USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 691 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 43 ASN : amide:sc= -0.958 K(o=-3.5,f=-5.8) USER MOD Set 1.2: A 58 ASN : amide:sc= -0.0754 K(o=-3.5,f=-18!) USER MOD Set 1.3: A 59 SER OG : rot 87:sc= 0.126 USER MOD Set 1.4: A 82 HIS : no HE2:sc= -2.61 K(o=-3.5,f=-8!) USER MOD Set 2.1: A 32 GLN : amide:sc= 0.591 K(o=1.8,f=0.15) USER MOD Set 2.2: A 55 LYS NZ :NH3+ -160:sc= 1.24 (180deg=0.85) USER MOD Single : A 13 SER OG : rot 180:sc= -0.682 USER MOD Single : A 14 GLN : amide:sc= -0.258 X(o=-0.26,f=-0.58) USER MOD Single : A 15 ASN : amide:sc= -2.46! K(o=-2.5!,f=-1.5) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -120:sc= -0.402 USER MOD Single : A 27 HIS : no HD1:sc= 0.137 K(o=0.41,f=-3.8!) USER MOD Single : A 28 LYS NZ :NH3+ 126:sc= 1.23 (180deg=-0.546) USER MOD Single : A 30 ASN : amide:sc= -2.22! K(o=-2.2!,f=-0.048) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -169:sc=-0.000514 (180deg=-0.0931) USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0794) USER MOD Single : A 41 GLN : amide:sc= -2.69 K(o=-2.7,f=-0.53) USER MOD Single : A 42 TYR OH : rot 30:sc= -0.0877 USER MOD Single : A 45 MET CE :methyl -164:sc= -0.0995 (180deg=-0.559) USER MOD Single : A 62 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.15) USER MOD Single : A 66 LYS NZ :NH3+ -124:sc= -0.0843 (180deg=-2.43!) USER MOD Single : A 67 MET CE :methyl -170:sc= -0.0137 (180deg=-0.183) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.118 USER MOD Single : A 83 LYS NZ :NH3+ 171:sc= -0.0265 (180deg=-0.241) USER MOD Single : A 89 LYS NZ :NH3+ -167:sc= 0.971 (180deg=0.854) USER MOD Single : A 90 SER OG : rot 170:sc= 0.678 USER MOD Single : A 91 THR OG1 : rot -77:sc= 0.553 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N GLU A 7 16.548 -6.905 -1.474 1.00 34.53 N ATOM 90 CA GLU A 7 15.702 -6.740 -0.286 1.00 64.04 C ATOM 91 C GLU A 7 15.119 -5.322 -0.198 1.00 51.01 C ATOM 92 O GLU A 7 15.825 -4.360 0.119 1.00 1.02 O ATOM 93 CB GLU A 7 16.487 -7.078 0.990 1.00 1.42 C ATOM 94 CG GLU A 7 16.875 -8.553 1.098 1.00 2.31 C ATOM 95 CD GLU A 7 17.505 -8.917 2.433 1.00 22.34 C ATOM 96 OE1 GLU A 7 17.069 -8.379 3.471 1.00 63.43 O ATOM 97 OE2 GLU A 7 18.419 -9.772 2.457 1.00 21.54 O ATOM 0 HA GLU A 7 14.868 -7.436 -0.379 1.00 64.04 H new ATOM 0 HB2 GLU A 7 17.391 -6.470 1.022 1.00 1.42 H new ATOM 0 HB3 GLU A 7 15.888 -6.804 1.858 1.00 1.42 H new ATOM 0 HG2 GLU A 7 15.987 -9.166 0.945 1.00 2.31 H new ATOM 0 HG3 GLU A 7 17.573 -8.797 0.297 1.00 2.31 H new ATOM 104 N VAL A 8 13.818 -5.203 -0.470 1.00 73.44 N ATOM 105 CA VAL A 8 13.133 -3.904 -0.484 1.00 33.33 C ATOM 106 C VAL A 8 11.973 -3.851 0.530 1.00 50.15 C ATOM 107 O VAL A 8 11.391 -4.880 0.890 1.00 52.32 O ATOM 108 CB VAL A 8 12.585 -3.580 -1.897 1.00 13.33 C ATOM 109 CG1 VAL A 8 13.725 -3.473 -2.910 1.00 33.30 C ATOM 110 CG2 VAL A 8 11.566 -4.635 -2.335 1.00 61.52 C ATOM 0 H VAL A 8 13.212 -5.995 -0.685 1.00 73.44 H new ATOM 0 HA VAL A 8 13.876 -3.159 -0.200 1.00 33.33 H new ATOM 0 HB VAL A 8 12.080 -2.615 -1.854 1.00 13.33 H new ATOM 0 HG11 VAL A 8 13.317 -3.245 -3.895 1.00 33.30 H new ATOM 0 HG12 VAL A 8 14.407 -2.679 -2.607 1.00 33.30 H new ATOM 0 HG13 VAL A 8 14.265 -4.419 -2.951 1.00 33.30 H new ATOM 0 HG21 VAL A 8 11.193 -4.390 -3.329 1.00 61.52 H new ATOM 0 HG22 VAL A 8 12.043 -5.615 -2.358 1.00 61.52 H new ATOM 0 HG23 VAL A 8 10.735 -4.653 -1.630 1.00 61.52 H new ATOM 120 N VAL A 9 11.645 -2.640 0.981 1.00 21.21 N ATOM 121 CA VAL A 9 10.531 -2.415 1.913 1.00 70.50 C ATOM 122 C VAL A 9 9.491 -1.446 1.318 1.00 12.43 C ATOM 123 O VAL A 9 9.836 -0.542 0.555 1.00 13.10 O ATOM 124 CB VAL A 9 11.032 -1.854 3.272 1.00 72.21 C ATOM 125 CG1 VAL A 9 11.981 -2.838 3.954 1.00 3.45 C ATOM 126 CG2 VAL A 9 11.704 -0.493 3.089 1.00 3.44 C ATOM 0 H VAL A 9 12.139 -1.789 0.714 1.00 21.21 H new ATOM 0 HA VAL A 9 10.061 -3.384 2.081 1.00 70.50 H new ATOM 0 HB VAL A 9 10.164 -1.719 3.917 1.00 72.21 H new ATOM 0 HG11 VAL A 9 12.317 -2.421 4.903 1.00 3.45 H new ATOM 0 HG12 VAL A 9 11.461 -3.779 4.135 1.00 3.45 H new ATOM 0 HG13 VAL A 9 12.843 -3.017 3.311 1.00 3.45 H new ATOM 0 HG21 VAL A 9 12.045 -0.123 4.056 1.00 3.44 H new ATOM 0 HG22 VAL A 9 12.557 -0.596 2.418 1.00 3.44 H new ATOM 0 HG23 VAL A 9 10.990 0.211 2.663 1.00 3.44 H new ATOM 136 N ALA A 10 8.218 -1.643 1.666 1.00 34.32 N ATOM 137 CA ALA A 10 7.130 -0.788 1.173 1.00 13.13 C ATOM 138 C ALA A 10 6.568 0.109 2.288 1.00 72.11 C ATOM 139 O ALA A 10 6.036 -0.381 3.284 1.00 53.15 O ATOM 140 CB ALA A 10 6.016 -1.642 0.573 1.00 51.32 C ATOM 0 H ALA A 10 7.912 -2.390 2.290 1.00 34.32 H new ATOM 0 HA ALA A 10 7.541 -0.141 0.398 1.00 13.13 H new ATOM 0 HB1 ALA A 10 5.216 -0.995 0.212 1.00 51.32 H new ATOM 0 HB2 ALA A 10 6.413 -2.227 -0.257 1.00 51.32 H new ATOM 0 HB3 ALA A 10 5.622 -2.314 1.335 1.00 51.32 H new ATOM 146 N ILE A 11 6.692 1.424 2.114 1.00 72.04 N ATOM 147 CA ILE A 11 6.192 2.392 3.099 1.00 41.11 C ATOM 148 C ILE A 11 4.843 2.989 2.653 1.00 4.13 C ATOM 149 O ILE A 11 4.741 3.564 1.568 1.00 3.51 O ATOM 150 CB ILE A 11 7.201 3.550 3.318 1.00 41.42 C ATOM 151 CG1 ILE A 11 8.630 3.004 3.507 1.00 4.33 C ATOM 152 CG2 ILE A 11 6.785 4.408 4.518 1.00 62.41 C ATOM 153 CD1 ILE A 11 8.791 2.071 4.689 1.00 64.21 C ATOM 0 H ILE A 11 7.135 1.848 1.299 1.00 72.04 H new ATOM 0 HA ILE A 11 6.060 1.849 4.035 1.00 41.11 H new ATOM 0 HB ILE A 11 7.195 4.180 2.428 1.00 41.42 H new ATOM 0 HG12 ILE A 11 8.928 2.477 2.600 1.00 4.33 H new ATOM 0 HG13 ILE A 11 9.314 3.844 3.627 1.00 4.33 H new ATOM 0 HG21 ILE A 11 7.505 5.215 4.655 1.00 62.41 H new ATOM 0 HG22 ILE A 11 5.796 4.831 4.338 1.00 62.41 H new ATOM 0 HG23 ILE A 11 6.757 3.790 5.415 1.00 62.41 H new ATOM 0 HD11 ILE A 11 9.826 1.734 4.748 1.00 64.21 H new ATOM 0 HD12 ILE A 11 8.528 2.597 5.606 1.00 64.21 H new ATOM 0 HD13 ILE A 11 8.135 1.209 4.564 1.00 64.21 H new ATOM 165 N ILE A 12 3.815 2.840 3.486 1.00 4.45 N ATOM 166 CA ILE A 12 2.484 3.392 3.194 1.00 34.04 C ATOM 167 C ILE A 12 2.180 4.600 4.097 1.00 23.24 C ATOM 168 O ILE A 12 2.044 4.465 5.318 1.00 23.51 O ATOM 169 CB ILE A 12 1.355 2.333 3.370 1.00 2.24 C ATOM 170 CG1 ILE A 12 1.556 1.121 2.432 1.00 34.23 C ATOM 171 CG2 ILE A 12 -0.015 2.969 3.123 1.00 31.31 C ATOM 172 CD1 ILE A 12 2.676 0.184 2.840 1.00 21.53 C ATOM 0 H ILE A 12 3.874 2.340 4.373 1.00 4.45 H new ATOM 0 HA ILE A 12 2.504 3.706 2.150 1.00 34.04 H new ATOM 0 HB ILE A 12 1.402 1.970 4.397 1.00 2.24 H new ATOM 0 HG12 ILE A 12 0.625 0.555 2.387 1.00 34.23 H new ATOM 0 HG13 ILE A 12 1.755 1.487 1.425 1.00 34.23 H new ATOM 0 HG21 ILE A 12 -0.794 2.217 3.250 1.00 31.31 H new ATOM 0 HG22 ILE A 12 -0.174 3.779 3.835 1.00 31.31 H new ATOM 0 HG23 ILE A 12 -0.055 3.365 2.108 1.00 31.31 H new ATOM 0 HD11 ILE A 12 2.743 -0.636 2.125 1.00 21.53 H new ATOM 0 HD12 ILE A 12 3.619 0.730 2.856 1.00 21.53 H new ATOM 0 HD13 ILE A 12 2.472 -0.217 3.833 1.00 21.53 H new ATOM 184 N SER A 13 2.072 5.777 3.486 1.00 71.15 N ATOM 185 CA SER A 13 1.781 7.021 4.217 1.00 62.50 C ATOM 186 C SER A 13 0.483 7.675 3.722 1.00 2.33 C ATOM 187 O SER A 13 0.255 7.790 2.518 1.00 51.23 O ATOM 188 CB SER A 13 2.944 8.014 4.062 1.00 33.21 C ATOM 189 OG SER A 13 4.140 7.501 4.627 1.00 54.21 O ATOM 0 H SER A 13 2.181 5.902 2.480 1.00 71.15 H new ATOM 0 HA SER A 13 1.656 6.762 5.268 1.00 62.50 H new ATOM 0 HB2 SER A 13 3.102 8.230 3.005 1.00 33.21 H new ATOM 0 HB3 SER A 13 2.687 8.957 4.545 1.00 33.21 H new ATOM 0 HG SER A 13 4.862 8.153 4.512 1.00 54.21 H new ATOM 195 N GLN A 14 -0.362 8.115 4.654 1.00 12.23 N ATOM 196 CA GLN A 14 -1.627 8.777 4.307 1.00 41.24 C ATOM 197 C GLN A 14 -1.667 10.212 4.863 1.00 23.14 C ATOM 198 O GLN A 14 -1.235 10.461 5.987 1.00 3.24 O ATOM 199 CB GLN A 14 -2.817 7.968 4.841 1.00 21.52 C ATOM 200 CG GLN A 14 -4.170 8.472 4.350 1.00 35.33 C ATOM 201 CD GLN A 14 -5.337 7.663 4.892 1.00 63.12 C ATOM 202 OE1 GLN A 14 -5.281 7.124 5.993 1.00 62.53 O ATOM 203 NE2 GLN A 14 -6.404 7.574 4.126 1.00 54.55 N ATOM 0 H GLN A 14 -0.197 8.027 5.657 1.00 12.23 H new ATOM 0 HA GLN A 14 -1.696 8.829 3.220 1.00 41.24 H new ATOM 0 HB2 GLN A 14 -2.698 6.926 4.545 1.00 21.52 H new ATOM 0 HB3 GLN A 14 -2.803 7.994 5.931 1.00 21.52 H new ATOM 0 HG2 GLN A 14 -4.291 9.515 4.643 1.00 35.33 H new ATOM 0 HG3 GLN A 14 -4.189 8.442 3.261 1.00 35.33 H new ATOM 0 HE21 GLN A 14 -6.418 8.034 3.216 1.00 54.55 H new ATOM 0 HE22 GLN A 14 -7.217 7.045 4.443 1.00 54.55 H new ATOM 212 N ASN A 15 -2.180 11.149 4.062 1.00 42.23 N ATOM 213 CA ASN A 15 -2.231 12.576 4.434 1.00 32.23 C ATOM 214 C ASN A 15 -0.825 13.154 4.701 1.00 13.21 C ATOM 215 O ASN A 15 -0.685 14.221 5.303 1.00 31.44 O ATOM 216 CB ASN A 15 -3.128 12.803 5.664 1.00 4.54 C ATOM 217 CG ASN A 15 -4.582 12.442 5.415 1.00 72.54 C ATOM 218 OD1 ASN A 15 -5.354 13.245 4.907 1.00 62.23 O ATOM 219 ND2 ASN A 15 -4.974 11.243 5.791 1.00 21.01 N ATOM 0 H ASN A 15 -2.571 10.948 3.142 1.00 42.23 H new ATOM 0 HA ASN A 15 -2.660 13.103 3.582 1.00 32.23 H new ATOM 0 HB2 ASN A 15 -2.750 12.210 6.497 1.00 4.54 H new ATOM 0 HB3 ASN A 15 -3.066 13.849 5.964 1.00 4.54 H new ATOM 0 HD21 ASN A 15 -5.945 10.960 5.662 1.00 21.01 H new ATOM 0 HD22 ASN A 15 -4.306 10.597 6.211 1.00 21.01 H new ATOM 226 N GLY A 16 0.209 12.455 4.235 1.00 40.32 N ATOM 227 CA GLY A 16 1.583 12.915 4.433 1.00 75.11 C ATOM 228 C GLY A 16 2.263 12.318 5.667 1.00 61.55 C ATOM 229 O GLY A 16 3.400 12.675 5.986 1.00 65.21 O ATOM 0 H GLY A 16 0.124 11.577 3.723 1.00 40.32 H new ATOM 0 HA2 GLY A 16 2.171 12.665 3.550 1.00 75.11 H new ATOM 0 HA3 GLY A 16 1.583 14.002 4.520 1.00 75.11 H new ATOM 233 N LYS A 17 1.575 11.416 6.366 1.00 71.31 N ATOM 234 CA LYS A 17 2.136 10.760 