USER MOD reduce.3.24.130724 H: found=0, std=0, add=986, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 813 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 115 CYS SG : rot -127:sc= 0.736 USER MOD Set 1.2: A 117 CYS SG : rot -156:sc= -0.182 USER MOD Set 1.3: A 136 CYS SG : rot 156:sc= 2.03 USER MOD Set 1.4: A 138 THR OG1 : rot 72:sc= 0.677 USER MOD Set 1.5: A 139 CYS SG : rot -41:sc= 1.17 USER MOD Set 2.1: A 105 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.8) USER MOD Set 2.2: A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0948 K(o=-0.095,f=-1.2!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0457 X(o=-0.046,f=-0.34) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 111:sc= 1.98 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.176 K(o=-0.18,f=-1.5) USER MOD Single : A 42 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.173) USER MOD Single : A 43 GLN : amide:sc= -0.187 K(o=-0.19,f=-4.3!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0363 USER MOD Single : A 51 THR OG1 : rot -160:sc= -0.265 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.545 K(o=0.54,f=-4.6!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.0258 X(o=-0.026,f=-0.026) USER MOD Single : A 83 CYS SG : rot 77:sc= 0.881 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -107:sc=-0.000548 (180deg=-0.329) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc=-0.00702 X(o=-0.007,f=0) USER MOD Single : A 110 SER OG : rot 43:sc= 0.0216 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 9:sc= -0.112 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0373) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0.043 USER MOD Single : A 140 SER OG : rot 140:sc= 0.528 USER MOD Single : A 147 HIS : no HD1:sc= -0.0987 X(o=-0.099,f=0) USER MOD ----------------------------------------------------------------- ATOM 129 N LYS A 10 -9.628 10.902 -28.527 1.00 25.00 N ATOM 130 CA LYS A 10 -9.162 10.968 -27.147 1.00 3.03 C ATOM 131 C LYS A 10 -9.047 12.416 -26.681 1.00 21.41 C ATOM 132 O LYS A 10 -9.472 13.338 -27.377 1.00 24.23 O ATOM 133 CB LYS A 10 -7.808 10.267 -27.012 1.00 75.45 C ATOM 134 CG LYS A 10 -7.829 9.084 -26.059 1.00 24.41 C ATOM 135 CD LYS A 10 -6.618 9.085 -25.142 1.00 33.40 C ATOM 136 CE LYS A 10 -6.987 9.519 -23.731 1.00 73.44 C ATOM 137 NZ LYS A 10 -5.878 10.258 -23.069 1.00 51.32 N ATOM 0 HA LYS A 10 -9.892 10.460 -26.517 1.00 3.03 H new ATOM 0 HB2 LYS A 10 -7.485 9.925 -27.995 1.00 75.45 H new ATOM 0 HB3 LYS A 10 -7.067 10.988 -26.667 1.00 75.45 H new ATOM 0 HG2 LYS A 10 -8.740 9.114 -25.461 1.00 24.41 H new ATOM 0 HG3 LYS A 10 -7.853 8.156 -26.630 1.00 24.41 H new ATOM 0 HD2 LYS A 10 -6.181 8.087 -25.114 1.00 33.40 H new ATOM 0 HD3 LYS A 10 -5.857 9.755 -25.543 1.00 33.40 H new ATOM 0 HE2 LYS A 10 -7.874 10.151 -23.766 1.00 73.44 H new ATOM 0 HE3 LYS A 10 -7.244 8.642 -23.137 1.00 73.44 H new ATOM 0 HZ1 LYS A 10 -6.170 10.536 -22.110 1.00 51.32 H new ATOM 0 HZ2 LYS A 10 -5.039 9.646 -23.012 1.00 51.32 H new ATOM 0 HZ3 LYS A 10 -5.649 11.109 -23.621 1.00 51.32 H new ATOM 147 N ASP A 11 -8.467 12.607 -25.501 1.00 75.34 N ATOM 148 CA ASP A 11 -8.294 13.943 -24.942 1.00 1.33 C ATOM 149 C ASP A 11 -7.357 14.777 -25.811 1.00 34.02 C ATOM 150 O ASP A 11 -7.644 15.934 -26.116 1.00 31.14 O ATOM 151 CB ASP A 11 -7.747 13.857 -23.517 1.00 21.45 C ATOM 152 CG ASP A 11 -8.806 14.146 -22.471 1.00 4.42 C ATOM 153 OD1 ASP A 11 -9.496 13.196 -22.047 1.00 0.14 O ATOM 154 OD2 ASP A 11 -8.945 15.323 -22.078 1.00 45.34 O ATOM 0 H ASP A 11 -8.109 11.854 -24.913 1.00 75.34 H new ATOM 0 HA ASP A 11 -9.269 14.430 -24.918 1.00 1.33 H new ATOM 0 HB2 ASP A 11 -7.336 12.862 -23.348 1.00 21.45 H new ATOM 0 HB3 ASP A 11 -6.926 14.564 -23.403 1.00 21.45 H new ATOM 158 N TRP A 12 -6.236 14.181 -26.202 1.00 11.41 N ATOM 159 CA TRP A 12 -5.256 14.870 -27.034 1.00 12.40 C ATOM 160 C TRP A 12 -5.893 15.369 -28.327 1.00 21.22 C ATOM 161 O TRP A 12 -5.397 16.306 -28.953 1.00 10.12 O ATOM 162 CB TRP A 12 -4.085 13.940 -27.354 1.00 2.21 C ATOM 163 CG TRP A 12 -3.984 13.590 -28.808 1.00 62.11 C ATOM 164 CD1 TRP A 12 -3.035 14.021 -29.691 1.00 25.21 C ATOM 165 CD2 TRP A 12 -4.866 12.739 -29.547 1.00 25.15 C ATOM 166 NE1 TRP A 12 -3.274 13.488 -30.934 1.00 3.12 N ATOM 167 CE2 TRP A 12 -4.390 12.697 -30.873 1.00 75.12 C ATOM 168 CE3 TRP A 12 -6.009 12.005 -29.218 1.00 4.33 C ATOM 169 CZ2 TRP A 12 -5.021 11.953 -31.867 1.00 31.02 C ATOM 170 CZ3 TRP A 12 -6.633 11.267 -30.206 1.00 54.11 C ATOM 171 CH2 TRP A 12 -6.138 11.245 -31.517 1.00 71.32 C ATOM 0 H TRP A 12 -5.983 13.224 -25.957 1.00 11.41 H new ATOM 0 HA TRP A 12 -4.886 15.731 -26.478 1.00 12.40 H new ATOM 0 HB2 TRP A 12 -3.156 14.414 -27.037 1.00 2.21 H new ATOM 0 HB3 TRP A 12 -4.189 13.023 -26.773 1.00 2.21 H new ATOM 0 HD1 TRP A 12 -2.217 14.683 -29.448 1.00 25.21 H new ATOM 0 HE1 TRP A 12 -2.711 13.655 -31.768 1.00 3.12 H new ATOM 0 HE3 TRP A 12 -6.397 12.014 -28.210 1.00 4.33 H new ATOM 0 HZ2 TRP A 12 -4.642 11.936 -32.878 1.00 31.02 H new ATOM 0 HZ3 TRP A 12 -7.518 10.697 -29.963 1.00 54.11 H new ATOM 0 HH2 TRP A 12 -6.648 10.657 -32.266 1.00 71.32 H new ATOM 181 N TYR A 13 -6.993 14.737 -28.720 1.00 12.31 N ATOM 182 CA TYR A 13 -7.696 15.116 -29.940 1.00 41.44 C ATOM 183 C TYR A 13 -8.531 16.374 -29.720 1.00 43.34 C ATOM 184 O TYR A 13 -8.875 17.078 -30.668 1.00 44.35 O ATOM 185 CB TYR A 13 -8.595 13.971 -30.413 1.00 11.12 C ATOM 186 CG TYR A 13 -9.960 14.425 -30.879 1.00 34.43 C ATOM 187 CD1 TYR A 13 -10.143 14.941 -32.156 1.00 75.43 C ATOM 188 CD2 TYR A 13 -11.065 14.339 -30.041 1.00 45.00 C ATOM 189 CE1 TYR A 13 -11.389 15.358 -32.584 1.00 42.33 C ATOM 190 CE2 TYR A 13 -12.314 14.752 -30.462 1.00 65.01 C ATOM 191 CZ TYR A 13 -12.471 15.260 -31.735 1.00 31.34 C ATOM 192 OH TYR A 13 -13.713 15.674 -32.158 1.00 42.12 O ATOM 0 H TYR A 13 -7.417 13.961 -28.212 1.00 12.31 H new ATOM 0 HA TYR A 13 -6.951 15.326 -30.707 1.00 41.44 H new ATOM 0 HB2 TYR A 13 -8.099 13.444 -31.228 1.00 11.12 H new ATOM 0 HB3 TYR A 13 -8.717 13.256 -29.599 1.00 11.12 H new ATOM 0 HD1 TYR A 13 -9.298 15.017 -32.825 1.00 75.43 H new ATOM 0 HD2 TYR A 13 -10.945 13.943 -29.044 1.00 45.00 H new ATOM 0 HE1 TYR A 13 -11.515 15.759 -33.579 1.00 42.33 H new ATOM 0 HE2 TYR A 13 -13.163 14.678 -29.798 1.00 65.01 H new ATOM 0 HH TYR A 13 -14.366 15.536 -31.440 1.00 42.12 H new ATOM 201 N SER A 14 -8.852 16.651 -28.460 1.00 30.24 N ATOM 202 CA SER A 14 -9.648 17.822 -28.113 1.00 71.34 C ATOM 203 C SER A 14 -8.778 19.074 -28.060 1.00 45.43 C ATOM 204 O SER A 14 -9.249 20.181 -28.326 1.00 44.41 O ATOM 205 CB SER A 14 -10.342 17.612 -26.766 1.00 35.22 C ATOM 206 OG SER A 14 -11.018 16.366 -26.728 1.00 12.23 O ATOM 0 H SER A 14 -8.573 16.080 -27.662 1.00 30.24 H new ATOM 0 HA SER A 14 -10.404 17.959 -28.886 1.00 71.34 H new ATOM 0 HB2 SER A 14 -9.605 17.654 -25.964 1.00 35.22 H new ATOM 0 HB3 SER A 14 -11.052 18.420 -26.590 1.00 35.22 H new ATOM 0 HG SER A 14 -11.452 16.256 -25.856 1.00 12.23 H new ATOM 211 N ILE A 15 -7.509 18.891 -27.714 1.00 4.44 N ATOM 212 CA ILE A 15 -6.573 20.005 -27.628 1.00 73.02 C ATOM 213 C ILE A 15 -6.183 20.504 -29.015 1.00 40.21 C ATOM 214 O ILE A 15 -5.935 21.695 -29.212 1.00 31.13 O ATOM 215 CB ILE A 15 -5.298 19.610 -26.859 1.00 2.50 C ATOM 216 CG1 ILE A 15 -5.139 20.482 -25.612 1.00 13.44 C ATOM 217 CG2 ILE A 15 -4.078 19.735 -27.759 1.00 25.14 C ATOM 218 CD1 ILE A 15 -3.822 20.276 -24.896 1.00 42.43 C ATOM 0 H ILE A 15 -7.105 17.982 -27.489 1.00 4.44 H new ATOM 0 HA ILE A 15 -7.081 20.804 -27.087 1.00 73.02 H new ATOM 0 HB ILE A 15 -5.388 18.571 -26.543 1.00 2.50 H new ATOM 0 HG12 ILE A 15 -5.228 21.530 -25.897 1.00 13.44 H new ATOM 0 HG13 ILE A 15 -5.956 20.269 -24.922 1.00 13.44 H new ATOM 0 HG21 ILE A 15 -3.185 19.453 -27.202 1.00 25.14 H new ATOM 0 HG22 ILE A 15 -4.192 19.076 -28.620 1.00 25.14 H new ATOM 0 HG23 ILE A 15 -3.982 20.766 -28.101 1.00 25.14 H new ATOM 0 HD11 ILE A 15 -3.777 20.926 -24.022 1.00 42.43 H new ATOM 0 HD12 ILE A 15 -3.739 19.236 -24.580 1.00 42.43 H new ATOM 0 HD13 ILE A 15 -3.000 20.517 -25.570 1.00 42.43 H new ATOM 229 N LEU A 16 -6.133 19.588 -29.976 1.00 32.23 N ATOM 230 CA LEU A 16 -5.774 19.934 -31.347 1.00 74.12 C ATOM 231 C LEU A 16 -7.017 20.034 -32.225 1.00 62.34 C ATOM 232 O LEU A 16 -6.986 20.641 -33.295 1.00 54.25 O ATOM 233 CB LEU A 16 -4.811 18.895 -31.921 1.00 65.01 C ATOM 234 CG LEU A 16 -3.442 19.419 -32.360 1.00 64.34 C ATOM 235 CD1 LEU A 16 -3.599 20.649 -33.239 1.00 3.33 C ATOM 236 CD2 LEU A 16 -2.578 19.732 -31.147 1.00 43.41 C ATOM 0 H LEU A 16 -6.337 18.599 -29.831 