0 H GLN B 665 7.642 9.581 9.461 1.00 0.33 H new ATOM 0 HA GLN B 665 10.238 10.669 10.321 1.00 0.34 H new ATOM 0 HB2 GLN B 665 9.229 7.827 9.828 1.00 0.40 H new ATOM 0 HB3 GLN B 665 10.911 8.196 10.154 1.00 0.40 H new ATOM 0 HG2 GLN B 665 8.646 8.895 12.048 1.00 0.53 H new ATOM 0 HG3 GLN B 665 9.559 7.402 12.137 1.00 0.53 H new ATOM 0 HE21 GLN B 665 9.592 10.866 12.682 1.00 2.26 H new ATOM 0 HE22 GLN B 665 11.118 10.913 13.570 1.00 2.26 H new ATOM 2038 N VAL B 666 9.434 9.896 7.310 1.00 0.27 N ATOM 2039 CA VAL B 666 9.920 9.722 5.950 1.00 0.25 C ATOM 2040 C VAL B 666 9.755 10.988 5.106 1.00 0.24 C ATOM 2041 O VAL B 666 8.757 11.701 5.205 1.00 0.27 O ATOM 2042 CB VAL B 666 9.221 8.527 5.247 1.00 0.27 C ATOM 2043 CG1 VAL B 666 9.659 8.410 3.795 1.00 0.33 C ATOM 2044 CG2 VAL B 666 9.512 7.225 5.982 1.00 0.31 C ATOM 0 H VAL B 666 8.421 9.981 7.396 1.00 0.27 H new ATOM 0 HA VAL B 666 10.986 9.510 6.033 1.00 0.25 H new ATOM 0 HB VAL B 666 8.147 8.714 5.269 1.00 0.27 H new ATOM 0 HG11 VAL B 666 9.153 7.564 3.329 1.00 0.33 H new ATOM 0 HG12 VAL B 666 9.401 9.325 3.262 1.00 0.33 H new ATOM 0 HG13 VAL B 666 10.737 8.256 3.751 1.00 0.33 H new ATOM 0 HG21 VAL B 666 9.013 6.400 5.473 1.00 0.31 H new ATOM 0 HG22 VAL B 666 10.587 7.046 5.994 1.00 0.31 H new ATOM 0 HG23 VAL B 666 9.144 7.295 7.006 1.00 0.31 H new ATOM 2054 N GLU B 667 10.771 11.242 4.292 1.00 0.27 N ATOM 2055 CA GLU B 667 10.760 12.299 3.290 1.00 0.34 C ATOM 2056 C GLU B 667 11.125 11.679 1.950 1.00 0.32 C ATOM 2057 O GLU B 667 12.271 11.285 1.741 1.00 0.33 O ATOM 2058 CB GLU B 667 11.757 13.410 3.648 1.00 0.44 C ATOM 2059 CG GLU B 667 11.199 14.469 4.590 1.00 0.60 C ATOM 2060 CD GLU B 667 10.163 15.349 3.916 1.00 1.04 C ATOM 2061 OE1 GLU B 667 10.320 15.642 2.711 1.00 1.26 O ATOM 2062 OE2 GLU B 667 9.194 15.757 4.585 1.00 1.72 O ATOM 0 H GLU B 667 11.641 10.710 4.310 1.00 0.27 H new ATOM 0 HA GLU B 667 9.769 12.751 3.246 1.00 0.34 H new ATOM 0 HB2 GLU B 667 12.637 12.959 4.107 1.00 0.44 H new ATOM 0 HB3 GLU B 667 12.089 13.895 2.730 1.00 0.44 H new ATOM 0 HG2 GLU B 667 10.751 13.982 5.456 1.00 0.60 H new ATOM 0 HG3 GLU B 667 12.015 15.090 4.960 1.00 0.60 H new ATOM 2069 N ILE B 668 10.152 11.556 1.056 1.00 0.34 N ATOM 2070 CA ILE B 668 10.358 10.824 -0.184 1.00 0.35 C ATOM 2071 C ILE B 668 11.267 11.590 -1.138 1.00 0.30 C ATOM 2072 O ILE B 668 11.008 12.749 -1.464 1.00 0.30 O ATOM 2073 CB ILE B 668 9.016 10.533 -0.886 1.00 0.45 C ATOM 2074 CG1 ILE B 668 8.080 9.747 0.037 1.00 0.47 C ATOM 2075 CG2 ILE B 668 9.237 9.772 -2.187 1.00 0.51 C ATOM 2076 CD1 ILE B 668 8.614 8.387 0.435 1.00 0.46 C ATOM 0 H ILE B 668 9.218 11.952 1.166 1.00 0.34 H new ATOM 0 HA ILE B 668 10.837 9.881 0.080 1.00 0.35 H new ATOM 0 HB ILE B 668 8.547 11.488 -1.122 1.00 0.45 H new ATOM 0 HG12 ILE B 668 7.897 10.333 0.938 1.00 0.47 H new ATOM 0 HG13 ILE B 668 7.119 9.618 -0.460 1.00 0.47 H new ATOM 0 HG21 ILE B 668 8.276 9.579 -2.663 1.00 0.51 H new ATOM 0 HG22 ILE B 668 9.860 10.367 -2.855 1.00 0.51 H new ATOM 0 HG23 ILE B 668 9.734 8.825 -1.975 1.00 0.51 H new ATOM 0 HD11 ILE B 668 7.896 7.891 1.088 1.00 0.46 H new ATOM 0 HD12 ILE B 668 8.770 7.782 -0.458 1.00 0.46 H new ATOM 0 HD13 ILE B 668 9.561 8.508 0.962 1.00 0.46 H new ATOM 2088 N PRO B 669 12.371 10.955 -1.559 1.00 0.37 N ATOM 2089 CA PRO B 669 13.258 11.495 -2.586 1.00 0.43 C ATOM 2090 C PRO B 669 12.509 11.922 -3.839 1.00 0.52 C ATOM 2091 O PRO B 669 11.904 11.107 -4.524 1.00 0.71 O ATOM 2092 CB PRO B 669 14.182 10.317 -2.900 1.00 0.46 C ATOM 2093 CG PRO B 669 14.229 9.535 -1.644 1.00 0.79 C ATOM 2094 CD PRO B 669 12.860 9.668 -1.034 1.00 0.54 C ATOM 0 HA PRO B 669 13.776 12.392 -2.246 1.00 0.43 H new ATOM 0 HB2 PRO B 669 13.796 9.719 -3.725 1.00 0.46 H new ATOM 0 HB3 PRO B 669 15.175 10.659 -3.192 1.00 0.46 H new ATOM 0 HG2 PRO B 669 14.471 8.491 -1.841 1.00 0.79 H new ATOM 0 HG3 PRO B 669 14.997 9.918 -0.972 1.00 0.79 H new ATOM 0 HD2 PRO B 669 12.210 8.843 -1.325 1.00 0.54 H new ATOM 0 HD3 PRO B 669 12.905 9.670 0.055 1.00 0.54 H new