7.558 1.00 64.51 C ATOM 235 C LYS A 17 2.091 9.229 7.424 1.00 54.51 C ATOM 236 O LYS A 17 1.118 8.668 6.918 1.00 71.34 O ATOM 237 CB LYS A 17 1.379 11.208 8.819 1.00 51.53 C ATOM 238 CG LYS A 17 -0.119 10.905 8.788 1.00 63.30 C ATOM 239 CD LYS A 17 -0.837 11.419 10.037 1.00 1.34 C ATOM 240 CE LYS A 17 -0.343 10.731 11.304 1.00 62.12 C ATOM 241 NZ LYS A 17 -1.082 11.188 12.510 1.00 33.42 N ATOM 0 H LYS A 17 0.628 11.119 6.131 1.00 71.31 H new ATOM 0 HA LYS A 17 3.180 11.059 7.647 1.00 64.51 H new ATOM 0 HB2 LYS A 17 1.820 10.719 9.688 1.00 51.53 H new ATOM 0 HB3 LYS A 17 1.519 12.281 8.952 1.00 51.53 H new ATOM 0 HG2 LYS A 17 -0.562 11.361 7.903 1.00 63.30 H new ATOM 0 HG3 LYS A 17 -0.269 9.829 8.702 1.00 63.30 H new ATOM 0 HD2 LYS A 17 -0.685 12.495 10.126 1.00 1.34 H new ATOM 0 HD3 LYS A 17 -1.910 11.257 9.931 1.00 1.34 H new ATOM 0 HE2 LYS A 17 -0.455 9.652 11.198 1.00 62.12 H new ATOM 0 HE3 LYS A 17 0.721 10.930 11.434 1.00 62.12 H new ATOM 0 HZ1 LYS A 17 -0.715 10.696 13.349 1.00 33.42 H new ATOM 0 HZ2 LYS A 17 -0.955 12.214 12.627 1.00 33.42 H new ATOM 0 HZ3 LYS A 17 -2.094 10.975 12.399 1.00 33.42 H new ATOM 255 N VAL A 18 3.150 8.558 7.880 1.00 50.40 N ATOM 256 CA VAL A 18 3.246 7.097 7.777 1.00 3.43 C ATOM 257 C VAL A 18 2.176 6.396 8.629 1.00 23.24 C ATOM 258 O VAL A 18 2.019 6.692 9.817 1.00 73.04 O ATOM 259 CB VAL A 18 4.644 6.590 8.212 1.00 4.20 C ATOM 260 CG1 VAL A 18 4.759 5.077 8.025 1.00 33.32 C ATOM 261 CG2 VAL A 18 5.750 7.319 7.445 1.00 62.25 C ATOM 0 H VAL A 18 3.954 9.001 8.324 1.00 50.40 H new ATOM 0 HA VAL A 18 3.083 6.851 6.728 1.00 3.43 H new ATOM 0 HB VAL A 18 4.767 6.808 9.273 1.00 4.20 H new ATOM 0 HG11 VAL A 18 5.749 4.746 8.337 1.00 33.32 H new ATOM 0 HG12 VAL A 18 4.002 4.577 8.629 1.00 33.32 H new ATOM 0 HG13 VAL A 18 4.608 4.828 6.975 1.00 33.32 H new ATOM 0 HG21 VAL A 18 6.722 6.947 7.767 1.00 62.25 H new ATOM 0 HG22 VAL A 18 5.629 7.142 6.376 1.00 62.25 H new ATOM 0 HG23 VAL A 18 5.687 8.389 7.645 1.00 62.25 H new ATOM 271 N ILE A 19 1.444 5.468 8.015 1.00 22.41 N ATOM 272 CA ILE A 19 0.418 4.695 8.723 1.00 35.03 C ATOM 273 C ILE A 19 0.804 3.208 8.837 1.00 13.43 C ATOM 274 O ILE A 19 0.453 2.538 9.810 1.00 40.21 O ATOM 275 CB ILE A 19 -0.967 4.819 8.030 1.00 4.42 C ATOM 276 CG1 ILE A 19 -0.894 4.325 6.574 1.00 4.12 C ATOM 277 CG2 ILE A 19 -1.463 6.266 8.085 1.00 31.01 C ATOM 278 CD1 ILE A 19 -2.215 4.392 5.834 1.00 73.01 C ATOM 0 H ILE A 19 1.541 5.231 7.028 1.00 22.41 H new ATOM 0 HA ILE A 19 0.349 5.116 9.726 1.00 35.03 H new ATOM 0 HB ILE A 19 -1.677 4.190 8.566 1.00 4.42 H new ATOM 0 HG12 ILE A 19 -0.157 4.921 6.035 1.00 4.12 H new ATOM 0 HG13 ILE A 19 -0.538 3.295 6.568 1.00 4.12 H new ATOM 0 HG21 ILE A 19 -2.434 6.337 7.595 1.00 31.01 H new ATOM 0 HG22 ILE A 19 -1.557 6.579 9.125 1.00 31.01 H new ATOM 0 HG23 ILE A 19 -0.751 6.914 7.574 1.00 31.01 H new ATOM 0 HD11 ILE A 19 -2.081 4.027 4.816 1.00 73.01 H new ATOM 0 HD12 ILE A 19 -2.951 3.773 6.347 1.00 73.01 H new ATOM 0 HD13 ILE A 19 -2.565 5.424 5.806 1.00 73.01 H new ATOM 290 N ARG A 20 1.533 2.696 7.847 1.00 20.04 N ATOM 291 CA ARG A 20 1.950 1.290 7.848 1.00 4.41 C ATOM 292 C ARG A 20 3.186 1.074 6.957 1.00 21.21 C ATOM 293 O ARG A 20 3.334 1.719 5.927 1.00 72.15 O ATOM 294 CB ARG A 20 0.794 0.402 7.355 1.00 45.33 C ATOM 295 CG ARG A 20 0.988 -1.087 7.640 1.00 52.33 C ATOM 296 CD ARG A 20 0.871 -1.401 9.129 1.00 70.54 C ATOM 297 NE ARG A 20 -0.482 -1.161 9.628 1.00 65.03 N ATOM 298 CZ ARG A 20 -0.769 -0.449 10.685 1.00 53.30 C ATOM 299 NH1 ARG A 20 0.166 0.128 11.373 1.00 34.13 N ATOM 300 NH2 ARG A 20 -2.003 -0.308 11.038 1.00 74.30 N ATOM 0 H ARG A 20 1.847 3.229 7.036 1.00 20.04 H new ATOM 0 HA ARG A 20 2.214 1.016 8.870 1.00 4.41 H new ATOM 0 HB2 ARG A 20 -0.131 0.734 7.826 1.00 45.33 H new ATOM 0 HB3 ARG A 20 0.674 0.543 6.281 1.00 45.33 H new ATOM 0 HG2 ARG A 20 0.245 -1.662 7.088 1.00 52.33 H new ATOM 0 HG3 ARG A 20 1.967 -1.401 7.278 1.00 52.33 H new ATOM 0 HD2 ARG A 20 1.144 -2.442 9.304 1.00 70.54 H new ATOM 0 HD3 ARG A 20 1.579 -0.788 9.687 1.00 70.54 H new ATOM 0 HE ARG A 20 -1.257 -1.579 9.114 1.00 65.03 H new ATOM 0 HH11 ARG A 20 1.141 0.029 11.091 1.00 34.13 H new ATOM 0 HH12 ARG A 20 -0.074 0.681 12.196 1.00 34.13 H new ATOM 0 HH21 ARG A 20 -2.743 -0.751 10.493 1.00 74.30 H new ATOM 0 HH22 ARG A 20 -2.238 0.246 11.862 1.00 74.30 H new ATOM 314 N GLU A 21 4.070 0.163 7.362 1.00 34.34 N ATOM 315 CA GLU A 21 5.245 -0.200 6.549 1.00 73.24 C ATOM 316 C GLU A 21 5.478 -1.719 6.577 1.00 61.42 C ATOM 317 O GLU A 21 5.443 -2.342 7.638 1.00 72.41 O ATOM 318 CB GLU A 21 6.496 0.544 7.038 1.00 2.55 C ATOM 319 CG GLU A 21 6.838 0.302 8.506 1.00 61.31 C ATOM 320 CD GLU A 21 8.108 1.021 8.940 1.00 62.51 C ATOM 321 OE1 GLU A 21 8.029 2.215 9.296 1.00 75.02 O ATOM 322 OE2 GLU A 21 9.194 0.397 8.927 1.00 44.21 O ATOM 0 H GLU A 21 4.001 -0.340 8.246 1.00 34.34 H new ATOM 0 HA GLU A 21 5.049 0.099 5.519 1.00 73.24 H new ATOM 0 HB2 GLU A 21 7.346 0.244 6.425 1.00 2.55 H new ATOM 0 HB3 GLU A 21 6.353 1.613 6.882 1.00 2.55 H new ATOM 0 HG2 GLU A 21 6.007 0.634 9.128 1.00 61.31 H new ATOM 0 HG3 GLU A 21 6.955 -0.768 8.676 1.00 61.31 H new ATOM 329 N ILE A 22 5.684 -2.316 5.402 1.00 33.20 N ATOM 330 CA ILE A 22 5.865 -3.771 5.293 1.00 53.32 C ATOM 331 C ILE A 22 7.163 -4.125 4.544 1.00 44.11 C ATOM 332 O ILE A 22 7.336 -3.756 3.381 1.00 10.12 O ATOM 333 CB ILE A 22 4.677 -4.461 4.555 1.00 12.14 C ATOM 334 CG1 ILE A 22 3.335 -4.214 5.274 1.00 53.34 C ATOM 335 CG2 ILE A 22 4.927 -5.967 4.413 1.00 15.52 C ATOM 336 CD1 ILE A 22 2.734 -2.846 5.024 1.00 24.22 C ATOM 0 H ILE A 22 5.730 -1.819 4.512 1.00 33.20 H new ATOM 0 HA ILE A 22 5.914 -4.138 6.318 1.00 53.32 H new ATOM 0 HB ILE A 22 4.613 -4.016 3.562 1.00 12.14 H new ATOM 0 HG12 ILE A 22 2.621 -4.974 4.957 1.00 53.34 H new ATOM 0 HG13 ILE A 22 3.482 -4.342 6.346 1.00 53.34 H new ATOM 0 HG21 ILE A 22 4.086 -6.428 3.895 1.00 15.52 H new ATOM 0 HG22 ILE A 22 5.840 -6.132 3.841 1.00 15.52 H new ATOM 0 HG23 ILE A 22 5.033 -6.413 5.402 1.00 15.52 H new ATOM 0 HD11 ILE A 22 1.793 -2.757 5.567 1.00 24.22 H new ATOM 0 HD12 ILE A 22 3.425 -2.077 5.368 1.00 24.22 H new ATOM 0 HD13 ILE A 22 2.551 -2.718 3.957 1.00 24.22 H new ATOM 348 N PRO A 23 8.097 -4.841 5.198 1.00 24.14 N ATOM 349 CA PRO A 23 9.290 -5.374 4.520 1.00 0.31 C ATOM 350 C PRO A 23 8.923 -6.485 3.522 1.00 62.13 C ATOM 351 O PRO A 23 8.661 -7.623 3.909 1.00 22.10 O ATOM 352 CB PRO A 23 10.147 -5.918 5.674 1.00 1.01 C ATOM 353 CG PRO A 23 9.173 -6.203 6.769 1.00 34.55 C ATOM 354 CD PRO A 23 8.085 -5.168 6.638 1.00 14.32 C ATOM 0 HA PRO A 23 9.808 -4.621 3.927 1.00 0.31 H new ATOM 0 HB2 PRO A 23 10.684 -6.819 5.378 1.00 1.01 H new ATOM 0 HB3 PRO A 23 10.895 -5.190 5.989 1.00 1.01 H new ATOM 0 HG2 PRO A 23 8.766 -7.210 6.677 1.00 34.55 H new ATOM 0 HG3 PRO A 23 9.654 -6.142 7.745 1.00 34.55 H new ATOM 0 HD2 PRO A 23 7.118 -5.559 6.953 1.00 14.32 H new ATOM 0 HD3 PRO A 23 8.289 -4.290 7.251 1.00 14.32 H new ATOM 362 N LEU A 24 8.890 -6.140 2.235 1.00 43.34 N ATOM 363 CA LEU A 24 8.421 -7.062 1.194 1.00 73.34 C ATOM 364 C LEU A 24 9.292 -8.323 1.095 1.00 13.33 C ATOM 365 O LEU A 24 8.812 -9.437 1.320 1.00 35.23 O ATOM 366 CB LEU A 24 8.376 -6.351 -0.166 1.00 61.03 C ATOM 367 CG LEU A 24 7.434 -5.138 -0.242 1.00 23.03 C ATOM 368 CD1 LEU A 24 7.460 -4.521 -1.637 1.00 31.25 C ATOM 369 CD2 LEU A 24 6.011 -5.536 0.154 1.00 43.21 C ATOM 0 H LEU A 24 9.183 -5.228 1.885 1.00 43.34 H new ATOM 0 HA LEU A 24 7.417 -7.379 1.476 1.00 73.34 H new ATOM 0 HB2 LEU A 24 9.384 -6.024 -0.420 1.00 61.03 H new ATOM 0 HB3 LEU A 24 8.074 -7.073 -0.925 1.00 61.03 H new ATOM 0 HG LEU A 24 7.785 -4.386 0.465 1.00 23.03 H new ATOM 0 HD11 LEU A 24 6.787 -3.664 -1.669 1.00 31.25 H new ATOM 0 HD12 LEU A 24 8.473 -4.195 -1.872 1.00 31.25 H new ATOM 0 HD13 LEU A 24 7.139 -5.262 -2.369 1.00 31.25 H new ATOM 0 HD21 LEU A 24 5.359 -4.664 0.094 1.00 43.21 H new ATOM 0 HD22 LEU A 24 5.647 -6.308 -0.524 1.00 43.21 H new ATOM 0 HD23 LEU A 24 6.011 -5.919 1.174 1.00 43.21 H new ATOM 381 N THR A 25 10.566 -8.145 0.759 1.00 31.12 N ATOM 382 CA THR A 25 11.486 -9.278 0.591 1.00 20.04 C ATOM 383 C THR A 25 11.588 -10.114 1.876 1.00 53.24 C ATOM 384 O THR A 25 11.786 -9.576 2.969 1.00 72.13 O ATOM 385 CB THR A 25 12.898 -8.806 0.184 1.00 22.40 C ATOM 386 OG1 THR A 25 12.803 -7.865 -0.899 1.00 5.03 O ATOM 387 CG2 THR A 25 13.774 -9.984 -0.241 1.00 55.22 C ATOM 0 H THR A 25 10.989 -7.231 0.597 1.00 31.12 H new ATOM 0 HA THR A 25 11.074 -9.896 -0.206 1.00 20.04 H new ATOM 0 HB THR A 25 13.358 -8.330 1.050 1.00 22.40 H new ATOM 0 HG1 THR A 25 13.292 -8.209 -1.675 1.00 5.03 H new ATOM 0 HG21 THR A 25 14.762 -9.620 -0.522 1.00 55.22 H new ATOM 0 HG22 THR A 25 13.868 -10.685 0.588 1.00 55.22 H new ATOM 0 HG23 THR A 25 13.318 -10.488 -1.093 1.00 55.22 H new ATOM 395 N GLY A 26 11.453 -11.432 1.737 1.00 25.34 N ATOM 396 CA GLY A 26 11.424 -12.316 2.897 1.00 72.54 C ATOM 397 C GLY A 26 10.007 -12.568 3.410 1.00 61.32 C ATOM 398 O GLY A 26 9.698 -13.656 3.905 1.00 20.05 O ATOM 0 H GLY A 26 11.363 -11.907 0.839 1.00 25.34 H new ATOM 0 HA2 GLY A 26 11.886 -13.268 2.635 1.00 72.54 H new ATOM 0 HA3 GLY A 26 12.023 -11.880 3.696 1.00 72.54 H new ATOM 402 N HIS A 27 9.142 -11.559 3.284 1.00 20.20 N ATOM 403 CA HIS A 27 7.751 -11.668 3.732 1.00 33.30 C ATOM 404 C HIS A 27 6.934 -12.548 2.770 1.00 45.32 C ATOM 405 O HIS A 27 6.275 -12.054 1.845 1.00 53.11 O ATOM 406 CB HIS A 27 7.115 -10.276 3.850 1.00 71.41 C ATOM 407 CG HIS A 27 5.725 -10.289 4.415 1.00 10.13 C ATOM 408 ND1 HIS A 27 4.621 -10.685 3.692 1.00 1.10 N ATOM 409 CD2 HIS A 27 5.264 -9.959 5.645 1.00 4.32 C ATOM 410 CE1 HIS A 27 3.544 -10.595 