1.00 32.23 H new ATOM 0 HA LEU A 16 -5.282 20.906 -31.334 1.00 74.12 H new ATOM 0 HB2 LEU A 16 -4.657 18.118 -31.172 1.00 65.01 H new ATOM 0 HB3 LEU A 16 -5.288 18.421 -32.779 1.00 65.01 H new ATOM 0 HG LEU A 16 -2.946 18.643 -32.943 1.00 64.34 H new ATOM 0 HD11 LEU A 16 -2.615 21.008 -33.542 1.00 3.33 H new ATOM 0 HD12 LEU A 16 -4.180 20.391 -34.125 1.00 3.33 H new ATOM 0 HD13 LEU A 16 -4.115 21.431 -32.682 1.00 3.33 H new ATOM 0 HD21 LEU A 16 -1.608 20.103 -31.477 1.00 43.41 H new ATOM 0 HD22 LEU A 16 -3.068 20.490 -30.537 1.00 43.41 H new ATOM 0 HD23 LEU A 16 -2.438 18.826 -30.557 1.00 43.41 H new ATOM 247 N GLY A 17 -8.111 19.433 -31.765 1.00 13.12 N ATOM 248 CA GLY A 17 -9.349 19.468 -32.520 1.00 24.41 C ATOM 249 C GLY A 17 -9.177 18.966 -33.940 1.00 25.35 C ATOM 250 O GLY A 17 -9.536 19.652 -34.897 1.00 33.02 O ATOM 0 H GLY A 17 -8.161 18.923 -30.883 1.00 13.12 H new ATOM 0 HA2 GLY A 17 -10.098 18.861 -32.012 1.00 24.41 H new ATOM 0 HA3 GLY A 17 -9.728 20.490 -32.543 1.00 24.41 H new ATOM 254 N ALA A 18 -8.624 17.765 -34.079 1.00 31.23 N ATOM 255 CA ALA A 18 -8.404 17.172 -35.392 1.00 23.03 C ATOM 256 C ALA A 18 -9.538 16.223 -35.762 1.00 54.23 C ATOM 257 O ALA A 18 -9.818 15.263 -35.044 1.00 15.00 O ATOM 258 CB ALA A 18 -7.070 16.441 -35.424 1.00 64.34 C ATOM 0 H ALA A 18 -8.320 17.184 -33.298 1.00 31.23 H new ATOM 0 HA ALA A 18 -8.383 17.976 -36.128 1.00 23.03 H new ATOM 0 HB1 ALA A 18 -6.919 16.003 -36.411 1.00 64.34 H new ATOM 0 HB2 ALA A 18 -6.265 17.144 -35.212 1.00 64.34 H new ATOM 0 HB3 ALA A 18 -7.070 15.651 -34.673 1.00 64.34 H new ATOM 264 N ASP A 19 -10.190 16.499 -36.887 1.00 64.43 N ATOM 265 CA ASP A 19 -11.295 15.669 -37.353 1.00 60.22 C ATOM 266 C ASP A 19 -10.865 14.210 -37.476 1.00 71.22 C ATOM 267 O ASP A 19 -9.678 13.889 -37.523 1.00 14.13 O ATOM 268 CB ASP A 19 -11.810 16.177 -38.701 1.00 54.22 C ATOM 269 CG ASP A 19 -13.072 17.005 -38.563 1.00 53.13 C ATOM 270 OD1 ASP A 19 -13.103 17.900 -37.693 1.00 53.54 O ATOM 271 OD2 ASP A 19 -14.031 16.757 -39.325 1.00 33.30 O ATOM 0 H ASP A 19 -9.972 17.291 -37.492 1.00 64.43 H new ATOM 0 HA ASP A 19 -12.098 15.732 -36.619 1.00 60.22 H new ATOM 0 HB2 ASP A 19 -11.036 16.777 -39.180 1.00 54.22 H new ATOM 0 HB3 ASP A 19 -12.006 15.328 -39.355 1.00 54.22 H new ATOM 275 N PRO A 20 -11.853 13.304 -37.529 1.00 52.03 N ATOM 276 CA PRO A 20 -11.601 11.865 -37.646 1.00 42.32 C ATOM 277 C PRO A 20 -11.046 11.484 -39.015 1.00 21.31 C ATOM 278 O PRO A 20 -10.621 10.348 -39.228 1.00 34.12 O ATOM 279 CB PRO A 20 -12.986 11.244 -37.439 1.00 14.41 C ATOM 280 CG PRO A 20 -13.943 12.312 -37.846 1.00 62.22 C ATOM 281 CD PRO A 20 -13.291 13.615 -37.478 1.00 71.12 C ATOM 0 HA PRO A 20 -10.854 11.522 -36.930 1.00 42.32 H new ATOM 0 HB2 PRO A 20 -13.112 10.347 -38.045 1.00 14.41 H new ATOM 0 HB3 PRO A 20 -13.138 10.951 -36.400 1.00 14.41 H new ATOM 0 HG2 PRO A 20 -14.147 12.266 -38.916 1.00 62.22 H new ATOM 0 HG3 PRO A 20 -14.898 12.196 -37.334 1.00 62.22 H new ATOM 0 HD2 PRO A 20 -13.555 14.408 -38.177 1.00 71.12 H new ATOM 0 HD3 PRO A 20 -13.595 13.950 -36.486 1.00 71.12 H new ATOM 286 N SER A 21 -11.053 12.439 -39.938 1.00 51.11 N ATOM 287 CA SER A 21 -10.552 12.202 -41.287 1.00 41.21 C ATOM 288 C SER A 21 -9.341 13.083 -41.580 1.00 23.51 C ATOM 289 O SER A 21 -8.852 13.129 -42.709 1.00 32.03 O ATOM 290 CB SER A 21 -11.652 12.470 -42.317 1.00 31.21 C ATOM 291 OG SER A 21 -11.970 13.849 -42.376 1.00 51.22 O ATOM 0 H SER A 21 -11.400 13.385 -39.777 1.00 51.11 H new ATOM 0 HA SER A 21 -10.246 11.158 -41.355 1.00 41.21 H new ATOM 0 HB2 SER A 21 -11.327 12.126 -43.299 1.00 31.21 H new ATOM 0 HB3 SER A 21 -12.544 11.899 -42.059 1.00 31.21 H new ATOM 0 HG SER A 21 -12.674 13.994 -43.042 1.00 51.22 H new ATOM 296 N ALA A 22 -8.863 13.780 -40.555 1.00 75.03 N ATOM 297 CA ALA A 22 -7.708 14.657 -40.700 1.00 52.52 C ATOM 298 C ALA A 22 -6.413 13.855 -40.762 1.00 51.23 C ATOM 299 O ALA A 22 -6.396 12.664 -40.458 1.00 20.44 O ATOM 300 CB ALA A 22 -7.658 15.658 -39.555 1.00 24.24 C ATOM 0 H ALA A 22 -9.258 13.754 -39.615 1.00 75.03 H new ATOM 0 HA ALA A 22 -7.812 15.201 -41.639 1.00 52.52 H new ATOM 0 HB1 ALA A 22 -6.790 16.306 -39.676 1.00 24.24 H new ATOM 0 HB2 ALA A 22 -8.566 16.262 -39.560 1.00 24.24 H new ATOM 0 HB3 ALA A 22 -7.582 15.124 -38.608 1.00 24.24 H new ATOM 306 N ASN A 23 -5.331 14.517 -41.160 1.00 22.44 N ATOM 307 CA ASN A 23 -4.031 13.864 -41.263 1.00 41.20 C ATOM 308 C ASN A 23 -2.973 14.632 -40.477 1.00 5.32 C ATOM 309 O ASN A 23 -3.152 15.809 -40.163 1.00 0.44 O ATOM 310 CB ASN A 23 -3.610 13.748 -42.729 1.00 14.21 C ATOM 311 CG ASN A 23 -4.223 12.542 -43.414 1.00 61.41 C ATOM 312 OD1 ASN A 23 -4.403 11.491 -42.799 1.00 74.42 O ATOM 313 ND2 ASN A 23 -4.547 12.689 -44.694 1.00 32.55 N ATOM 0 H ASN A 23 -5.329 15.504 -41.416 1.00 22.44 H new ATOM 0 HA ASN A 23 -4.119 12.864 -40.838 1.00 41.20 H new ATOM 0 HB2 ASN A 23 -3.904 14.653 -43.261 1.00 14.21 H new ATOM 0 HB3 ASN A 23 -2.524 13.682 -42.788 1.00 14.21 H new ATOM 0 HD21 ASN A 23 -4.963 11.912 -45.207 1.00 32.55 H new ATOM 0 HD22 ASN A 23 -4.380 13.579 -45.163 1.00 32.55 H new ATOM 319 N ILE A 24 -1.871 13.959 -40.164 1.00 63.30 N ATOM 320 CA ILE A 24 -0.784 14.578 -39.417 1.00 12.14 C ATOM 321 C ILE A 24 -0.333 15.877 -40.077 1.00 24.02 C ATOM 322 O ILE A 24 -0.046 16.863 -39.399 1.00 34.23 O ATOM 323 CB ILE A 24 0.425 13.631 -39.293 1.00 13.45 C ATOM 324 CG1 ILE A 24 1.578 14.333 -38.572 1.00 31.00 C ATOM 325 CG2 ILE A 24 0.867 13.154 -40.669 1.00 51.14 C ATOM 326 CD1 ILE A 24 1.210 14.838 -37.194 1.00 1.00 C ATOM 0 H ILE A 24 -1.708 12.984 -40.416 1.00 63.30 H new ATOM 0 HA ILE A 24 -1.169 14.794 -38.421 1.00 12.14 H new ATOM 0 HB ILE A 24 0.129 12.762 -38.706 1.00 13.45 H new ATOM 0 HG12 ILE A 24 2.416 13.642 -38.485 1.00 31.00 H new ATOM 0 HG13 ILE A 24 1.918 15.172 -39.179 1.00 31.00 H new ATOM 0 HG21 ILE A 24 1.722 12.486 -40.565 1.00 51.14 H new ATOM 0 HG22 ILE A 24 0.047 12.622 -41.150 1.00 51.14 H new ATOM 0 HG23 ILE A 24 1.149 14.013 -41.278 1.00 51.14 H new ATOM 0 HD11 ILE A 24 2.074 15.324 -36.742 1.00 1.00 H new ATOM 0 HD12 ILE A 24 0.392 15.554 -37.275 1.00 1.00 H new ATOM 0 HD13 ILE A 24 0.898 14.000 -36.571 1.00 1.00 H new ATOM 337 N SER A 25 -0.276 15.869 -41.405 1.00 14.54 N ATOM 338 CA SER A 25 0.142 17.047 -42.158 1.00 22.31 C ATOM 339 C SER A 25 -0.781 18.228 -41.875 1.00 20.10 C ATOM 340 O SER A 25 -0.364 19.229 -41.293 1.00 15.43 O ATOM 341 CB SER A 25 0.154 16.742 -43.658 1.00 73.32 C ATOM 342 OG SER A 25 1.479 16.672 -44.153 1.00 44.43 O ATOM 0 H SER A 25 -0.513 15.062 -41.981 1.00 14.54 H new ATOM 0 HA SER A 25 1.150 17.312 -41.840 1.00 22.31 H new ATOM 0 HB2 SER A 25 -0.358 15.798 -43.844 1.00 73.32 H new ATOM 0 HB3 SER A 25 -0.397 17.515 -44.194 1.00 73.32 H new ATOM 0 HG SER A 25 1.460 16.474 -45.113 1.00 44.43 H new ATOM 347 N ASP A 26 -2.036 18.103 -42.291 1.00 73.00 N ATOM 348 CA ASP A 26 -3.019 19.159 -42.083 1.00 74.44 C ATOM 349 C ASP A 26 -3.094 19.549 -40.609 1.00 33.23 C ATOM 350 O ASP A 26 -3.451 20.679 -40.272 1.00 34.35 O ATOM 351 CB ASP A 26 -4.396 18.708 -42.573 1.00 43.44 C ATOM 352 CG ASP A 26 -4.537 18.812 -44.079 1.00 13.35 C ATOM 353 OD1 ASP A 26 -3.978 19.766 -44.662 1.00 43.53 O ATOM 354 OD2 ASP A 26 -5.203 17.940 -44.674 1.00 41.45 O ATOM 0 H ASP A 26 -2.397 17.280 -42.774 1.00 73.00 H new ATOM 0 HA ASP A 26 -2.705 20.031 -42.657 1.00 74.44 H new ATOM 0 HB2 ASP A 26 -4.568 17.677 -42.265 1.00 43.44 H new ATOM 0 HB3 ASP A 26 -5.165 19.316 -42.096 1.00 43.44 H new ATOM 358 N LEU A 27 -2.757 18.607 -39.736 1.00 31.21 N ATOM 359 CA LEU A 27 -2.786 18.851 -38.298 1.00 73.53 C ATOM 360 C LEU A 27 -1.564 19.650 -37.856 1.00 72.41 C ATOM 361 O LEU A 27 -1.626 20.421 -36.897 1.00 5.31 O ATOM 362 CB LEU A 27 -2.845 17.525 -37.537 1.00 32.45 C ATOM 363 CG LEU A 27 -4.229 17.086 -37.059 1.00 64.15 C ATOM 364 CD1 LEU A 27 -5.253 17.244 -38.172 1.00 11.11 C ATOM 365 CD2 LEU A 27 -4.193 15.646 -36.567 1.00 12.43 C ATOM 0 H LEU A 27 -2.460 17.667 -39.998 1.00 31.21 H new ATOM 0 HA LEU A 27 -3.679 19.433 -38.071 1.00 73.53 H new ATOM 0 HB2 LEU A 27 -2.439 16.743 -38.179 1.00 32.45 H new ATOM 0 HB3 LEU A 27 -2.189 17.598 -36.669 1.00 32.45 H new ATOM 0 HG LEU A 27 -4.524 17.726 -36.227 1.00 64.15 H new ATOM 0 HD11 LEU A 27 -6.232 16.927 -37.813 1.00 11.11 H new ATOM 0 HD12 LEU A 27 -5.300 18.289 -38.478 1.00 11.11 H new ATOM 0 HD13 LEU A 27 -4.962 16.630 -39.024 1.00 11.11 H new ATOM 0 HD21 LEU A 27 -5.187 15.351 -36.231 1.00 12.43 H new ATOM 0 HD22 LEU A 27 -3.876 14.992 -37.379 1.00 12.43 H new ATOM 0 HD23 LEU A 