USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 669 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 79 LYS NZ :NH3+ 157:sc=-0.00909 (180deg=-0.678) USER MOD Set 1.2: A 94 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 120 HIS : no HE2:sc= -0.369 K(o=-0.38,f=-8!) USER MOD Set 2.1: A 67 MET CE :methyl -171:sc= -1.04 (180deg=-1.15) USER MOD Set 2.2: A 90 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 72 GLN : amide:sc= 0.825 K(o=0.88,f=-0.26) USER MOD Set 3.2: A 81 THR OG1 : rot -130:sc= 0.0587 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.491 USER MOD Single : A 45 TYR OH : rot 15:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -171:sc= 0 (180deg=-0.158) USER MOD Single : A 58 GLN : amide:sc= 0.726 K(o=0.73,f=-6.5!) USER MOD Single : A 65 MET CE :methyl -163:sc= -0.239 (180deg=-0.777) USER MOD Single : A 70 SER OG : rot -86:sc= 1.63 USER MOD Single : A 83 THR OG1 : rot -48:sc= 1.25 USER MOD Single : A 85 TYR OH : rot 80:sc= 0.531 USER MOD Single : A 95 TYR OH : rot 174:sc= 0.573 USER MOD Single : A 107 GLN : amide:sc= -1.01 K(o=-1,f=-8.4!) USER MOD Single : A 112 GLN : amide:sc= 0.834 K(o=0.83,f=0.008) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= -0.129 (180deg=-0.129) USER MOD Single : A 119 ASN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 162:sc= 1.22 (180deg=1.2) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 36 3.598 -10.870 0.965 1.00 0.00 N ATOM 101 CA LEU A 36 2.244 -11.078 0.499 1.00 0.00 C ATOM 102 C LEU A 36 1.791 -9.775 -0.155 1.00 0.00 C ATOM 103 O LEU A 36 2.590 -8.878 -0.425 1.00 0.00 O ATOM 104 CB LEU A 36 1.351 -11.578 1.650 1.00 0.00 C ATOM 105 CG LEU A 36 1.489 -10.821 2.980 1.00 0.00 C ATOM 106 CD1 LEU A 36 1.070 -9.357 2.865 1.00 0.00 C ATOM 107 CD2 LEU A 36 0.698 -11.539 4.073 1.00 0.00 C ATOM 0 HA LEU A 36 2.175 -11.865 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.311 -11.523 1.328 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.574 -12.630 1.827 1.00 0.00 H new ATOM 0 HG LEU A 36 2.545 -10.816 3.250 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.187 -8.868 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.697 -8.856 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.027 -9.300 2.553 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.801 -10.996 5.013 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.354 -11.582 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.083 -12.552 4.195 1.00 0.00 H new ATOM 119 N PHE A 37 0.522 -9.716 -0.527 1.00 0.00 N ATOM 120 CA PHE A 37 -0.071 -8.596 -1.242 1.00 0.00 C ATOM 121 C PHE A 37 -1.588 -8.751 -1.148 1.00 0.00 C ATOM 122 O PHE A 37 -2.046 -9.887 -0.980 1.00 0.00 O ATOM 123 CB PHE A 37 0.383 -8.649 -2.710 1.00 0.00 C ATOM 124 CG PHE A 37 0.228 -7.362 -3.481 1.00 0.00 C ATOM 125 CD1 PHE A 37 1.250 -6.399 -3.471 1.00 0.00 C ATOM 126 CD2 PHE A 37 -0.926 -7.131 -4.238 1.00 0.00 C ATOM 127 CE1 PHE A 37 1.130 -5.226 -4.229 1.00 0.00 C ATOM 128 CE2 PHE A 37 -1.066 -5.948 -4.977 1.00 0.00 C ATOM 129 CZ PHE A 37 -0.009 -5.026 -5.026 1.00 0.00 C ATOM 0 H PHE A 37 -0.142 -10.466 -0.335 1.00 0.00 H new ATOM 0 HA PHE A 37 0.235 -7.640 -0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.431 -8.946 -2.738 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.183 -9.429 -3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.135 -6.563 -2.875 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.714 -7.869 -4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.910 -4.479 -4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.985 -5.747 -5.507 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.071 -4.165 -5.675 1.00 0.00 H new ATOM 139 N TYR A 38 -2.358 -7.668 -1.282 1.00 0.00 N ATOM 140 CA TYR A 38 -3.809 -7.728 -1.411 1.00 0.00 C ATOM 141 C TYR A 38 -4.263 -6.736 -2.487 1.00 0.00 C ATOM 142 O TYR A 38 -3.455 -6.186 -3.237 1.00 0.00 O ATOM 143 CB TYR A 38 -4.453 -7.424 -0.054 1.00 0.00 C ATOM 144 CG TYR A 38 -4.074 -8.381 1.056 1.00 0.00 C ATOM 145 CD1 TYR A 38 -2.917 -8.128 1.819 1.00 0.00 C ATOM 146 CD2 TYR A 38 -4.858 -9.528 1.294 1.00 0.00 C ATOM 147 CE1 TYR A 38 -2.506 -9.082 2.776 1.00 0.00 C ATOM 148 CE2 TYR A 38 -4.486 -10.443 2.285 1.00 0.00 C ATOM 149 CZ TYR A 38 -3.299 -10.234 3.021 1.00 0.00 C ATOM 150 OH TYR A 38 -2.898 -11.153 3.943 1.00 0.00 O ATOM 0 H TYR A 38 -1.985 -6.719 -1.304 1.00 0.00 H new ATOM 0 HA TYR A 38 -4.123 -8.726 -1.717 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.176 -6.413 0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.537 -7.436 -0.171 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.353 -7.218 1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.749 -9.701 0.709 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.586 -8.935 3.323 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.104 -11.306 2.486 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.555 -11.879 3.988 1.00 0.00 H new ATOM 160 N THR A 39 -5.559 -6.469 -2.557 1.00 0.00 N ATOM 161 CA THR A 39 -6.165 -5.403 -3.332 1.00 0.00 C ATOM 162 C THR A 39 -7.314 -4.784 -2.532 1.00 0.00 C ATOM 163 O THR A 39 -7.715 -5.354 -1.513 1.00 0.00 O ATOM 164 CB THR A 39 -6.646 -5.946 -4.712 1.00 0.00 C ATOM 165 OG1 THR A 39 -8.004 -6.338 -4.681 1.00 0.00 O ATOM 166 CG2 THR A 39 -5.888 -7.162 -5.264 1.00 0.00 C ATOM 0 H THR A 39 -6.249 -7.020 -2.047 1.00 0.00 H new ATOM 0 HA THR A 39 -5.429 -4.624 -3.529 1.00 0.00 H new ATOM 0 HB THR A 39 -6.458 -5.091 -5.361 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.269 -6.671 -5.564 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.311 -7.448 -6.227 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.836 -6.908 -5.392 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.978 -7.994 -4.566 1.00 0.00 H new ATOM 174 N PRO A 40 -7.877 -3.663 -3.004 1.00 0.00 N ATOM 175 CA PRO A 40 -9.091 -3.093 -2.454 1.00 0.00 C ATOM 176 C PRO A 40 -10.355 -3.952 -2.606 1.00 0.00 C ATOM 177 O PRO A 40 -11.391 -3.566 -2.081 1.00 0.00 O ATOM 178 CB PRO A 40 -9.257 -1.734 -3.130 1.00 0.00 C ATOM 179 CG PRO A 40 -8.352 -1.777 -4.349 1.00 0.00 C ATOM 180 CD PRO A 40 -7.259 -2.733 -3.932 1.00 0.00 C ATOM 0 HA PRO A 40 -8.980 -3.020 -1.372 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.294 -1.562 -3.417 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.973 -0.924 -2.458 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.883 -2.132 -5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.955 -0.791 -4.591 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.848 -3.257 -4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.433 -2.201 -3.460 1.00 0.00 H new ATOM 188 N GLY A 41 -10.299 -5.098 -3.285 1.00 0.00 N ATOM 189 CA GLY A 41 -11.306 -6.137 -3.137 1.00 0.00 C ATOM 190 C GLY A 41 -10.866 -7.120 -2.058 1.00 0.00 C ATOM 191 O GLY A 41 -11.621 -7.472 -1.160 1.00 0.00 O ATOM 0 H GLY A 41 -9.558 -5.327 -3.947 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.265 -5.693 -2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.448 -6.659 -4.084 1.00 0.00 H new ATOM 195 N GLU A 42 -9.612 -7.556 -2.094 1.00 0.00 N ATOM 196 CA GLU A 42 -9.209 -8.768 -1.394 1.00 0.00 C ATOM 197 C GLU A 42 -9.052 -8.572 0.118 1.00 0.00 C ATOM 198 O GLU A 42 -9.109 -9.542 0.872 1.00 0.00 O ATOM 199 CB GLU A 42 -7.910 -9.265 -2.025 1.00 0.00 C ATOM 200 CG GLU A 42 -8.195 -9.827 -3.427 1.00 0.00 C ATOM 201 CD GLU A 42 -6.977 -10.485 -4.055 1.00 0.00 C ATOM 202 OE1 GLU A 42 -6.210 -11.176 -3.343 1.00 0.00 O ATOM 203 OE2 GLU A 42 -6.774 -10.319 -5.278 1.00 0.00 O ATOM 0 H GLU A 42 -8.859 -7.089 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.000 -9.510 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.191 -8.449 -2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.462 -10.036 -1.398 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.004 -10.555 -3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.541 -9.021 -4.074 1.00 0.00 H new ATOM 210 N ILE A 43 -8.879 -7.332 0.585 1.00 0.00 N ATOM 211 CA ILE A 43 -8.844 -7.015 2.017 1.00 0.00 C ATOM 212 C ILE A 43 -10.243 -7.104 2.647 1.00 0.00 C ATOM 213 O ILE A 43 -10.359 -7.129 3.874 1.00 0.00 O ATOM 214 CB ILE A 43 -8.146 -5.642 2.219 1.00 0.00 C ATOM 215 CG1 ILE A 43 -6.670 -5.830 1.792 1.00 0.00 C ATOM 216 CG2 ILE A 43 -8.276 -5.055 3.640 1.00 0.00 C ATOM 217 CD1 ILE A 43 -5.647 -4.847 2.356 1.00 0.00 C ATOM 0 H ILE A 43 -8.759 -6.519 -0.019 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.252 -7.760 2.549 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.648 -4.895 1.604 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.362 -6.837 2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.624 -5.777 0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.759 -4.097 3.687 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.330 -4.910 3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.832 -5.743 4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.656 -5.095 1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.910 -3.834 2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.644 -4.910 3.444 1.00 0.00 H new ATOM 229 N LEU A 44 -11.304 -7.168 1.844 1.00 0.00 N ATOM 230 CA LEU A 44 -12.678 -7.128 2.319 1.00 0.00 C ATOM 231 C LEU A 44 -13.380 -8.424 1.947 1.00 0.00 C ATOM 232 O LEU A 44 -14.040 -9.026 2.795 1.00 0.00 O ATOM 233 CB LEU A 44 -13.469 -5.888 1.837 1.00 0.00 C ATOM 234 CG LEU A 44 -12.924 -5.007 0.690 1.00 0.00 C ATOM 235 CD1 LEU A 44 -13.892 -3.870 0.377 1.00 0.00 C ATOM 236 CD2 LEU A 44 -11.557 -4.366 0.968 1.00 0.00 C ATOM 0 H LEU A 44 -11.227 -7.250 0.830 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.643 -7.031 3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -14.457 -6.234 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.609 -5.240 2.702 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.811 -5.697 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.489 -3.262 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.854 -4.284 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -14.025 -3.251 1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.255 -3.767 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.627 -3.728 1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.818 -5.147 1.143 1.00 0.00 H new ATOM 248 N TYR A 45 -13.234 -8.845 0.696 1.00 0.00 N ATOM 249 CA TYR A 45 -14.020 -9.908 0.098 1.00 0.00 C ATOM 250 C TYR A 45 -13.354 -11.265 0.304 1.00 0.00 C ATOM 251 O TYR A 45 -14.064 -12.227 0.600 1.00 0.00 O ATOM 252 CB TYR A 45 -14.260 -9.563 -1.382 1.00 0.00 C ATOM 253 CG TYR A 45 -14.845 -8.176 -1.630 1.00 0.00 C ATOM 254 CD1 TYR A 45 -15.656 -7.559 -0.657 1.00 0.00 C ATOM 255 CD2 TYR A 45 -14.575 -7.480 -2.828 1.00 0.00 C ATOM 256 CE1 TYR A 45 -16.121 -6.255 -0.839 1.00 0.00 C ATOM 257 CE2 TYR A 45 -15.099 -6.189 -3.037 1.00 0.00 C ATOM 258 CZ TYR A 45 -15.856 -5.554 -2.028 1.00 0.00 C ATOM 259 OH TYR A 45 -16.307 -4.279 -2.174 1.00 0.00 O ATOM 0 H TYR A 45 -12.548 -8.444 0.057 1.00 0.00 H new ATOM 0 HA TYR A 45 -14.991 -9.988 0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.314 -9.644 -1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -14.932 -10.307 -1.809 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.921 -8.100 0.239 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -13.963 -7.940 -3.589 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -16.692 -5.779 -0.056 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -14.921 -5.682 -3.974 1.00 0.00 H new ATOM 0 HH TYR A 45 -16.576 -3.925 -1.301 1.00 0.00 H new ATOM 269 N GLY A 46 -12.020 -11.308 0.244 1.00 0.00 N ATOM 270 CA GLY A 46 -11.194 -12.498 0.433 1.00 0.00 C ATOM 271 C GLY A 46 -9.966 -12.464 -0.479 1.00 0.00 C ATOM 272 O GLY A 46 -10.038 -11.982 -1.605 1.00 0.00 O ATOM 0 H GLY A 46 -11.464 -10.475 0.053 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.877 -12.563 1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.783 -13.391 0.223 1.00 0.00 H new ATOM 276 N LYS A 47 -8.805 -12.972 -0.040 1.00 0.00 N ATOM 277 CA LYS A 47 -7.618 -13.002 -0.887 1.00 0.00 C ATOM 278 C LYS A 47 -7.699 -14.112 -1.914 1.00 0.00 C ATOM 279 O LYS A 47 -7.832 -15.272 -1.509 1.00 0.00 O ATOM 280 CB LYS A 47 -6.396 -13.165 -0.013 1.00 0.00 C ATOM 281 CG LYS A 47 -5.132 -13.077 -0.880 1.00 0.00 C ATOM 282 CD LYS A 47 -3.987 -13.302 0.067 1.00 0.00 C ATOM 283 CE LYS A 47 -2.577 -13.084 -0.479 1.00 0.00 C ATOM 284 NZ LYS A 47 -2.182 -14.098 -1.476 1.00 0.00 N ATOM 0 H LYS A 47 -8.669 -13.364 0.892 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.551 -12.063 -1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.378 -12.391 0.754 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.430 -14.124 0.503 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.143 -13.828 -1.670 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.055 -12.105 -1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.123 -12.643 0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.051 -14.325 0.438 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.518 -12.094 -0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.867 -13.099 0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.218 -13.899 -1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.210 -15.042 -1.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.840 -14.069 -2.281 1.00 0.00 H new ATOM 385 N MET A 53 -7.510 -13.994 5.585 1.00 0.00 N ATOM 386 CA MET A 53 -7.576 -12.541 5.700 1.00 0.00 C ATOM 387 C MET A 53 -6.423 -12.076 6.592 1.00 0.00 C ATOM 388 O MET A 53 -5.979 -12.839 7.463 1.00 0.00 O ATOM 389 CB MET A 53 -8.934 -12.088 6.250 1.00 0.00 C ATOM 390 CG MET A 53 -10.080 -12.508 5.322 1.00 0.00 C ATOM 391 SD MET A 53 -11.553 -11.461 5.437 1.00 0.00 S ATOM 392 CE MET A 53 -11.158 -10.267 4.136 1.00 0.00 C ATOM 0 HA MET A 53 -7.477 -12.088 4.714 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.089 -12.517 7.240 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.938 -11.004 6.368 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.721 -12.498 4.293 1.00 0.00 H new ATOM 0 HG3 MET A 53 -10.360 -13.536 5.552 1.00 0.00 H new ATOM 0 HE1 MET A 53 -11.876 -9.447 4.165 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.153 -9.876 4.294 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.207 -10.758 3.164 1.00 0.00 H new ATOM 402 N PRO A 54 -5.917 -10.846 6.385 1.00 0.00 N ATOM 403 CA PRO A 54 -4.820 -10.329 7.177 1.00 0.00 C ATOM 404 C PRO A 54 -5.243 -10.081 8.626 1.00 0.00 C ATOM 405 O PRO A 54 -6.417 -10.002 8.994 1.00 0.00 O ATOM 406 CB PRO A 54 -4.359 -9.039 6.483 1.00 0.00 C ATOM 407 CG PRO A 54 -5.606 -8.575 5.736 1.00 0.00 C ATOM 408 CD PRO A 54 -6.282 -9.887 5.352 1.00 0.00 C ATOM 0 HA PRO A 54 -4.003 -11.048 7.234 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.021 -8.294 7.203 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.528 -9.224 5.802 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -6.248 -7.959 6.366 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.353 -7.979 4.859 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -7.364 -9.766 5.297 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.948 -10.225 4.371 1.00 0.00 H new ATOM 416 N GLU A 55 -4.223 -9.902 9.444 1.00 0.00 N ATOM 417 CA GLU A 55 -4.278 -9.500 10.830 1.00 0.00 C ATOM 418 C GLU A 55 -4.489 -7.990 10.911 1.00 0.00 C ATOM 419 O GLU A 55 -3.783 -7.232 10.243 1.00 0.00 O ATOM 420 CB GLU A 55 -2.924 -9.890 11.454 1.00 0.00 C ATOM 421 CG GLU A 55 -3.100 -10.993 12.483 1.00 0.00 C ATOM 422 CD GLU A 55 -3.625 -10.471 13.820 1.00 0.00 C ATOM 423 OE1 GLU A 55 -4.297 -9.424 13.857 1.00 0.00 O ATOM 424 OE2 GLU A 55 -3.347 -11.151 14.838 1.00 0.00 O ATOM 0 H GLU A 55 -3.263 -10.046 9.129 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.099 -9.983 11.359 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.241 -10.222 10.672 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.471 -9.017 11.924 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.790 -11.742 12.093 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.144 -11.492 12.642 1.00 0.00 H new ATOM 431 N VAL A 56 -5.376 -7.525 11.789 1.00 0.00 N ATOM 432 CA VAL A 56 -5.387 -6.111 12.169 1.00 0.00 C ATOM 433 C VAL A 56 -4.074 -5.747 12.893 1.00 0.00 C ATOM 434 O VAL A 56 -3.743 -4.577 13.066 1.00 0.00 O ATOM 435 CB VAL A 56 -6.638 -5.761 12.990 1.00 0.00 C ATOM 436 CG1 VAL A 56 -6.783 -4.240 13.103 1.00 0.00 C ATOM 437 CG2 VAL A 56 -7.946 -6.258 12.353 1.00 0.00 C ATOM 0 H VAL A 56 -6.087 -8.096 12.246 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.441 -5.502 11.267 1.00 0.00 H new ATOM 0 HB VAL A 56 -6.493 -6.248 13.954 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -7.672 -4.002 13.686 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.904 -3.826 13.597 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.876 -3.808 12.106 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.788 -5.977 12.985 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.065 -5.807 11.368 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.913 -7.343 12.254 1.00 0.00 H new ATOM 447 N GLY A 57 -3.294 -6.733 13.326 1.00 0.00 N ATOM 448 CA GLY A 57 -2.004 -6.523 13.948 1.00 0.00 C ATOM 449 C GLY A 57 -0.809 -6.587 12.992 1.00 0.00 C ATOM 450 O GLY A 57 0.305 -6.507 13.512 1.00 0.00 O ATOM 0 H GLY A 57 -3.552 -7.717 13.250 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.007 -5.549 14.438 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.867 -7.272 14.728 1.00 0.00 H new ATOM 454 N GLN A 58 -0.939 -6.739 11.657 1.00 0.00 N ATOM 455 CA GLN A 58 0.238 -7.124 10.853 1.00 0.00 C ATOM 456 C GLN A 58 0.618 -6.067 9.828 1.00 0.00 C ATOM 457 O GLN A 58 -0.186 -5.194 9.496 1.00 0.00 O ATOM 458 CB GLN A 58 0.065 -8.499 10.178 1.00 0.00 C ATOM 459 CG GLN A 58 -0.981 -8.462 9.057 1.00 0.00 C ATOM 460 CD GLN A 58 -0.961 -9.663 8.143 1.00 0.00 C ATOM 461 OE1 GLN A 58 -1.674 -10.643 8.310 1.00 0.00 O ATOM 462 NE2 GLN A 58 -0.178 -9.575 7.101 1.00 0.00 N ATOM 0 H GLN A 58 -1.804 -6.608 11.133 1.00 0.00 H new ATOM 0 HA GLN A 58 1.062 -7.204 11.562 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.022 -8.825 9.770 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.231 -9.235 10.926 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.972 -8.378 9.504 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.824 -7.564 8.460 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.411 -8.752 6.974 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.156 -10.329 6.414 1.00 0.00 H new ATOM 471 N ARG A 59 1.809 -6.243 9.239 1.00 0.00 N ATOM 472 CA ARG A 59 2.234 -5.553 8.025 1.00 0.00 C ATOM 473 C ARG A 59 1.908 -6.366 6.780 1.00 0.00 C ATOM 474 O ARG A 59 1.869 -7.601 6.826 1.00 0.00 O ATOM 475 CB ARG A 59 3.711 -5.122 8.052 1.00 0.00 C ATOM 476 CG ARG A 59 4.757 -6.248 8.084 1.00 0.00 C ATOM 477 CD ARG A 59 5.062 -6.736 9.501 1.00 0.00 C ATOM 478 NE ARG A 59 6.308 -7.509 9.518 1.00 0.00 N ATOM 479 CZ ARG A 59 6.833 -8.158 10.557 1.00 0.00 C ATOM 480 NH1 ARG A 59 6.157 -8.316 11.686 1.00 0.00 N ATOM 481 NH2 ARG A 59 8.045 -8.674 10.446 1.00 0.00 N ATOM 0 H ARG A 59 2.514 -6.883 9.605 1.00 0.00 H new ATOM 0 HA ARG A 59 1.656 -4.629 7.985 1.00 0.00 H new ATOM 0 HB2 ARG A 59 3.902 -4.505 7.174 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.865 -4.489 8.926 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.400 -7.086 7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.678 -5.895 7.620 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.146 -5.884 10.176 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.240 -7.352 9.865 1.00 0.00 H new ATOM 0 HE ARG A 59 6.828 -7.555 8.642 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.214 -7.937 11.773 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.580 -8.817 12.468 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.565 -8.573 9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.461 -9.174 11.232 1.00 0.00 H new ATOM 495 N LEU A 60 1.607 -5.664 5.692 1.00 0.00 N ATOM 496 CA LEU A 60 1.137 -6.155 4.400 1.00 0.00 C ATOM 497 C LEU A 60 1.430 -5.122 3.307 1.00 0.00 C ATOM 498 O LEU A 60 1.800 -3.989 3.616 1.00 0.00 O ATOM 499 CB LEU A 60 -0.377 -6.437 