4.449 1.00 45.12 C ATOM 411 NE2 HIS A 27 3.907 -10.160 5.635 1.00 0.34 N ATOM 0 H HIS A 27 9.381 -10.656 2.875 1.00 20.20 H new ATOM 0 HA HIS A 27 7.747 -12.139 4.715 1.00 33.30 H new ATOM 0 HB2 HIS A 27 7.747 -9.651 4.480 1.00 71.41 H new ATOM 0 HB3 HIS A 27 7.091 -9.813 2.863 1.00 71.41 H new ATOM 0 HD2 HIS A 27 5.854 -9.604 6.477 1.00 4.32 H new ATOM 0 HE1 HIS A 27 2.536 -10.837 4.146 1.00 45.12 H new ATOM 0 HE2 HIS A 27 3.280 -9.998 6.423 1.00 0.34 H new ATOM 420 N LYS A 28 6.986 -13.851 3.000 1.00 44.10 N ATOM 421 CA LYS A 28 6.334 -14.828 2.126 1.00 30.42 C ATOM 422 C LYS A 28 4.866 -15.055 2.525 1.00 0.04 C ATOM 423 O LYS A 28 4.432 -14.629 3.597 1.00 30.11 O ATOM 424 CB LYS A 28 7.123 -16.144 2.164 1.00 24.12 C ATOM 425 CG LYS A 28 7.148 -16.811 3.540 1.00 65.12 C ATOM 426 CD LYS A 28 8.292 -17.813 3.672 1.00 61.42 C ATOM 427 CE LYS A 28 9.653 -17.124 3.667 1.00 62.14 C ATOM 428 NZ LYS A 28 9.810 -16.177 4.807 1.00 43.13 N ATOM 0 H LYS A 28 7.477 -14.265 3.792 1.00 44.10 H new ATOM 0 HA LYS A 28 6.328 -14.438 1.108 1.00 30.42 H new ATOM 0 HB2 LYS A 28 6.690 -16.837 1.443 1.00 24.12 H new ATOM 0 HB3 LYS A 28 8.148 -15.952 1.846 1.00 24.12 H new ATOM 0 HG2 LYS A 28 7.245 -16.047 4.311 1.00 65.12 H new ATOM 0 HG3 LYS A 28 6.200 -17.319 3.713 1.00 65.12 H new ATOM 0 HD2 LYS A 28 8.175 -18.379 4.596 1.00 61.42 H new ATOM 0 HD3 LYS A 28 8.244 -18.529 2.852 1.00 61.42 H new ATOM 0 HE2 LYS A 28 10.440 -17.877 3.712 1.00 62.14 H new ATOM 0 HE3 LYS A 28 9.782 -16.584 2.729 1.00 62.14 H new ATOM 0 HZ1 LYS A 28 10.675 -16.410 5.335 1.00 43.13 H new ATOM 0 HZ2 LYS A 28 9.877 -15.205 4.444 1.00 43.13 H new ATOM 0 HZ3 LYS A 28 8.987 -16.254 5.438 1.00 43.13 H new ATOM 442 N GLY A 29 4.109 -15.721 1.657 1.00 3.24 N ATOM 443 CA GLY A 29 2.691 -15.947 1.918 1.00 71.41 C ATOM 444 C GLY A 29 1.837 -14.704 1.668 1.00 31.23 C ATOM 445 O GLY A 29 2.277 -13.756 1.020 1.00 4.42 O ATOM 0 H GLY A 29 4.449 -16.109 0.777 1.00 3.24 H new ATOM 0 HA2 GLY A 29 2.335 -16.760 1.285 1.00 71.41 H new ATOM 0 HA3 GLY A 29 2.563 -16.268 2.952 1.00 71.41 H new ATOM 449 N ASN A 30 0.622 -14.690 2.208 1.00 31.14 N ATOM 450 CA ASN A 30 -0.311 -13.578 1.979 1.00 53.33 C ATOM 451 C ASN A 30 -0.669 -12.854 3.286 1.00 70.22 C ATOM 452 O ASN A 30 -0.753 -13.467 4.349 1.00 32.34 O ATOM 453 CB ASN A 30 -1.592 -14.097 1.315 1.00 12.14 C ATOM 454 CG ASN A 30 -2.565 -12.987 0.944 1.00 72.43 C ATOM 455 OD1 ASN A 30 -3.777 -13.151 1.042 1.00 33.24 O ATOM 456 ND2 ASN A 30 -2.054 -11.855 0.493 1.00 45.30 N ATOM 0 H ASN A 30 0.256 -15.431 2.806 1.00 31.14 H new ATOM 0 HA ASN A 30 0.185 -12.864 1.322 1.00 53.33 H new ATOM 0 HB2 ASN A 30 -1.328 -14.655 0.417 1.00 12.14 H new ATOM 0 HB3 ASN A 30 -2.087 -14.795 1.990 1.00 12.14 H new ATOM 0 HD21 ASN A 30 -2.671 -11.091 0.216 1.00 45.30 H new ATOM 0 HD22 ASN A 30 -1.042 -11.745 0.422 1.00 45.30 H new ATOM 463 N GLU A 31 -0.885 -11.545 3.183 1.00 25.42 N ATOM 464 CA GLU A 31 -1.259 -10.707 4.327 1.00 43.23 C ATOM 465 C GLU A 31 -1.884 -9.387 3.840 1.00 33.44 C ATOM 466 O GLU A 31 -1.236 -8.601 3.146 1.00 33.55 O ATOM 467 CB GLU A 31 -0.022 -10.434 5.198 1.00 5.41 C ATOM 468 CG GLU A 31 -0.281 -9.532 6.401 1.00 20.45 C ATOM 469 CD GLU A 31 0.920 -9.458 7.334 1.00 5.51 C ATOM 470 OE1 GLU A 31 1.888 -8.736 7.009 1.00 52.40 O ATOM 471 OE2 GLU A 31 0.919 -10.144 8.379 1.00 4.33 O ATOM 0 H GLU A 31 -0.806 -11.032 2.305 1.00 25.42 H new ATOM 0 HA GLU A 31 -2.001 -11.233 4.928 1.00 43.23 H new ATOM 0 HB2 GLU A 31 0.374 -11.386 5.552 1.00 5.41 H new ATOM 0 HB3 GLU A 31 0.750 -9.978 4.578 1.00 5.41 H new ATOM 0 HG2 GLU A 31 -0.532 -8.530 6.054 1.00 20.45 H new ATOM 0 HG3 GLU A 31 -1.145 -9.904 6.952 1.00 20.45 H new ATOM 478 N GLN A 32 -3.154 -9.168 4.178 1.00 52.23 N ATOM 479 CA GLN A 32 -3.883 -7.966 3.743 1.00 62.33 C ATOM 480 C GLN A 32 -4.235 -7.066 4.938 1.00 40.42 C ATOM 481 O GLN A 32 -4.524 -7.554 6.033 1.00 65.14 O ATOM 482 CB GLN A 32 -5.178 -8.369 3.017 1.00 24.12 C ATOM 483 CG GLN A 32 -4.981 -9.378 1.890 1.00 74.31 C ATOM 484 CD GLN A 32 -6.300 -9.862 1.306 1.00 3.52 C ATOM 485 OE1 GLN A 32 -7.322 -9.894 1.987 1.00 15.00 O ATOM 486 NE2 GLN A 32 -6.293 -10.266 0.054 1.00 63.41 N ATOM 0 H GLN A 32 -3.705 -9.806 4.753 1.00 52.23 H new ATOM 0 HA GLN A 32 -3.235 -7.410 3.066 1.00 62.33 H new ATOM 0 HB2 GLN A 32 -5.873 -8.787 3.745 1.00 24.12 H new ATOM 0 HB3 GLN A 32 -5.645 -7.473 2.608 1.00 24.12 H new ATOM 0 HG2 GLN A 32 -4.382 -8.924 1.100 1.00 74.31 H new ATOM 0 HG3 GLN A 32 -4.418 -10.232 2.266 1.00 74.31 H new ATOM 0 HE21 GLN A 32 -5.430 -10.229 -0.489 1.00 63.41 H new ATOM 0 HE22 GLN A 32 -7.150 -10.616 -0.374 1.00 63.41 H new ATOM 495 N PHE A 33 -4.232 -5.753 4.724 1.00 64.40 N ATOM 496 CA PHE A 33 -4.627 -4.800 5.768 1.00 51.03 C ATOM 497 C PHE A 33 -5.503 -3.671 5.198 1.00 32.23 C ATOM 498 O PHE A 33 -5.261 -3.169 4.095 1.00 22.11 O ATOM 499 CB PHE A 33 -3.393 -4.232 6.491 1.00 70.32 C ATOM 500 CG PHE A 33 -2.392 -3.540 5.597 1.00 33.25 C ATOM 501 CD1 PHE A 33 -1.459 -4.273 4.876 1.00 62.25 C ATOM 502 CD2 PHE A 33 -2.374 -2.154 5.489 1.00 51.45 C ATOM 503 CE1 PHE A 33 -0.533 -3.641 4.069 1.00 62.04 C ATOM 504 CE2 PHE A 33 -1.452 -1.518 4.682 1.00 12.21 C ATOM 505 CZ PHE A 33 -0.530 -2.262 3.971 1.00 71.30 C ATOM 0 H PHE A 33 -3.962 -5.321 3.840 1.00 64.40 H new ATOM 0 HA PHE A 33 -5.226 -5.342 6.499 1.00 51.03 H new ATOM 0 HB2 PHE A 33 -3.729 -3.526 7.250 1.00 70.32 H new ATOM 0 HB3 PHE A 33 -2.890 -5.046 7.013 1.00 70.32 H new ATOM 0 HD1 PHE A 33 -1.457 -5.351 4.947 1.00 62.25 H new ATOM 0 HD2 PHE A 33 -3.091 -1.567 6.044 1.00 51.45 H new ATOM 0 HE1 PHE A 33 0.188 -4.224 3.515 1.00 62.04 H new ATOM 0 HE2 PHE A 33 -1.451 -0.441 4.607 1.00 12.21 H new ATOM 0 HZ PHE A 33 0.192 -1.767 3.339 1.00 71.30 H new ATOM 515 N THR A 34 -6.528 -3.286 5.960 1.00 72.21 N ATOM 516 CA THR A 34 -7.511 -2.286 5.509 1.00 4.32 C ATOM 517 C THR A 34 -7.212 -0.891 6.069 1.00 63.03 C ATOM 518 O THR A 34 -7.182 -0.686 7.284 1.00 72.34 O ATOM 519 CB THR A 34 -8.951 -2.685 5.918 1.00 42.23 C ATOM 520 OG1 THR A 34 -9.282 -3.971 5.372 1.00 62.03 O ATOM 521 CG2 THR A 34 -9.971 -1.652 5.439 1.00 43.33 C ATOM 0 H THR A 34 -6.704 -3.650 6.896 1.00 72.21 H new ATOM 0 HA THR A 34 -7.433 -2.256 4.422 1.00 4.32 H new ATOM 0 HB THR A 34 -8.987 -2.728 7.007 1.00 42.23 H new ATOM 0 HG1 THR A 34 -10.193 -4.215 5.638 1.00 62.03 H new ATOM 0 HG21 THR A 34 -10.971 -1.961 5.742 1.00 43.33 H new ATOM 0 HG22 THR A 34 -9.742 -0.682 5.881 1.00 43.33 H new ATOM 0 HG23 THR A 34 -9.928 -1.575 4.353 1.00 43.33 H new ATOM 529 N ILE A 35 -7.012 0.068 5.173 1.00 4.24 N ATOM 530 CA ILE A 35 -6.748 1.461 5.552 1.00 62.52 C ATOM 531 C ILE A 35 -8.051 2.274 5.636 1.00 42.40 C ATOM 532 O ILE A 35 -8.802 2.348 4.668 1.00 75.14 O ATOM 533 CB ILE A 35 -5.802 2.140 4.528 1.00 11.33 C ATOM 534 CG1 ILE A 35 -4.469 1.376 4.432 1.00 23.43 C ATOM 535 CG2 ILE A 35 -5.565 3.604 4.900 1.00 72.43 C ATOM 536 CD1 ILE A 35 -3.535 1.911 3.367 1.00 53.51 C ATOM 0 H ILE A 35 -7.027 -0.091 4.166 1.00 4.24 H new ATOM 0 HA ILE A 35 -6.274 1.441 6.534 1.00 62.52 H new ATOM 0 HB ILE A 35 -6.280 2.113 3.549 1.00 11.33 H new ATOM 0 HG12 ILE A 35 -3.966 1.418 5.398 1.00 23.43 H new ATOM 0 HG13 ILE A 35 -4.676 0.326 4.226 1.00 23.43 H new ATOM 0 HG21 ILE A 35 -4.899 4.062 4.169 1.00 72.43 H new ATOM 0 HG22 ILE A 35 -6.516 4.136 4.907 1.00 72.43 H new ATOM 0 HG23 ILE A 35 -5.111 3.659 5.889 1.00 72.43 H new ATOM 0 HD11 ILE A 35 -2.617 1.323 3.359 1.00 53.51 H new ATOM 0 HD12 ILE A 35 -4.018 1.843 2.392 1.00 53.51 H new ATOM 0 HD13 ILE A 35 -3.296 2.953 3.582 1.00 53.51 H new ATOM 548 N LYS A 36 -8.311 2.882 6.796 1.00 10.14 N ATOM 549 CA LYS A 36 -9.492 3.745 6.981 1.00 32.30 C ATOM 550 C LYS A 36 -9.103 5.231 6.944 1.00 20.43 C ATOM 551 O LYS A 36 -8.247 5.674 7.715 1.00 42.21 O ATOM 552 CB LYS A 36 -10.184 3.421 8.313 1.00 3.33 C ATOM 553 CG LYS A 36 -10.846 2.045 8.356 1.00 53.22 C ATOM 554 CD LYS A 36 -11.359 1.711 9.758 1.00 13.22 C ATOM 555 CE LYS A 36 -12.148 0.407 9.785 1.00 61.31 C ATOM 556 NZ LYS A 36 -13.441 0.518 9.057 1.00 72.04 N ATOM 0 H LYS A 36 -7.722 2.796 7.625 1.00 10.14 H new ATOM 0 HA LYS A 36 -10.182 3.550 6.160 1.00 32.30 H new ATOM 0 HB2 LYS A 36 -9.449 3.484 9.116 1.00 3.33 H new ATOM 0 HB3 LYS A 36 -10.939 4.182 8.512 1.00 3.33 H new ATOM 0 HG2 LYS A 36 -11.675 2.017 7.648 1.00 53.22 H new ATOM 0 HG3 LYS A 36 -10.130 1.286 8.039 1.00 53.22 H new ATOM 0 HD2 LYS A 36 -10.515 1.638 10.444 1.00 13.22 H new ATOM 0 HD3 LYS A 36 -11.991 2.524 10.115 1.00 13.22 H new ATOM 0 HE2 LYS A 36 -11.549 -0.387 9.340 1.00 61.31 H new ATOM 0 HE3 LYS A 36 -12.339 0.121 10.819 1.00 61.31 H new ATOM 0 HZ1 LYS A 36 -14.024 -0.320 9.255 1.00 72.04 H new ATOM 0 HZ2 LYS A 36 -13.944 1.372 9.371 1.00 72.04 H new ATOM 0 HZ3 LYS A 36 -13.260 0.579 8.035 1.00 72.04 H new ATOM 570 N GLY A 37 -9.736 5.996 6.055 1.00 62.42 N ATOM 571 CA GLY A 37 -9.416 7.415 5.918 1.00 64.01 C ATOM 572 C GLY A 37 -10.620 8.338 6.114 1.00 3.04 C ATOM 573 O GLY A 37 -11.485 8.076 6.950 1.00 54.14 O ATOM 0 H GLY A 37 -10.465 5.661 5.426 1.00 62.42 H new ATOM 0 HA2 GLY A 37 -8.647 7.677 6.644 1.00 64.01 H new ATOM 0 HA3 GLY A 37 -8.993 7.589 4.929 1.00 64.01 H new ATOM 577 N LYS A 38 -10.664 9.421 5.335 1.00 42.24 N ATOM 578 CA LYS A 38 -11.727 10.431 5.444 1.00 65.54 C ATOM 579 C LYS A 38 -13.121 9.840 5.166 1.00 60.43 C ATOM 580 O LYS A 38 -13.466 9.537 4.021 1.00 22.10 O ATOM 581 CB LYS A 38 -11.438 11.590 4.473 1.00 73.35 C ATOM 582 CG LYS A 38 -12.388 12.780 4.613 1.00 4.51 C ATOM 583 CD LYS A 38 -12.304 13.425 5.996 1.00 22.01 C ATOM 584 CE LYS A 38 -10.894 13.915 6.313 1.00 31.42 C ATOM 585 NZ LYS A 38 -10.431 14.948 5.344 1.00 22.20 