27 -3.490 15.562 -35.738 1.00 12.43 H new ATOM 376 N LYS A 28 -0.454 19.463 -38.562 1.00 63.21 N ATOM 377 CA LYS A 28 0.782 20.169 -38.247 1.00 71.43 C ATOM 378 C LYS A 28 0.580 21.678 -38.319 1.00 13.34 C ATOM 379 O LYS A 28 0.803 22.391 -37.340 1.00 2.22 O ATOM 380 CB LYS A 28 1.894 19.745 -39.207 1.00 5.44 C ATOM 381 CG LYS A 28 3.205 19.415 -38.514 1.00 40.10 C ATOM 382 CD LYS A 28 4.379 19.487 -39.476 1.00 23.11 C ATOM 383 CE LYS A 28 4.416 18.280 -40.401 1.00 33.22 C ATOM 384 NZ LYS A 28 5.811 17.861 -40.710 1.00 63.31 N ATOM 0 H LYS A 28 -0.385 18.828 -39.357 1.00 63.21 H new ATOM 0 HA LYS A 28 1.071 19.908 -37.229 1.00 71.43 H new ATOM 0 HB2 LYS A 28 1.562 18.874 -39.772 1.00 5.44 H new ATOM 0 HB3 LYS A 28 2.065 20.545 -39.927 1.00 5.44 H new ATOM 0 HG2 LYS A 28 3.366 20.109 -37.689 1.00 40.10 H new ATOM 0 HG3 LYS A 28 3.148 18.416 -38.083 1.00 40.10 H new ATOM 0 HD2 LYS A 28 4.310 20.399 -40.069 1.00 23.11 H new ATOM 0 HD3 LYS A 28 5.310 19.543 -38.912 1.00 23.11 H new ATOM 0 HE2 LYS A 28 3.882 17.451 -39.937 1.00 33.22 H new ATOM 0 HE3 LYS A 28 3.894 18.517 -41.328 1.00 33.22 H new ATOM 0 HZ1 LYS A 28 5.794 17.036 -41.343 1.00 63.31 H new ATOM 0 HZ2 LYS A 28 6.314 18.644 -41.175 1.00 63.31 H new ATOM 0 HZ3 LYS A 28 6.302 17.610 -39.828 1.00 63.31 H new ATOM 394 N GLN A 29 0.155 22.159 -39.483 1.00 14.32 N ATOM 395 CA GLN A 29 -0.076 23.585 -39.681 1.00 63.04 C ATOM 396 C GLN A 29 -1.227 24.075 -38.808 1.00 14.44 C ATOM 397 O GLN A 29 -1.145 25.142 -38.197 1.00 61.40 O ATOM 398 CB GLN A 29 -0.379 23.874 -41.153 1.00 32.53 C ATOM 399 CG GLN A 29 -1.553 23.079 -41.701 1.00 55.13 C ATOM 400 CD GLN A 29 -1.447 22.835 -43.193 1.00 31.31 C ATOM 401 OE1 GLN A 29 -0.395 22.439 -43.695 1.00 35.04 O ATOM 402 NE2 GLN A 29 -2.539 23.068 -43.911 1.00 74.32 N ATOM 0 H GLN A 29 -0.036 21.583 -40.303 1.00 14.32 H new ATOM 0 HA GLN A 29 0.829 24.119 -39.392 1.00 63.04 H new ATOM 0 HB2 GLN A 29 -0.585 24.938 -41.271 1.00 32.53 H new ATOM 0 HB3 GLN A 29 0.507 23.653 -41.748 1.00 32.53 H new ATOM 0 HG2 GLN A 29 -1.612 22.122 -41.183 1.00 55.13 H new ATOM 0 HG3 GLN A 29 -2.479 23.613 -41.489 1.00 55.13 H new ATOM 0 HE21 GLN A 29 -3.390 23.396 -43.454 1.00 74.32 H new ATOM 0 HE22 GLN A 29 -2.527 22.919 -44.920 1.00 74.32 H new ATOM 409 N LYS A 30 -2.298 23.293 -38.754 1.00 60.44 N ATOM 410 CA LYS A 30 -3.465 23.646 -37.955 1.00 41.04 C ATOM 411 C LYS A 30 -3.112 23.704 -36.472 1.00 43.40 C ATOM 412 O LYS A 30 -3.794 24.364 -35.688 1.00 52.23 O ATOM 413 CB LYS A 30 -4.590 22.634 -38.183 1.00 64.42 C ATOM 414 CG LYS A 30 -5.335 22.835 -39.491 1.00 22.44 C ATOM 415 CD LYS A 30 -6.317 21.706 -39.753 1.00 21.33 C ATOM 416 CE LYS A 30 -7.756 22.194 -39.689 1.00 63.21 C ATOM 417 NZ LYS A 30 -8.728 21.074 -39.838 1.00 54.04 N ATOM 0 H LYS A 30 -2.383 22.409 -39.255 1.00 60.44 H new ATOM 0 HA LYS A 30 -3.804 24.633 -38.269 1.00 41.04 H new ATOM 0 HB2 LYS A 30 -4.171 21.628 -38.164 1.00 64.42 H new ATOM 0 HB3 LYS A 30 -5.299 22.700 -37.357 1.00 64.42 H new ATOM 0 HG2 LYS A 30 -5.870 23.784 -39.464 1.00 22.44 H new ATOM 0 HG3 LYS A 30 -4.621 22.895 -40.312 1.00 22.44 H new ATOM 0 HD2 LYS A 30 -6.122 21.273 -40.734 1.00 21.33 H new ATOM 0 HD3 LYS A 30 -6.167 20.914 -39.019 1.00 21.33 H new ATOM 0 HE2 LYS A 30 -7.926 22.699 -38.738 1.00 63.21 H new ATOM 0 HE3 LYS A 30 -7.926 22.929 -40.475 1.00 63.21 H new ATOM 0 HZ1 LYS A 30 -9.698 21.447 -39.789 1.00 54.04 H new ATOM 0 HZ2 LYS A 30 -8.582 20.608 -40.756 1.00 54.04 H new ATOM 0 HZ3 LYS A 30 -8.583 20.385 -39.073 1.00 54.04 H new ATOM 427 N TYR A 31 -2.043 23.012 -36.095 1.00 41.43 N ATOM 428 CA TYR A 31 -1.600 22.985 -34.707 1.00 74.21 C ATOM 429 C TYR A 31 -0.979 24.321 -34.307 1.00 61.41 C ATOM 430 O TYR A 31 -1.240 24.838 -33.222 1.00 75.32 O ATOM 431 CB TYR A 31 -0.591 21.856 -34.493 1.00 50.21 C ATOM 432 CG TYR A 31 0.596 22.256 -33.647 1.00 12.20 C ATOM 433 CD1 TYR A 31 0.551 22.160 -32.261 1.00 1.45 C ATOM 434 CD2 TYR A 31 1.763 22.731 -34.233 1.00 41.31 C ATOM 435 CE1 TYR A 31 1.633 22.525 -31.485 1.00 13.52 C ATOM 436 CE2 TYR A 31 2.851 23.098 -33.464 1.00 44.24 C ATOM 437 CZ TYR A 31 2.781 22.995 -32.091 1.00 23.33 C ATOM 438 OH TYR A 31 3.861 23.358 -31.320 1.00 11.04 O ATOM 0 H TYR A 31 -1.467 22.462 -36.732 1.00 41.43 H new ATOM 0 HA TYR A 31 -2.472 22.807 -34.078 1.00 74.21 H new ATOM 0 HB2 TYR A 31 -1.096 21.014 -34.020 1.00 50.21 H new ATOM 0 HB3 TYR A 31 -0.235 21.510 -35.463 1.00 50.21 H new ATOM 0 HD1 TYR A 31 -0.346 21.794 -31.783 1.00 1.45 H new ATOM 0 HD2 TYR A 31 1.821 22.815 -35.308 1.00 41.31 H new ATOM 0 HE1 TYR A 31 1.582 22.443 -30.409 1.00 13.52 H new ATOM 0 HE2 TYR A 31 3.751 23.463 -33.936 1.00 44.24 H new ATOM 0 HH TYR A 31 4.589 22.716 -31.454 1.00 11.04 H new ATOM 447 N GLN A 32 -0.156 24.871 -35.193 1.00 12.35 N ATOM 448 CA GLN A 32 0.504 26.145 -34.934 1.00 73.34 C ATOM 449 C GLN A 32 -0.521 27.253 -34.716 1.00 55.21 C ATOM 450 O GLN A 32 -0.332 28.131 -33.873 1.00 40.55 O ATOM 451 CB GLN A 32 1.429 26.510 -36.095 1.00 14.55 C ATOM 452 CG GLN A 32 2.890 26.636 -35.694 1.00 73.53 C ATOM 453 CD GLN A 32 3.833 26.504 -36.873 1.00 74.14 C ATOM 454 OE1 GLN A 32 3.672 27.179 -37.890 1.00 63.44 O ATOM 455 NE2 GLN A 32 4.826 25.632 -36.743 1.00 21.12 N ATOM 0 H GLN A 32 0.070 24.455 -36.096 1.00 12.35 H new ATOM 0 HA GLN A 32 1.098 26.040 -34.026 1.00 73.34 H new ATOM 0 HB2 GLN A 32 1.339 25.752 -36.873 1.00 14.55 H new ATOM 0 HB3 GLN A 32 1.098 27.453 -36.530 1.00 14.55 H new ATOM 0 HG2 GLN A 32 3.049 27.601 -35.213 1.00 73.53 H new ATOM 0 HG3 GLN A 32 3.128 25.870 -34.956 1.00 73.53 H new ATOM 0 HE21 GLN A 32 4.922 25.093 -35.882 1.00 21.12 H new ATOM 0 HE22 GLN A 32 5.493 25.501 -37.504 1.00 21.12 H new ATOM 462 N LYS A 33 -1.606 27.209 -35.482 1.00 1.11 N ATOM 463 CA LYS A 33 -2.662 28.208 -35.373 1.00 44.31 C ATOM 464 C LYS A 33 -3.565 27.918 -34.179 1.00 12.22 C ATOM 465 O LYS A 33 -3.973 28.831 -33.460 1.00 54.13 O ATOM 466 CB LYS A 33 -3.493 28.243 -36.658 1.00 21.40 C ATOM 467 CG LYS A 33 -4.144 26.913 -36.998 1.00 35.33 C ATOM 468 CD LYS A 33 -4.888 26.978 -38.321 1.00 54.44 C ATOM 469 CE LYS A 33 -6.017 27.997 -38.275 1.00 11.30 C ATOM 470 NZ LYS A 33 -7.121 27.641 -39.209 1.00 51.24 N ATOM 0 H LYS A 33 -1.777 26.491 -36.186 1.00 1.11 H new ATOM 0 HA LYS A 33 -2.193 29.181 -35.223 1.00 44.31 H new ATOM 0 HB2 LYS A 33 -4.268 29.003 -36.559 1.00 21.40 H new ATOM 0 HB3 LYS A 33 -2.853 28.547 -37.486 1.00 21.40 H new ATOM 0 HG2 LYS A 33 -3.382 26.136 -37.046 1.00 35.33 H new ATOM 0 HG3 LYS A 33 -4.836 26.632 -36.204 1.00 35.33 H new ATOM 0 HD2 LYS A 33 -4.193 27.239 -39.119 1.00 54.44 H new ATOM 0 HD3 LYS A 33 -5.293 25.995 -38.561 1.00 54.44 H new ATOM 0 HE2 LYS A 33 -6.407 28.062 -37.259 1.00 11.30 H new ATOM 0 HE3 LYS A 33 -5.628 28.983 -38.531 1.00 11.30 H new ATOM 0 HZ1 LYS A 33 -7.871 28.359 -39.149 1.00 51.24 H new ATOM 0 HZ2 LYS A 33 -6.754 27.604 -40.182 1.00 51.24 H new ATOM 0 HZ3 LYS A 33 -7.509 26.712 -38.949 1.00 51.24 H new ATOM 480 N LEU A 34 -3.872 26.642 -33.970 1.00 1.24 N ATOM 481 CA LEU A 34 -4.725 26.231 -32.861 1.00 55.24 C ATOM 482 C LEU A 34 -4.045 26.499 -31.523 1.00 14.13 C ATOM 483 O LEU A 34 -4.525 27.301 -30.720 1.00 24.44 O ATOM 484 CB LEU A 34 -5.072 24.747 -32.982 1.00 42.05 C ATOM 485 CG LEU A 34 -6.334 24.415 -33.781 1.00 14.03 C ATOM 486 CD1 LEU A 34 -6.151 23.117 -34.551 1.00 1.30 C ATOM 487 CD2 LEU A 34 -7.540 24.324 -32.858 1.00 54.43 C ATOM 0 H LEU A 34 -3.542 25.874 -34.555 1.00 1.24 H new ATOM 0 HA LEU A 34 -5.643 26.817 -32.904 1.00 55.24 H new ATOM 0 HB2 LEU A 34 -4.228 24.234 -33.444 1.00 42.05 H new ATOM 0 HB3 LEU A 34 -5.184 24.338 -31.978 1.00 42.05 H new ATOM 0 HG LEU A 34 -6.510 25.217 -34.498 1.00 14.03 H new ATOM 0 HD11 LEU A 34 -7.058 22.897 -35.113 1.00 1.30 H new ATOM 0 HD12 LEU A 34 -5.312 23.218 -35.240 1.00 1.30 H new ATOM 0 HD13 LEU A 34 -5.951 22.305 -33.852 1.00 1.30 H new ATOM 0 HD21 LEU A 34 -8.429 24.087 -33.443 1.00 54.43 H new ATOM 0 HD22 LEU A 34 -7.374 23.541 -32.118 1.00 54.43 H new ATOM 0 HD23 LEU A 34 -7.683 25.278 -32.351 1.00 54.43 H new ATOM 498 N ILE A 35 -2.923 25.825 -31.289 1.00 52.40 N ATOM 499 CA ILE A 35 -2.175 25.993 -30.050 1.00 72.44 C ATOM 500 C ILE A 35 -1.867 27.464 -29.789 1.00 24.32 C ATOM 501 O ILE A 35 -1.849 27.912 -28.642 1.00 32.12 O ATOM 502 CB ILE A 35 -0.855 25.201 -30.076 1.00 44.04 C ATOM 503 CG1 ILE A 35 -1.095 23.754 -29.641 1.00 61.31 C ATOM 504 CG2 ILE A 35 0.180 25.864 -29.181 1.00 55.22 C ATOM 505 CD1 ILE A 35 -2.169 23.051 -30.441 1.00 41.35 C ATOM 0 H ILE A 35 -2.513 25.157 -31.942 1.00 