4.471 1.00 0.00 C ATOM 500 CG LEU A 60 -1.129 -5.275 5.147 1.00 0.00 C ATOM 501 CD1 LEU A 60 -2.376 -4.843 4.417 1.00 0.00 C ATOM 502 CD2 LEU A 60 -1.508 -5.653 6.564 1.00 0.00 C ATOM 0 H LEU A 60 1.693 -4.648 5.692 1.00 0.00 H new ATOM 0 HA LEU A 60 1.661 -7.079 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.768 -6.591 3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.552 -7.359 5.026 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.438 -4.433 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.847 -4.021 4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.113 -4.514 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.070 -5.681 4.355 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.039 -4.824 7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.152 -6.532 6.546 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.606 -5.875 7.135 1.00 0.00 H new ATOM 514 N ARG A 61 1.133 -5.446 2.043 1.00 0.00 N ATOM 515 CA ARG A 61 1.306 -4.603 0.852 1.00 0.00 C ATOM 516 C ARG A 61 0.012 -4.620 0.035 1.00 0.00 C ATOM 517 O ARG A 61 -0.605 -5.682 -0.049 1.00 0.00 O ATOM 518 CB ARG A 61 2.489 -5.199 0.062 1.00 0.00 C ATOM 519 CG ARG A 61 3.026 -4.369 -1.107 1.00 0.00 C ATOM 520 CD ARG A 61 4.339 -5.002 -1.584 1.00 0.00 C ATOM 521 NE ARG A 61 4.928 -4.307 -2.744 1.00 0.00 N ATOM 522 CZ ARG A 61 6.074 -3.616 -2.757 1.00 0.00 C ATOM 523 NH1 ARG A 61 6.653 -3.235 -1.625 1.00 0.00 N ATOM 524 NH2 ARG A 61 6.660 -3.302 -3.911 1.00 0.00 N ATOM 0 H ARG A 61 0.742 -6.359 1.809 1.00 0.00 H new ATOM 0 HA ARG A 61 1.516 -3.564 1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.309 -5.375 0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.184 -6.172 -0.324 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.300 -4.343 -1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.193 -3.338 -0.796 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.056 -4.999 -0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.159 -6.045 -1.846 1.00 0.00 H new ATOM 0 HE ARG A 61 4.411 -4.358 -3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.225 -3.468 -0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.526 -2.709 -1.651 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.235 -3.588 -4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.533 -2.775 -3.913 1.00 0.00 H new ATOM 538 N VAL A 62 -0.426 -3.517 -0.589 1.00 0.00 N ATOM 539 CA VAL A 62 -1.577 -3.540 -1.484 1.00 0.00 C ATOM 540 C VAL A 62 -1.625 -2.503 -2.590 1.00 0.00 C ATOM 541 O VAL A 62 -1.664 -1.311 -2.343 1.00 0.00 O ATOM 542 CB VAL A 62 -2.850 -3.506 -0.659 1.00 0.00 C ATOM 543 CG1 VAL A 62 -3.205 -2.548 0.420 1.00 0.00 C ATOM 544 CG2 VAL A 62 -4.086 -3.554 -1.540 1.00 0.00 C ATOM 0 H VAL A 62 0.005 -2.598 -0.486 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.472 -4.473 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.537 -4.372 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.191 -2.794 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.467 -2.611 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.218 -1.535 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.979 -3.528 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.088 -2.696 -2.212 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.080 -4.473 -2.126 1.00 0.00 H new ATOM 554 N GLY A 63 -1.749 -2.966 -3.826 1.00 0.00 N ATOM 555 CA GLY A 63 -2.034 -2.143 -4.978 1.00 0.00 C ATOM 556 C GLY A 63 -3.496 -1.756 -5.008 1.00 0.00 C ATOM 557 O GLY A 63 -4.359 -2.531 -4.598 1.00 0.00 O ATOM 0 H GLY A 63 -1.650 -3.955 -4.055 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.415 -1.246 -4.953 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.776 -2.682 -5.890 1.00 0.00 H new ATOM 561 N GLY A 64 -3.755 -0.600 -5.590 1.00 0.00 N ATOM 562 CA GLY A 64 -5.078 -0.077 -5.910 1.00 0.00 C ATOM 563 C GLY A 64 -4.957 1.257 -6.640 1.00 0.00 C ATOM 564 O GLY A 64 -3.879 1.850 -6.670 1.00 0.00 O ATOM 0 H GLY A 64 -3.009 0.037 -5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.619 -0.791 -6.531 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.657 0.052 -4.995 1.00 0.00 H new ATOM 568 N MET A 65 -6.046 1.733 -7.234 1.00 0.00 N ATOM 569 CA MET A 65 -6.123 2.995 -7.954 1.00 0.00 C ATOM 570 C MET A 65 -6.649 4.065 -7.007 1.00 0.00 C ATOM 571 O MET A 65 -7.660 3.839 -6.358 1.00 0.00 O ATOM 572 CB MET A 65 -7.014 2.820 -9.188 1.00 0.00 C ATOM 573 CG MET A 65 -6.755 3.945 -10.197 1.00 0.00 C ATOM 574 SD MET A 65 -7.510 3.746 -11.833 1.00 0.00 S ATOM 575 CE MET A 65 -6.974 2.066 -12.279 1.00 0.00 C ATOM 0 H MET A 65 -6.933 1.229 -7.226 1.00 0.00 H new ATOM 0 HA MET A 65 -5.140 3.309 -8.304 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.817 1.854 -9.652 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.063 2.823 -8.891 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.113 4.880 -9.766 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.678 4.046 -10.327 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.096 1.918 -13.352 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.925 1.936 -12.012 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.579 1.336 -11.741 1.00 0.00 H new ATOM 585 N VAL A 66 -5.949 5.184 -6.828 1.00 0.00 N ATOM 586 CA VAL A 66 -6.338 6.222 -5.873 1.00 0.00 C ATOM 587 C VAL A 66 -7.645 6.857 -6.352 1.00 0.00 C ATOM 588 O VAL A 66 -7.683 7.351 -7.479 1.00 0.00 O ATOM 589 CB VAL A 66 -5.203 7.262 -5.803 1.00 0.00 C ATOM 590 CG1 VAL A 66 -5.522 8.434 -4.869 1.00 0.00 C ATOM 591 CG2 VAL A 66 -3.898 6.613 -5.333 1.00 0.00 C ATOM 0 H VAL A 66 -5.094 5.397 -7.342 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.498 5.810 -4.877 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.095 7.650 -6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.685 9.132 -4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.418 8.945 -5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.690 8.059 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.111 7.366 -5.291 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.042 6.183 -4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.611 5.827 -6.031 1.00 0.00 H new ATOM 601 N MET A 67 -8.700 6.887 -5.530 1.00 0.00 N ATOM 602 CA MET A 67 -9.898 7.641 -5.875 1.00 0.00 C ATOM 603 C MET A 67 -9.569 9.128 -6.053 1.00 0.00 C ATOM 604 O MET A 67 -8.833 9.712 -5.245 1.00 0.00 O ATOM 605 CB MET A 67 -10.977 7.504 -4.798 1.00 0.00 C ATOM 606 CG MET A 67 -11.735 6.188 -4.887 1.00 0.00 C ATOM 607 SD MET A 67 -13.287 6.201 -3.966 1.00 0.00 S ATOM 608 CE MET A 67 -13.612 4.435 -3.982 1.00 0.00 C ATOM 0 H MET A 67 -8.744 6.403 -4.633 1.00 0.00 H new ATOM 0 HA MET A 67 -10.275 7.229 -6.811 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.515 7.586 -3.814 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.682 8.331 -4.889 1.00 0.00 H new ATOM 0 HG2 MET A 67 -11.942 5.965 -5.934 1.00 0.00 H new ATOM 0 HG3 MET A 67 -11.102 5.385 -4.509 1.00 0.00 H new ATOM 0 HE1 MET A 67 -14.615 4.246 -3.598 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.538 4.061 -5.003 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.881 3.925 -3.354 1.00 0.00 H new ATOM 618 N PRO A 68 -10.166 9.772 -7.064 1.00 0.00 N ATOM 619 CA PRO A 68 -10.056 11.201 -7.286 1.00 0.00 C ATOM 620 C PRO A 68 -10.682 11.952 -6.109 1.00 0.00 C ATOM 621 O PRO A 68 -11.634 11.473 -5.493 1.00 0.00 O ATOM 622 CB PRO A 68 -10.775 11.462 -8.610 1.00 0.00 C ATOM 623 CG PRO A 68 -11.761 10.300 -8.727 1.00 0.00 C ATOM 624 CD PRO A 68 -11.110 9.167 -7.980 1.00 0.00 C ATOM 0 HA PRO A 68 -9.025 11.550 -7.347 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.289 12.423 -8.603 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.077 11.480 -9.447 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.728 10.556 -8.293 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -11.939 10.036 -9.769 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.853 8.580 -7.441 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.604 8.488 -8.667 1.00 0.00 H new ATOM 632 N GLY A 69 -10.117 13.110 -5.766 1.00 0.00 N ATOM 633 CA GLY A 69 -10.539 13.933 -4.637 1.00 0.00 C ATOM 634 C GLY A 69 -10.215 13.335 -3.264 1.00 0.00 C ATOM 635 O GLY A 69 -10.088 14.098 -2.309 1.00 0.00 O ATOM 0 H GLY A 69 -9.333 13.510 -6.281 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.062 14.910 -4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.614 14.097 -4.704 1.00 0.00 H new ATOM 639 N SER A 70 -10.033 12.012 -3.139 1.00 0.00 N ATOM 640 CA SER A 70 -9.898 11.362 -1.839 1.00 0.00 C ATOM 641 C SER A 70 -8.691 11.874 -1.065 1.00 0.00 C ATOM 642 O SER A 70 -8.793 12.068 0.148 1.00 0.00 O ATOM 643 CB SER A 70 -9.883 9.835 -1.981 1.00 0.00 C ATOM 644 OG SER A 70 -8.703 9.349 -2.605 1.00 0.00 O ATOM 0 H SER A 70 -9.976 11.373 -3.932 1.00 0.00 H new ATOM 0 HA SER A 70 -10.777 11.627 -1.251 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.979 9.383 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.751 9.521 -2.561 1.00 0.00 H new ATOM 0 HG SER A 70 -8.816 9.369 -3.578 1.00 0.00 H new ATOM 650 N VAL A 71 -7.582 12.122 -1.772 1.00 0.00 N ATOM 651 CA VAL A 71 -6.316 12.577 -1.228 1.00 0.00 C ATOM 652 C VAL A 71 -6.512 13.940 -0.564 1.00 0.00 C ATOM 653 O VAL A 71 -6.461 14.984 -1.217 1.00 0.00 O ATOM 654 CB VAL A 71 -5.199 12.592 -2.293 1.00 0.00 C ATOM 655 CG1 VAL A 71 -3.847 12.631 -1.569 1.00 0.00 C ATOM 656 CG2 VAL A 71 -5.218 11.369 -3.220 1.00 0.00 C ATOM 0 H VAL A 71 -7.551 12.003 -2.785 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.983 11.869 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.362 13.469 -2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.041 12.642 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.790 13.529 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.748 11.750 -0.935 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.406 11.447 -3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.091 10.462 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.171 11.328 -3.748 1.00 0.00 H new ATOM 666 N GLN A 72 -6.749 13.925 0.739 1.00 0.00 N ATOM 667 CA GLN A 72 -6.545 15.013 1.646 1.00 0.00 C ATOM 668 C GLN A 72 -5.068 14.945 2.034 1.00 0.00 C ATOM 669 O GLN A 72 -4.536 13.850 2.228 1.00 0.00 O ATOM 670 CB GLN A 72 -7.408 14.694 2.867 1.00 0.00 C ATOM 671 CG GLN A 72 -7.408 15.828 3.876 1.00 0.00 C ATOM 672 CD GLN A 72 -8.445 15.639 4.981 1.00 0.00 C ATOM 673 OE1 GLN A 72 -9.155 16.576 5.355 1.00 0.00 O ATOM 674 NE2 GLN A 72 -8.569 14.454 5.551 1.00 0.00 N ATOM 0 H GLN A 72 -7.111 13.094 1.207 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.796 15.993 1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.430 14.494 2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.040 13.785 3.343 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -6.418 15.909 4.324 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.602 16.768 3.359 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.984 13.677 5.244 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.250 14.316 6.298 1.00 0.00 H new ATOM 683 N ARG A 73 -4.410 16.083 2.224 1.00 0.00 N ATOM 684 CA ARG A 73 -3.086 16.152 2.840 1.00 0.00 C ATOM 685 C ARG A 73 -3.169 17.220 3.915 1.00 0.00 C ATOM 686 O ARG A 73 -3.999 18.131 3.799 1.00 0.00 O ATOM 687 CB ARG A 73 -1.958 16.415 1.815 1.00 0.00 C ATOM 688 CG ARG A 73 -2.283 15.985 0.377 1.00 0.00 C ATOM 689 CD ARG A 73 -1.104 16.032 -0.597 1.00 0.00 C ATOM 690 NE ARG A 73 -1.598 15.957 -1.984 1.00 0.00 N ATOM 691 CZ ARG A 73 -0.875 15.909 -3.107 1.00 0.00 C ATOM 692 NH1 ARG A 73 0.454 15.903 -3.074 1.00 0.00 N ATOM 693 NH2 ARG A 73 -1.495 15.871 -4.279 1.00 0.00 N ATOM 0 H ARG A 73 -4.782 16.993 1.953 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.817 15.190 3.277 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.725 17.480 1.817 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.060 15.891 2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.676 14.969 0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.077 16.626 -0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.538 16.952 -0.452 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.423 15.204 -0.399 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.611 15.940 -2.100 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.942 15.935 -2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.986 15.866 -3.944 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.514 15.879 -4.317 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.953 15.834 -5.142 1.00 0.00 H new ATOM 758 N LEU A 78 2.916 16.447 6.377 1.00 0.00 N ATOM 759 CA LEU A 78 3.054 15.482 5.289 1.00 0.00 C ATOM 760 C LEU A 78 2.067 14.320 5.446 1.00 0.00 C ATOM 761 O LEU A 78 2.100 13.370 4.657 1.00 0.00 O ATOM 762 CB LEU A 78 4.503 14.963 5.213 1.00 0.00 C ATOM 763 CG LEU A 78 5.517 16.008 4.703 1.00 0.00 C ATOM 764 CD1 LEU A 78 6.074 16.879 5.835 1.00 0.00 C ATOM 765 CD2 LEU A 78 6.700 15.313 4.014 1.00 0.00 C ATOM 0 HA LEU A 78 2.818 15.991 4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.810 14.627 6.203 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.533 14.093 4.557 1.00 0.00 H new ATOM 0 HG LEU A 78 4.978 16.644 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.783 17.598 5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.256 17.412 6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.579 16.247 6.565 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.407 16.063 3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.198 14.653 4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.337 14.729 3.168 1.00 0.00 H new ATOM 777 N LYS A 79 1.197 14.376 6.460 1.00 0.00 N ATOM 778 CA LYS A 79 0.077 13.460 6.617 1.00 0.00 C ATOM 779 C LYS A 79 -0.756 13.483 5.348 1.00 0.00 C ATOM 780 O LYS A 79 -0.943 14.539 4.739 1.00 0.00 O ATOM 781 CB LYS A 79 -0.783 13.861 7.826 1.00 0.00 C ATOM 782 CG LYS A 79 -1.134 12.678 8.736 1.00 0.00 C ATOM 783 CD LYS A 79 -2.150 11.700 8.137 1.00 0.00 C ATOM 784 CE LYS A 79 -2.811 10.856 9.233 1.00 0.00 C ATOM 785 NZ LYS A 79 -3.931 10.035 8.724 1.00 0.00 N ATOM 0 H LYS A 79 1.258 15.072 7.203 1.00 0.00 H new ATOM 0 HA LYS A 79 0.454 12.452 6.792 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.251 14.614 8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.704 14.324 7.471 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.220 12.134 8.973 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.529 13.063 9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.913 12.253 7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.653 11.047 7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.063 10.204 9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.177 11.514 10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.086 9.227 9.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.794 10.613 8.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.701 9.686 7.771 1.00 0.00 H new ATOM 799 N VAL A 80 -1.273 12.320 4.993 1.00 0.00 N ATOM 800 CA VAL A 80 -2.214 12.123 3.918 1.00 0.00 C ATOM 801 C VAL A 80 -3.340 11.261 4.450 1.00 0.00 C ATOM 802 O VAL A 80 -3.166 10.438 5.357 1.00 0.00 O ATOM 803 CB VAL A 80 -1.571 11.466 2.676 1.00 0.00 C ATOM 804 CG1 VAL A 80 -1.942 12.264 1.433 1.00 0.00 C ATOM 805 CG2 VAL A 80 -0.053 11.364 2.714 1.00 0.00 C ATOM 0 H VAL A 80 -1.034 11.451 5.471 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.582 13.094 3.586 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.961 10.448 2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.489 11.802 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.026 12.276 1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.577 13.286 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.303 10.890 1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.377 12.362 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.250 10.767 3.574 1.00 0.00 H new ATOM 815 N THR A 81 -4.481 11.401 3.802 1.00 0.00 N ATOM 816 CA THR A 81 -5.557 10.443 3.853 1.00 0.00 C ATOM 817 C THR A 81 -6.071 10.317 2.423 1.00 0.00 C ATOM 818 O THR A 81 -6.411 11.326 1.811 1.00 0.00 O ATOM 819 CB THR A 81 -6.641 10.885 4.860 1.00 0.00 C ATOM 820 OG1 THR A 81 -6.710 12.287 5.044 1.00 0.00 O ATOM 821 CG2 THR A 81 -6.361 10.398 6.267 1.00 0.00 C ATOM 0 H THR A 81 -4.685 12.207 3.211 1.00 0.00 H new ATOM 0 HA THR A 81 -5.228 9.468 4.214 1.00 0.00 H new ATOM 0 HB THR A 81 -7.548 10.471 4.420 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.700 12.492 6.002 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.154 10.737 6.934 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.322 9.309 6.274 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.406 10.798 6.607 1.00 0.00 H new ATOM 829 N PHE A 82 -6.039 9.121 1.841 1.00 0.00 N ATOM 830 CA PHE A 82 -6.649 8.829 0.549 1.00 0.00 C ATOM 831 C PHE A 82 -7.423 7.521 0.603 1.00 0.00 C ATOM 832 O PHE A 82 -7.270 6.741 1.537 1.00 0.00 O ATOM 833 CB PHE A 82 -5.591 8.804 -0.564 1.00 0.00 C ATOM 834 CG PHE A 82 -4.501 7.740 -0.509 1.00 0.00 C ATOM 835 CD1 PHE A 82 -3.326 8.001 0.220 1.00 0.00 C ATOM 836 CD2 PHE A 82 -4.580 6.559 -1.281 1.00 0.00 C ATOM 837 CE1 PHE A 82 -2.233 7.122 0.151 1.00 0.00 C ATOM 838 CE2 PHE A 82 -3.483 5.679 -1.346 1.00 0.00 C ATOM 839 CZ PHE A 82 -2.301 5.969 -0.646 1.00 0.00 C ATOM 0 H PHE A 82 -5.580 8.314 2.263 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.355 9.627 0.317 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.113 8.695 -1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.102 9.778 -0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.264 8.885 0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.486 6.331 -1.823 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.336 7.334 0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.551 4.777 -1.937 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.449 5.309 -0.720 1.00 0.00 H new ATOM 849 N THR A 83 -8.189 7.239 -0.444 1.00 0.00 N ATOM 850 CA THR A 83 -8.868 5.971 -0.648 1.00 0.00 C ATOM 851 C THR A 83 -8.294 5.374 -1.934 1.00 0.00 C ATOM 852 O THR A 83 -7.951 6.111 -2.864 1.00 0.00 O ATOM 853 CB THR A 83 -10.384 6.225 -0.720 1.00 0.00 C ATOM 854 OG1 THR A 83 -10.823 7.024 0.370 1.00 0.00 O ATOM 855 CG2 THR A 83 -11.224 4.946 -0.749 1.00 0.00 C ATOM 0 H THR A 83 -8.358 7.908 -1.195 1.00 0.00 H new ATOM 0 HA THR A 83 -8.712 5.264 0.167 1.00 0.00 H new ATOM 0 HB THR A 83 -10.535 6.746 -1.665 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.461 6.664 1.206 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.281 5.206 -0.800 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.954 4.353 -1.623 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.036 4.367 0.155 1.00 0.00 H new ATOM 863 N ILE A 84 -8.175 4.052 -2.005 1.00 0.00 N ATOM 864 CA ILE A 84 -7.743 3.315 -3.180 1.00 0.00 C ATOM 865 C ILE A 84 -8.821 2.280 -3.460 1.00 0.00 C ATOM 866 O ILE A 84 -9.365 1.680 -2.536 1.00 0.00 O ATOM 867 CB ILE A 84 -6.348 2.664 -3.004 1.00 0.00 C ATOM 868 CG1 ILE A 84 -5.886 2.530 -1.552 1.00 0.00 C ATOM 869 CG2 ILE A 84 -5.279 3.435 -3.789 1.00 0.00 C ATOM 870 CD1 ILE A 84 -4.679 1.591 -1.404 1.00 0.00 C ATOM 0 H ILE A 84 -8.386 3.444 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.622 3.994 -4.024 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.467 1.654 -3.396 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.626 3.515 -1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.710 2.156 -0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.309 2.957 -3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.534 3.434 -4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.233 4.463 -3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.391 1.531 -0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.945 0.597 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.844 1.978 -1.988 1.00 0.00 H new ATOM 882 N TYR A 85 -9.140 2.086 -4.730 1.00 0.00 N ATOM 883 CA TYR A 85 -10.190 1.214 -5.210 1.00 0.00 C ATOM 884 C TYR A 85 -9.657 0.404 -6.383 1.00 0.00 C ATOM 885 O TYR A 85 -8.521 0.580 -6.818 1.00 0.00 O ATOM 886 CB TYR A 85 -11.425 2.046 -5.585 1.00 0.00 C ATOM 887 CG TYR A 85 -11.292 2.819 -6.880 