N ATOM 0 H LYS A 38 -9.971 9.625 4.615 1.00 42.24 H new ATOM 0 HA LYS A 38 -11.733 10.799 6.470 1.00 65.54 H new ATOM 0 HB2 LYS A 38 -10.416 11.935 4.632 1.00 73.35 H new ATOM 0 HB3 LYS A 38 -11.493 11.215 3.451 1.00 73.35 H new ATOM 0 HG2 LYS A 38 -12.151 13.524 3.852 1.00 4.51 H new ATOM 0 HG3 LYS A 38 -13.411 12.450 4.429 1.00 4.51 H new ATOM 0 HD2 LYS A 38 -12.999 14.263 6.048 1.00 22.01 H new ATOM 0 HD3 LYS A 38 -12.616 12.704 6.752 1.00 22.01 H new ATOM 0 HE2 LYS A 38 -10.872 14.328 7.321 1.00 31.42 H new ATOM 0 HE3 LYS A 38 -10.205 13.070 6.299 1.00 31.42 H new ATOM 0 HZ1 LYS A 38 -9.529 15.351 5.670 1.00 22.20 H new ATOM 0 HZ2 LYS A 38 -10.297 14.512 4.409 1.00 22.20 H new ATOM 0 HZ3 LYS A 38 -11.143 15.703 5.275 1.00 22.20 H new ATOM 599 N GLY A 39 -13.913 9.680 6.223 1.00 14.15 N ATOM 600 CA GLY A 39 -15.267 9.153 6.088 1.00 52.30 C ATOM 601 C GLY A 39 -15.309 7.685 5.665 1.00 74.32 C ATOM 602 O GLY A 39 -14.832 6.807 6.386 1.00 45.45 O ATOM 0 H GLY A 39 -13.641 9.907 7.180 1.00 14.15 H new ATOM 0 HA2 GLY A 39 -15.788 9.264 7.039 1.00 52.30 H new ATOM 0 HA3 GLY A 39 -15.810 9.750 5.355 1.00 52.30 H new ATOM 606 N ALA A 40 -15.877 7.424 4.490 1.00 4.34 N ATOM 607 CA ALA A 40 -16.020 6.056 3.972 1.00 51.12 C ATOM 608 C ALA A 40 -14.863 5.670 3.035 1.00 65.13 C ATOM 609 O ALA A 40 -14.883 4.607 2.408 1.00 52.41 O ATOM 610 CB ALA A 40 -17.356 5.921 3.249 1.00 4.53 C ATOM 0 H ALA A 40 -16.250 8.144 3.871 1.00 4.34 H new ATOM 0 HA ALA A 40 -15.989 5.371 4.819 1.00 51.12 H new ATOM 0 HB1 ALA A 40 -17.461 4.906 2.865 1.00 4.53 H new ATOM 0 HB2 ALA A 40 -18.169 6.132 3.944 1.00 4.53 H new ATOM 0 HB3 ALA A 40 -17.394 6.628 2.420 1.00 4.53 H new ATOM 616 N GLN A 41 -13.859 6.537 2.938 1.00 60.15 N ATOM 617 CA GLN A 41 -12.700 6.297 2.072 1.00 51.10 C ATOM 618 C GLN A 41 -11.747 5.251 2.679 1.00 2.41 C ATOM 619 O GLN A 41 -11.089 5.512 3.686 1.00 35.42 O ATOM 620 CB GLN A 41 -11.947 7.614 1.831 1.00 42.24 C ATOM 621 CG GLN A 41 -12.741 8.647 1.035 1.00 22.54 C ATOM 622 CD GLN A 41 -12.032 9.992 0.908 1.00 74.11 C ATOM 623 OE1 GLN A 41 -12.667 11.034 0.794 1.00 35.03 O ATOM 624 NE2 GLN A 41 -10.713 9.988 0.957 1.00 41.42 N ATOM 0 H GLN A 41 -13.822 7.418 3.450 1.00 60.15 H new ATOM 0 HA GLN A 41 -13.066 5.905 1.123 1.00 51.10 H new ATOM 0 HB2 GLN A 41 -11.673 8.045 2.794 1.00 42.24 H new ATOM 0 HB3 GLN A 41 -11.019 7.398 1.302 1.00 42.24 H new ATOM 0 HG2 GLN A 41 -12.938 8.253 0.038 1.00 22.54 H new ATOM 0 HG3 GLN A 41 -13.708 8.799 1.514 1.00 22.54 H new ATOM 0 HE21 GLN A 41 -10.209 9.106 1.052 1.00 41.42 H new ATOM 0 HE22 GLN A 41 -10.198 10.866 0.900 1.00 41.42 H new ATOM 633 N TYR A 42 -11.672 4.073 2.057 1.00 72.23 N ATOM 634 CA TYR A 42 -10.791 3.002 2.541 1.00 51.30 C ATOM 635 C TYR A 42 -9.871 2.485 1.422 1.00 25.55 C ATOM 636 O TYR A 42 -10.098 2.749 0.242 1.00 11.22 O ATOM 637 CB TYR A 42 -11.620 1.838 3.113 1.00 24.54 C ATOM 638 CG TYR A 42 -12.279 0.967 2.054 1.00 43.13 C ATOM 639 CD1 TYR A 42 -13.486 1.336 1.468 1.00 2.51 C ATOM 640 CD2 TYR A 42 -11.684 -0.222 1.635 1.00 52.14 C ATOM 641 CE1 TYR A 42 -14.077 0.546 0.499 1.00 12.21 C ATOM 642 CE2 TYR A 42 -12.272 -1.013 0.670 1.00 25.42 C ATOM 643 CZ TYR A 42 -13.466 -0.624 0.104 1.00 14.43 C ATOM 644 OH TYR A 42 -14.051 -1.413 -0.860 1.00 71.04 O ATOM 0 H TYR A 42 -12.206 3.835 1.222 1.00 72.23 H new ATOM 0 HA TYR A 42 -10.168 3.421 3.331 1.00 51.30 H new ATOM 0 HB2 TYR A 42 -10.974 1.214 3.730 1.00 24.54 H new ATOM 0 HB3 TYR A 42 -12.392 2.243 3.767 1.00 24.54 H new ATOM 0 HD1 TYR A 42 -13.968 2.253 1.774 1.00 2.51 H new ATOM 0 HD2 TYR A 42 -10.746 -0.529 2.074 1.00 52.14 H new ATOM 0 HE1 TYR A 42 -15.014 0.845 0.053 1.00 12.21 H new ATOM 0 HE2 TYR A 42 -11.799 -1.933 0.360 1.00 25.42 H new ATOM 0 HH TYR A 42 -14.567 -0.850 -1.475 1.00 71.04 H new ATOM 654 N ASN A 43 -8.832 1.748 1.808 1.00 54.25 N ATOM 655 CA ASN A 43 -7.907 1.125 0.848 1.00 25.22 C ATOM 656 C ASN A 43 -7.509 -0.289 1.300 1.00 73.34 C ATOM 657 O ASN A 43 -6.994 -0.473 2.402 1.00 30.24 O ATOM 658 CB ASN A 43 -6.648 1.984 0.683 1.00 12.32 C ATOM 659 CG ASN A 43 -6.916 3.265 -0.077 1.00 61.13 C ATOM 660 OD1 ASN A 43 -7.226 4.301 0.501 1.00 43.05 O ATOM 661 ND2 ASN A 43 -6.815 3.202 -1.386 1.00 21.20 N ATOM 0 H ASN A 43 -8.604 1.563 2.785 1.00 54.25 H new ATOM 0 HA ASN A 43 -8.423 1.052 -0.110 1.00 25.22 H new ATOM 0 HB2 ASN A 43 -6.246 2.226 1.667 1.00 12.32 H new ATOM 0 HB3 ASN A 43 -5.885 1.408 0.160 1.00 12.32 H new ATOM 0 HD21 ASN A 43 -6.997 4.031 -1.952 1.00 21.20 H new ATOM 0 HD22 ASN A 43 -6.555 2.324 -1.836 1.00 21.20 H new ATOM 668 N LEU A 44 -7.743 -1.285 0.451 1.00 44.05 N ATOM 669 CA LEU A 44 -7.377 -2.671 0.768 1.00 64.32 C ATOM 670 C LEU A 44 -6.020 -3.033 0.148 1.00 43.44 C ATOM 671 O LEU A 44 -5.916 -3.261 -1.061 1.00 11.45 O ATOM 672 CB LEU A 44 -8.454 -3.648 0.271 1.00 52.31 C ATOM 673 CG LEU A 44 -8.180 -5.135 0.567 1.00 70.14 C ATOM 674 CD1 LEU A 44 -8.133 -5.389 2.075 1.00 65.53 C ATOM 675 CD2 LEU A 44 -9.227 -6.024 -0.108 1.00 42.43 C ATOM 0 H LEU A 44 -8.183 -1.164 -0.461 1.00 44.05 H new ATOM 0 HA LEU A 44 -7.301 -2.754 1.852 1.00 64.32 H new ATOM 0 HB2 LEU A 44 -9.407 -3.374 0.724 1.00 52.31 H new ATOM 0 HB3 LEU A 44 -8.565 -3.523 -0.806 1.00 52.31 H new ATOM 0 HG LEU A 44 -7.205 -5.391 0.153 1.00 70.14 H new ATOM 0 HD11 LEU A 44 -7.938 -6.445 2.260 1.00 65.53 H new ATOM 0 HD12 LEU A 44 -7.338 -4.790 2.520 1.00 65.53 H new ATOM 0 HD13 LEU A 44 -9.089 -5.113 2.520 1.00 65.53 H new ATOM 0 HD21 LEU A 44 -9.014 -7.070 0.114 1.00 42.43 H new ATOM 0 HD22 LEU A 44 -10.218 -5.768 0.267 1.00 42.43 H new ATOM 0 HD23 LEU A 44 -9.196 -5.869 -1.186 1.00 42.43 H new ATOM 687 N MET A 45 -4.987 -3.080 0.982 1.00 54.33 N ATOM 688 CA MET A 45 -3.632 -3.401 0.523 1.00 41.43 C ATOM 689 C MET A 45 -3.330 -4.902 0.683 1.00 51.44 C ATOM 690 O MET A 45 -3.516 -5.471 1.760 1.00 34.20 O ATOM 691 CB MET A 45 -2.608 -2.575 1.309 1.00 65.13 C ATOM 692 CG MET A 45 -2.828 -1.069 1.220 1.00 13.33 C ATOM 693 SD MET A 45 -2.678 -0.437 -0.464 1.00 60.14 S ATOM 694 CE MET A 45 -0.970 -0.829 -0.835 1.00 24.21 C ATOM 0 H MET A 45 -5.058 -2.900 1.983 1.00 54.33 H new ATOM 0 HA MET A 45 -3.564 -3.154 -0.536 1.00 41.43 H new ATOM 0 HB2 MET A 45 -2.641 -2.876 2.356 1.00 65.13 H new ATOM 0 HB3 MET A 45 -1.609 -2.808 0.941 1.00 65.13 H new ATOM 0 HG2 MET A 45 -3.818 -0.828 1.607 1.00 13.33 H new ATOM 0 HG3 MET A 45 -2.104 -0.563 1.859 1.00 13.33 H new ATOM 0 HE1 MET A 45 -0.648 -0.261 -1.707 1.00 24.21 H new ATOM 0 HE2 MET A 45 -0.344 -0.570 0.019 1.00 24.21 H new ATOM 0 HE3 MET A 45 -0.878 -1.895 -1.042 1.00 24.21 H new ATOM 704 N GLU A 46 -2.856 -5.536 -0.390 1.00 5.30 N ATOM 705 CA GLU A 46 -2.553 -6.972 -0.373 1.00 34.30 C ATOM 706 C GLU A 46 -1.054 -7.245 -0.565 1.00 13.21 C ATOM 707 O GLU A 46 -0.469 -6.880 -1.587 1.00 53.04 O ATOM 708 CB GLU A 46 -3.364 -7.698 -1.463 1.00 42.32 C ATOM 709 CG GLU A 46 -3.021 -9.183 -1.606 1.00 31.12 C ATOM 710 CD GLU A 46 -3.891 -9.903 -2.627 1.00 12.21 C ATOM 711 OE1 GLU A 46 -3.806 -9.575 -3.825 1.00 30.32 O ATOM 712 OE2 GLU A 46 -4.681 -10.789 -2.227 1.00 11.40 O ATOM 0 H GLU A 46 -2.673 -5.080 -1.284 1.00 5.30 H new ATOM 0 HA GLU A 46 -2.836 -7.355 0.608 1.00 34.30 H new ATOM 0 HB2 GLU A 46 -4.426 -7.601 -1.237 1.00 42.32 H new ATOM 0 HB3 GLU A 46 -3.194 -7.202 -2.419 1.00 42.32 H new ATOM 0 HG2 GLU A 46 -1.975 -9.282 -1.896 1.00 31.12 H new ATOM 0 HG3 GLU A 46 -3.131 -9.670 -0.637 1.00 31.12 H new ATOM 719 N VAL A 47 -0.439 -7.874 0.435 1.00 51.35 N ATOM 720 CA VAL A 47 0.943 -8.359 0.324 1.00 3.02 C ATOM 721 C VAL A 47 0.951 -9.883 0.128 1.00 24.01 C ATOM 722 O VAL A 47 0.536 -10.628 1.016 1.00 71.41 O ATOM 723 CB VAL A 47 1.774 -8.008 1.590 1.00 35.41 C ATOM 724 CG1 VAL A 47 3.245 -8.388 1.400 1.00 45.11 C ATOM 725 CG2 VAL A 47 1.633 -6.527 1.940 1.00 62.31 C ATOM 0 H VAL A 47 -0.876 -8.062 1.337 1.00 51.35 H new ATOM 0 HA VAL A 47 1.396 -7.867 -0.537 1.00 3.02 H new ATOM 0 HB VAL A 47 1.382 -8.590 2.424 1.00 35.41 H new ATOM 0 HG11 VAL A 47 3.806 -8.133 2.299 1.00 45.11 H new ATOM 0 HG12 VAL A 47 3.323 -9.459 1.216 1.00 45.11 H new ATOM 0 HG13 VAL A 47 3.655 -7.843 0.550 1.00 45.11 H new ATOM 0 HG21 VAL A 47 2.223 -6.305 2.829 1.00 62.31 H new ATOM 0 HG22 VAL A 47 1.990 -5.921 1.107 1.00 62.31 H new ATOM 0 HG23 VAL A 47 0.585 -6.297 2.134 1.00 62.31 H new ATOM 735 N ASP A 48 1.402 -10.354 -1.032 1.00 32.24 N ATOM 736 CA ASP A 48 1.379 -11.791 -1.335 1.00 54.42 C ATOM 737 C ASP A 48 2.710 -12.280 -1.928 1.00 71.15 C ATOM 738 O ASP A 48 2.921 -12.225 -3.135 1.00 43.03 O ATOM 739 CB ASP A 48 0.215 -12.107 -2.285 1.00 41.32 C ATOM 740 CG ASP A 48 0.173 -13.572 -2.692 1.00 64.14 C ATOM 741 OD1 ASP A 48 -0.056 -14.431 -1.816 1.00 4.53 O ATOM 742 OD2 ASP A 48 0.359 -13.870 -3.893 1.00 25.03 O ATOM 0 H ASP A 48 1.786 -9.771 -1.775 1.00 32.24 H new ATOM 0 HA ASP A 48 1.234 -12.325 -0.396 1.00 54.42 H new ATOM 0 HB2 ASP A 48 -0.725 -11.841 -1.802 1.00 41.32 H new ATOM 0 HB3 ASP A 48 0.301 -11.488 -3.178 1.00 41.32 H new ATOM 747 N GLY A 49 3.605 -12.753 -1.067 1.00 44.53 N ATOM 748 CA GLY A 49 4.875 -13.311 -1.523 1.00 60.52 C ATOM 749 C GLY A 49 5.882 -12.267 -2.007 1.00 62.22 C ATOM 750 O GLY A 49 6.205 -12.213 -3.195 1.00 72.20 O ATOM 0 H GLY A 49 3.477 -12.762 -0.055 1.00 44.53 H new ATOM 0 HA2 GLY A 49 5.322 -13.880 -0.708 1.00 60.52 H new ATOM 0 HA3 GLY A 49 4.680 -14.014 -2.333 1.00 60.52 H new ATOM 754 N GLU A 50 6.383 -11.445 -1.079 1.00 31.24 N ATOM 755 CA GLU A 50 7.440 -10.456 -1.374 1.00 33.54 C ATOM 756 C GLU A 50 7.010 -9.423 -2.438 1.00 10.13 C ATOM 757 O GLU A 50 7.847 -8.845 -3.137 1.00 0.34 O ATOM 758 CB GLU A 50 8.721 -11.183 -1.812 1.00 21.43 C ATOM 759 CG