52.40 H new ATOM 0 HA ILE A 35 -2.804 25.607 -29.248 1.00 72.44 H new ATOM 0 HB ILE A 35 -0.472 25.196 -31.097 1.00 44.04 H new ATOM 0 HG12 ILE A 35 -0.163 23.197 -29.732 1.00 61.31 H new ATOM 0 HG13 ILE A 35 -1.372 23.742 -28.587 1.00 61.31 H new ATOM 0 HG21 ILE A 35 1.107 25.291 -29.211 1.00 55.22 H new ATOM 0 HG22 ILE A 35 0.369 26.878 -29.532 1.00 55.22 H new ATOM 0 HG23 ILE A 35 -0.193 25.898 -28.157 1.00 55.22 H new ATOM 0 HD11 ILE A 35 -2.284 22.030 -30.077 1.00 41.35 H new ATOM 0 HD12 ILE A 35 -3.113 23.584 -30.330 1.00 41.35 H new ATOM 0 HD13 ILE A 35 -1.885 23.031 -31.493 1.00 41.35 H new ATOM 516 N LEU A 36 -1.626 28.211 -30.861 1.00 75.13 N ATOM 517 CA LEU A 36 -1.320 29.634 -30.748 1.00 64.33 C ATOM 518 C LEU A 36 -2.385 30.356 -29.929 1.00 31.45 C ATOM 519 O LEU A 36 -2.075 31.024 -28.942 1.00 21.33 O ATOM 520 CB LEU A 36 -1.215 30.264 -32.138 1.00 64.20 C ATOM 521 CG LEU A 36 -1.343 31.786 -32.196 1.00 4.24 C ATOM 522 CD1 LEU A 36 -0.247 32.445 -31.373 1.00 73.11 C ATOM 523 CD2 LEU A 36 -1.294 32.270 -33.637 1.00 13.40 C ATOM 0 H LEU A 36 -1.636 27.856 -31.817 1.00 75.13 H new ATOM 0 HA LEU A 36 -0.363 29.736 -30.236 1.00 64.33 H new ATOM 0 HB2 LEU A 36 -0.255 29.983 -32.571 1.00 64.20 H new ATOM 0 HB3 LEU A 36 -1.989 29.830 -32.771 1.00 64.20 H new ATOM 0 HG LEU A 36 -2.307 32.067 -31.772 1.00 4.24 H new ATOM 0 HD11 LEU A 36 -0.354 33.528 -31.426 1.00 73.11 H new ATOM 0 HD12 LEU A 36 -0.328 32.123 -30.335 1.00 73.11 H new ATOM 0 HD13 LEU A 36 0.727 32.157 -31.768 1.00 73.11 H new ATOM 0 HD21 LEU A 36 -1.387 33.356 -33.659 1.00 13.40 H new ATOM 0 HD22 LEU A 36 -0.345 31.977 -34.087 1.00 13.40 H new ATOM 0 HD23 LEU A 36 -2.115 31.824 -34.199 1.00 13.40 H new ATOM 534 N MET A 37 -3.639 30.216 -30.344 1.00 74.45 N ATOM 535 CA MET A 37 -4.749 30.854 -29.645 1.00 65.33 C ATOM 536 C MET A 37 -4.973 30.213 -28.279 1.00 23.54 C ATOM 537 O MET A 37 -5.534 30.833 -27.376 1.00 42.24 O ATOM 538 CB MET A 37 -6.027 30.759 -30.481 1.00 41.30 C ATOM 539 CG MET A 37 -6.101 31.789 -31.597 1.00 70.23 C ATOM 540 SD MET A 37 -6.955 33.296 -31.096 1.00 62.35 S ATOM 541 CE MET A 37 -5.757 34.538 -31.573 1.00 12.41 C ATOM 0 H MET A 37 -3.912 29.668 -31.159 1.00 74.45 H new ATOM 0 HA MET A 37 -4.497 31.904 -29.496 1.00 65.33 H new ATOM 0 HB2 MET A 37 -6.095 29.761 -30.914 1.00 41.30 H new ATOM 0 HB3 MET A 37 -6.890 30.882 -29.826 1.00 41.30 H new ATOM 0 HG2 MET A 37 -5.091 32.039 -31.923 1.00 70.23 H new ATOM 0 HG3 MET A 37 -6.614 31.354 -32.455 1.00 70.23 H new ATOM 0 HE1 MET A 37 -6.141 35.528 -31.327 1.00 12.41 H new ATOM 0 HE2 MET A 37 -4.823 34.368 -31.037 1.00 12.41 H new ATOM 0 HE3 MET A 37 -5.576 34.476 -32.646 1.00 12.41 H new ATOM 549 N TYR A 38 -4.531 28.968 -28.136 1.00 31.30 N ATOM 550 CA TYR A 38 -4.685 28.242 -26.881 1.00 61.01 C ATOM 551 C TYR A 38 -3.815 28.853 -25.787 1.00 11.23 C ATOM 552 O TYR A 38 -4.170 28.830 -24.609 1.00 14.12 O ATOM 553 CB TYR A 38 -4.324 26.769 -27.072 1.00 63.35 C ATOM 554 CG TYR A 38 -5.268 25.818 -26.370 1.00 2.20 C ATOM 555 CD1 TYR A 38 -5.262 25.697 -24.987 1.00 61.01 C ATOM 556 CD2 TYR A 38 -6.166 25.041 -27.093 1.00 53.45 C ATOM 557 CE1 TYR A 38 -6.122 24.829 -24.342 1.00 61.25 C ATOM 558 CE2 TYR A 38 -7.031 24.172 -26.456 1.00 11.42 C ATOM 559 CZ TYR A 38 -7.005 24.068 -25.081 1.00 41.40 C ATOM 560 OH TYR A 38 -7.864 23.204 -24.443 1.00 61.24 O ATOM 0 H TYR A 38 -4.063 28.441 -28.874 1.00 31.30 H new ATOM 0 HA TYR A 38 -5.728 28.317 -26.574 1.00 61.01 H new ATOM 0 HB2 TYR A 38 -4.317 26.540 -28.138 1.00 63.35 H new ATOM 0 HB3 TYR A 38 -3.312 26.601 -26.704 1.00 63.35 H new ATOM 0 HD1 TYR A 38 -4.573 26.292 -24.405 1.00 61.01 H new ATOM 0 HD2 TYR A 38 -6.188 25.118 -28.170 1.00 53.45 H new ATOM 0 HE1 TYR A 38 -6.103 24.746 -23.265 1.00 61.25 H new ATOM 0 HE2 TYR A 38 -7.724 23.577 -27.032 1.00 11.42 H new ATOM 0 HH TYR A 38 -8.419 22.745 -25.107 1.00 61.24 H new ATOM 569 N HIS A 39 -2.671 29.401 -26.187 1.00 21.20 N ATOM 570 CA HIS A 39 -1.748 30.020 -25.242 1.00 2.02 C ATOM 571 C HIS A 39 -2.467 31.050 -24.378 1.00 32.05 C ATOM 572 O HIS A 39 -3.544 31.539 -24.717 1.00 11.24 O ATOM 573 CB HIS A 39 -0.589 30.681 -25.989 1.00 31.44 C ATOM 574 CG HIS A 39 0.558 29.755 -26.255 1.00 44.52 C ATOM 575 ND1 HIS A 39 1.435 29.342 -25.276 1.00 32.05 N ATOM 576 CD2 HIS A 39 0.967 29.161 -27.401 1.00 13.11 C ATOM 577 CE1 HIS A 39 2.336 28.535 -25.807 1.00 23.45 C ATOM 578 NE2 HIS A 39 2.074 28.408 -27.095 1.00 12.51 N ATOM 0 H HIS A 39 -2.362 29.429 -27.159 1.00 21.20 H new ATOM 0 HA HIS A 39 -1.353 29.240 -24.592 1.00 2.02 H new ATOM 0 HB2 HIS A 39 -0.956 31.074 -26.937 1.00 31.44 H new ATOM 0 HB3 HIS A 39 -0.232 31.532 -25.409 1.00 31.44 H new ATOM 0 HD2 HIS A 39 0.508 29.261 -28.374 1.00 13.11 H new ATOM 0 HE1 HIS A 39 3.149 28.060 -25.278 1.00 23.45 H new ATOM 0 HE2 HIS A 39 2.607 27.842 -27.755 1.00 12.51 H new ATOM 585 N PRO A 40 -1.858 31.390 -23.231 1.00 3.33 N ATOM 586 CA PRO A 40 -2.422 32.365 -22.294 1.00 14.04 C ATOM 587 C PRO A 40 -2.388 33.786 -22.847 1.00 53.52 C ATOM 588 O PRO A 40 -1.326 34.304 -23.193 1.00 64.31 O ATOM 589 CB PRO A 40 -1.512 32.247 -21.069 1.00 55.31 C ATOM 590 CG PRO A 40 -0.218 31.739 -21.605 1.00 14.51 C ATOM 591 CD PRO A 40 -0.571 30.848 -22.763 1.00 23.13 C ATOM 0 HA PRO A 40 -3.473 32.167 -22.082 1.00 14.04 H new ATOM 0 HB2 PRO A 40 -1.385 33.211 -20.576 1.00 55.31 H new ATOM 0 HB3 PRO A 40 -1.930 31.563 -20.330 1.00 55.31 H new ATOM 0 HG2 PRO A 40 0.421 32.561 -21.926 1.00 14.51 H new ATOM 0 HG3 PRO A 40 0.331 31.188 -20.842 1.00 14.51 H new ATOM 0 HD2 PRO A 40 0.188 30.885 -23.544 1.00 23.13 H new ATOM 0 HD3 PRO A 40 -0.662 29.806 -22.455 1.00 23.13 H new ATOM 596 N ASP A 41 -3.557 34.413 -22.927 1.00 34.42 N ATOM 597 CA ASP A 41 -3.661 35.775 -23.435 1.00 45.22 C ATOM 598 C ASP A 41 -4.292 36.697 -22.397 1.00 35.40 C ATOM 599 O ASP A 41 -4.471 36.316 -21.240 1.00 32.42 O ATOM 600 CB ASP A 41 -4.486 35.799 -24.723 1.00 42.22 C ATOM 601 CG ASP A 41 -4.185 34.618 -25.626 1.00 53.04 C ATOM 602 OD1 ASP A 41 -3.006 34.438 -25.994 1.00 4.44 O ATOM 603 OD2 ASP A 41 -5.129 33.874 -25.963 1.00 33.14 O ATOM 0 H ASP A 41 -4.446 33.999 -22.646 1.00 34.42 H new ATOM 0 HA ASP A 41 -2.654 36.134 -23.649 1.00 45.22 H new ATOM 0 HB2 ASP A 41 -5.547 35.799 -24.472 1.00 42.22 H new ATOM 0 HB3 ASP A 41 -4.286 36.725 -25.262 1.00 42.22 H new ATOM 607 N LYS A 42 -4.625 37.913 -22.816 1.00 30.40 N ATOM 608 CA LYS A 42 -5.236 38.891 -21.923 1.00 64.41 C ATOM 609 C LYS A 42 -4.344 39.153 -20.714 1.00 52.32 C ATOM 610 O LYS A 42 -4.570 38.607 -19.634 1.00 2.11 O ATOM 611 CB LYS A 42 -6.609 38.400 -21.460 1.00 52.02 C ATOM 612 CG LYS A 42 -7.664 38.425 -22.553 1.00 32.44 C ATOM 613 CD LYS A 42 -8.397 37.097 -22.650 1.00 71.33 C ATOM 614 CE LYS A 42 -9.352 36.901 -21.483 1.00 74.23 C ATOM 615 NZ LYS A 42 -8.816 35.937 -20.482 1.00 2.21 N ATOM 0 H LYS A 42 -4.482 38.245 -23.770 1.00 30.40 H new ATOM 0 HA LYS A 42 -5.357 39.824 -22.473 1.00 64.41 H new ATOM 0 HB2 LYS A 42 -6.513 37.382 -21.082 1.00 52.02 H new ATOM 0 HB3 LYS A 42 -6.945 39.018 -20.628 1.00 52.02 H new ATOM 0 HG2 LYS A 42 -8.379 39.223 -22.352 1.00 32.44 H new ATOM 0 HG3 LYS A 42 -7.193 38.653 -23.509 1.00 32.44 H new ATOM 0 HD2 LYS A 42 -8.952 37.054 -23.587 1.00 71.33 H new ATOM 0 HD3 LYS A 42 -7.674 36.282 -22.671 1.00 71.33 H new ATOM 0 HE2 LYS A 42 -9.537 37.861 -21.000 1.00 74.23 H new ATOM 0 HE3 LYS A 42 -10.311 36.542 -21.855 1.00 74.23 H new ATOM 0 HZ1 LYS A 42 -9.581 35.636 -19.845 1.00 2.21 H new ATOM 0 HZ2 LYS A 42 -8.428 35.107 -20.973 1.00 2.21 H new ATOM 0 HZ3 LYS A 42 -8.064 36.394 -19.928 1.00 2.21 H new ATOM 625 N GLN A 43 -3.333 39.995 -20.902 1.00 24.33 N ATOM 626 CA GLN A 43 -2.409 40.331 -19.825 1.00 4.54 C ATOM 627 C GLN A 43 -2.712 41.713 -19.259 1.00 54.41 C ATOM 628 O GLN A 43 -3.352 42.537 -19.913 1.00 11.42 O ATOM 629 CB GLN A 43 -0.965 40.279 -20.330 1.00 51.12 C ATOM 630 CG GLN A 43 -0.527 38.895 -20.778 1.00 1.43 C ATOM 631 CD GLN A 43 -0.662 38.696 -22.275 1.00 52.33 C ATOM 632 OE1 GLN A 43 -1.772 38.626 -22.805 1.00 3.43 O ATOM 633 NE2 GLN A 43 0.468 38.604 -22.966 1.00 31.40 N ATOM 0 H GLN A 43 -3.133 40.457 -21.789 1.00 24.33 H new ATOM 0 HA GLN A 43 -2.536 39.597 -19.029 1.00 4.54 H new ATOM 0 HB2 GLN A 43 -0.855 40.973 -21.163 1.00 51.12 H new ATOM 0 HB3 GLN A 43 -0.299 40.623 -19.538 1.00 51.12 H new ATOM 0 HG2 GLN A 43 0.511 38.734 -20.486 1.00 1.43 H new ATOM 0 HG3 GLN A 43 -1.124 38.144 -20.260 1.00 1.43 H new ATOM 0 HE21 GLN A 43 1.366 38.667 -22.486 1.00 31.40 H new ATOM 0 HE22 GLN A 43 0.438 38.470 -23.977 