1.00 0.00 C ATOM 888 CD1 TYR A 85 -10.497 3.974 -6.936 1.00 0.00 C ATOM 889 CD2 TYR A 85 -11.893 2.332 -8.052 1.00 0.00 C ATOM 890 CE1 TYR A 85 -10.233 4.612 -8.156 1.00 0.00 C ATOM 891 CE2 TYR A 85 -11.666 2.977 -9.276 1.00 0.00 C ATOM 892 CZ TYR A 85 -10.806 4.097 -9.340 1.00 0.00 C ATOM 893 OH TYR A 85 -10.517 4.661 -10.542 1.00 0.00 O ATOM 0 H TYR A 85 -8.647 2.558 -5.488 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.500 0.516 -4.432 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.286 1.382 -5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.633 2.748 -4.777 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.082 4.378 -6.024 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.530 1.461 -8.011 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.600 5.486 -8.190 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.149 2.617 -10.172 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.646 4.339 -10.854 1.00 0.00 H new ATOM 903 N ASP A 86 -10.471 -0.507 -6.877 1.00 0.00 N ATOM 904 CA ASP A 86 -10.314 -1.133 -8.183 1.00 0.00 C ATOM 905 C ASP A 86 -11.734 -1.454 -8.646 1.00 0.00 C ATOM 906 O ASP A 86 -12.698 -1.026 -8.010 1.00 0.00 O ATOM 907 CB ASP A 86 -9.399 -2.369 -8.083 1.00 0.00 C ATOM 908 CG ASP A 86 -9.055 -3.005 -9.433 1.00 0.00 C ATOM 909 OD1 ASP A 86 -8.941 -2.305 -10.463 1.00 0.00 O ATOM 910 OD2 ASP A 86 -8.892 -4.247 -9.480 1.00 0.00 O ATOM 0 H ASP A 86 -11.287 -0.846 -6.368 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.823 -0.488 -8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.474 -2.083 -7.582 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.884 -3.116 -7.455 1.00 0.00 H new ATOM 915 N ALA A 87 -11.903 -2.217 -9.719 1.00 0.00 N ATOM 916 CA ALA A 87 -13.198 -2.633 -10.245 1.00 0.00 C ATOM 917 C ALA A 87 -14.050 -3.486 -9.278 1.00 0.00 C ATOM 918 O ALA A 87 -15.110 -3.961 -9.690 1.00 0.00 O ATOM 919 CB ALA A 87 -12.944 -3.392 -11.549 1.00 0.00 C ATOM 0 H ALA A 87 -11.119 -2.575 -10.264 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.791 -1.733 -10.403 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.894 -3.719 -11.971 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.438 -2.737 -12.258 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.318 -4.262 -11.348 1.00 0.00 H new ATOM 925 N GLU A 88 -13.642 -3.675 -8.022 1.00 0.00 N ATOM 926 CA GLU A 88 -14.237 -4.596 -7.059 1.00 0.00 C ATOM 927 C GLU A 88 -14.747 -3.808 -5.842 1.00 0.00 C ATOM 928 O GLU A 88 -15.950 -3.734 -5.616 1.00 0.00 O ATOM 929 CB GLU A 88 -13.275 -5.743 -6.663 1.00 0.00 C ATOM 930 CG GLU A 88 -11.976 -5.897 -7.470 1.00 0.00 C ATOM 931 CD GLU A 88 -12.093 -6.729 -8.749 1.00 0.00 C ATOM 932 OE1 GLU A 88 -12.422 -6.167 -9.816 1.00 0.00 O ATOM 933 OE2 GLU A 88 -11.717 -7.922 -8.743 1.00 0.00 O ATOM 0 H GLU A 88 -12.850 -3.164 -7.633 1.00 0.00 H new ATOM 0 HA GLU A 88 -15.087 -5.088 -7.532 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.005 -5.608 -5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.826 -6.681 -6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.613 -4.904 -7.735 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.221 -6.352 -6.828 1.00 0.00 H new ATOM 940 N GLY A 89 -13.838 -3.247 -5.036 1.00 0.00 N ATOM 941 CA GLY A 89 -14.131 -2.585 -3.770 1.00 0.00 C ATOM 942 C GLY A 89 -13.184 -1.410 -3.553 1.00 0.00 C ATOM 943 O GLY A 89 -12.476 -1.006 -4.481 1.00 0.00 O ATOM 0 H GLY A 89 -12.843 -3.244 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.163 -2.234 -3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.033 -3.296 -2.949 1.00 0.00 H new ATOM 947 N SER A 90 -13.157 -0.850 -2.338 1.00 0.00 N ATOM 948 CA SER A 90 -12.162 0.149 -1.965 1.00 0.00 C ATOM 949 C SER A 90 -11.698 0.007 -0.511 1.00 0.00 C ATOM 950 O SER A 90 -12.396 -0.599 0.310 1.00 0.00 O ATOM 951 CB SER A 90 -12.669 1.546 -2.329 1.00 0.00 C ATOM 952 OG SER A 90 -13.706 2.021 -1.488 1.00 0.00 O ATOM 0 H SER A 90 -13.819 -1.077 -1.596 1.00 0.00 H new ATOM 0 HA SER A 90 -11.256 -0.024 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.834 2.246 -2.290 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.027 1.534 -3.359 1.00 0.00 H new ATOM 0 HG SER A 90 -13.978 2.917 -1.778 1.00 0.00 H new ATOM 958 N VAL A 91 -10.539 0.591 -0.194 1.00 0.00 N ATOM 959 CA VAL A 91 -9.901 0.638 1.121 1.00 0.00 C ATOM 960 C VAL A 91 -9.383 2.049 1.346 1.00 0.00 C ATOM 961 O VAL A 91 -9.090 2.762 0.381 1.00 0.00 O ATOM 962 CB VAL A 91 -8.757 -0.404 1.236 1.00 0.00 C ATOM 963 CG1 VAL A 91 -9.295 -1.813 1.006 1.00 0.00 C ATOM 964 CG2 VAL A 91 -7.570 -0.177 0.289 1.00 0.00 C ATOM 0 H VAL A 91 -9.985 1.076 -0.900 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.630 0.383 1.890 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.376 -0.279 2.249 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.480 -2.532 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.056 -2.038 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.734 -1.877 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.825 -0.957 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.917 -0.210 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.124 0.797 0.491 1.00 0.00 H new ATOM 974 N ASP A 92 -9.258 2.444 2.608 1.00 0.00 N ATOM 975 CA ASP A 92 -8.688 3.735 2.962 1.00 0.00 C ATOM 976 C ASP A 92 -7.201 3.566 3.241 1.00 0.00 C ATOM 977 O ASP A 92 -6.726 2.470 3.560 1.00 0.00 O ATOM 978 CB ASP A 92 -9.444 4.387 4.130 1.00 0.00 C ATOM 979 CG ASP A 92 -10.675 5.121 3.583 1.00 0.00 C ATOM 980 OD1 ASP A 92 -10.509 6.122 2.850 1.00 0.00 O ATOM 981 OD2 ASP A 92 -11.813 4.646 3.800 1.00 0.00 O ATOM 0 H ASP A 92 -9.547 1.882 3.408 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.799 4.422 2.123 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.748 3.629 4.851 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.793 5.085 4.657 1.00 0.00 H new ATOM 986 N VAL A 93 -6.455 4.661 3.148 1.00 0.00 N ATOM 987 CA VAL A 93 -5.036 4.734 3.420 1.00 0.00 C ATOM 988 C VAL A 93 -4.767 6.025 4.188 1.00 0.00 C ATOM 989 O VAL A 93 -4.963 7.125 3.668 1.00 0.00 O ATOM 990 CB VAL A 93 -4.200 4.663 2.130 1.00 0.00 C ATOM 991 CG1 VAL A 93 -2.715 4.784 2.498 1.00 0.00 C ATOM 992 CG2 VAL A 93 -4.399 3.353 1.355 1.00 0.00 C ATOM 0 H VAL A 93 -6.847 5.560 2.868 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.736 3.875 4.020 1.00 0.00 H new ATOM 0 HB VAL A 93 -4.530 5.479 1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.111 4.735 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.541 5.736 3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.437 3.967 3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.783 3.365 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.109 2.511 1.983 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -5.447 3.252 1.075 1.00 0.00 H new ATOM 1002 N SER A 94 -4.233 5.884 5.394 1.00 0.00 N ATOM 1003 CA SER A 94 -3.430 6.896 6.043 1.00 0.00 C ATOM 1004 C SER A 94 -1.997 6.645 5.589 1.00 0.00 C ATOM 1005 O SER A 94 -1.516 5.514 5.670 1.00 0.00 O ATOM 1006 CB SER A 94 -3.585 6.744 7.553 1.00 0.00 C ATOM 1007 OG SER A 94 -4.823 7.306 7.940 1.00 0.00 O ATOM 0 H SER A 94 -4.353 5.041 5.956 1.00 0.00 H new ATOM 0 HA SER A 94 -3.729 7.913 5.787 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.544 5.691 7.833 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.765 7.244 8.069 1.00 0.00 H new ATOM 0 HG SER A 94 -4.936 7.213 8.909 1.00 0.00 H new ATOM 1013 N TYR A 95 -1.315 7.671 5.091 1.00 0.00 N ATOM 1014 CA TYR A 95 0.131 7.694 5.005 1.00 0.00 C ATOM 1015 C TYR A 95 0.564 8.958 5.728 1.00 0.00 C ATOM 1016 O TYR A 95 -0.220 9.895 5.870 1.00 0.00 O ATOM 1017 CB TYR A 95 0.584 7.702 3.537 1.00 0.00 C ATOM 1018 CG TYR A 95 2.091 7.782 3.326 1.00 0.00 C ATOM 1019 CD1 TYR A 95 2.975 6.926 4.005 1.00 0.00 C ATOM 1020 CD2 TYR A 95 2.619 8.747 2.456 1.00 0.00 C ATOM 1021 CE1 TYR A 95 4.364 7.046 3.812 1.00 0.00 C ATOM 1022 CE2 TYR A 95 3.997 8.815 2.182 1.00 0.00 C ATOM 1023 CZ TYR A 95 4.884 7.985 2.896 1.00 0.00 C ATOM 1024 OH TYR A 95 6.233 8.127 2.757 1.00 0.00 O ATOM 0 H TYR A 95 -1.760 8.516 4.733 1.00 0.00 H new ATOM 0 HA TYR A 95 0.581 6.810 5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.213 6.799 3.053 1.00 0.00 H new ATOM 0 HB3 TYR A 95 0.117 8.548 3.033 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.587 6.174 4.677 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.952 9.454 1.986 1.00 0.00 H new ATOM 0 HE1 TYR A 95 5.038 6.413 4.370 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.371 9.496 1.432 1.00 0.00 H new ATOM 0 HH TYR A 95 6.423 8.746 2.021 1.00 0.00 H new ATOM 1034 N GLU A 96 1.823 9.045 6.115 1.00 0.00 N ATOM 1035 CA GLU A 96 2.404 10.271 6.598 1.00 0.00 C ATOM 1036 C GLU A 96 3.850 10.250 6.152 1.00 0.00 C ATOM 1037 O GLU A 96 4.640 9.421 6.612 1.00 0.00 O ATOM 1038 CB GLU A 96 2.225 10.395 8.118 1.00 0.00 C ATOM 1039 CG GLU A 96 2.855 11.707 8.597 1.00 0.00 C ATOM 1040 CD GLU A 96 2.849 11.855 10.114 1.00 0.00 C ATOM 1041 OE1 GLU A 96 1.773 12.151 10.686 1.00 0.00 O ATOM 1042 OE2 GLU A 96 3.943 11.762 10.716 1.00 0.00 O ATOM 0 H GLU A 96 2.471 8.257 6.101 1.00 0.00 H new ATOM 0 HA GLU A 96 1.913 11.156 6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.166 10.372 8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 96 2.693 9.549 8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.882 11.763 8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.316 12.545 8.154 1.00 0.00 H new ATOM 1049 N GLY A 97 4.198 11.144 5.231 1.00 0.00 N ATOM 1050 CA GLY A 97 5.600 11.302 4.875 1.00 0.00 C ATOM 1051 C GLY A 97 5.796 11.741 3.447 1.00 0.00 C ATOM 1052 O GLY A 97 4.913 12.339 2.838 1.00 0.00 O ATOM 0 H GLY A 97 3.549 11.752 4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.059 12.033 5.541 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.119 10.357 5.034 1.00 0.00 H new ATOM 1056 N ILE A 98 7.000 11.507 2.937 1.00 0.00 N ATOM 1057 CA ILE A 98 7.433 12.041 1.666 1.00 0.00 C ATOM 1058 C ILE A 98 6.833 11.127 0.611 1.00 0.00 C ATOM 1059 O ILE A 98 7.088 9.917 0.566 1.00 0.00 O ATOM 1060 