GLU A 50 9.202 -12.221 -0.801 1.00 34.55 C ATOM 760 CD GLU A 50 10.428 -12.982 -1.276 1.00 40.51 C ATOM 761 OE1 GLU A 50 11.559 -12.515 -1.016 1.00 53.01 O ATOM 762 OE2 GLU A 50 10.269 -14.049 -1.907 1.00 3.31 O ATOM 0 H GLU A 50 6.074 -11.441 -0.107 1.00 31.24 H new ATOM 0 HA GLU A 50 7.630 -9.896 -0.458 1.00 33.54 H new ATOM 0 HB2 GLU A 50 8.543 -11.673 -2.769 1.00 21.43 H new ATOM 0 HB3 GLU A 50 9.511 -10.449 -1.972 1.00 21.43 H new ATOM 0 HG2 GLU A 50 9.431 -11.724 0.142 1.00 34.55 H new ATOM 0 HG3 GLU A 50 8.396 -12.927 -0.601 1.00 34.55 H new ATOM 769 N ARG A 51 5.706 -9.180 -2.535 1.00 52.31 N ATOM 770 CA ARG A 51 5.153 -8.189 -3.470 1.00 42.53 C ATOM 771 C ARG A 51 3.865 -7.572 -2.895 1.00 13.21 C ATOM 772 O ARG A 51 3.143 -8.230 -2.139 1.00 52.13 O ATOM 773 CB ARG A 51 4.859 -8.853 -4.824 1.00 34.21 C ATOM 774 CG ARG A 51 3.915 -10.041 -4.708 1.00 60.41 C ATOM 775 CD ARG A 51 3.624 -10.715 -6.045 1.00 45.40 C ATOM 776 NE ARG A 51 2.673 -11.813 -5.874 1.00 21.35 N ATOM 777 CZ ARG A 51 1.902 -12.290 -6.813 1.00 43.15 C ATOM 778 NH1 ARG A 51 1.975 -11.846 -8.029 1.00 23.44 N ATOM 779 NH2 ARG A 51 1.058 -13.227 -6.529 1.00 5.31 N ATOM 0 H ARG A 51 5.001 -9.658 -1.974 1.00 52.31 H new ATOM 0 HA ARG A 51 5.886 -7.396 -3.614 1.00 42.53 H new ATOM 0 HB2 ARG A 51 4.425 -8.115 -5.498 1.00 34.21 H new ATOM 0 HB3 ARG A 51 5.796 -9.182 -5.273 1.00 34.21 H new ATOM 0 HG2 ARG A 51 4.347 -10.774 -4.026 1.00 60.41 H new ATOM 0 HG3 ARG A 51 2.976 -9.708 -4.265 1.00 60.41 H new ATOM 0 HD2 ARG A 51 3.221 -9.984 -6.746 1.00 45.40 H new ATOM 0 HD3 ARG A 51 4.551 -11.094 -6.476 1.00 45.40 H new ATOM 0 HE ARG A 51 2.607 -12.239 -4.950 1.00 21.35 H new ATOM 0 HH11 ARG A 51 2.643 -11.112 -8.265 1.00 23.44 H new ATOM 0 HH12 ARG A 51 1.364 -12.231 -8.750 1.00 23.44 H new ATOM 0 HH21 ARG A 51 0.998 -13.588 -5.577 1.00 5.31 H new ATOM 0 HH22 ARG A 51 0.452 -13.605 -7.257 1.00 5.31 H new ATOM 793 N ILE A 52 3.570 -6.320 -3.253 1.00 44.14 N ATOM 794 CA ILE A 52 2.399 -5.618 -2.701 1.00 64.54 C ATOM 795 C ILE A 52 1.594 -4.884 -3.790 1.00 21.34 C ATOM 796 O ILE A 52 2.138 -4.488 -4.822 1.00 10.12 O ATOM 797 CB ILE A 52 2.831 -4.606 -1.603 1.00 3.14 C ATOM 798 CG1 ILE A 52 1.603 -3.980 -0.914 1.00 33.23 C ATOM 799 CG2 ILE A 52 3.732 -3.521 -2.196 1.00 61.32 C ATOM 800 CD1 ILE A 52 1.948 -3.033 0.220 1.00 40.44 C ATOM 0 H ILE A 52 4.118 -5.772 -3.916 1.00 44.14 H new ATOM 0 HA ILE A 52 1.755 -6.380 -2.262 1.00 64.54 H new ATOM 0 HB ILE A 52 3.399 -5.149 -0.847 1.00 3.14 H new ATOM 0 HG12 ILE A 52 1.017 -3.441 -1.658 1.00 33.23 H new ATOM 0 HG13 ILE A 52 0.970 -4.778 -0.527 1.00 33.23 H new ATOM 0 HG21 ILE A 52 4.024 -2.822 -1.412 1.00 61.32 H new ATOM 0 HG22 ILE A 52 4.623 -3.981 -2.622 1.00 61.32 H new ATOM 0 HG23 ILE A 52 3.191 -2.986 -2.977 1.00 61.32 H new ATOM 0 HD11 ILE A 52 1.031 -2.634 0.653 1.00 40.44 H new ATOM 0 HD12 ILE A 52 2.507 -3.571 0.986 1.00 40.44 H new ATOM 0 HD13 ILE A 52 2.555 -2.212 -0.163 1.00 40.44 H new ATOM 812 N ARG A 53 0.288 -4.728 -3.554 1.00 43.43 N ATOM 813 CA ARG A 53 -0.593 -3.977 -4.462 1.00 73.12 C ATOM 814 C ARG A 53 -1.850 -3.468 -3.735 1.00 34.45 C ATOM 815 O ARG A 53 -2.140 -3.874 -2.606 1.00 51.43 O ATOM 816 CB ARG A 53 -1.037 -4.854 -5.642 1.00 20.43 C ATOM 817 CG ARG A 53 -1.933 -6.021 -5.228 1.00 43.21 C ATOM 818 CD ARG A 53 -2.637 -6.654 -6.422 1.00 65.14 C ATOM 819 NE ARG A 53 -3.434 -7.814 -6.029 1.00 45.43 N ATOM 820 CZ ARG A 53 -4.357 -8.364 -6.770 1.00 20.32 C ATOM 821 NH1 ARG A 53 -4.679 -7.863 -7.920 1.00 60.23 N ATOM 822 NH2 ARG A 53 -4.963 -9.417 -6.344 1.00 74.54 N ATOM 0 H ARG A 53 -0.187 -5.113 -2.738 1.00 43.43 H new ATOM 0 HA ARG A 53 -0.018 -3.126 -4.826 1.00 73.12 H new ATOM 0 HB2 ARG A 53 -1.569 -4.235 -6.365 1.00 20.43 H new ATOM 0 HB3 ARG A 53 -0.154 -5.245 -6.147 1.00 20.43 H new ATOM 0 HG2 ARG A 53 -1.333 -6.776 -4.719 1.00 43.21 H new ATOM 0 HG3 ARG A 53 -2.677 -5.670 -4.513 1.00 43.21 H new ATOM 0 HD2 ARG A 53 -3.281 -5.915 -6.898 1.00 65.14 H new ATOM 0 HD3 ARG A 53 -1.896 -6.956 -7.163 1.00 65.14 H new ATOM 0 HE ARG A 53 -3.257 -8.222 -5.111 1.00 45.43 H new ATOM 0 HH11 ARG A 53 -4.209 -7.024 -8.261 1.00 60.23 H new ATOM 0 HH12 ARG A 53 -5.403 -8.307 -8.485 1.00 60.23 H new ATOM 0 HH21 ARG A 53 -4.720 -9.813 -5.436 1.00 74.54 H new ATOM 0 HH22 ARG A 53 -5.686 -9.855 -6.915 1.00 74.54 H new ATOM 836 N ILE A 54 -2.595 -2.580 -4.392 1.00 72.32 N ATOM 837 CA ILE A 54 -3.927 -2.184 -3.921 1.00 34.33 C ATOM 838 C ILE A 54 -4.989 -3.080 -4.576 1.00 64.34 C ATOM 839 O ILE A 54 -5.228 -2.993 -5.782 1.00 60.10 O ATOM 840 CB ILE A 54 -4.242 -0.698 -4.244 1.00 30.14 C ATOM 841 CG1 ILE A 54 -3.165 0.220 -3.642 1.00 1.23 C ATOM 842 CG2 ILE A 54 -5.635 -0.314 -3.731 1.00 33.34 C ATOM 843 CD1 ILE A 54 -3.394 1.696 -3.902 1.00 2.11 C ATOM 0 H ILE A 54 -2.301 -2.119 -5.253 1.00 72.32 H new ATOM 0 HA ILE A 54 -3.942 -2.302 -2.837 1.00 34.33 H new ATOM 0 HB ILE A 54 -4.236 -0.571 -5.327 1.00 30.14 H new ATOM 0 HG12 ILE A 54 -3.122 0.054 -2.566 1.00 1.23 H new ATOM 0 HG13 ILE A 54 -2.194 -0.063 -4.047 1.00 1.23 H new ATOM 0 HG21 ILE A 54 -5.835 0.731 -3.968 1.00 33.34 H new ATOM 0 HG22 ILE A 54 -6.385 -0.944 -4.209 1.00 33.34 H new ATOM 0 HG23 ILE A 54 -5.677 -0.455 -2.651 1.00 33.34 H new ATOM 0 HD11 ILE A 54 -2.591 2.275 -3.445 1.00 2.11 H new ATOM 0 HD12 ILE A 54 -3.407 1.879 -4.977 1.00 2.11 H new ATOM 0 HD13 ILE A 54 -4.349 1.997 -3.472 1.00 2.11 H new ATOM 855 N LYS A 55 -5.612 -3.950 -3.788 1.00 4.52 N ATOM 856 CA LYS A 55 -6.554 -4.938 -4.331 1.00 15.44 C ATOM 857 C LYS A 55 -7.975 -4.367 -4.451 1.00 21.11 C ATOM 858 O LYS A 55 -8.684 -4.640 -5.423 1.00 3.02 O ATOM 859 CB LYS A 55 -6.555 -6.201 -3.459 1.00 54.25 C ATOM 860 CG LYS A 55 -7.284 -7.384 -4.090 1.00 65.41 C ATOM 861 CD LYS A 55 -7.071 -8.667 -3.292 1.00 53.42 C ATOM 862 CE LYS A 55 -7.593 -9.894 -4.035 1.00 15.11 C ATOM 863 NZ LYS A 55 -7.212 -11.161 -3.350 1.00 11.13 N ATOM 0 H LYS A 55 -5.487 -3.996 -2.777 1.00 4.52 H new ATOM 0 HA LYS A 55 -6.221 -5.197 -5.336 1.00 15.44 H new ATOM 0 HB2 LYS A 55 -5.524 -6.489 -3.252 1.00 54.25 H new ATOM 0 HB3 LYS A 55 -7.019 -5.969 -2.501 1.00 54.25 H new ATOM 0 HG2 LYS A 55 -8.350 -7.165 -4.150 1.00 65.41 H new ATOM 0 HG3 LYS A 55 -6.930 -7.527 -5.111 1.00 65.41 H new ATOM 0 HD2 LYS A 55 -6.008 -8.793 -3.085 1.00 53.42 H new ATOM 0 HD3 LYS A 55 -7.576 -8.584 -2.330 1.00 53.42 H new ATOM 0 HE2 LYS A 55 -8.679 -9.836 -4.114 1.00 15.11 H new ATOM 0 HE3 LYS A 55 -7.199 -9.898 -5.051 1.00 15.11 H new ATOM 0 HZ1 LYS A 55 -7.274 -11.952 -4.023 1.00 11.13 H new ATOM 0 HZ2 LYS A 55 -6.238 -11.084 -2.995 1.00 11.13 H new ATOM 0 HZ3 LYS A 55 -7.858 -11.333 -2.553 1.00 11.13 H new ATOM 877 N GLU A 56 -8.383 -3.576 -3.464 1.00 60.05 N ATOM 878 CA GLU A 56 -9.710 -2.946 -3.467 1.00 34.31 C ATOM 879 C GLU A 56 -9.623 -1.494 -2.971 1.00 2.22 C ATOM 880 O GLU A 56 -8.804 -1.171 -2.110 1.00 34.44 O ATOM 881 CB GLU A 56 -10.689 -3.756 -2.603 1.00 11.15 C ATOM 882 CG GLU A 56 -12.114 -3.212 -2.585 1.00 74.04 C ATOM 883 CD GLU A 56 -12.759 -3.175 -3.966 1.00 61.30 C ATOM 884 OE1 GLU A 56 -13.326 -4.199 -4.394 1.00 24.32 O ATOM 885 OE2 GLU A 56 -12.715 -2.113 -4.622 1.00 45.11 O ATOM 0 H GLU A 56 -7.816 -3.352 -2.647 1.00 60.05 H new ATOM 0 HA GLU A 56 -10.083 -2.933 -4.491 1.00 34.31 H new ATOM 0 HB2 GLU A 56 -10.710 -4.784 -2.966 1.00 11.15 H new ATOM 0 HB3 GLU A 56 -10.312 -3.787 -1.581 1.00 11.15 H new ATOM 0 HG2 GLU A 56 -12.723 -3.828 -1.923 1.00 74.04 H new ATOM 0 HG3 GLU A 56 -12.107 -2.205 -2.167 1.00 74.04 H new ATOM 892 N ASP A 57 -10.475 -0.631 -3.511 1.00 74.00 N ATOM 893 CA ASP A 57 -10.425 0.806 -3.232 1.00 33.22 C ATOM 894 C ASP A 57 -11.695 1.499 -3.763 1.00 44.23 C ATOM 895 O ASP A 57 -12.197 1.148 -4.828 1.00 1.11 O ATOM 896 CB ASP A 57 -9.144 1.386 -3.869 1.00 23.53 C ATOM 897 CG ASP A 57 -9.176 2.889 -4.087 1.00 63.10 C ATOM 898 OD1 ASP A 57 -9.657 3.328 -5.149 1.00 34.34 O ATOM 899 OD2 ASP A 57 -8.709 3.640 -3.208 1.00 72.34 O ATOM 0 H ASP A 57 -11.219 -0.903 -4.153 1.00 74.00 H new ATOM 0 HA ASP A 57 -10.393 0.983 -2.157 1.00 33.22 H new ATOM 0 HB2 ASP A 57 -8.294 1.142 -3.232 1.00 23.53 H new ATOM 0 HB3 ASP A 57 -8.976 0.896 -4.828 1.00 23.53 H new ATOM 904 N ASN A 58 -12.236 2.459 -3.008 1.00 64.04 N ATOM 905 CA ASN A 58 -13.466 3.157 -3.424 1.00 34.42 C ATOM 906 C ASN A 58 -13.192 4.595 -3.902 1.00 31.33 C ATOM 907 O ASN A 58 -13.980 5.508 -3.645 1.00 3.51 O ATOM 908 CB ASN A 58 -14.511 3.154 -2.292 1.00 45.13 C ATOM 909 CG ASN A 58 -14.036 3.837 -1.021 1.00 74.31 C ATOM 910 OD1 ASN A 58 -12.866 3.774 -0.665 1.00 60.42 O ATOM 911 ND2 ASN A 58 -14.939 4.507 -0.333 1.00 62.12 N ATOM 0 H ASN A 58 -11.852 2.771 -2.116 1.00 64.04 H new ATOM 0 HA ASN A 58 -13.868 2.606 -4.274 1.00 34.42 H new ATOM 0 HB2 ASN A 58 -15.416 3.649 -2.644 1.00 45.13 H new ATOM 0 HB3 ASN A 58 -14.781 2.123 -2.061 1.00 45.13 H new ATOM 0 HD21 ASN A 58 -14.671 4.992 0.523 1.00 62.12 H new ATOM 0 HD22 ASN A 58 -15.906 4.540 -0.657 1.00 62.12 H new ATOM 918 N SER A 59 -12.081 4.798 -4.606 1.00 42.05 N ATOM 919 CA SER A 59 -11.799 6.090 -5.250 1.00 1.44 C ATOM 920 C SER A 59 -12.497 6.160 -6.615 1.00 72.33 C ATOM 921 O SER A 59 -12.486 5.192 -7.368 1.00 72.23 O ATOM 922 CB SER A 59 -10.287 6.297 -5.447 1.00 75.32 C ATOM 923 OG SER A 59 -9.583 6.230 -4.217 1.00 3.24 O ATOM 0 H SER A 59 -11.360 4.091 -4.748 1.00 42.05 H new ATOM 0 HA SER A 59 -12.178 6.876 -4.597 1.00 1.44 H new ATOM 0 HB2 SER A 59 -9.902 5.539 -6.128 1.00 75.32 H new ATOM 0 HB3 SER A 59 -10.110 7.265 -5.915 1.00 75.32 H new ATOM 0 HG SER A 59 -9.349 5.298 -4.024 1.00 3.24 H new ATOM 929 N PRO A 60 -13.095 7.309 -6.970 1.00 61.20 N ATOM 930 CA PRO A 60 -13.804 