1.00 31.40 H new ATOM 640 N SER A 44 -2.250 41.962 -18.037 1.00 42.10 N ATOM 641 CA SER A 44 -2.477 43.244 -17.381 1.00 34.24 C ATOM 642 C SER A 44 -1.163 43.998 -17.195 1.00 44.54 C ATOM 643 O SER A 44 -0.969 45.078 -17.756 1.00 43.11 O ATOM 644 CB SER A 44 -3.152 43.033 -16.024 1.00 3.13 C ATOM 645 OG SER A 44 -3.073 41.677 -15.620 1.00 60.20 O ATOM 0 H SER A 44 -1.717 41.293 -17.482 1.00 42.10 H new ATOM 0 HA SER A 44 -3.132 43.840 -18.017 1.00 34.24 H new ATOM 0 HB2 SER A 44 -2.677 43.667 -15.275 1.00 3.13 H new ATOM 0 HB3 SER A 44 -4.197 43.338 -16.083 1.00 3.13 H new ATOM 0 HG SER A 44 -3.510 41.569 -14.749 1.00 60.20 H new ATOM 650 N THR A 45 -0.263 43.423 -16.404 1.00 43.43 N ATOM 651 CA THR A 45 1.031 44.040 -16.143 1.00 41.24 C ATOM 652 C THR A 45 2.116 43.437 -17.027 1.00 3.11 C ATOM 653 O THR A 45 2.745 44.138 -17.820 1.00 53.44 O ATOM 654 CB THR A 45 1.441 43.882 -14.667 1.00 35.24 C ATOM 655 OG1 THR A 45 1.366 42.505 -14.282 1.00 73.12 O ATOM 656 CG2 THR A 45 0.544 44.716 -13.763 1.00 4.54 C ATOM 0 H THR A 45 -0.407 42.530 -15.933 1.00 43.43 H new ATOM 0 HA THR A 45 0.927 45.101 -16.372 1.00 41.24 H new ATOM 0 HB THR A 45 2.467 44.234 -14.559 1.00 35.24 H new ATOM 0 HG1 THR A 45 1.630 42.413 -13.343 1.00 73.12 H new ATOM 0 HG21 THR A 45 0.853 44.588 -12.726 1.00 4.54 H new ATOM 0 HG22 THR A 45 0.626 45.767 -14.039 1.00 4.54 H new ATOM 0 HG23 THR A 45 -0.490 44.391 -13.876 1.00 4.54 H new ATOM 664 N ASP A 46 2.330 42.134 -16.888 1.00 34.42 N ATOM 665 CA ASP A 46 3.339 41.435 -17.675 1.00 4.52 C ATOM 666 C ASP A 46 3.188 39.924 -17.534 1.00 20.52 C ATOM 667 O ASP A 46 2.725 39.247 -18.452 1.00 1.44 O ATOM 668 CB ASP A 46 4.742 41.863 -17.241 1.00 45.44 C ATOM 669 CG ASP A 46 5.371 42.848 -18.207 1.00 61.22 C ATOM 670 OD1 ASP A 46 5.865 42.407 -19.265 1.00 5.52 O ATOM 671 OD2 ASP A 46 5.370 44.060 -17.904 1.00 31.20 O ATOM 0 H ASP A 46 1.818 41.539 -16.237 1.00 34.42 H new ATOM 0 HA ASP A 46 3.195 41.700 -18.722 1.00 4.52 H new ATOM 0 HB2 ASP A 46 4.691 42.313 -16.249 1.00 45.44 H new ATOM 0 HB3 ASP A 46 5.379 40.982 -17.159 1.00 45.44 H new ATOM 675 N VAL A 47 3.584 39.400 -16.378 1.00 72.22 N ATOM 676 CA VAL A 47 3.493 37.969 -16.117 1.00 31.23 C ATOM 677 C VAL A 47 3.345 37.691 -14.624 1.00 4.04 C ATOM 678 O VAL A 47 4.285 37.268 -13.951 1.00 51.10 O ATOM 679 CB VAL A 47 4.731 37.222 -16.647 1.00 64.21 C ATOM 680 CG1 VAL A 47 4.683 37.117 -18.163 1.00 51.42 C ATOM 681 CG2 VAL A 47 6.006 37.915 -16.192 1.00 30.33 C ATOM 0 H VAL A 47 3.971 39.945 -15.608 1.00 72.22 H new ATOM 0 HA VAL A 47 2.608 37.607 -16.641 1.00 31.23 H new ATOM 0 HB VAL A 47 4.728 36.212 -16.237 1.00 64.21 H new ATOM 0 HG11 VAL A 47 5.566 36.586 -18.519 1.00 51.42 H new ATOM 0 HG12 VAL A 47 3.787 36.573 -18.462 1.00 51.42 H new ATOM 0 HG13 VAL A 47 4.661 38.117 -18.596 1.00 51.42 H new ATOM 0 HG21 VAL A 47 6.871 37.374 -16.575 1.00 30.33 H new ATOM 0 HG22 VAL A 47 6.020 38.937 -16.571 1.00 30.33 H new ATOM 0 HG23 VAL A 47 6.042 37.932 -15.103 1.00 30.33 H new ATOM 691 N PRO A 48 2.138 37.933 -14.094 1.00 61.01 N ATOM 692 CA PRO A 48 1.838 37.715 -12.676 1.00 32.44 C ATOM 693 C PRO A 48 1.810 36.235 -12.310 1.00 52.04 C ATOM 694 O PRO A 48 1.801 35.370 -13.185 1.00 42.42 O ATOM 695 CB PRO A 48 0.447 38.334 -12.508 1.00 1.13 C ATOM 696 CG PRO A 48 -0.163 38.268 -13.866 1.00 34.20 C ATOM 697 CD PRO A 48 0.972 38.438 -14.838 1.00 43.21 C ATOM 0 HA PRO A 48 2.596 38.154 -12.027 1.00 32.44 H new ATOM 0 HB2 PRO A 48 -0.147 37.782 -11.780 1.00 1.13 H new ATOM 0 HB3 PRO A 48 0.511 39.362 -12.152 1.00 1.13 H new ATOM 0 HG2 PRO A 48 -0.670 37.315 -14.020 1.00 34.20 H new ATOM 0 HG3 PRO A 48 -0.910 39.051 -13.997 1.00 34.20 H new ATOM 0 HD2 PRO A 48 0.804 37.872 -15.754 1.00 43.21 H new ATOM 0 HD3 PRO A 48 1.101 39.481 -15.127 1.00 43.21 H new ATOM 702 N ALA A 49 1.796 35.951 -11.011 1.00 2.30 N ATOM 703 CA ALA A 49 1.767 34.576 -10.530 1.00 43.51 C ATOM 704 C ALA A 49 0.640 33.788 -11.189 1.00 43.24 C ATOM 705 O ALA A 49 0.741 32.576 -11.374 1.00 33.41 O ATOM 706 CB ALA A 49 1.616 34.549 -9.017 1.00 14.43 C ATOM 0 H ALA A 49 1.804 36.656 -10.274 1.00 2.30 H new ATOM 0 HA ALA A 49 2.712 34.104 -10.799 1.00 43.51 H new ATOM 0 HB1 ALA A 49 1.596 33.515 -8.672 1.00 14.43 H new ATOM 0 HB2 ALA A 49 2.457 35.069 -8.558 1.00 14.43 H new ATOM 0 HB3 ALA A 49 0.687 35.044 -8.735 1.00 14.43 H new ATOM 712 N GLY A 50 -0.436 34.485 -11.543 1.00 52.50 N ATOM 713 CA GLY A 50 -1.567 33.833 -12.178 1.00 32.21 C ATOM 714 C GLY A 50 -1.276 33.429 -13.609 1.00 14.11 C ATOM 715 O GLY A 50 -1.786 32.418 -14.093 1.00 11.34 O ATOM 0 H GLY A 50 -0.545 35.489 -11.401 1.00 52.50 H new ATOM 0 HA2 GLY A 50 -1.842 32.949 -11.603 1.00 32.21 H new ATOM 0 HA3 GLY A 50 -2.426 34.504 -12.161 1.00 32.21 H new ATOM 719 N THR A 51 -0.455 34.223 -14.291 1.00 52.12 N ATOM 720 CA THR A 51 -0.098 33.944 -15.676 1.00 50.33 C ATOM 721 C THR A 51 1.051 32.948 -15.759 1.00 63.43 C ATOM 722 O THR A 51 1.136 32.159 -16.700 1.00 4.43 O ATOM 723 CB THR A 51 0.299 35.232 -16.423 1.00 25.20 C ATOM 724 OG1 THR A 51 -0.774 36.179 -16.372 1.00 62.53 O ATOM 725 CG2 THR A 51 0.647 34.930 -17.873 1.00 12.31 C ATOM 0 H THR A 51 -0.025 35.064 -13.906 1.00 52.12 H new ATOM 0 HA THR A 51 -0.981 33.514 -16.149 1.00 50.33 H new ATOM 0 HB THR A 51 1.178 35.653 -15.934 1.00 25.20 H new ATOM 0 HG1 THR A 51 -0.661 36.840 -17.086 1.00 62.53 H new ATOM 0 HG21 THR A 51 0.924 35.854 -18.381 1.00 12.31 H new ATOM 0 HG22 THR A 51 1.483 34.232 -17.909 1.00 12.31 H new ATOM 0 HG23 THR A 51 -0.217 34.488 -18.370 1.00 12.31 H new ATOM 733 N VAL A 52 1.935 32.986 -14.767 1.00 61.32 N ATOM 734 CA VAL A 52 3.079 32.083 -14.726 1.00 13.53 C ATOM 735 C VAL A 52 2.630 30.627 -14.712 1.00 2.12 C ATOM 736 O VAL A 52 3.056 29.829 -15.546 1.00 23.11 O ATOM 737 CB VAL A 52 3.960 32.349 -13.491 1.00 51.33 C ATOM 738 CG1 VAL A 52 5.143 31.394 -13.463 1.00 62.22 C ATOM 739 CG2 VAL A 52 4.432 33.796 -13.475 1.00 21.23 C ATOM 0 H VAL A 52 1.881 33.633 -13.980 1.00 61.32 H new ATOM 0 HA VAL A 52 3.663 32.271 -15.627 1.00 13.53 H new ATOM 0 HB VAL A 52 3.362 32.175 -12.596 1.00 51.33 H new ATOM 0 HG11 VAL A 52 5.754 31.597 -12.583 1.00 62.22 H new ATOM 0 HG12 VAL A 52 4.781 30.367 -13.424 1.00 62.22 H new ATOM 0 HG13 VAL A 52 5.744 31.533 -14.362 1.00 62.22 H new ATOM 0 HG21 VAL A 52 5.053 33.966 -12.596 1.00 21.23 H new ATOM 0 HG22 VAL A 52 5.013 33.999 -14.375 1.00 21.23 H new ATOM 0 HG23 VAL A 52 3.568 34.460 -13.443 1.00 21.23 H new ATOM 749 N GLU A 53 1.767 30.288 -13.759 1.00 43.34 N ATOM 750 CA GLU A 53 1.260 28.927 -13.638 1.00 22.33 C ATOM 751 C GLU A 53 0.361 28.572 -14.818 1.00 10.20 C ATOM 752 O GLU A 53 0.432 27.468 -15.357 1.00 11.02 O ATOM 753 CB GLU A 53 0.489 28.761 -12.327 1.00 71.15 C ATOM 754 CG GLU A 53 1.287 29.159 -11.097 1.00 71.42 C ATOM 755 CD GLU A 53 0.432 29.232 -9.846 1.00 21.00 C ATOM 756 OE1 GLU A 53 -0.739 28.801 -9.902 1.00 2.14 O ATOM 757 OE2 GLU A 53 0.934 29.720 -8.811 1.00 41.31 O ATOM 0 H GLU A 53 1.405 30.937 -13.060 1.00 43.34 H new ATOM 0 HA GLU A 53 2.113 28.249 -13.638 1.00 22.33 H new ATOM 0 HB2 GLU A 53 -0.419 29.362 -12.371 1.00 71.15 H new ATOM 0 HB3 GLU A 53 0.178 27.721 -12.227 1.00 71.15 H new ATOM 0 HG2 GLU A 53 2.091 28.440 -10.942 1.00 71.42 H new ATOM 0 HG3 GLU A 53 1.755 30.128 -11.270 1.00 71.42 H new ATOM 762 N GLU A 54 -0.486 29.518 -15.214 1.00 14.12 N ATOM 763 CA GLU A 54 -1.400 29.306 -16.329 1.00 43.02 C ATOM 764 C GLU A 54 -0.631 29.092 -17.630 1.00 54.54 C ATOM 765 O GLU A 54 -1.125 28.450 -18.558 1.00 33.41 O ATOM 766 CB GLU A 54 -2.350 30.498 -16.474 1.00 21.54 C ATOM 767 CG GLU A 54 -3.569 30.417 -15.571 1.00 22.20 C ATOM 768 CD GLU A 54 -4.595 31.489 -15.882 1.00 64.43 C ATOM 769 OE1 GLU A 54 -4.360 32.283 -16.817 1.00 64.32 O ATOM 770 OE2 GLU A 54 -5.634 31.534 -15.189 1.00 0.34 O ATOM 0 H GLU A 54 -0.557 30.438 -14.779 1.00 14.12 H new ATOM 0 HA GLU A 54 -1.984 28.409 -16.121 1.00 43.02 H new ATOM 0 HB2 GLU A 54 -1.805 31.416 -16.253 1.00 21.54 H new ATOM 0 HB3 GLU A 54 -2.680 30.565 -17.511 1.00 21.54 H new ATOM 0 HG2 GLU A 54 -4.031 29.435 -15.677 1.00 22.20 H new ATOM 0 HG3 GLU A 54 -3.254 30.511 -14.532 1.00 22.20 H new ATOM 775 N CYS A 55 0.579 29.638 -17.691 1.00 63.43 N ATOM 776 CA CYS A 55 1.416 29.510 -18.878 1.00 45.01 C ATOM 777 C CYS A 55 2.147 28.171 -18.888 1.00 74.45 C ATOM 778 O CYS A 55 2.020 27.389 -19.829 1.00 63.34 O ATOM 779 CB CYS A 55 2.427 30.657 -18.942 1.00 65.42 C ATOM 780 SG CYS A 55 3.344 30.747 -20.496 1.00 45.32 S ATOM 0 H CYS A 55 1.002 30.173 -16.932 1.00 63.43 H new ATOM 