CB ILE A 98 8.961 12.261 1.625 1.00 0.00 C ATOM 1061 CG1 ILE A 98 9.368 13.174 0.448 1.00 0.00 C ATOM 1062 CG2 ILE A 98 9.766 10.957 1.582 1.00 0.00 C ATOM 1063 CD1 ILE A 98 8.826 14.606 0.590 1.00 0.00 C ATOM 0 H ILE A 98 7.704 10.935 3.404 1.00 0.00 H new ATOM 0 HA ILE A 98 7.073 13.052 1.473 1.00 0.00 H new ATOM 0 HB ILE A 98 9.208 12.755 2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.455 13.207 0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 98 9.002 12.743 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A 98 10.831 11.188 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.546 10.364 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.494 10.391 0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.144 15.202 -0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.737 14.581 0.630 1.00 0.00 H new ATOM 0 HD13 ILE A 98 9.213 15.052 1.506 1.00 0.00 H new ATOM 1075 N LEU A 99 5.883 11.689 -0.116 1.00 0.00 N ATOM 1076 CA LEU A 99 5.027 10.947 -1.012 1.00 0.00 C ATOM 1077 C LEU A 99 5.750 10.821 -2.353 1.00 0.00 C ATOM 1078 O LEU A 99 6.533 11.719 -2.686 1.00 0.00 O ATOM 1079 CB LEU A 99 3.686 11.703 -1.064 1.00 0.00 C ATOM 1080 CG LEU A 99 2.511 10.934 -1.675 1.00 0.00 C ATOM 1081 CD1 LEU A 99 2.242 9.609 -0.943 1.00 0.00 C ATOM 1082 CD2 LEU A 99 1.246 11.800 -1.568 1.00 0.00 C ATOM 0 H LEU A 99 5.685 12.689 -0.097 1.00 0.00 H new ATOM 0 HA LEU A 99 4.811 9.928 -0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.416 11.996 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.830 12.621 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 99 2.764 10.710 -2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.400 9.099 -1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.127 8.976 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.007 9.812 0.102 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.401 11.264 -2.000 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.041 12.017 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.398 12.734 -2.109 1.00 0.00 H new ATOM 1094 N PRO A 100 5.556 9.731 -3.120 1.00 0.00 N ATOM 1095 CA PRO A 100 6.130 9.623 -4.451 1.00 0.00 C ATOM 1096 C PRO A 100 5.689 10.829 -5.250 1.00 0.00 C ATOM 1097 O PRO A 100 4.503 11.156 -5.261 1.00 0.00 O ATOM 1098 CB PRO A 100 5.590 8.338 -5.077 1.00 0.00 C ATOM 1099 CG PRO A 100 5.175 7.526 -3.862 1.00 0.00 C ATOM 1100 CD PRO A 100 4.741 8.561 -2.842 1.00 0.00 C ATOM 0 HA PRO A 100 7.219 9.591 -4.428 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.748 8.533 -5.741 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.349 7.825 -5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.362 6.840 -4.102 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.001 6.922 -3.487 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.679 8.788 -2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.899 8.203 -1.825 1.00 0.00 H new ATOM 1108 N ASP A 101 6.617 11.487 -5.923 1.00 0.00 N ATOM 1109 CA ASP A 101 6.274 12.668 -6.697 1.00 0.00 C ATOM 1110 C ASP A 101 5.440 12.273 -7.927 1.00 0.00 C ATOM 1111 O ASP A 101 4.732 13.103 -8.501 1.00 0.00 O ATOM 1112 CB ASP A 101 7.556 13.417 -7.055 1.00 0.00 C ATOM 1113 CG ASP A 101 7.317 14.921 -7.048 1.00 0.00 C ATOM 1114 OD1 ASP A 101 7.362 15.545 -5.959 1.00 0.00 O ATOM 1115 OD2 ASP A 101 7.067 15.464 -8.150 1.00 0.00 O ATOM 0 H ASP A 101 7.603 11.228 -5.950 1.00 0.00 H new ATOM 0 HA ASP A 101 5.652 13.344 -6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.342 13.165 -6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.904 13.103 -8.039 1.00 0.00 H new ATOM 1120 N LEU A 102 5.466 10.982 -8.294 1.00 0.00 N ATOM 1121 CA LEU A 102 4.574 10.359 -9.258 1.00 0.00 C ATOM 1122 C LEU A 102 3.175 10.079 -8.712 1.00 0.00 C ATOM 1123 O LEU A 102 2.264 9.973 -9.527 1.00 0.00 O ATOM 1124 CB LEU A 102 5.168 9.024 -9.739 1.00 0.00 C ATOM 1125 CG LEU A 102 6.058 9.212 -10.978 1.00 0.00 C ATOM 1126 CD1 LEU A 102 7.517 9.421 -10.590 1.00 0.00 C ATOM 1127 CD2 LEU A 102 5.951 7.980 -11.866 1.00 0.00 C ATOM 0 H LEU A 102 6.142 10.324 -7.905 1.00 0.00 H new ATOM 0 HA LEU A 102 4.477 11.076 -10.073 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.752 8.575 -8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 102 4.361 8.330 -9.972 1.00 0.00 H new ATOM 0 HG LEU A 102 5.714 10.099 -11.511 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.118 9.551 -11.490 1.00 0.00 H new ATOM 0 HD12 LEU A 102 7.604 10.310 -9.965 1.00 0.00 H new ATOM 0 HD13 LEU A 102 7.874 8.552 -10.037 1.00 0.00 H new ATOM 0 HD21 LEU A 102 6.581 8.110 -12.746 1.00 0.00 H new ATOM 0 HD22 LEU A 102 6.280 7.102 -11.311 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.915 7.845 -12.178 1.00 0.00 H new ATOM 1139 N PHE A 103 2.981 9.915 -7.395 1.00 0.00 N ATOM 1140 CA PHE A 103 1.674 9.611 -6.822 1.00 0.00 C ATOM 1141 C PHE A 103 0.599 10.600 -7.297 1.00 0.00 C ATOM 1142 O PHE A 103 0.717 11.812 -7.086 1.00 0.00 O ATOM 1143 CB PHE A 103 1.790 9.600 -5.300 1.00 0.00 C ATOM 1144 CG PHE A 103 0.528 9.178 -4.594 1.00 0.00 C ATOM 1145 CD1 PHE A 103 -0.442 10.141 -4.276 1.00 0.00 C ATOM 1146 CD2 PHE A 103 0.318 7.831 -4.262 1.00 0.00 C ATOM 1147 CE1 PHE A 103 -1.620 9.772 -3.610 1.00 0.00 C ATOM 1148 CE2 PHE A 103 -0.846 7.471 -3.561 1.00 0.00 C ATOM 1149 CZ PHE A 103 -1.818 8.433 -3.240 1.00 0.00 C ATOM 0 H PHE A 103 3.728 9.990 -6.704 1.00 0.00 H new ATOM 0 HA PHE A 103 1.357 8.626 -7.166 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.598 8.927 -5.012 1.00 0.00 H new ATOM 0 HB3 PHE A 103 2.069 10.597 -4.960 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -0.280 11.174 -4.546 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.042 7.080 -4.542 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.371 10.515 -3.383 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -0.995 6.443 -3.266 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.714 8.143 -2.711 1.00 0.00 H new ATOM 1159 N ARG A 104 -0.470 10.102 -7.931 1.00 0.00 N ATOM 1160 CA ARG A 104 -1.559 10.937 -8.436 1.00 0.00 C ATOM 1161 C ARG A 104 -2.920 10.356 -8.121 1.00 0.00 C ATOM 1162 O ARG A 104 -3.116 9.152 -7.949 1.00 0.00 O ATOM 1163 CB ARG A 104 -1.451 11.191 -9.955 1.00 0.00 C ATOM 1164 CG ARG A 104 -0.247 12.025 -10.367 1.00 0.00 C ATOM 1165 CD ARG A 104 -0.573 13.514 -10.275 1.00 0.00 C ATOM 1166 NE ARG A 104 0.640 14.330 -10.305 1.00 0.00 N ATOM 1167 CZ ARG A 104 0.725 15.621 -9.985 1.00 0.00 C ATOM 1168 NH1 ARG A 104 -0.369 16.309 -9.661 1.00 0.00 N ATOM 1169 NH2 ARG A 104 1.921 16.199 -10.016 1.00 0.00 N ATOM 0 H ARG A 104 -0.601 9.106 -8.107 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.457 11.890 -7.917 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -1.406 10.231 -10.470 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -2.358 11.692 -10.293 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.602 11.792 -9.724 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.046 11.773 -11.386 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -1.224 13.797 -11.102 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -1.123 13.711 -9.355 1.00 0.00 H new ATOM 0 HE ARG A 104 1.501 13.868 -10.598 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.279 15.848 -9.657 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.297 17.297 -9.417 1.00 0.00 H new ATOM 0 HH21 ARG A 104 2.743 15.656 -10.280 1.00 0.00 H new ATOM 0 HH22 ARG A 104 2.017 17.186 -9.776 1.00 0.00 H new ATOM 1183 N GLU A 105 -3.872 11.270 -8.129 1.00 0.00 N ATOM 1184 CA GLU A 105 -5.288 11.080 -7.967 1.00 0.00 C ATOM 1185 C GLU A 105 -5.813 10.414 -9.236 1.00 0.00 C ATOM 1186 O GLU A 105 -6.064 11.077 -10.252 1.00 0.00 O ATOM 1187 CB GLU A 105 -5.920 12.456 -7.710 1.00 0.00 C ATOM 1188 CG GLU A 105 -5.391 13.125 -6.430 1.00 0.00 C ATOM 1189 CD GLU A 105 -4.135 14.014 -6.574 1.00 0.00 C ATOM 1190 OE1 GLU A 105 -3.363 13.909 -7.558 1.00 0.00 O ATOM 1191 OE2 GLU A 105 -3.823 14.763 -5.616 1.00 0.00 O ATOM 0 H GLU A 105 -3.644 12.255 -8.262 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.537 10.437 -7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.723 13.106 -8.562 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.002 12.346 -7.636 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.191 13.734 -6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -5.171 12.342 -5.704 1.00 0.00 H new ATOM 1198 N GLY A 106 -5.924 9.090 -9.178 1.00 0.00 N ATOM 1199 CA GLY A 106 -6.363 8.241 -10.272 1.00 0.00 C ATOM 1200 C GLY A 106 -5.220 7.495 -10.954 1.00 0.00 C ATOM 1201 O GLY A 106 -5.278 7.298 -12.163 1.00 0.00 O ATOM 0 H GLY A 106 -5.701 8.563 -8.334 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.085 7.517 -9.894 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.881 8.852 -11.011 1.00 0.00 H new ATOM 1205 N GLN A 107 -4.166 7.086 -10.241 1.00 0.00 N ATOM 1206 CA GLN A 107 -3.214 6.100 -10.768 1.00 0.00 C ATOM 1207 C GLN A 107 -3.153 4.880 -9.854 1.00 0.00 C ATOM 1208 O GLN A 107 -3.635 4.933 -8.720 1.00 0.00 O ATOM 1209 CB GLN A 107 -1.827 6.707 -11.028 1.00 0.00 C ATOM 1210 CG GLN A 107 -1.193 7.364 -9.808 1.00 0.00 C ATOM 1211 CD GLN A 107 0.328 7.298 -9.818 1.00 0.00 C ATOM 1212 OE1 GLN A 107 0.918 7.018 -8.787 1.00 0.00 O ATOM 1213 NE2 GLN A 107 0.990 7.546 -10.934 1.00 0.00 N ATOM 0 H GLN A 107 -3.950 7.420 -9.302 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.578 5.771 -11.741 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.162 5.923 -11.391 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -1.910 7.448 -11.823 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.505 8.407 -9.761 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.566 6.879 -8.906 1.00 0.00 H new ATOM 0 HE21 GLN A 107 0.482 7.779 -11.787 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.009 7.505 -10.942 1.00 0.00 H new ATOM 1222 N GLY A 108 -2.593 3.784 -10.369 1.00 0.00 N ATOM 1223 CA GLY A 108 -2.569 2.468 -9.747 1.00 0.00 C ATOM 1224 C GLY A 108 -1.335 2.348 -8.866 1.00 0.00 C ATOM 1225 O GLY A 108 -0.312 1.842 -9.314 1.00 0.00 O ATOM 0 H GLY A 108 -2.123 3.795 -11.274 