7.466 -8.259 1.00 21.54 C ATOM 931 C PRO A 60 -12.901 7.179 -9.476 1.00 61.52 C ATOM 932 O PRO A 60 -13.379 6.803 -10.548 1.00 1.43 O ATOM 933 CB PRO A 60 -14.256 8.939 -8.242 1.00 71.11 C ATOM 934 CG PRO A 60 -13.416 9.598 -7.194 1.00 74.10 C ATOM 935 CD PRO A 60 -13.133 8.541 -6.166 1.00 41.42 C ATOM 0 HA PRO A 60 -14.627 6.758 -8.358 1.00 21.54 H new ATOM 0 HB2 PRO A 60 -14.109 9.407 -9.215 1.00 71.11 H new ATOM 0 HB3 PRO A 60 -15.317 9.022 -8.005 1.00 71.11 H new ATOM 0 HG2 PRO A 60 -12.491 9.984 -7.621 1.00 74.10 H new ATOM 0 HG3 PRO A 60 -13.940 10.444 -6.750 1.00 74.10 H new ATOM 0 HD2 PRO A 60 -12.188 8.719 -5.652 1.00 41.42 H new ATOM 0 HD3 PRO A 60 -13.909 8.502 -5.401 1.00 41.42 H new ATOM 943 N ASP A 61 -11.593 7.361 -9.297 1.00 23.21 N ATOM 944 CA ASP A 61 -10.612 7.083 -10.351 1.00 4.24 C ATOM 945 C ASP A 61 -10.206 5.596 -10.383 1.00 30.14 C ATOM 946 O ASP A 61 -9.896 5.055 -11.444 1.00 50.13 O ATOM 947 CB ASP A 61 -9.375 7.958 -10.146 1.00 23.12 C ATOM 948 CG ASP A 61 -9.728 9.433 -10.101 1.00 21.24 C ATOM 949 OD1 ASP A 61 -9.788 10.069 -11.173 1.00 4.42 O ATOM 950 OD2 ASP A 61 -9.956 9.961 -8.990 1.00 4.21 O ATOM 0 H ASP A 61 -11.184 7.702 -8.427 1.00 23.21 H new ATOM 0 HA ASP A 61 -11.077 7.316 -11.309 1.00 4.24 H new ATOM 0 HB2 ASP A 61 -8.879 7.675 -9.217 1.00 23.12 H new ATOM 0 HB3 ASP A 61 -8.665 7.779 -10.954 1.00 23.12 H new ATOM 955 N GLN A 62 -10.192 4.948 -9.211 1.00 34.30 N ATOM 956 CA GLN A 62 -9.847 3.515 -9.095 1.00 50.53 C ATOM 957 C GLN A 62 -8.429 3.189 -9.610 1.00 4.22 C ATOM 958 O GLN A 62 -8.081 2.021 -9.783 1.00 11.12 O ATOM 959 CB GLN A 62 -10.880 2.661 -9.850 1.00 31.34 C ATOM 960 CG GLN A 62 -12.274 2.709 -9.240 1.00 14.42 C ATOM 961 CD GLN A 62 -12.327 2.065 -7.865 1.00 3.55 C ATOM 962 OE1 GLN A 62 -11.611 1.109 -7.585 1.00 54.13 O ATOM 963 NE2 GLN A 62 -13.159 2.590 -6.992 1.00 73.43 N ATOM 0 H GLN A 62 -10.416 5.393 -8.321 1.00 34.30 H new ATOM 0 HA GLN A 62 -9.863 3.276 -8.032 1.00 50.53 H new ATOM 0 HB2 GLN A 62 -10.933 3.001 -10.884 1.00 31.34 H new ATOM 0 HB3 GLN A 62 -10.537 1.626 -9.872 1.00 31.34 H new ATOM 0 HG2 GLN A 62 -12.599 3.747 -9.165 1.00 14.42 H new ATOM 0 HG3 GLN A 62 -12.975 2.202 -9.903 1.00 14.42 H new ATOM 0 HE21 GLN A 62 -13.741 3.385 -7.256 1.00 73.43 H new ATOM 0 HE22 GLN A 62 -13.222 2.202 -6.051 1.00 73.43 H new ATOM 972 N VAL A 63 -7.610 4.219 -9.822 1.00 12.35 N ATOM 973 CA VAL A 63 -6.264 4.046 -10.389 1.00 55.23 C ATOM 974 C VAL A 63 -5.403 3.068 -9.572 1.00 53.40 C ATOM 975 O VAL A 63 -4.699 2.230 -10.138 1.00 0.12 O ATOM 976 CB VAL A 63 -5.533 5.409 -10.504 1.00 72.52 C ATOM 977 CG1 VAL A 63 -4.117 5.235 -11.054 1.00 42.24 C ATOM 978 CG2 VAL A 63 -6.335 6.368 -11.379 1.00 35.04 C ATOM 0 H VAL A 63 -7.852 5.187 -9.610 1.00 12.35 H new ATOM 0 HA VAL A 63 -6.401 3.621 -11.383 1.00 55.23 H new ATOM 0 HB VAL A 63 -5.451 5.833 -9.503 1.00 72.52 H new ATOM 0 HG11 VAL A 63 -3.631 6.208 -11.123 1.00 42.24 H new ATOM 0 HG12 VAL A 63 -3.545 4.590 -10.388 1.00 42.24 H new ATOM 0 HG13 VAL A 63 -4.164 4.783 -12.045 1.00 42.24 H new ATOM 0 HG21 VAL A 63 -5.810 7.321 -11.451 1.00 35.04 H new ATOM 0 HG22 VAL A 63 -6.450 5.941 -12.375 1.00 35.04 H new ATOM 0 HG23 VAL A 63 -7.318 6.528 -10.937 1.00 35.04 H new ATOM 988 N GLY A 64 -5.485 3.164 -8.244 1.00 3.44 N ATOM 989 CA GLY A 64 -4.688 2.301 -7.371 1.00 13.04 C ATOM 990 C GLY A 64 -4.832 0.811 -7.689 1.00 73.01 C ATOM 991 O GLY A 64 -3.844 0.076 -7.716 1.00 43.11 O ATOM 0 H GLY A 64 -6.089 3.824 -7.753 1.00 3.44 H new ATOM 0 HA2 GLY A 64 -3.638 2.583 -7.455 1.00 13.04 H new ATOM 0 HA3 GLY A 64 -4.982 2.474 -6.336 1.00 13.04 H new ATOM 995 N VAL A 65 -6.064 0.374 -7.950 1.00 43.12 N ATOM 996 CA VAL A 65 -6.335 -1.026 -8.303 1.00 51.33 C ATOM 997 C VAL A 65 -5.763 -1.375 -9.690 1.00 3.44 C ATOM 998 O VAL A 65 -5.308 -2.494 -9.929 1.00 13.12 O ATOM 999 CB VAL A 65 -7.858 -1.316 -8.288 1.00 50.13 C ATOM 1000 CG1 VAL A 65 -8.144 -2.788 -8.587 1.00 4.33 C ATOM 1001 CG2 VAL A 65 -8.476 -0.903 -6.950 1.00 62.23 C ATOM 0 H VAL A 65 -6.893 0.967 -7.924 1.00 43.12 H new ATOM 0 HA VAL A 65 -5.844 -1.647 -7.554 1.00 51.33 H new ATOM 0 HB VAL A 65 -8.319 -0.720 -9.076 1.00 50.13 H new ATOM 0 HG11 VAL A 65 -9.220 -2.960 -8.569 1.00 4.33 H new ATOM 0 HG12 VAL A 65 -7.752 -3.042 -9.572 1.00 4.33 H new ATOM 0 HG13 VAL A 65 -7.664 -3.412 -7.833 1.00 4.33 H new ATOM 0 HG21 VAL A 65 -9.545 -1.115 -6.962 1.00 62.23 H new ATOM 0 HG22 VAL A 65 -8.004 -1.463 -6.143 1.00 62.23 H new ATOM 0 HG23 VAL A 65 -8.320 0.164 -6.791 1.00 62.23 H new ATOM 1011 N LYS A 66 -5.774 -0.396 -10.593 1.00 34.30 N ATOM 1012 CA LYS A 66 -5.288 -0.583 -11.969 1.00 60.23 C ATOM 1013 C LYS A 66 -3.755 -0.676 -12.039 1.00 33.03 C ATOM 1014 O LYS A 66 -3.205 -1.308 -12.947 1.00 13.32 O ATOM 1015 CB LYS A 66 -5.791 0.560 -12.872 1.00 13.31 C ATOM 1016 CG LYS A 66 -7.225 0.385 -13.383 1.00 43.21 C ATOM 1017 CD LYS A 66 -8.235 0.157 -12.258 1.00 64.22 C ATOM 1018 CE LYS A 66 -9.666 0.091 -12.789 1.00 22.24 C ATOM 1019 NZ LYS A 66 -10.650 -0.236 -11.722 1.00 21.34 N ATOM 0 H LYS A 66 -6.117 0.545 -10.399 1.00 34.30 H new ATOM 0 HA LYS A 66 -5.688 -1.532 -12.326 1.00 60.23 H new ATOM 0 HB2 LYS A 66 -5.728 1.497 -12.319 1.00 13.31 H new ATOM 0 HB3 LYS A 66 -5.123 0.650 -13.728 1.00 13.31 H new ATOM 0 HG2 LYS A 66 -7.514 1.270 -13.950 1.00 43.21 H new ATOM 0 HG3 LYS A 66 -7.259 -0.459 -14.072 1.00 43.21 H new ATOM 0 HD2 LYS A 66 -7.997 -0.771 -11.737 1.00 64.22 H new ATOM 0 HD3 LYS A 66 -8.154 0.962 -11.528 1.00 64.22 H new ATOM 0 HE2 LYS A 66 -9.928 1.048 -13.241 1.00 22.24 H new ATOM 0 HE3 LYS A 66 -9.725 -0.660 -13.577 1.00 22.24 H new ATOM 0 HZ1 LYS A 66 -11.191 -1.081 -11.996 1.00 21.34 H new ATOM 0 HZ2 LYS A 66 -10.147 -0.421 -10.831 1.00 21.34 H new ATOM 0 HZ3 LYS A 66 -11.300 0.565 -11.592 1.00 21.34 H new ATOM 1033 N MET A 67 -3.067 -0.037 -11.088 1.00 14.24 N ATOM 1034 CA MET A 67 -1.594 -0.010 -11.071 1.00 53.02 C ATOM 1035 C MET A 67 -0.981 -1.422 -11.155 1.00 41.44 C ATOM 1036 O MET A 67 -0.057 -1.660 -11.938 1.00 63.34 O ATOM 1037 CB MET A 67 -1.082 0.700 -9.811 1.00 61.20 C ATOM 1038 CG MET A 67 -1.602 2.123 -9.649 1.00 42.14 C ATOM 1039 SD MET A 67 -1.263 3.172 -11.078 1.00 44.34 S ATOM 1040 CE MET A 67 0.530 3.215 -11.072 1.00 25.23 C ATOM 0 H MET A 67 -3.503 0.470 -10.318 1.00 14.24 H new ATOM 0 HA MET A 67 -1.279 0.543 -11.956 1.00 53.02 H new ATOM 0 HB2 MET A 67 -1.369 0.117 -8.936 1.00 61.20 H new ATOM 0 HB3 MET A 67 0.007 0.723 -9.836 1.00 61.20 H new ATOM 0 HG2 MET A 67 -2.678 2.092 -9.476 1.00 42.14 H new ATOM 0 HG3 MET A 67 -1.150 2.569 -8.763 1.00 42.14 H new ATOM 0 HE1 MET A 67 0.878 3.963 -11.784 1.00 25.23 H new ATOM 0 HE2 MET A 67 0.884 3.471 -10.074 1.00 25.23 H new ATOM 0 HE3 MET A 67 0.918 2.237 -11.355 1.00 25.23 H new ATOM 1050 N GLY A 68 -1.493 -2.350 -10.345 1.00 54.02 N ATOM 1051 CA GLY A 68 -1.010 -3.732 -10.379 1.00 72.15 C ATOM 1052 C GLY A 68 -0.007 -4.052 -9.272 1.00 51.40 C ATOM 1053 O GLY A 68 0.106 -3.313 -8.291 1.00 63.34 O ATOM 0 H GLY A 68 -2.233 -2.174 -9.665 1.00 54.02 H new ATOM 0 HA2 GLY A 68 -1.861 -4.408 -10.295 1.00 72.15 H new ATOM 0 HA3 GLY A 68 -0.545 -3.923 -11.346 1.00 72.15 H new ATOM 1057 N TRP A 69 0.720 -5.162 -9.426 1.00 45.23 N ATOM 1058 CA TRP A 69 1.714 -5.594 -8.428 1.00 13.21 C ATOM 1059 C TRP A 69 3.009 -4.765 -8.507 1.00 50.10 C ATOM 1060 O TRP A 69 3.500 -4.456 -9.594 1.00 61.13 O ATOM 1061 CB TRP A 69 2.058 -7.079 -8.617 1.00 20.41 C ATOM 1062 CG TRP A 69 0.923 -8.020 -8.327 1.00 21.43 C ATOM 1063 CD1 TRP A 69 0.059 -8.573 -9.229 1.00 23.33 C ATOM 1064 CD2 TRP A 69 0.535 -8.520 -7.042 1.00 44.22 C ATOM 1065 NE1 TRP A 69 -0.832 -9.395 -8.585 1.00 64.33 N ATOM 1066 CE2 TRP A 69 -0.562 -9.380 -7.243 1.00 14.20 C ATOM 1067 CE3 TRP A 69 1.013 -8.331 -5.743 1.00 70.41 C ATOM 1068 CZ2 TRP A 69 -1.190 -10.043 -6.191 1.00 35.22 C ATOM 1069 CZ3 TRP A 69 0.388 -8.988 -4.699 1.00 34.33 C ATOM 1070 CH2 TRP A 69 -0.701 -9.838 -4.930 1.00 64.43 C ATOM 0 H TRP A 69 0.642 -5.782 -10.232 1.00 45.23 H new ATOM 0 HA TRP A 69 1.264 -5.438 -7.447 1.00 13.21 H new ATOM 0 HB2 TRP A 69 2.390 -7.235 -9.643 1.00 20.41 H new ATOM 0 HB3 TRP A 69 2.897 -7.331 -7.969 1.00 20.41 H new ATOM 0 HD1 TRP A 69 0.075 -8.390 -10.293 1.00 23.33 H new ATOM 0 HE1 TRP A 69 -1.575 -9.930 -9.034 1.00 64.33 H new ATOM 0 HE3 TRP A 69 1.857 -7.683 -5.557 1.00 70.41 H new ATOM 0 HZ2 TRP A 69 -2.033 -10.696 -6.365 1.00 35.22 H new ATOM 0 HZ3 TRP A 69 0.745 -8.843 -3.690 1.00 34.33 H new ATOM 0 HH2 TRP A 69 -1.164 -10.342 -4.095 1.00 64.43 H new ATOM 1081 N LYS A 70 3.558 -4.417 -7.345 1.00 23.25 N ATOM 1082 CA LYS A 70 4.836 -3.699 -7.261 1.00 15.21 C ATOM 1083 C LYS A 70 5.817 -4.443 -6.335 1.00 43.11 C ATOM 1084 O LYS A 70 5.399 -5.069 -5.354 1.00 30.22 O ATOM 1085 CB LYS A 70 4.607 -2.269 -6.754 1.00 24.12 C ATOM 1086 CG LYS A 70 3.767 -1.406 -7.694 1.00 55.11 C ATOM 1087 CD LYS A 70 4.419 -1.278 -9.069 1.00 0.20 C ATOM 1088 CE LYS A 70 3.592 -0.425 -10.023 1.00 21.23 C ATOM 1089 NZ LYS A 70 4.199 -0.367 -11.376 1.00 22.54 N ATOM 0 H LYS A 70 3.136 -4.621 -6.439 1.00 23.25 H new ATOM 0 HA LYS A 70 5.273 -3.653 -8.259 1.00 15.21 H new ATOM 0 HB2 LYS A 70 4.117 -2.313 -5.782 1.00 24.12 H new ATOM 0 HB3 LYS A 70 5.574 -1.789 -6.602 1.00 24.12 H new ATOM 0 HG2 LYS A 70 2.774 -1.843 -7.800 1.00 55.11 H new ATOM 0 HG3 LYS A 70 3.635 -0.415 -7.259 1.00 55.11 H new ATOM 0 HD2 LYS A 70 5.411 -0.839 -8.959 1.00 0.20 H new ATOM 0 HD3 LYS A 70 4.556 -2.271 -9.498 1.00 0.20 H new ATOM 0 HE2 LYS A 70 2.584 -0.833 -10.094 1.00 21.23 H new ATOM 0 HE3 LYS A 70 3.500 0.584 -9.622 1.00 21.23 H new ATOM 0 HZ1 LYS A 70 3.608 0.222 -11.997 1.00 22.54 H new ATOM 0 HZ2 