0 HA CYS A 55 0.769 29.556 -19.754 1.00 45.01 H new ATOM 0 HB2 CYS A 55 1.901 31.599 -18.788 1.00 65.42 H new ATOM 0 HB3 CYS A 55 3.135 30.549 -18.120 1.00 65.42 H new ATOM 0 HG CYS A 55 4.171 31.749 -20.454 1.00 45.32 H new ATOM 785 N VAL A 56 2.912 27.914 -17.831 1.00 4.01 N ATOM 786 CA VAL A 56 3.664 26.670 -17.717 1.00 32.05 C ATOM 787 C VAL A 56 2.756 25.460 -17.900 1.00 73.54 C ATOM 788 O VAL A 56 3.019 24.593 -18.733 1.00 34.24 O ATOM 789 CB VAL A 56 4.372 26.565 -16.353 1.00 14.05 C ATOM 790 CG1 VAL A 56 5.222 25.305 -16.287 1.00 53.55 C ATOM 791 CG2 VAL A 56 5.219 27.803 -16.096 1.00 62.04 C ATOM 0 H VAL A 56 3.027 28.550 -17.042 1.00 4.01 H new ATOM 0 HA VAL A 56 4.414 26.680 -18.508 1.00 32.05 H new ATOM 0 HB VAL A 56 3.613 26.503 -15.573 1.00 14.05 H new ATOM 0 HG11 VAL A 56 5.714 25.249 -15.316 1.00 53.55 H new ATOM 0 HG12 VAL A 56 4.587 24.430 -16.423 1.00 53.55 H new ATOM 0 HG13 VAL A 56 5.975 25.333 -17.074 1.00 53.55 H new ATOM 0 HG21 VAL A 56 5.712 27.712 -15.128 1.00 62.04 H new ATOM 0 HG22 VAL A 56 5.971 27.898 -16.879 1.00 62.04 H new ATOM 0 HG23 VAL A 56 4.581 28.687 -16.097 1.00 62.04 H new ATOM 801 N GLN A 57 1.683 25.408 -17.116 1.00 35.40 N ATOM 802 CA GLN A 57 0.735 24.304 -17.191 1.00 45.14 C ATOM 803 C GLN A 57 0.269 24.082 -18.626 1.00 0.55 C ATOM 804 O GLN A 57 0.505 23.024 -19.211 1.00 20.43 O ATOM 805 CB GLN A 57 -0.471 24.576 -16.288 1.00 4.52 C ATOM 806 CG GLN A 57 -1.105 23.315 -15.725 1.00 10.13 C ATOM 807 CD GLN A 57 -2.530 23.538 -15.256 1.00 34.24 C ATOM 808 OE1 GLN A 57 -3.486 23.213 -15.960 1.00 21.15 O ATOM 809 NE2 GLN A 57 -2.678 24.096 -14.060 1.00 64.11 N ATOM 0 H GLN A 57 1.449 26.118 -16.422 1.00 35.40 H new ATOM 0 HA GLN A 57 1.241 23.401 -16.848 1.00 45.14 H new ATOM 0 HB2 GLN A 57 -0.159 25.216 -15.462 1.00 4.52 H new ATOM 0 HB3 GLN A 57 -1.221 25.128 -16.854 1.00 4.52 H new ATOM 0 HG2 GLN A 57 -1.095 22.536 -16.488 1.00 10.13 H new ATOM 0 HG3 GLN A 57 -0.504 22.952 -14.891 1.00 10.13 H new ATOM 0 HE21 GLN A 57 -1.857 24.349 -13.510 1.00 64.11 H new ATOM 0 HE22 GLN A 57 -3.613 24.271 -13.691 1.00 64.11 H new ATOM 816 N LYS A 58 -0.391 25.087 -19.191 1.00 2.31 N ATOM 817 CA LYS A 58 -0.889 25.003 -20.559 1.00 11.24 C ATOM 818 C LYS A 58 0.223 24.588 -21.518 1.00 40.53 C ATOM 819 O LYS A 58 -0.018 23.870 -22.489 1.00 2.12 O ATOM 820 CB LYS A 58 -1.475 26.349 -20.993 1.00 4.11 C ATOM 821 CG LYS A 58 -2.967 26.473 -20.738 1.00 72.23 C ATOM 822 CD LYS A 58 -3.592 27.559 -21.598 1.00 25.21 C ATOM 823 CE LYS A 58 -5.032 27.833 -21.191 1.00 3.42 C ATOM 824 NZ LYS A 58 -5.116 28.842 -20.099 1.00 41.35 N ATOM 0 H LYS A 58 -0.594 25.970 -18.722 1.00 2.31 H new ATOM 0 HA LYS A 58 -1.672 24.245 -20.589 1.00 11.24 H new ATOM 0 HB2 LYS A 58 -0.957 27.149 -20.464 1.00 4.11 H new ATOM 0 HB3 LYS A 58 -1.283 26.493 -22.056 1.00 4.11 H new ATOM 0 HG2 LYS A 58 -3.453 25.519 -20.945 1.00 72.23 H new ATOM 0 HG3 LYS A 58 -3.140 26.697 -19.685 1.00 72.23 H new ATOM 0 HD2 LYS A 58 -3.008 28.475 -21.511 1.00 25.21 H new ATOM 0 HD3 LYS A 58 -3.560 27.259 -22.645 1.00 25.21 H new ATOM 0 HE2 LYS A 58 -5.593 28.186 -22.056 1.00 3.42 H new ATOM 0 HE3 LYS A 58 -5.500 26.904 -20.865 1.00 3.42 H new ATOM 0 HZ1 LYS A 58 -6.113 29.002 -19.850 1.00 41.35 H new ATOM 0 HZ2 LYS A 58 -4.602 28.494 -19.265 1.00 41.35 H new ATOM 0 HZ3 LYS A 58 -4.692 29.736 -20.419 1.00 41.35 H new ATOM 834 N PHE A 59 1.440 25.042 -21.238 1.00 51.44 N ATOM 835 CA PHE A 59 2.588 24.718 -22.076 1.00 31.10 C ATOM 836 C PHE A 59 2.718 23.208 -22.258 1.00 3.31 C ATOM 837 O PHE A 59 3.063 22.731 -23.340 1.00 24.55 O ATOM 838 CB PHE A 59 3.871 25.281 -21.461 1.00 70.24 C ATOM 839 CG PHE A 59 4.657 26.147 -22.402 1.00 43.43 C ATOM 840 CD1 PHE A 59 5.550 25.585 -23.301 1.00 62.54 C ATOM 841 CD2 PHE A 59 4.504 27.524 -22.390 1.00 13.30 C ATOM 842 CE1 PHE A 59 6.274 26.379 -24.170 1.00 10.04 C ATOM 843 CE2 PHE A 59 5.226 28.323 -23.256 1.00 14.32 C ATOM 844 CZ PHE A 59 6.113 27.750 -24.147 1.00 34.34 C ATOM 0 H PHE A 59 1.657 25.635 -20.437 1.00 51.44 H new ATOM 0 HA PHE A 59 2.433 25.173 -23.054 1.00 31.10 H new ATOM 0 HB2 PHE A 59 3.615 25.861 -20.574 1.00 70.24 H new ATOM 0 HB3 PHE A 59 4.499 24.454 -21.131 1.00 70.24 H new ATOM 0 HD1 PHE A 59 5.682 24.513 -23.323 1.00 62.54 H new ATOM 0 HD2 PHE A 59 3.812 27.978 -21.696 1.00 13.30 H new ATOM 0 HE1 PHE A 59 6.965 25.927 -24.866 1.00 10.04 H new ATOM 0 HE2 PHE A 59 5.097 29.395 -23.236 1.00 14.32 H new ATOM 0 HZ PHE A 59 6.679 28.373 -24.824 1.00 34.34 H new ATOM 853 N ILE A 60 2.442 22.465 -21.193 1.00 65.43 N ATOM 854 CA ILE A 60 2.527 21.009 -21.236 1.00 34.24 C ATOM 855 C ILE A 60 1.365 20.412 -22.024 1.00 15.55 C ATOM 856 O ILE A 60 1.524 19.405 -22.712 1.00 21.10 O ATOM 857 CB ILE A 60 2.535 20.405 -19.819 1.00 30.52 C ATOM 858 CG1 ILE A 60 3.668 21.011 -18.989 1.00 22.25 C ATOM 859 CG2 ILE A 60 2.674 18.891 -19.890 1.00 15.21 C ATOM 860 CD1 ILE A 60 3.616 20.631 -17.526 1.00 30.41 C ATOM 0 H ILE A 60 2.158 22.845 -20.290 1.00 65.43 H new ATOM 0 HA ILE A 60 3.465 20.762 -21.734 1.00 34.24 H new ATOM 0 HB ILE A 60 1.588 20.641 -19.334 1.00 30.52 H new ATOM 0 HG12 ILE A 60 4.623 20.691 -19.405 1.00 22.25 H new ATOM 0 HG13 ILE A 60 3.630 22.097 -19.075 1.00 22.25 H new ATOM 0 HG21 ILE A 60 2.678 18.478 -18.881 1.00 15.21 H new ATOM 0 HG22 ILE A 60 1.836 18.475 -20.449 1.00 15.21 H new ATOM 0 HG23 ILE A 60 3.608 18.634 -20.391 1.00 15.21 H new ATOM 0 HD11 ILE A 60 4.449 21.096 -16.999 1.00 30.41 H new ATOM 0 HD12 ILE A 60 2.676 20.975 -17.094 1.00 30.41 H new ATOM 0 HD13 ILE A 60 3.685 19.548 -17.429 1.00 30.41 H new ATOM 871 N GLU A 61 0.201 21.044 -21.919 1.00 24.30 N ATOM 872 CA GLU A 61 -0.987 20.575 -22.623 1.00 61.02 C ATOM 873 C GLU A 61 -0.817 20.720 -24.133 1.00 74.30 C ATOM 874 O GLU A 61 -0.812 19.731 -24.865 1.00 3.04 O ATOM 875 CB GLU A 61 -2.222 21.353 -22.162 1.00 21.53 C ATOM 876 CG GLU A 61 -3.193 20.520 -21.341 1.00 45.32 C ATOM 877 CD GLU A 61 -2.820 20.465 -19.873 1.00 62.22 C ATOM 878 OE1 GLU A 61 -2.292 21.472 -19.358 1.00 0.35 O ATOM 879 OE2 GLU A 61 -3.056 19.415 -19.239 1.00 0.13 O ATOM 0 H GLU A 61 0.055 21.881 -21.354 1.00 24.30 H new ATOM 0 HA GLU A 61 -1.123 19.519 -22.389 1.00 61.02 H new ATOM 0 HB2 GLU A 61 -1.901 22.210 -21.570 1.00 21.53 H new ATOM 0 HB3 GLU A 61 -2.742 21.745 -23.036 1.00 21.53 H new ATOM 0 HG2 GLU A 61 -4.196 20.935 -21.442 1.00 45.32 H new ATOM 0 HG3 GLU A 61 -3.225 19.507 -21.742 1.00 45.32 H new ATOM 884 N ILE A 62 -0.679 21.960 -24.590 1.00 14.53 N ATOM 885 CA ILE A 62 -0.508 22.235 -26.011 1.00 60.00 C ATOM 886 C ILE A 62 0.653 21.435 -26.591 1.00 32.35 C ATOM 887 O ILE A 62 0.625 21.033 -27.754 1.00 73.54 O ATOM 888 CB ILE A 62 -0.263 23.734 -26.269 1.00 1.51 C ATOM 889 CG1 ILE A 62 0.790 24.275 -25.301 1.00 34.44 C ATOM 890 CG2 ILE A 62 -1.562 24.514 -26.138 1.00 70.34 C ATOM 891 CD1 ILE A 62 1.884 25.069 -25.978 1.00 20.13 C ATOM 0 H ILE A 62 -0.682 22.790 -23.997 1.00 14.53 H new ATOM 0 HA ILE A 62 -1.433 21.936 -26.503 1.00 60.00 H new ATOM 0 HB ILE A 62 0.109 23.856 -27.286 1.00 1.51 H new ATOM 0 HG12 ILE A 62 0.300 24.906 -24.560 1.00 34.44 H new ATOM 0 HG13 ILE A 62 1.239 23.441 -24.762 1.00 34.44 H new ATOM 0 HG21 ILE A 62 -1.372 25.571 -26.323 1.00 70.34 H new ATOM 0 HG22 ILE A 62 -2.284 24.142 -26.865 1.00 70.34 H new ATOM 0 HG23 ILE A 62 -1.962 24.388 -25.132 1.00 70.34 H new ATOM 0 HD11 ILE A 62 2.594 25.421 -25.230 1.00 20.13 H new ATOM 0 HD12 ILE A 62 2.400 24.435 -26.699 1.00 20.13 H new ATOM 0 HD13 ILE A 62 1.447 25.924 -26.494 1.00 20.13 H new ATOM 902 N ASP A 63 1.673 21.205 -25.771 1.00 55.10 N ATOM 903 CA ASP A 63 2.844 20.449 -26.201 1.00 74.05 C ATOM 904 C ASP A 63 2.564 18.950 -26.169 1.00 24.32 C ATOM 905 O ASP A 63 3.189 18.178 -26.897 1.00 71.44 O ATOM 906 CB ASP A 63 4.043 20.776 -25.310 1.00 31.33 C ATOM 907 CG ASP A 63 4.618 22.149 -25.593 1.00 0.01 C ATOM 908 OD1 ASP A 63 4.173 22.790 -26.568 1.00 65.13 O ATOM 909 OD2 ASP A 63 5.514 22.584 -24.840 1.00 74.42 O ATOM 0 H ASP A 63 1.713 21.531 -24.805 1.00 55.10 H new ATOM 0 HA ASP A 63 3.075 20.735 -27.227 1.00 74.05 H new ATOM 0 HB2 ASP A 63 3.740 20.721 -24.264 1.00 31.33 H new ATOM 0 HB3 ASP A 63 4.818 20.024 -25.458 1.00 31.33 H new ATOM 913 N GLN A 64 1.623 18.546 -25.321 1.00 5.34 N ATOM 914 CA GLN A 64 1.264 17.139 -25.195 1.00 53.22 C ATOM 915 C GLN A 64 0.798 16.574 -26.533 1.00 62.34 C ATOM 916 O GLN A 64 1.351 15.593 -27.029 1.00 12.23 O ATOM 917 CB GLN A 64 0.166 16.965 -24.144 1.00 62.42 C ATOM 918 CG GLN A 64 0.507 15.943 -23.071 1.00 62.53 C ATOM 919 CD GLN A 64 -0.629 