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.470 2.318 -9.152 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.560 1.692 -10.512 1.00 0.00 H new ATOM 1229 N VAL A 109 -1.411 2.838 -7.640 1.00 0.00 N ATOM 1230 CA VAL A 109 -0.300 2.879 -6.689 1.00 0.00 C ATOM 1231 C VAL A 109 -0.136 1.482 -6.045 1.00 0.00 C ATOM 1232 O VAL A 109 -0.894 0.555 -6.335 1.00 0.00 O ATOM 1233 CB VAL A 109 -0.542 4.015 -5.676 1.00 0.00 C ATOM 1234 CG1 VAL A 109 -0.851 5.319 -6.425 1.00 0.00 C ATOM 1235 CG2 VAL A 109 -1.606 3.679 -4.633 1.00 0.00 C ATOM 0 H VAL A 109 -2.273 3.232 -7.262 1.00 0.00 H new ATOM 0 HA VAL A 109 0.645 3.105 -7.183 1.00 0.00 H new ATOM 0 HB VAL A 109 0.376 4.148 -5.103 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.022 6.120 -5.706 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.008 5.579 -7.065 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.743 5.185 -7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.726 4.521 -3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.554 3.478 -5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.298 2.798 -4.070 1.00 0.00 H new ATOM 1245 N VAL A 110 0.826 1.327 -5.142 1.00 0.00 N ATOM 1246 CA VAL A 110 1.009 0.208 -4.233 1.00 0.00 C ATOM 1247 C VAL A 110 1.114 0.826 -2.836 1.00 0.00 C ATOM 1248 O VAL A 110 1.815 1.820 -2.662 1.00 0.00 O ATOM 1249 CB VAL A 110 2.243 -0.616 -4.677 1.00 0.00 C ATOM 1250 CG1 VAL A 110 3.013 -1.304 -3.545 1.00 0.00 C ATOM 1251 CG2 VAL A 110 1.823 -1.705 -5.675 1.00 0.00 C ATOM 0 H VAL A 110 1.551 2.034 -5.020 1.00 0.00 H new ATOM 0 HA VAL A 110 0.186 -0.506 -4.233 1.00 0.00 H new ATOM 0 HB VAL A 110 2.912 0.122 -5.120 1.00 0.00 H new ATOM 0 HG11 VAL A 110 3.857 -1.854 -3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 110 3.379 -0.553 -2.845 1.00 0.00 H new ATOM 0 HG13 VAL A 110 2.352 -1.995 -3.023 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.699 -2.277 -5.979 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.100 -2.371 -5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.371 -1.241 -6.551 1.00 0.00 H new ATOM 1261 N VAL A 111 0.442 0.256 -1.842 1.00 0.00 N ATOM 1262 CA VAL A 111 0.649 0.622 -0.470 1.00 0.00 C ATOM 1263 C VAL A 111 1.456 -0.493 0.164 1.00 0.00 C ATOM 1264 O VAL A 111 1.536 -1.605 -0.357 1.00 0.00 O ATOM 1265 CB VAL A 111 -0.735 0.884 0.145 1.00 0.00 C ATOM 1266 CG1 VAL A 111 -1.166 0.002 1.318 1.00 0.00 C ATOM 1267 CG2 VAL A 111 -0.813 2.358 0.495 1.00 0.00 C ATOM 0 H VAL A 111 -0.259 -0.472 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 111 1.220 1.537 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.459 0.597 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -2.161 0.299 1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -1.185 -1.041 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.460 0.119 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.786 2.577 0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.028 2.604 1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.681 2.954 -0.408 1.00 0.00 H new ATOM 1277 N GLN A 112 2.031 -0.177 1.306 1.00 0.00 N ATOM 1278 CA GLN A 112 2.580 -1.123 2.260 1.00 0.00 C ATOM 1279 C GLN A 112 2.692 -0.392 3.559 1.00 0.00 C ATOM 1280 O GLN A 112 2.962 0.808 3.548 1.00 0.00 O ATOM 1281 CB GLN A 112 3.939 -1.675 1.794 1.00 0.00 C ATOM 1282 CG GLN A 112 4.749 -2.414 2.875 1.00 0.00 C ATOM 1283 CD GLN A 112 5.595 -3.527 2.283 1.00 0.00 C ATOM 1284 OE1 GLN A 112 5.316 -4.700 2.503 1.00 0.00 O ATOM 1285 NE2 GLN A 112 6.642 -3.206 1.551 1.00 0.00 N ATOM 0 H GLN A 112 2.134 0.791 1.610 1.00 0.00 H new ATOM 0 HA GLN A 112 1.934 -1.995 2.362 1.00 0.00 H new ATOM 0 HB2 GLN A 112 3.770 -2.356 0.960 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.539 -0.848 1.414 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.393 -1.705 3.395 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.069 -2.830 3.618 1.00 0.00 H new ATOM 0 HE21 GLN A 112 6.861 -2.225 1.377 1.00 0.00 H new ATOM 0 HE22 GLN A 112 7.234 -3.938 1.158 1.00 0.00 H new ATOM 1294 N GLY A 113 2.456 -1.139 4.625 1.00 0.00 N ATOM 1295 CA GLY A 113 2.459 -0.725 5.998 1.00 0.00 C ATOM 1296 C GLY A 113 1.510 -1.704 6.662 1.00 0.00 C ATOM 1297 O GLY A 113 1.621 -2.902 6.394 1.00 0.00 O ATOM 0 H GLY A 113 2.241 -2.132 4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.458 -0.777 6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.117 0.304 6.108 1.00 0.00 H new ATOM 1301 N GLU A 114 0.572 -1.263 7.487 1.00 0.00 N ATOM 1302 CA GLU A 114 -0.067 -2.122 8.458 1.00 0.00 C ATOM 1303 C GLU A 114 -1.560 -1.918 8.431 1.00 0.00 C ATOM 1304 O GLU A 114 -2.055 -0.883 7.996 1.00 0.00 O ATOM 1305 CB GLU A 114 0.534 -1.834 9.839 1.00 0.00 C ATOM 1306 CG GLU A 114 1.884 -2.548 9.965 1.00 0.00 C ATOM 1307 CD GLU A 114 2.671 -2.214 11.220 1.00 0.00 C ATOM 1308 OE1 GLU A 114 2.349 -2.734 12.318 1.00 0.00 O ATOM 1309 OE2 GLU A 114 3.744 -1.590 11.075 1.00 0.00 O ATOM 0 H GLU A 114 0.237 -0.300 7.498 1.00 0.00 H new ATOM 0 HA GLU A 114 0.112 -3.170 8.217 1.00 0.00 H new ATOM 0 HB2 GLU A 114 0.664 -0.760 9.975 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.144 -2.174 10.621 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.713 -3.624 9.937 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.492 -2.299 9.096 1.00 0.00 H new ATOM 1316 N LEU A 115 -2.276 -2.961 8.823 1.00 0.00 N ATOM 1317 CA LEU A 115 -3.723 -2.950 8.836 1.00 0.00 C ATOM 1318 C LEU A 115 -4.196 -2.087 10.014 1.00 0.00 C ATOM 1319 O LEU A 115 -3.679 -2.251 11.119 1.00 0.00 O ATOM 1320 CB LEU A 115 -4.206 -4.403 8.904 1.00 0.00 C ATOM 1321 CG LEU A 115 -5.498 -4.657 8.090 1.00 0.00 C ATOM 1322 CD1 LEU A 115 -6.164 -5.972 8.479 1.00 0.00 C ATOM 1323 CD2 LEU A 115 -6.539 -3.538 8.016 1.00 0.00 C ATOM 0 H LEU A 115 -1.865 -3.839 9.141 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.146 -2.508 7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.417 -5.059 8.535 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.382 -4.672 9.946 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.106 -4.703 7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.067 -6.112 7.885 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.476 -6.797 8.294 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.426 -5.948 9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.384 -3.867 7.412 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.884 -3.295 9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.091 -2.654 7.562 1.00 0.00 H new ATOM 1335 N GLU A 116 -5.134 -1.159 9.784 1.00 0.00 N ATOM 1336 CA GLU A 116 -5.592 -0.217 10.803 1.00 0.00 C ATOM 1337 C GLU A 116 -6.713 -0.846 11.615 1.00 0.00 C ATOM 1338 O GLU A 116 -6.586 -1.002 12.827 1.00 0.00 O ATOM 1339 CB GLU A 116 -6.076 1.097 10.163 1.00 0.00 C ATOM 1340 CG GLU A 116 -6.098 2.289 11.144 1.00 0.00 C ATOM 1341 CD GLU A 116 -7.449 2.768 11.675 1.00 0.00 C ATOM 1342 OE1 GLU A 116 -8.514 2.546 11.056 1.00 0.00 O ATOM 1343 OE2 GLU A 116 -7.429 3.522 12.679 1.00 0.00 O ATOM 0 H GLU A 116 -5.595 -1.043 8.882 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.754 0.016 11.460 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.429 1.342 9.321 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -7.078 0.949 9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.479 2.025 12.001 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.616 3.134 10.651 1.00 0.00 H new ATOM 1350 N LYS A 117 -7.836 -1.167 10.960 1.00 0.00 N ATOM 1351 CA LYS A 117 -8.998 -1.714 11.644 1.00 0.00 C ATOM 1352 C LYS A 117 -9.848 -2.629 10.782 1.00 0.00 C ATOM 1353 O LYS A 117 -9.877 -3.823 11.057 1.00 0.00 O ATOM 1354 CB LYS A 117 -9.801 -0.589 12.324 1.00 0.00 C ATOM 1355 CG LYS A 117 -9.830 -0.773 13.847 1.00 0.00 C ATOM 1356 CD LYS A 117 -10.926 -1.729 14.330 1.00 0.00 C ATOM 1357 CE LYS A 117 -10.528 -3.207 14.246 1.00 0.00 C ATOM 1358 NZ LYS A 117 -9.629 -3.583 15.354 1.00 0.00 N ATOM 0 H LYS A 117 -7.957 -1.054 9.954 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.627 -2.375 12.427 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.358 0.377 12.080 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -10.820 -0.580 11.936 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.861 -1.148 14.178 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.974 0.199 14.319 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.179 -1.487 15.362 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -11.825 -1.569 13.735 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.423 -3.829 14.273 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.035 -3.400 13.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -9.377 -4.589 15.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -8.766 -3.005 15.