LYS A 70 5.152 0.045 -11.312 1.00 22.54 H new ATOM 0 HZ3 LYS A 70 4.263 -1.328 -11.769 1.00 22.54 H new ATOM 1103 N SER A 71 7.117 -4.379 -6.646 1.00 44.44 N ATOM 1104 CA SER A 71 8.130 -5.129 -5.872 1.00 2.53 C ATOM 1105 C SER A 71 9.574 -4.767 -6.273 1.00 14.31 C ATOM 1106 O SER A 71 10.490 -5.574 -6.108 1.00 41.04 O ATOM 1107 CB SER A 71 7.919 -6.643 -6.052 1.00 22.21 C ATOM 1108 OG SER A 71 8.047 -7.033 -7.417 1.00 50.15 O ATOM 0 H SER A 71 7.495 -3.826 -7.415 1.00 44.44 H new ATOM 0 HA SER A 71 7.997 -4.848 -4.827 1.00 2.53 H new ATOM 0 HB2 SER A 71 8.646 -7.186 -5.448 1.00 22.21 H new ATOM 0 HB3 SER A 71 6.930 -6.919 -5.686 1.00 22.21 H new ATOM 0 HG SER A 71 7.909 -8.000 -7.495 1.00 50.15 H new ATOM 1114 N LYS A 72 9.776 -3.555 -6.785 1.00 64.42 N ATOM 1115 CA LYS A 72 11.112 -3.088 -7.191 1.00 12.34 C ATOM 1116 C LYS A 72 11.475 -1.762 -6.500 1.00 51.33 C ATOM 1117 O LYS A 72 10.607 -0.923 -6.254 1.00 41.13 O ATOM 1118 CB LYS A 72 11.164 -2.902 -8.716 1.00 30.51 C ATOM 1119 CG LYS A 72 10.919 -4.184 -9.512 1.00 31.24 C ATOM 1120 CD LYS A 72 12.063 -5.187 -9.362 1.00 70.30 C ATOM 1121 CE LYS A 72 13.371 -4.649 -9.932 1.00 14.13 C ATOM 1122 NZ LYS A 72 14.474 -5.642 -9.841 1.00 3.20 N ATOM 0 H LYS A 72 9.033 -2.872 -6.931 1.00 64.42 H new ATOM 0 HA LYS A 72 11.836 -3.844 -6.887 1.00 12.34 H new ATOM 0 HB2 LYS A 72 10.420 -2.160 -9.006 1.00 30.51 H new ATOM 0 HB3 LYS A 72 12.139 -2.499 -8.989 1.00 30.51 H new ATOM 0 HG2 LYS A 72 9.989 -4.644 -9.178 1.00 31.24 H new ATOM 0 HG3 LYS A 72 10.792 -3.936 -10.566 1.00 31.24 H new ATOM 0 HD2 LYS A 72 12.199 -5.428 -8.308 1.00 70.30 H new ATOM 0 HD3 LYS A 72 11.801 -6.115 -9.870 1.00 70.30 H new ATOM 0 HE2 LYS A 72 13.223 -4.368 -10.975 1.00 14.13 H new ATOM 0 HE3 LYS A 72 13.654 -3.744 -9.395 1.00 14.13 H new ATOM 0 HZ1 LYS A 72 15.343 -5.233 -10.240 1.00 3.20 H new ATOM 0 HZ2 LYS A 72 14.635 -5.892 -8.844 1.00 3.20 H new ATOM 0 HZ3 LYS A 72 14.217 -6.497 -10.375 1.00 3.20 H new ATOM 1136 N ALA A 73 12.764 -1.573 -6.196 1.00 11.23 N ATOM 1137 CA ALA A 73 13.238 -0.333 -5.565 1.00 74.30 C ATOM 1138 C ALA A 73 12.970 0.894 -6.453 1.00 63.03 C ATOM 1139 O ALA A 73 13.744 1.203 -7.363 1.00 44.43 O ATOM 1140 CB ALA A 73 14.725 -0.441 -5.230 1.00 23.42 C ATOM 0 H ALA A 73 13.497 -2.260 -6.375 1.00 11.23 H new ATOM 0 HA ALA A 73 12.678 -0.196 -4.640 1.00 74.30 H new ATOM 0 HB1 ALA A 73 15.061 0.485 -4.763 1.00 23.42 H new ATOM 0 HB2 ALA A 73 14.884 -1.272 -4.543 1.00 23.42 H new ATOM 0 HB3 ALA A 73 15.292 -0.613 -6.145 1.00 23.42 H new ATOM 1146 N GLY A 74 11.866 1.585 -6.179 1.00 62.21 N ATOM 1147 CA GLY A 74 11.473 2.735 -6.985 1.00 72.04 C ATOM 1148 C GLY A 74 9.976 2.774 -7.274 1.00 33.31 C ATOM 1149 O GLY A 74 9.431 3.822 -7.623 1.00 61.53 O ATOM 0 H GLY A 74 11.232 1.369 -5.410 1.00 62.21 H new ATOM 0 HA2 GLY A 74 11.762 3.650 -6.468 1.00 72.04 H new ATOM 0 HA3 GLY A 74 12.019 2.715 -7.928 1.00 72.04 H new ATOM 1153 N ASP A 75 9.309 1.627 -7.139 1.00 23.21 N ATOM 1154 CA ASP A 75 7.863 1.542 -7.366 1.00 25.44 C ATOM 1155 C ASP A 75 7.080 2.390 -6.350 1.00 30.33 C ATOM 1156 O ASP A 75 7.166 2.174 -5.140 1.00 54.42 O ATOM 1157 CB ASP A 75 7.388 0.086 -7.296 1.00 10.24 C ATOM 1158 CG ASP A 75 7.876 -0.757 -8.461 1.00 50.13 C ATOM 1159 OD1 ASP A 75 8.097 -0.194 -9.558 1.00 33.21 O ATOM 1160 OD2 ASP A 75 8.025 -1.987 -8.284 1.00 75.13 O ATOM 0 H ASP A 75 9.745 0.744 -6.874 1.00 23.21 H new ATOM 0 HA ASP A 75 7.669 1.936 -8.364 1.00 25.44 H new ATOM 0 HB2 ASP A 75 7.735 -0.359 -6.363 1.00 10.24 H new ATOM 0 HB3 ASP A 75 6.298 0.066 -7.272 1.00 10.24 H new ATOM 1165 N THR A 76 6.318 3.356 -6.851 1.00 65.52 N ATOM 1166 CA THR A 76 5.485 4.215 -6.000 1.00 32.41 C ATOM 1167 C THR A 76 4.038 4.267 -6.503 1.00 63.43 C ATOM 1168 O THR A 76 3.784 4.289 -7.709 1.00 45.05 O ATOM 1169 CB THR A 76 6.043 5.659 -5.929 1.00 42.10 C ATOM 1170 OG1 THR A 76 6.264 6.163 -7.257 1.00 32.10 O ATOM 1171 CG2 THR A 76 7.347 5.714 -5.130 1.00 71.33 C ATOM 0 H THR A 76 6.256 3.569 -7.847 1.00 65.52 H new ATOM 0 HA THR A 76 5.504 3.775 -5.003 1.00 32.41 H new ATOM 0 HB THR A 76 5.307 6.280 -5.419 1.00 42.10 H new ATOM 0 HG1 THR A 76 6.615 7.077 -7.206 1.00 32.10 H new ATOM 0 HG21 THR A 76 7.712 6.741 -5.099 1.00 71.33 H new ATOM 0 HG22 THR A 76 7.166 5.363 -4.114 1.00 71.33 H new ATOM 0 HG23 THR A 76 8.093 5.078 -5.607 1.00 71.33 H new ATOM 1179 N ILE A 77 3.091 4.285 -5.570 1.00 55.02 N ATOM 1180 CA ILE A 77 1.662 4.340 -5.904 1.00 35.23 C ATOM 1181 C ILE A 77 1.000 5.564 -5.255 1.00 22.31 C ATOM 1182 O ILE A 77 1.126 5.779 -4.047 1.00 5.50 O ATOM 1183 CB ILE A 77 0.919 3.059 -5.436 1.00 52.30 C ATOM 1184 CG1 ILE A 77 1.600 1.798 -6.002 1.00 14.55 C ATOM 1185 CG2 ILE A 77 -0.554 3.105 -5.845 1.00 32.51 C ATOM 1186 CD1 ILE A 77 1.620 1.732 -7.517 1.00 0.53 C ATOM 0 H ILE A 77 3.284 4.262 -4.569 1.00 55.02 H new ATOM 0 HA ILE A 77 1.590 4.414 -6.989 1.00 35.23 H new ATOM 0 HB ILE A 77 0.969 3.017 -4.348 1.00 52.30 H new ATOM 0 HG12 ILE A 77 2.625 1.755 -5.634 1.00 14.55 H new ATOM 0 HG13 ILE A 77 1.086 0.917 -5.617 1.00 14.55 H new ATOM 0 HG21 ILE A 77 -1.054 2.198 -5.507 1.00 32.51 H new ATOM 0 HG22 ILE A 77 -1.031 3.973 -5.390 1.00 32.51 H new ATOM 0 HG23 ILE A 77 -0.628 3.177 -6.930 1.00 32.51 H new ATOM 0 HD11 ILE A 77 2.116 0.815 -7.835 1.00 0.53 H new ATOM 0 HD12 ILE A 77 0.598 1.741 -7.895 1.00 0.53 H new ATOM 0 HD13 ILE A 77 2.160 2.592 -7.912 1.00 0.53 H new ATOM 1198 N VAL A 78 0.302 6.367 -6.057 1.00 34.23 N ATOM 1199 CA VAL A 78 -0.358 7.579 -5.556 1.00 1.44 C ATOM 1200 C VAL A 78 -1.876 7.526 -5.780 1.00 71.41 C ATOM 1201 O VAL A 78 -2.344 7.420 -6.916 1.00 32.42 O ATOM 1202 CB VAL A 78 0.208 8.850 -6.244 1.00 51.43 C ATOM 1203 CG1 VAL A 78 -0.435 10.115 -5.672 1.00 52.20 C ATOM 1204 CG2 VAL A 78 1.731 8.905 -6.113 1.00 34.00 C ATOM 0 H VAL A 78 0.177 6.203 -7.056 1.00 34.23 H new ATOM 0 HA VAL A 78 -0.157 7.626 -4.486 1.00 1.44 H new ATOM 0 HB VAL A 78 -0.040 8.798 -7.304 1.00 51.43 H new ATOM 0 HG11 VAL A 78 -0.021 10.991 -6.171 1.00 52.20 H new ATOM 0 HG12 VAL A 78 -1.512 10.081 -5.834 1.00 52.20 H new ATOM 0 HG13 VAL A 78 -0.230 10.176 -4.603 1.00 52.20 H new ATOM 0 HG21 VAL A 78 2.106 9.804 -6.602 1.00 34.00 H new ATOM 0 HG22 VAL A 78 2.005 8.925 -5.058 1.00 34.00 H new ATOM 0 HG23 VAL A 78 2.169 8.025 -6.585 1.00 34.00 H new ATOM 1214 N CYS A 79 -2.643 7.581 -4.693 1.00 23.41 N ATOM 1215 CA CYS A 79 -4.106 7.671 -4.777 1.00 3.12 C ATOM 1216 C CYS A 79 -4.603 8.981 -4.152 1.00 71.21 C ATOM 1217 O CYS A 79 -4.910 9.036 -2.956 1.00 73.44 O ATOM 1218 CB CYS A 79 -4.775 6.473 -4.087 1.00 23.21 C ATOM 1219 SG CYS A 79 -4.463 4.882 -4.886 1.00 61.34 S ATOM 0 H CYS A 79 -2.278 7.565 -3.741 1.00 23.41 H new ATOM 0 HA CYS A 79 -4.380 7.657 -5.832 1.00 3.12 H new ATOM 0 HB2 CYS A 79 -4.427 6.422 -3.055 1.00 23.21 H new ATOM 0 HB3 CYS A 79 -5.851 6.644 -4.052 1.00 23.21 H new ATOM 0 HG CYS A 79 -5.068 3.939 -4.227 1.00 61.34 H new ATOM 1225 N LEU A 80 -4.664 10.037 -4.967 1.00 43.43 N ATOM 1226 CA LEU A 80 -5.032 11.382 -4.493 1.00 73.12 C ATOM 1227 C LEU A 80 -6.384 11.418 -3.743 1.00 72.12 C ATOM 1228 O LEU A 80 -6.445 11.935 -2.628 1.00 3.14 O ATOM 1229 CB LEU A 80 -5.041 12.379 -5.666 1.00 72.15 C ATOM 1230 CG LEU A 80 -3.670 12.614 -6.329 1.00 72.23 C ATOM 1231 CD1 LEU A 80 -3.803 13.547 -7.528 1.00 60.04 C ATOM 1232 CD2 LEU A 80 -2.667 13.176 -5.321 1.00 42.40 C ATOM 0 H LEU A 80 -4.463 9.990 -5.966 1.00 43.43 H new ATOM 0 HA LEU A 80 -4.271 11.675 -3.770 1.00 73.12 H new ATOM 0 HB2 LEU A 80 -5.738 12.020 -6.423 1.00 72.15 H new ATOM 0 HB3 LEU A 80 -5.424 13.335 -5.308 1.00 72.15 H new ATOM 0 HG LEU A 80 -3.297 11.653 -6.682 1.00 72.23 H new ATOM 0 HD11 LEU A 80 -2.823 13.699 -7.981 1.00 60.04 H new ATOM 0 HD12 LEU A 80 -4.477 13.104 -8.261 1.00 60.04 H new ATOM 0 HD13 LEU A 80 -4.204 14.506 -7.200 1.00 60.04 H new ATOM 0 HD21 LEU A 80 -1.707 13.334 -5.812 1.00 42.40 H new ATOM 0 HD22 LEU A 80 -3.035 14.125 -4.932 1.00 42.40 H new ATOM 0 HD23 LEU A 80 -2.543 12.471 -4.499 1.00 42.40 H new ATOM 1244 N PRO A 81 -7.481 10.859 -4.314 1.00 63.15 N ATOM 1245 CA PRO A 81 -8.810 10.891 -3.664 1.00 55.11 C ATOM 1246 C PRO A 81 -8.793 10.412 -2.198 1.00 51.13 C ATOM 1247 O PRO A 81 -9.539 10.920 -1.360 1.00 11.22 O ATOM 1248 CB PRO A 81 -9.650 9.943 -4.529 1.00 32.53 C ATOM 1249 CG PRO A 81 -9.008 9.996 -5.873 1.00 1.25 C ATOM 1250 CD PRO A 81 -7.534 10.171 -5.624 1.00 54.21 C ATOM 0 HA PRO A 81 -9.197 11.908 -3.608 1.00 55.11 H new ATOM 0 HB2 PRO A 81 -9.645 8.930 -4.127 1.00 32.53 H new ATOM 0 HB3 PRO A 81 -10.691 10.264 -4.573 1.00 32.53 H new ATOM 0 HG2 PRO A 81 -9.203 9.082 -6.434 1.00 1.25 H new ATOM 0 HG3 PRO A 81 -9.405 10.823 -6.462 1.00 1.25 H new ATOM 0 HD2 PRO A 81 -7.016 9.212 -5.595 1.00 54.21 H new ATOM 0 HD3 PRO A 81 -7.063 10.764 -6.408 1.00 54.21 H new ATOM 1258 N HIS A 82 -7.937 9.436 -1.888 1.00 12.21 N ATOM 1259 CA HIS A 82 -7.827 8.911 -0.518 1.00 44.31 C ATOM 1260 C HIS A 82 -6.573 9.440 0.203 1.00 21.24 C ATOM 1261 O HIS A 82 -6.370 9.151 1.386 1.00 44.04 O ATOM 1262 CB HIS A 82 -7.809 7.377 -0.537 1.00 72.34 C ATOM 1263 CG HIS A 82 -9.094 6.748 -0.995 1.00 53.53 C ATOM 1264 ND1 HIS A 82 -9.299 5.389 -1.000 1.00 50.11 N ATOM 1265 CD2 HIS A 82 -10.241 7.295 -1.465 1.00 43.10 C ATOM 1266 CE1 HIS A 82 -10.504 5.126 -1.448 1.00 5.34 C ATOM 1267 NE2 HIS A 82 -11.102 6.262 -1.740 1.00 31.41 N ATOM 0 H HIS A 82 -7.311 8.993 -2.561 1.00 12.21 H new ATOM 0 HA HIS A 82 -8.700 9.259 0.034 1.00 44.31 H new ATOM 0 HB2 HIS A 82 -7.002 7.043 -1.189 1.00 72.34 H new ATOM 0 HB3 HIS A 82 -7.579 7.016 0.465 1.00 72.34 H new ATOM 0 HD1 HIS A 82 -8.618 4.691 -0.701 1.00 50.11 H new ATOM 0 HD2 HIS A 82 -10.441 