15.725 -22.091 1.00 11.04 C ATOM 920 OE1 GLN A 64 -1.530 16.555 -21.973 1.00 1.11 O ATOM 921 NE2 GLN A 64 -0.590 14.603 -21.380 1.00 52.25 N ATOM 0 H GLN A 64 1.097 19.173 -24.712 1.00 5.34 H new ATOM 0 HA GLN A 64 2.151 16.590 -24.879 1.00 53.22 H new ATOM 0 HB2 GLN A 64 -0.027 17.927 -23.669 1.00 62.42 H new ATOM 0 HB3 GLN A 64 -0.756 16.664 -24.641 1.00 62.42 H new ATOM 0 HG2 GLN A 64 0.760 14.995 -23.545 1.00 62.53 H new ATOM 0 HG3 GLN A 64 1.392 16.274 -22.528 1.00 62.53 H new ATOM 0 HE21 GLN A 64 0.176 13.943 -21.511 1.00 52.25 H new ATOM 0 HE22 GLN A 64 -1.327 14.402 -20.704 1.00 52.25 H new ATOM 928 N ALA A 65 -0.223 17.198 -27.110 1.00 63.25 N ATOM 929 CA ALA A 65 -0.762 16.758 -28.392 1.00 74.13 C ATOM 930 C ALA A 65 0.245 16.979 -29.515 1.00 45.34 C ATOM 931 O ALA A 65 0.379 16.147 -30.413 1.00 12.10 O ATOM 932 CB ALA A 65 -2.063 17.487 -28.694 1.00 3.02 C ATOM 0 H ALA A 65 -0.694 18.010 -26.711 1.00 63.25 H new ATOM 0 HA ALA A 65 -0.964 15.689 -28.327 1.00 74.13 H new ATOM 0 HB1 ALA A 65 -2.455 17.150 -29.654 1.00 3.02 H new ATOM 0 HB2 ALA A 65 -2.790 17.274 -27.910 1.00 3.02 H new ATOM 0 HB3 ALA A 65 -1.878 18.560 -28.735 1.00 3.02 H new ATOM 938 N TRP A 66 0.948 18.103 -29.460 1.00 10.31 N ATOM 939 CA TRP A 66 1.943 18.433 -30.475 1.00 24.21 C ATOM 940 C TRP A 66 2.900 17.267 -30.698 1.00 53.11 C ATOM 941 O TRP A 66 3.439 17.094 -31.792 1.00 31.53 O ATOM 942 CB TRP A 66 2.727 19.680 -30.064 1.00 54.44 C ATOM 943 CG TRP A 66 3.748 20.101 -31.077 1.00 23.53 C ATOM 944 CD1 TRP A 66 3.671 19.945 -32.432 1.00 30.33 C ATOM 945 CD2 TRP A 66 5.000 20.744 -30.815 1.00 1.43 C ATOM 946 NE1 TRP A 66 4.800 20.452 -33.028 1.00 11.44 N ATOM 947 CE2 TRP A 66 5.630 20.949 -32.059 1.00 35.35 C ATOM 948 CE3 TRP A 66 5.648 21.169 -29.653 1.00 24.15 C ATOM 949 CZ2 TRP A 66 6.878 21.559 -32.168 1.00 61.14 C ATOM 950 CZ3 TRP A 66 6.886 21.773 -29.764 1.00 54.20 C ATOM 951 CH2 TRP A 66 7.491 21.965 -31.014 1.00 63.14 C ATOM 0 H TRP A 66 0.848 18.802 -28.724 1.00 10.31 H new ATOM 0 HA TRP A 66 1.419 18.633 -31.410 1.00 24.21 H new ATOM 0 HB2 TRP A 66 2.029 20.501 -29.899 1.00 54.44 H new ATOM 0 HB3 TRP A 66 3.226 19.490 -29.114 1.00 54.44 H new ATOM 0 HD1 TRP A 66 2.844 19.490 -32.957 1.00 30.33 H new ATOM 0 HE1 TRP A 66 4.989 20.457 -34.030 1.00 11.44 H new ATOM 0 HE3 TRP A 66 5.190 21.028 -28.685 1.00 24.15 H new ATOM 0 HZ2 TRP A 66 7.345 21.706 -33.130 1.00 61.14 H new ATOM 0 HZ3 TRP A 66 7.397 22.103 -28.872 1.00 54.20 H new ATOM 0 HH2 TRP A 66 8.458 22.442 -31.067 1.00 63.14 H new ATOM 961 N LYS A 67 3.108 16.470 -29.655 1.00 42.33 N ATOM 962 CA LYS A 67 3.999 15.318 -29.738 1.00 43.31 C ATOM 963 C LYS A 67 3.308 14.143 -30.422 1.00 44.53 C ATOM 964 O LYS A 67 3.718 13.712 -31.500 1.00 52.21 O ATOM 965 CB LYS A 67 4.464 14.906 -28.340 1.00 52.41 C ATOM 966 CG LYS A 67 5.621 15.738 -27.814 1.00 5.03 C ATOM 967 CD LYS A 67 6.134 15.203 -26.487 1.00 5.44 C ATOM 968 CE LYS A 67 5.102 15.367 -25.383 1.00 43.35 C ATOM 969 NZ LYS A 67 5.633 16.159 -24.240 1.00 35.33 N ATOM 0 H LYS A 67 2.672 16.601 -28.742 1.00 42.33 H new ATOM 0 HA LYS A 67 4.866 15.603 -30.334 1.00 43.31 H new ATOM 0 HB2 LYS A 67 3.625 14.987 -27.649 1.00 52.41 H new ATOM 0 HB3 LYS A 67 4.761 13.857 -28.359 1.00 52.41 H new ATOM 0 HG2 LYS A 67 6.430 15.740 -28.544 1.00 5.03 H new ATOM 0 HG3 LYS A 67 5.300 16.772 -27.691 1.00 5.03 H new ATOM 0 HD2 LYS A 67 6.390 14.149 -26.593 1.00 5.44 H new ATOM 0 HD3 LYS A 67 7.049 15.727 -26.212 1.00 5.44 H new ATOM 0 HE2 LYS A 67 4.216 15.858 -25.785 1.00 43.35 H new ATOM 0 HE3 LYS A 67 4.789 14.384 -25.030 1.00 43.35 H new ATOM 0 HZ1 LYS A 67 4.899 16.248 -23.509 1.00 35.33 H new ATOM 0 HZ2 LYS A 67 6.464 15.678 -23.840 1.00 35.33 H new ATOM 0 HZ3 LYS A 67 5.908 17.106 -24.572 1.00 35.33 H new ATOM 979 N ILE A 68 2.257 13.631 -29.791 1.00 75.02 N ATOM 980 CA ILE A 68 1.508 12.508 -30.340 1.00 23.44 C ATOM 981 C ILE A 68 0.354 12.990 -31.212 1.00 15.41 C ATOM 982 O ILE A 68 -0.753 12.455 -31.147 1.00 73.24 O ATOM 983 CB ILE A 68 0.951 11.603 -29.225 1.00 3.32 C ATOM 984 CG1 ILE A 68 0.013 12.397 -28.314 1.00 1.33 C ATOM 985 CG2 ILE A 68 2.089 10.992 -28.421 1.00 53.43 C ATOM 986 CD1 ILE A 68 -0.827 11.528 -27.406 1.00 41.12 C ATOM 0 H ILE A 68 1.905 13.976 -28.898 1.00 75.02 H new ATOM 0 HA ILE A 68 2.205 11.933 -30.949 1.00 23.44 H new ATOM 0 HB ILE A 68 0.382 10.795 -29.684 1.00 3.32 H new ATOM 0 HG12 ILE A 68 0.604 13.080 -27.704 1.00 1.33 H new ATOM 0 HG13 ILE A 68 -0.646 13.009 -28.930 1.00 1.33 H new ATOM 0 HG21 ILE A 68 1.680 10.355 -27.637 1.00 53.43 H new ATOM 0 HG22 ILE A 68 2.721 10.396 -29.080 1.00 53.43 H new ATOM 0 HG23 ILE A 68 2.683 11.787 -27.970 1.00 53.43 H new ATOM 0 HD11 ILE A 68 -1.467 12.159 -26.789 1.00 41.12 H new ATOM 0 HD12 ILE A 68 -1.445 10.863 -28.009 1.00 41.12 H new ATOM 0 HD13 ILE A 68 -0.175 10.935 -26.764 1.00 41.12 H new ATOM 997 N LEU A 69 0.621 14.004 -32.029 1.00 33.21 N ATOM 998 CA LEU A 69 -0.395 14.559 -32.917 1.00 63.41 C ATOM 999 C LEU A 69 -0.760 13.564 -34.014 1.00 54.35 C ATOM 1000 O LEU A 69 -1.697 13.787 -34.781 1.00 4.04 O ATOM 1001 CB LEU A 69 0.101 15.864 -33.539 1.00 10.24 C ATOM 1002 CG LEU A 69 -0.903 17.016 -33.574 1.00 53.12 C ATOM 1003 CD1 LEU A 69 -0.297 18.233 -34.256 1.00 71.33 C ATOM 1004 CD2 LEU A 69 -2.181 16.588 -34.281 1.00 41.44 C ATOM 0 H LEU A 69 1.532 14.458 -32.095 1.00 33.21 H new ATOM 0 HA LEU A 69 -1.288 14.763 -32.326 1.00 63.41 H new ATOM 0 HB2 LEU A 69 0.982 16.193 -32.988 1.00 10.24 H new ATOM 0 HB3 LEU A 69 0.422 15.657 -34.560 1.00 10.24 H new ATOM 0 HG LEU A 69 -1.152 17.287 -32.548 1.00 53.12 H new ATOM 0 HD11 LEU A 69 -1.027 19.043 -34.271 1.00 71.33 H new ATOM 0 HD12 LEU A 69 0.589 18.554 -33.708 1.00 71.33 H new ATOM 0 HD13 LEU A 69 -0.019 17.976 -35.278 1.00 71.33 H new ATOM 0 HD21 LEU A 69 -2.884 17.420 -34.297 1.00 41.44 H new ATOM 0 HD22 LEU A 69 -1.949 16.290 -35.303 1.00 41.44 H new ATOM 0 HD23 LEU A 69 -2.626 15.747 -33.750 1.00 41.44 H new ATOM 1015 N GLY A 70 -0.015 12.466 -34.083 1.00 62.15 N ATOM 1016 CA GLY A 70 -0.277 11.453 -35.089 1.00 71.24 C ATOM 1017 C GLY A 70 -1.699 10.929 -35.027 1.00 15.35 C ATOM 1018 O GLY A 70 -2.562 11.368 -35.785 1.00 51.12 O ATOM 0 H GLY A 70 0.766 12.259 -33.460 1.00 62.15 H new ATOM 0 HA2 GLY A 70 -0.090 11.871 -36.078 1.00 71.24 H new ATOM 0 HA3 GLY A 70 0.419 10.624 -34.956 1.00 71.24 H new ATOM 1022 N ASN A 71 -1.941 9.986 -34.123 1.00 42.12 N ATOM 1023 CA ASN A 71 -3.268 9.399 -33.968 1.00 11.02 C ATOM 1024 C ASN A 71 -3.619 9.231 -32.492 1.00 23.45 C ATOM 1025 O ASN A 71 -3.040 9.888 -31.628 1.00 22.40 O ATOM 1026 CB ASN A 71 -3.336 8.046 -34.678 1.00 45.23 C ATOM 1027 CG ASN A 71 -4.697 7.786 -35.296 1.00 21.20 C ATOM 1028 OD1 ASN A 71 -5.619 7.325 -34.623 1.00 40.34 O ATOM 1029 ND2 ASN A 71 -4.828 8.082 -36.584 1.00 4.22 N ATOM 0 H ASN A 71 -1.237 9.612 -33.487 1.00 42.12 H new ATOM 0 HA ASN A 71 -3.993 10.075 -34.421 1.00 11.02 H new ATOM 0 HB2 ASN A 71 -2.573 8.008 -35.456 1.00 45.23 H new ATOM 0 HB3 ASN A 71 -3.105 7.253 -33.966 1.00 45.23 H new ATOM 0 HD21 ASN A 71 -5.720 7.929 -37.054 1.00 4.22 H new ATOM 0 HD22 ASN A 71 -4.037 8.462 -37.103 1.00 4.22 H new ATOM 1035 N GLU A 72 -4.569 8.345 -32.214 1.00 71.54 N ATOM 1036 CA GLU A 72 -4.996 8.089 -30.843 1.00 74.22 C ATOM 1037 C GLU A 72 -3.797 8.029 -29.902 1.00 34.25 C ATOM 1038 O GLU A 72 -3.613 8.906 -29.058 1.00 24.41 O ATOM 1039 CB GLU A 72 -5.785 6.780 -30.766 1.00 11.33 C ATOM 1040 CG GLU A 72 -6.179 6.390 -29.352 1.00 74.32 C ATOM 1041 CD GLU A 72 -7.265 5.331 -29.320 1.00 51.34 C ATOM 1042 OE1 GLU A 72 -8.426 5.663 -29.639 1.00 23.41 O ATOM 1043 OE2 GLU A 72 -6.953 4.172 -28.976 1.00 31.24 O ATOM 0 H GLU A 72 -5.058 7.793 -32.919 1.00 71.54 H new ATOM 0 HA GLU A 72 -5.640 8.911 -30.531 1.00 74.22 H new ATOM 0 HB2 GLU A 72 -6.686 6.872 -31.373 1.00 11.33 H new ATOM 0 HB3 GLU A 72 -5.188 5.979 -31.202 1.00 11.33 H new ATOM 0 HG2 GLU A 72 -5.301 6.020 -28.823 1.00 74.32 H new ATOM 0 HG3 GLU A 72 -6.524 7.275 -28.818 1.00 74.32 H new ATOM 1048 N GLU A 73 -2.985 6.987 -30.053 1.00 14.14 N ATOM 1049 CA GLU A 73 -1.804 6.813 -29.215 1.00 23.41 C ATOM 1050 C GLU A 73 -0.671 7.728 -29.672 1.00 63.25 C ATOM 1051 O GLU A 73 -0.479 8.815 -29.129 1.00 12.33 O ATOM 1052 CB GLU A 73 -1.341 5.354 -29.247 1.00 11.25 C ATOM 1053 CG GLU A 73 -0.018 5.120 -28.537 1.00 13.51 C ATOM 1054 CD GLU A 73 -0.125 4.094 -27.426 1.00 44.12 C ATOM 1055 OE1 GLU A 73 -0.315 2.899 -27.738 1.00 45.52 O ATOM 1056 OE2 GLU A 73 -0.019 4.485 -26.245 1.00 24.13 O ATOM 0 H GLU A 73 -3.123 6.252 -30.747 