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -10.110 -3.421 16.262 1.00 0.00 H new ATOM 1372 N GLY A 118 -10.591 -2.091 9.816 1.00 0.00 N ATOM 1373 CA GLY A 118 -11.500 -2.885 9.005 1.00 0.00 C ATOM 1374 C GLY A 118 -10.876 -3.104 7.643 1.00 0.00 C ATOM 1375 O GLY A 118 -10.378 -4.183 7.328 1.00 0.00 O ATOM 0 H GLY A 118 -10.577 -1.099 9.578 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -11.698 -3.842 9.488 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.458 -2.375 8.903 1.00 0.00 H new ATOM 1379 N ASN A 119 -10.886 -2.046 6.837 1.00 0.00 N ATOM 1380 CA ASN A 119 -10.387 -2.045 5.472 1.00 0.00 C ATOM 1381 C ASN A 119 -9.591 -0.750 5.259 1.00 0.00 C ATOM 1382 O ASN A 119 -9.773 -0.064 4.256 1.00 0.00 O ATOM 1383 CB ASN A 119 -11.545 -2.178 4.460 1.00 0.00 C ATOM 1384 CG ASN A 119 -12.545 -3.303 4.669 1.00 0.00 C ATOM 1385 OD1 ASN A 119 -13.747 -3.067 4.614 1.00 0.00 O ATOM 1386 ND2 ASN A 119 -12.104 -4.539 4.817 1.00 0.00 N ATOM 0 H ASN A 119 -11.253 -1.140 7.128 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.735 -2.903 5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -12.096 -1.237 4.456 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.110 -2.297 3.468 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -12.766 -5.312 4.887 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -11.101 -4.721 4.861 1.00 0.00 H new ATOM 1393 N HIS A 120 -8.737 -0.393 6.223 1.00 0.00 N ATOM 1394 CA HIS A 120 -7.910 0.809 6.207 1.00 0.00 C ATOM 1395 C HIS A 120 -6.482 0.380 6.485 1.00 0.00 C ATOM 1396 O HIS A 120 -6.267 -0.436 7.371 1.00 0.00 O ATOM 1397 CB HIS A 120 -8.411 1.785 7.277 1.00 0.00 C ATOM 1398 CG HIS A 120 -7.590 3.040 7.518 1.00 0.00 C ATOM 1399 ND1 HIS A 120 -7.669 3.833 8.641 1.00 0.00 N ATOM 1400 CD2 HIS A 120 -6.606 3.574 6.728 1.00 0.00 C ATOM 1401 CE1 HIS A 120 -6.749 4.804 8.530 1.00 0.00 C ATOM 1402 NE2 HIS A 120 -6.085 4.691 7.377 1.00 0.00 N ATOM 0 H HIS A 120 -8.601 -0.955 7.063 1.00 0.00 H new ATOM 0 HA HIS A 120 -7.962 1.316 5.244 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.422 2.091 7.007 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.483 1.243 8.220 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -8.314 3.705 9.421 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.289 3.194 5.768 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.571 5.570 9.270 1.00 0.00 H new ATOM 1410 N ILE A 121 -5.523 0.910 5.742 1.00 0.00 N ATOM 1411 CA ILE A 121 -4.100 0.654 5.831 1.00 0.00 C ATOM 1412 C ILE A 121 -3.396 1.908 6.357 1.00 0.00 C ATOM 1413 O ILE A 121 -3.535 2.988 5.781 1.00 0.00 O ATOM 1414 CB ILE A 121 -3.580 0.282 4.424 1.00 0.00 C ATOM 1415 CG1 ILE A 121 -4.533 -0.570 3.545 1.00 0.00 C ATOM 1416 CG2 ILE A 121 -2.228 -0.421 4.586 1.00 0.00 C ATOM 1417 CD1 ILE A 121 -4.697 -2.016 4.004 1.00 0.00 C ATOM 0 H ILE A 121 -5.740 1.582 5.005 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.897 -0.169 6.516 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.496 1.220 3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.514 -0.094 3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.161 -0.568 2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.840 -0.694 3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.526 0.250 5.080 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.355 -1.320 5.189 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.380 -2.536 3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.727 -2.514 3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.101 -2.033 5.016 1.00 0.00 H new ATOM 1429 N LEU A 122 -2.552 1.752 7.371 1.00 0.00 N ATOM 1430 CA LEU A 122 -1.479 2.685 7.660 1.00 0.00 C ATOM 1431 C LEU A 122 -0.395 2.327 6.672 1.00 0.00 C ATOM 1432 O LEU A 122 0.432 1.461 6.941 1.00 0.00 O ATOM 1433 CB LEU A 122 -0.876 2.486 9.057 1.00 0.00 C ATOM 1434 CG LEU A 122 -1.658 2.999 10.250 1.00 0.00 C ATOM 1435 CD1 LEU A 122 -1.936 4.511 10.235 1.00 0.00 C ATOM 1436 CD2 LEU A 122 -2.994 2.304 10.371 1.00 0.00 C ATOM 0 H LEU A 122 -2.597 0.966 8.019 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.855 3.707 7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.711 1.418 9.200 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.103 2.964 9.069 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.008 2.780 11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.500 4.786 11.126 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.991 5.055 10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.514 4.766 9.347 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.530 2.694 11.236 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.580 2.483 9.470 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.837 1.233 10.495 1.00 0.00 H new ATOM 1448 N ALA A 123 -0.392 2.939 5.503 1.00 0.00 N ATOM 1449 CA ALA A 123 0.806 2.954 4.699 1.00 0.00 C ATOM 1450 C ALA A 123 2.003 3.492 5.497 1.00 0.00 C ATOM 1451 O ALA A 123 1.876 4.376 6.345 1.00 0.00 O ATOM 1452 CB ALA A 123 0.555 3.826 3.490 1.00 0.00 C ATOM 0 H ALA A 123 -1.193 3.423 5.098 1.00 0.00 H new ATOM 0 HA ALA A 123 1.047 1.936 4.392 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.449 3.851 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.276 3.419 2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.311 4.837 3.815 1.00 0.00 H new ATOM 1458 N LYS A 124 3.179 2.997 5.128 1.00 0.00 N ATOM 1459 CA LYS A 124 4.500 3.297 5.657 1.00 0.00 C ATOM 1460 C LYS A 124 5.434 3.818 4.568 1.00 0.00 C ATOM 1461 O LYS A 124 6.495 4.345 4.901 1.00 0.00 O ATOM 1462 CB LYS A 124 5.017 2.065 6.422 1.00 0.00 C ATOM 1463 CG LYS A 124 5.718 0.988 5.572 1.00 0.00 C ATOM 1464 CD LYS A 124 7.198 1.313 5.361 1.00 0.00 C ATOM 1465 CE LYS A 124 8.014 0.020 5.283 1.00 0.00 C ATOM 1466 NZ LYS A 124 9.321 0.223 4.630 1.00 0.00 N ATOM 0 H LYS A 124 3.234 2.309 4.377 1.00 0.00 H new ATOM 0 HA LYS A 124 4.451 4.118 6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.713 2.404 7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.175 1.602 6.937 1.00 0.00 H new ATOM 0 HG2 LYS A 124 5.624 0.019 6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 124 5.221 0.906 4.605 1.00 0.00 H new ATOM 0 HD2 LYS A 124 7.325 1.888 4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.562 1.934 6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 124 8.169 -0.371 6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.448 -0.732 4.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.952 -0.570 4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.190 0.271 3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 9.743 1.112 4.967 1.00 0.00 H new ATOM 1480 N GLU A 125 5.066 3.712 3.280 1.00 0.00 N ATOM 1481 CA GLU A 125 5.893 4.253 2.203 1.00 0.00 C ATOM 1482 C GLU A 125 5.122 4.797 1.013 1.00 0.00 C ATOM 1483 O GLU A 125 5.457 5.891 0.572 1.00 0.00 O ATOM 1484 CB GLU A 125 6.947 3.222 1.785 1.00 0.00 C ATOM 1485 CG GLU A 125 6.433 1.834 1.345 1.00 0.00 C ATOM 1486 CD GLU A 125 7.443 0.688 1.567 1.00 0.00 C ATOM 1487 OE1 GLU A 125 8.570 0.932 2.063 1.00 0.00 O ATOM 1488 OE2 GLU A 125 7.061 -0.477 1.317 1.00 0.00 O ATOM 0 H GLU A 125 4.207 3.259 2.967 1.00 0.00 H new ATOM 0 HA GLU A 125 6.389 5.133 2.614 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.527 3.644 0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.633 3.080 2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.517 1.608 1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.172 1.874 0.288 1.00 0.00 H new ATOM 1495 N VAL A 126 4.114 4.070 0.515 1.00 0.00 N ATOM 1496 CA VAL A 126 3.369 4.339 -0.718 1.00 0.00 C ATOM 1497 C VAL A 126 4.300 4.363 -1.945 1.00 0.00 C ATOM 1498 O VAL A 126 5.375 4.957 -1.947 1.00 0.00 O ATOM 1499 CB VAL A 126 2.543 5.629 -0.547 1.00 0.00 C ATOM 1500 CG1 VAL A 126 1.760 5.963 -1.822 1.00 0.00 C ATOM 1501 CG2 VAL A 126 1.537 5.520 0.603 1.00 0.00 C ATOM 0 H VAL A 126 3.779 3.232 0.989 1.00 0.00 H new ATOM 0 HA VAL A 126 2.668 3.526 -0.907 1.00 0.00 H new ATOM 0 HB VAL A 126 3.264 6.417 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 126 1.188 6.878 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.455 6.104 -2.649 1.00 0.00 H new ATOM 0 HG13 VAL A 126 1.079 5.144 -2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 126 0.977 6.452 0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 126 0.847 4.699 0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.069 5.332 1.535 1.00 0.00 H new ATOM 1511 N LEU A 127 3.905 3.688 -3.025 1.00 0.00 N ATOM 1512 CA LEU A 127 4.716 3.563 -4.230 1.00 0.00 C ATOM 1513 C LEU A 127 3.806 3.766 -5.428 1.00 0.00 C ATOM 1514 O LEU A 127 2.627 3.435 -5.360 1.00 0.00 O ATOM 1515 CB LEU A 127 5.352 2.162 -4.269 1.00 0.00 C ATOM 1516 CG LEU A 127 6.335 1.855 -3.119 1.00 0.00 C ATOM 1517 CD1 LEU A 127 6.672 0.361 -3.096 1.00 0.00 C ATOM 1518 CD2 LEU A 127 7.614 2.688 -3.236 1.00 0.00 C ATOM 0 H LEU A 127 3.006 3.210 -3.086 1.00 0.00 H new ATOM 0 HA LEU A 127 5.514 4.305 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.555 1.418 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.878 2.045 -5.216 1.00 0.00 H new ATOM 0 HG LEU A 127 5.848 2.125 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.366 0.157 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 127 5.759 -0.216 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 127 7.131 0.077 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.283 2.446 -2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.109 2.464 -4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.362 3.748 -3.200 1.00 0.00 H new ATOM 1530 N ALA A 128 4.325 4.275 -6.539 1.00 0.00 N ATOM 1531 CA ALA A 128 3.517 4.753 -7.662 1.00 0.00 C ATOM 1532 C ALA A 128 3.647 3.839 -8.887 1.00 0.00 C ATOM 1533 O ALA A 128 3.525 4.295 -10.023 1.00 0.00 O ATOM 1534 CB ALA A 128 3.874 6.214 -7.938 1.00 0.00 C ATOM 0 H ALA A 128 5.329 4.370 -6.690 1.00 0.00 H new ATOM 0 HA ALA A 128 2.459 4.713 -7.404 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.278 6.583 -8.773 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.666 6.813 -7.052 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.933 6.289 -8.186 1.00 0.00 H new ATOM 1540 N LYS A 129 3.906 2.541 -8.659 1.00 0.00 N ATOM 1541 CA LYS A 129 4.176 1.538 -9.707 1.00 0.00 C ATOM 1542 C LYS A 129 5.189 2.009 -10.774 1.00 0.00 C ATOM 1543 O LYS A 129 5.171 1.552 -11.915 1.00 0.00 O ATOM 1544 CB LYS A 129 2.843 1.052 -10.306 1.00 0.00 C ATOM 1545 CG LYS A 129 2.107 0.024 -9.430 1.00 0.00 C ATOM 1546 CD LYS A 129 2.806 -1.341 -9.372 1.00 0.00 C ATOM 1547 CE LYS A 129 1.782 -2.476 -9.328 1.00 0.00 C ATOM 1548 NZ LYS A 129 2.418 -3.802 -9.254 1.00 0.00 N ATOM 0 H LYS A 129 3.935 2.148 -7.718 1.00 0.00 H new ATOM 0 HA LYS A 129 4.674 0.689 -9.238 1.00 0.00 H new ATOM 0 HB2 LYS A 129 2.192 1.912 -10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.034 0.611 -11.284 1.00 0.00 H new ATOM 0 HG2 LYS A 129 2.015 0.420 -8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.095 -0.110 -9.813 1.00 0.00 H new ATOM 0 HD2 LYS A 129 3.451 -1.461 -10.242 1.00 0.00 H new ATOM 0 HD3 LYS A 129 3.447 -1.389 -8.491 1.00 0.00 H new ATOM 0 HE2 LYS A 129 1.130 -2.340 -8.465 1.00 0.00 H new ATOM 0 HE3 LYS A 129 1.151 -2.427 -10.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 1.684 -4.538 -9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 3.021 -3.945 -10.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 3.000 -3.861 -8.394 1.00 0.00 H new