8.348 -1.598 1.00 43.10 H new ATOM 0 HE1 HIS A 82 -10.934 4.141 -1.559 1.00 5.34 H new ATOM 1276 N LYS A 83 -5.744 10.207 -0.514 1.00 44.40 N ATOM 1277 CA LYS A 83 -4.506 10.781 0.045 1.00 32.35 C ATOM 1278 C LYS A 83 -3.533 9.696 0.545 1.00 13.45 C ATOM 1279 O LYS A 83 -2.789 9.901 1.507 1.00 43.25 O ATOM 1280 CB LYS A 83 -4.847 11.780 1.165 1.00 43.44 C ATOM 1281 CG LYS A 83 -5.471 13.071 0.644 1.00 40.12 C ATOM 1282 CD LYS A 83 -5.966 13.972 1.772 1.00 4.54 C ATOM 1283 CE LYS A 83 -6.432 15.326 1.246 1.00 14.14 C ATOM 1284 NZ LYS A 83 -7.365 15.191 0.096 1.00 1.45 N ATOM 0 H LYS A 83 -5.907 10.448 -1.492 1.00 44.40 H new ATOM 0 HA LYS A 83 -3.994 11.311 -0.758 1.00 32.35 H new ATOM 0 HB2 LYS A 83 -5.534 11.309 1.868 1.00 43.44 H new ATOM 0 HB3 LYS A 83 -3.939 12.020 1.719 1.00 43.44 H new ATOM 0 HG2 LYS A 83 -4.737 13.611 0.046 1.00 40.12 H new ATOM 0 HG3 LYS A 83 -6.304 12.829 -0.016 1.00 40.12 H new ATOM 0 HD2 LYS A 83 -6.787 13.482 2.296 1.00 4.54 H new ATOM 0 HD3 LYS A 83 -5.167 14.119 2.499 1.00 4.54 H new ATOM 0 HE2 LYS A 83 -6.924 15.876 2.048 1.00 14.14 H new ATOM 0 HE3 LYS A 83 -5.566 15.913 0.942 1.00 14.14 H new ATOM 0 HZ1 LYS A 83 -7.773 16.120 -0.131 1.00 1.45 H new ATOM 0 HZ2 LYS A 83 -6.847 14.829 -0.730 1.00 1.45 H new ATOM 0 HZ3 LYS A 83 -8.128 14.529 0.344 1.00 1.45 H new ATOM 1298 N VAL A 84 -3.520 8.556 -0.142 1.00 4.12 N ATOM 1299 CA VAL A 84 -2.618 7.450 0.196 1.00 45.25 C ATOM 1300 C VAL A 84 -1.404 7.416 -0.751 1.00 74.53 C ATOM 1301 O VAL A 84 -1.548 7.521 -1.970 1.00 12.53 O ATOM 1302 CB VAL A 84 -3.357 6.086 0.138 1.00 4.25 C ATOM 1303 CG1 VAL A 84 -2.411 4.936 0.489 1.00 53.23 C ATOM 1304 CG2 VAL A 84 -4.570 6.091 1.066 1.00 43.53 C ATOM 0 H VAL A 84 -4.126 8.371 -0.941 1.00 4.12 H new ATOM 0 HA VAL A 84 -2.269 7.619 1.215 1.00 45.25 H new ATOM 0 HB VAL A 84 -3.707 5.934 -0.883 1.00 4.25 H new ATOM 0 HG11 VAL A 84 -2.953 3.992 0.441 1.00 53.23 H new ATOM 0 HG12 VAL A 84 -1.584 4.916 -0.220 1.00 53.23 H new ATOM 0 HG13 VAL A 84 -2.021 5.080 1.497 1.00 53.23 H new ATOM 0 HG21 VAL A 84 -5.074 5.126 1.011 1.00 43.53 H new ATOM 0 HG22 VAL A 84 -4.244 6.272 2.090 1.00 43.53 H new ATOM 0 HG23 VAL A 84 -5.259 6.878 0.760 1.00 43.53 H new ATOM 1314 N PHE A 85 -0.214 7.272 -0.172 1.00 33.32 N ATOM 1315 CA PHE A 85 1.038 7.228 -0.936 1.00 52.24 C ATOM 1316 C PHE A 85 1.894 6.023 -0.508 1.00 21.23 C ATOM 1317 O PHE A 85 2.184 5.848 0.673 1.00 44.31 O ATOM 1318 CB PHE A 85 1.821 8.537 -0.735 1.00 33.14 C ATOM 1319 CG PHE A 85 3.149 8.582 -1.457 1.00 11.35 C ATOM 1320 CD1 PHE A 85 3.217 8.947 -2.795 1.00 10.03 C ATOM 1321 CD2 PHE A 85 4.329 8.261 -0.796 1.00 23.41 C ATOM 1322 CE1 PHE A 85 4.431 8.989 -3.456 1.00 62.14 C ATOM 1323 CE2 PHE A 85 5.544 8.302 -1.455 1.00 44.04 C ATOM 1324 CZ PHE A 85 5.593 8.667 -2.786 1.00 42.40 C ATOM 0 H PHE A 85 -0.087 7.183 0.836 1.00 33.32 H new ATOM 0 HA PHE A 85 0.797 7.117 -1.993 1.00 52.24 H new ATOM 0 HB2 PHE A 85 1.207 9.371 -1.075 1.00 33.14 H new ATOM 0 HB3 PHE A 85 1.995 8.683 0.331 1.00 33.14 H new ATOM 0 HD1 PHE A 85 2.311 9.201 -3.326 1.00 10.03 H new ATOM 0 HD2 PHE A 85 4.296 7.976 0.245 1.00 23.41 H new ATOM 0 HE1 PHE A 85 4.469 9.274 -4.497 1.00 62.14 H new ATOM 0 HE2 PHE A 85 6.453 8.049 -0.930 1.00 44.04 H new ATOM 0 HZ PHE A 85 6.541 8.700 -3.302 1.00 42.40 H new ATOM 1334 N VAL A 86 2.282 5.194 -1.472 1.00 75.43 N ATOM 1335 CA VAL A 86 3.109 4.010 -1.199 1.00 2.03 C ATOM 1336 C VAL A 86 4.459 4.096 -1.927 1.00 64.42 C ATOM 1337 O VAL A 86 4.498 4.257 -3.144 1.00 32.33 O ATOM 1338 CB VAL A 86 2.381 2.711 -1.639 1.00 61.14 C ATOM 1339 CG1 VAL A 86 3.205 1.473 -1.291 1.00 24.10 C ATOM 1340 CG2 VAL A 86 0.990 2.630 -1.013 1.00 42.41 C ATOM 0 H VAL A 86 2.039 5.316 -2.455 1.00 75.43 H new ATOM 0 HA VAL A 86 3.283 3.982 -0.123 1.00 2.03 H new ATOM 0 HB VAL A 86 2.266 2.743 -2.722 1.00 61.14 H new ATOM 0 HG11 VAL A 86 2.670 0.578 -1.611 1.00 24.10 H new ATOM 0 HG12 VAL A 86 4.168 1.522 -1.800 1.00 24.10 H new ATOM 0 HG13 VAL A 86 3.366 1.434 -0.214 1.00 24.10 H new ATOM 0 HG21 VAL A 86 0.499 1.712 -1.335 1.00 42.41 H new ATOM 0 HG22 VAL A 86 1.079 2.632 0.073 1.00 42.41 H new ATOM 0 HG23 VAL A 86 0.398 3.489 -1.330 1.00 42.41 H new ATOM 1350 N GLU A 87 5.559 3.994 -1.182 1.00 71.04 N ATOM 1351 CA GLU A 87 6.909 4.015 -1.778 1.00 11.52 C ATOM 1352 C GLU A 87 7.689 2.725 -1.454 1.00 74.11 C ATOM 1353 O GLU A 87 7.881 2.374 -0.291 1.00 31.15 O ATOM 1354 CB GLU A 87 7.704 5.242 -1.289 1.00 22.34 C ATOM 1355 CG GLU A 87 7.832 5.330 0.228 1.00 43.14 C ATOM 1356 CD GLU A 87 8.791 6.417 0.697 1.00 23.12 C ATOM 1357 OE1 GLU A 87 10.009 6.145 0.802 1.00 24.41 O ATOM 1358 OE2 GLU A 87 8.336 7.542 0.984 1.00 74.31 O ATOM 0 H GLU A 87 5.550 3.896 -0.167 1.00 71.04 H new ATOM 0 HA GLU A 87 6.785 4.079 -2.859 1.00 11.52 H new ATOM 0 HB2 GLU A 87 8.702 5.215 -1.727 1.00 22.34 H new ATOM 0 HB3 GLU A 87 7.219 6.147 -1.656 1.00 22.34 H new ATOM 0 HG2 GLU A 87 6.847 5.516 0.657 1.00 43.14 H new ATOM 0 HG3 GLU A 87 8.171 4.368 0.612 1.00 43.14 H new ATOM 1365 N ILE A 88 8.125 2.014 -2.491 1.00 43.32 N ATOM 1366 CA ILE A 88 8.966 0.825 -2.312 1.00 72.54 C ATOM 1367 C ILE A 88 10.448 1.182 -2.490 1.00 62.20 C ATOM 1368 O ILE A 88 10.872 1.616 -3.564 1.00 64.32 O ATOM 1369 CB ILE A 88 8.582 -0.304 -3.301 1.00 0.44 C ATOM 1370 CG1 ILE A 88 7.109 -0.697 -3.101 1.00 63.22 C ATOM 1371 CG2 ILE A 88 9.499 -1.516 -3.127 1.00 60.43 C ATOM 1372 CD1 ILE A 88 6.651 -1.829 -3.991 1.00 55.13 C ATOM 0 H ILE A 88 7.912 2.237 -3.463 1.00 43.32 H new ATOM 0 HA ILE A 88 8.799 0.461 -1.298 1.00 72.54 H new ATOM 0 HB ILE A 88 8.710 0.064 -4.319 1.00 0.44 H new ATOM 0 HG12 ILE A 88 6.957 -0.982 -2.060 1.00 63.22 H new ATOM 0 HG13 ILE A 88 6.482 0.175 -3.287 1.00 63.22 H new ATOM 0 HG21 ILE A 88 9.210 -2.295 -3.832 1.00 60.43 H new ATOM 0 HG22 ILE A 88 10.531 -1.221 -3.315 1.00 60.43 H new ATOM 0 HG23 ILE A 88 9.410 -1.896 -2.109 1.00 60.43 H new ATOM 0 HD11 ILE A 88 5.602 -2.048 -3.791 1.00 55.13 H new ATOM 0 HD12 ILE A 88 6.769 -1.541 -5.036 1.00 55.13 H new ATOM 0 HD13 ILE A 88 7.251 -2.716 -3.789 1.00 55.13 H new ATOM 1384 N LYS A 89 11.233 0.991 -1.435 1.00 62.31 N ATOM 1385 CA LYS A 89 12.634 1.425 -1.417 1.00 74.45 C ATOM 1386 C LYS A 89 13.583 0.300 -0.972 1.00 52.50 C ATOM 1387 O LYS A 89 13.209 -0.577 -0.191 1.00 73.20 O ATOM 1388 CB LYS A 89 12.766 2.645 -0.495 1.00 32.35 C ATOM 1389 CG LYS A 89 12.363 2.375 0.957 1.00 5.20 C ATOM 1390 CD LYS A 89 11.957 3.656 1.687 1.00 1.54 C ATOM 1391 CE LYS A 89 13.030 4.735 1.599 1.00 53.15 C ATOM 1392 NZ LYS A 89 12.546 6.035 2.129 1.00 72.01 N ATOM 0 H LYS A 89 10.925 0.537 -0.575 1.00 62.31 H new ATOM 0 HA LYS A 89 12.925 1.694 -2.432 1.00 74.45 H new ATOM 0 HB2 LYS A 89 13.799 2.993 -0.516 1.00 32.35 H new ATOM 0 HB3 LYS A 89 12.149 3.453 -0.888 1.00 32.35 H new ATOM 0 HG2 LYS A 89 11.534 1.668 0.977 1.00 5.20 H new ATOM 0 HG3 LYS A 89 13.195 1.906 1.483 1.00 5.20 H new ATOM 0 HD2 LYS A 89 11.028 4.035 1.262 1.00 1.54 H new ATOM 0 HD3 LYS A 89 11.759 3.428 2.734 1.00 1.54 H new ATOM 0 HE2 LYS A 89 13.911 4.419 2.158 1.00 53.15 H new ATOM 0 HE3 LYS A 89 13.339 4.857 0.561 1.00 53.15 H new ATOM 0 HZ1 LYS A 89 13.208 6.789 1.857 1.00 72.01 H new ATOM 0 HZ2 LYS A 89 11.606 6.242 1.736 1.00 72.01 H new ATOM 0 HZ3 LYS A 89 12.485 5.986 3.166 1.00 72.01 H new ATOM 1406 N SER A 90 14.812 0.342 -1.478 1.00 50.24 N ATOM 1407 CA SER A 90 15.821 -0.688 -1.185 1.00 54.24 C ATOM 1408 C SER A 90 16.445 -0.517 0.202 1.00 54.24 C ATOM 1409 O SER A 90 16.545 0.595 0.727 1.00 54.43 O ATOM 1410 CB SER A 90 16.939 -0.666 -2.234 1.00 41.22 C ATOM 1411 OG SER A 90 17.986 -1.558 -1.882 1.00 0.30 O ATOM 0 H SER A 90 15.141 1.082 -2.098 1.00 50.24 H new ATOM 0 HA SER A 90 15.299 -1.644 -1.212 1.00 54.24 H new ATOM 0 HB2 SER A 90 16.534 -0.941 -3.208 1.00 41.22 H new ATOM 0 HB3 SER A 90 17.334 0.345 -2.328 1.00 41.22 H new ATOM 0 HG SER A 90 18.606 -1.649 -2.636 1.00 0.30 H new ATOM 1417 N THR A 91 16.861 -1.634 0.794 1.00 44.31 N ATOM 1418 CA THR A 91 17.582 -1.616 2.072 1.00 73.31 C ATOM 1419 C THR A 91 19.092 -1.397 1.860 1.00 61.33 C ATOM 1420 O THR A 91 19.868 -1.366 2.820 1.00 22.31 O ATOM 1421 CB THR A 91 17.373 -2.931 2.860 1.00 2.25 C ATOM 1422 OG1 THR A 91 17.937 -4.040 2.138 1.00 44.44 O ATOM 1423 CG2 THR A 91 15.891 -3.192 3.114 1.00 34.34 C ATOM 0 H THR A 91 16.712 -2.567 0.411 1.00 44.31 H new ATOM 0 HA THR A 91 17.174 -0.785 2.648 1.00 73.31 H new ATOM 0 HB THR A 91 17.878 -2.826 3.820 1.00 2.25 H new ATOM 0 HG1 THR A 91 17.340 -4.289 1.402 1.00 44.44 H new ATOM 0 HG21 THR A 91 15.775 -4.123 3.669 1.00 34.34 H new ATOM 0 HG22 THR A 91 15.471 -2.369 3.693 1.00 34.34 H new ATOM 0 HG23 THR A 91 15.367 -3.271 2.161 1.00 34.34 H new ATOM 1431 N GLN A 92 19.501 -1.258 0.595 1.00 74.41 N ATOM 1432 CA GLN A 92 20.901 -0.975 0.248 1.00 5.44 C ATOM 1433 C GLN A 92 21.180 0.535 0.220 1.00 73.04 C ATOM 1434 O GLN A 92 20.305 1.356 0.501 1.00 22.01 O ATOM 1435 CB GLN A 92 21.249 -1.558 -1.132 1.00 14.23 C ATOM 1436 CG GLN A 92 21.067 -3.066 -1.259 1.00 31.33 C ATOM 1437 CD GLN A 92 21.616 -3.593 -2.579 1.00 64.03 C ATOM 1438 OE1 GLN A 92 20.924 -3.642 -3.590 1.00 24.10 O ATOM 1439 NE2 GLN A 92 22.874 -3.991 -2.578 1.00 22.21 N ATOM 0 H GLN A 92 18.880 -1.337 -0.211 1.00 74.41 H new ATOM 0 HA GLN A 92 21.517 -1.441 1.017 1.00 5.44 H new ATOM 0 HB2 GLN A 92 20.630 -1.068 -1.883 1.00 14.23 H new ATOM 0 HB3 GLN A 92 22.285 -1.312 -1.363 1.00 14.23 H new ATOM 0 HG2 GLN A 92 21.571 -3.564 -0.431 1.00 31.33 H new ATOM 0 HG3 GLN A 92 20.008 -3.312 -1.182 1.00 31.33 H new ATOM 0 HE21 GLN A 92 23.425 -3.938 -1.721 1.00 22.21 H new ATOM 0 HE22 GLN A 92 23.296 -4.351 -3.434 1.00 22.21 H new