1.00 14.14 H new ATOM 0 HA GLU A 73 -2.072 7.080 -28.193 1.00 23.41 H new ATOM 0 HB2 GLU A 73 -2.106 4.729 -28.787 1.00 11.25 H new ATOM 0 HB3 GLU A 73 -1.249 5.034 -30.285 1.00 11.25 H new ATOM 0 HG2 GLU A 73 0.725 4.789 -29.262 1.00 13.51 H new ATOM 0 HG3 GLU A 73 0.339 6.063 -28.123 1.00 13.51 H new ATOM 1127 N TYR A 78 6.235 6.837 -31.280 1.00 4.13 N ATOM 1128 CA TYR A 78 6.537 5.429 -31.047 1.00 33.13 C ATOM 1129 C TYR A 78 6.663 4.673 -32.366 1.00 54.43 C ATOM 1130 O TYR A 78 7.387 3.683 -32.461 1.00 71.34 O ATOM 1131 CB TYR A 78 5.452 4.789 -30.180 1.00 63.11 C ATOM 1132 CG TYR A 78 5.589 3.289 -30.047 1.00 13.33 C ATOM 1133 CD1 TYR A 78 6.744 2.721 -29.524 1.00 12.43 C ATOM 1134 CD2 TYR A 78 4.564 2.440 -30.445 1.00 35.24 C ATOM 1135 CE1 TYR A 78 6.875 1.352 -29.401 1.00 72.22 C ATOM 1136 CE2 TYR A 78 4.685 1.069 -30.323 1.00 65.03 C ATOM 1137 CZ TYR A 78 5.842 0.530 -29.803 1.00 75.42 C ATOM 1138 OH TYR A 78 5.968 -0.835 -29.680 1.00 51.42 O ATOM 0 HA TYR A 78 7.491 5.370 -30.524 1.00 33.13 H new ATOM 0 HB2 TYR A 78 5.481 5.237 -29.187 1.00 63.11 H new ATOM 0 HB3 TYR A 78 4.475 5.020 -30.606 1.00 63.11 H new ATOM 0 HD1 TYR A 78 7.554 3.362 -29.208 1.00 12.43 H new ATOM 0 HD2 TYR A 78 3.657 2.859 -30.857 1.00 35.24 H new ATOM 0 HE1 TYR A 78 7.780 0.927 -28.993 1.00 72.22 H new ATOM 0 HE2 TYR A 78 3.877 0.423 -30.634 1.00 65.03 H new ATOM 0 HH TYR A 78 5.153 -1.270 -30.007 1.00 51.42 H new ATOM 1147 N ASP A 79 5.951 5.149 -33.383 1.00 22.43 N ATOM 1148 CA ASP A 79 5.982 4.521 -34.698 1.00 32.43 C ATOM 1149 C ASP A 79 7.411 4.430 -35.224 1.00 34.24 C ATOM 1150 O ASP A 79 7.965 3.339 -35.363 1.00 25.23 O ATOM 1151 CB ASP A 79 5.113 5.305 -35.682 1.00 63.23 C ATOM 1152 CG ASP A 79 5.065 4.659 -37.054 1.00 54.13 C ATOM 1153 OD1 ASP A 79 6.088 4.709 -37.768 1.00 55.04 O ATOM 1154 OD2 ASP A 79 4.004 4.106 -37.412 1.00 41.50 O ATOM 0 H ASP A 79 5.346 5.968 -33.321 1.00 22.43 H new ATOM 0 HA ASP A 79 5.585 3.511 -34.600 1.00 32.43 H new ATOM 0 HB2 ASP A 79 4.101 5.384 -35.285 1.00 63.23 H new ATOM 0 HB3 ASP A 79 5.499 6.320 -35.775 1.00 63.23 H new ATOM 1158 N LEU A 80 8.004 5.584 -35.514 1.00 61.53 N ATOM 1159 CA LEU A 80 9.368 5.635 -36.026 1.00 14.55 C ATOM 1160 C LEU A 80 10.340 4.973 -35.053 1.00 12.02 C ATOM 1161 O LEU A 80 11.414 4.521 -35.447 1.00 10.11 O ATOM 1162 CB LEU A 80 9.787 7.086 -36.274 1.00 21.01 C ATOM 1163 CG LEU A 80 11.145 7.287 -36.946 1.00 41.43 C ATOM 1164 CD1 LEU A 80 10.983 8.020 -38.268 1.00 53.25 C ATOM 1165 CD2 LEU A 80 12.089 8.046 -36.024 1.00 1.50 C ATOM 0 H LEU A 80 7.561 6.496 -35.403 1.00 61.53 H new ATOM 0 HA LEU A 80 9.397 5.088 -36.969 1.00 14.55 H new ATOM 0 HB2 LEU A 80 9.025 7.563 -36.890 1.00 21.01 H new ATOM 0 HB3 LEU A 80 9.796 7.609 -35.318 1.00 21.01 H new ATOM 0 HG LEU A 80 11.578 6.307 -37.149 1.00 41.43 H new ATOM 0 HD11 LEU A 80 11.960 8.154 -38.732 1.00 53.25 H new ATOM 0 HD12 LEU A 80 10.343 7.437 -38.931 1.00 53.25 H new ATOM 0 HD13 LEU A 80 10.529 8.995 -38.090 1.00 53.25 H new ATOM 0 HD21 LEU A 80 13.051 8.180 -36.519 1.00 1.50 H new ATOM 0 HD22 LEU A 80 11.662 9.021 -35.789 1.00 1.50 H new ATOM 0 HD23 LEU A 80 12.230 7.481 -35.103 1.00 1.50 H new ATOM 1176 N GLN A 81 9.952 4.918 -33.783 1.00 4.42 N ATOM 1177 CA GLN A 81 10.788 4.311 -32.755 1.00 24.45 C ATOM 1178 C GLN A 81 11.228 2.910 -33.169 1.00 5.30 C ATOM 1179 O GLN A 81 12.418 2.649 -33.345 1.00 24.32 O ATOM 1180 CB GLN A 81 10.035 4.249 -31.426 1.00 21.40 C ATOM 1181 CG GLN A 81 10.893 4.608 -30.223 1.00 2.12 C ATOM 1182 CD GLN A 81 12.013 3.614 -29.988 1.00 74.10 C ATOM 1183 OE1 GLN A 81 11.821 2.587 -29.335 1.00 44.33 O ATOM 1184 NE2 GLN A 81 13.193 3.914 -30.519 1.00 72.31 N ATOM 0 H GLN A 81 9.064 5.286 -33.442 1.00 4.42 H new ATOM 0 HA GLN A 81 11.676 4.930 -32.632 1.00 24.45 H new ATOM 0 HB2 GLN A 81 9.183 4.927 -31.469 1.00 21.40 H new ATOM 0 HB3 GLN A 81 9.636 3.244 -31.290 1.00 21.40 H new ATOM 0 HG2 GLN A 81 11.318 5.601 -30.368 1.00 2.12 H new ATOM 0 HG3 GLN A 81 10.264 4.657 -29.334 1.00 2.12 H new ATOM 0 HE21 GLN A 81 13.308 4.776 -31.053 1.00 72.31 H new ATOM 0 HE22 GLN A 81 13.984 3.283 -30.393 1.00 72.31 H new ATOM 1191 N ARG A 82 10.260 2.012 -33.323 1.00 43.54 N ATOM 1192 CA ARG A 82 10.546 0.637 -33.715 1.00 11.34 C ATOM 1193 C ARG A 82 11.113 0.583 -35.131 1.00 2.40 C ATOM 1194 O ARG A 82 11.814 -0.363 -35.495 1.00 74.21 O ATOM 1195 CB ARG A 82 9.280 -0.215 -33.629 1.00 21.24 C ATOM 1196 CG ARG A 82 9.524 -1.615 -33.090 1.00 33.23 C ATOM 1197 CD ARG A 82 9.225 -1.699 -31.601 1.00 14.14 C ATOM 1198 NE ARG A 82 10.341 -2.269 -30.850 1.00 51.02 N ATOM 1199 CZ ARG A 82 10.633 -3.564 -30.839 1.00 32.23 C ATOM 1200 NH1 ARG A 82 9.898 -4.420 -31.535 1.00 0.13 N ATOM 1201 NH2 ARG A 82 11.665 -4.007 -30.130 1.00 41.44 N ATOM 0 H ARG A 82 9.270 2.212 -33.182 1.00 43.54 H new ATOM 0 HA ARG A 82 11.291 0.237 -33.027 1.00 11.34 H new ATOM 0 HB2 ARG A 82 8.555 0.290 -32.990 1.00 21.24 H new ATOM 0 HB3 ARG A 82 8.834 -0.289 -34.621 1.00 21.24 H new ATOM 0 HG2 ARG A 82 8.899 -2.327 -33.628 1.00 33.23 H new ATOM 0 HG3 ARG A 82 10.560 -1.900 -33.271 1.00 33.23 H new ATOM 0 HD2 ARG A 82 9.002 -0.703 -31.219 1.00 14.14 H new ATOM 0 HD3 ARG A 82 8.334 -2.307 -31.444 1.00 14.14 H new ATOM 0 HE ARG A 82 10.928 -1.638 -30.304 1.00 51.02 H new ATOM 0 HH11 ARG A 82 9.105 -4.084 -32.082 1.00 0.13 H new ATOM 0 HH12 ARG A 82 10.126 -5.414 -31.524 1.00 0.13 H new ATOM 0 HH21 ARG A 82 12.234 -3.352 -29.593 1.00 41.44 H new ATOM 0 HH22 ARG A 82 11.889 -5.002 -30.122 1.00 41.44 H new ATOM 1212 N CYS A 83 10.805 1.602 -35.926 1.00 55.11 N ATOM 1213 CA CYS A 83 11.283 1.670 -37.302 1.00 42.44 C ATOM 1214 C CYS A 83 12.795 1.855 -37.345 1.00 20.02 C ATOM 1215 O CYS A 83 13.518 1.014 -37.878 1.00 64.23 O ATOM 1216 CB CYS A 83 10.595 2.816 -38.046 1.00 12.15 C ATOM 1217 SG CYS A 83 8.813 2.599 -38.251 1.00 43.14 S ATOM 0 H CYS A 83 10.226 2.392 -35.641 1.00 55.11 H new ATOM 0 HA CYS A 83 11.038 0.728 -37.793 1.00 42.44 H new ATOM 0 HB2 CYS A 83 10.777 3.746 -37.507 1.00 12.15 H new ATOM 0 HB3 CYS A 83 11.053 2.923 -39.030 1.00 12.15 H new ATOM 0 HG CYS A 83 8.212 2.860 -37.128 1.00 43.14 H new ATOM 1222 N GLU A 84 13.268 2.961 -36.780 1.00 42.14 N ATOM 1223 CA GLU A 84 14.695 3.257 -36.756 1.00 0.14 C ATOM 1224 C GLU A 84 15.481 2.096 -36.154 1.00 31.22 C ATOM 1225 O GLU A 84 16.652 1.893 -36.474 1.00 21.15 O ATOM 1226 CB GLU A 84 14.961 4.535 -35.958 1.00 61.44 C ATOM 1227 CG GLU A 84 15.205 5.757 -36.827 1.00 45.34 C ATOM 1228 CD GLU A 84 15.375 7.026 -36.017 1.00 21.14 C ATOM 1229 OE1 GLU A 84 15.593 6.923 -34.791 1.00 51.01 O ATOM 1230 OE2 GLU A 84 15.292 8.123 -36.608 1.00 40.34 O ATOM 0 H GLU A 84 12.683 3.667 -36.333 1.00 42.14 H new ATOM 0 HA GLU A 84 15.026 3.404 -37.784 1.00 0.14 H new ATOM 0 HB2 GLU A 84 14.110 4.729 -35.305 1.00 61.44 H new ATOM 0 HB3 GLU A 84 15.827 4.378 -35.315 1.00 61.44 H new ATOM 0 HG2 GLU A 84 16.097 5.595 -37.432 1.00 45.34 H new ATOM 0 HG3 GLU A 84 14.370 5.880 -37.516 1.00 45.34 H new ATOM 1235 N ASP A 85 14.828 1.337 -35.281 1.00 35.41 N ATOM 1236 CA ASP A 85 15.465 0.196 -34.633 1.00 1.21 C ATOM 1237 C ASP A 85 15.418 -1.034 -35.533 1.00 21.13 C ATOM 1238 O ASP A 85 16.302 -1.890 -35.478 1.00 0.12 O ATOM 1239 CB ASP A 85 14.781 -0.107 -33.298 1.00 22.21 C ATOM 1240 CG ASP A 85 15.753 -0.620 -32.254 1.00 22.34 C ATOM 1241 OD1 ASP A 85 16.468 -1.604 -32.540 1.00 71.11 O ATOM 1242 OD2 ASP A 85 15.799 -0.038 -31.151 1.00 34.31 O ATOM 0 H ASP A 85 13.858 1.491 -35.006 1.00 35.41 H new ATOM 0 HA ASP A 85 16.509 0.450 -34.448 1.00 1.21 H new ATOM 0 HB2 ASP A 85 14.297 0.797 -32.927 1.00 22.21 H new ATOM 0 HB3 ASP A 85 13.996 -0.847 -33.455 1.00 22.21 H new ATOM 1246 N ASP A 86 14.382 -1.117 -36.360 1.00 31.15 N ATOM 1247 CA ASP A 86 14.220 -2.243 -37.273 1.00 22.04 C ATOM 1248 C ASP A 86 15.043 -2.038 -38.540 1.00 44.32 C ATOM 1249 O ASP A 86 15.386 -2.997 -39.234 1.00 74.02 O ATOM 1250 CB ASP A 86 12.746 -2.428 -37.632 1.00 61.54 C ATOM 1251 CG ASP A 86 12.553 -3.303 -38.855 1.00 63.14 C ATOM 1252 OD1 ASP A 86 12.605 -2.767 -39.982 1.00 12.04 O ATOM 1253 OD2 ASP A 86 12.350 -4.523 -38.685 1.00 63.45 O ATOM 0 H ASP A 86 13.641 -0.418 -36.417 1.00 31.15 H new ATOM 0 HA ASP A 86 14.579 -3.141 -36.770 1.00 22.04 H new ATOM 0 HB2 ASP A 86 12.222 -2.871 -36.785 1.00 61.54 H new ATOM 0 HB3 ASP A 86 12.294 -1.453 -37.812 1.00 61.54 H new ATOM 1257 N LEU A 87 15.356 -0.782 -38.840 1.00 34.43 N ATOM 1258 CA LEU A 87 16.138 -0.449 -40.025 1.00 2.25 C ATOM 1259 C LEU A 87 17.631 -0.617 -39.759 1.00 63.43 C ATOM 1260 O LEU A 87 18.394 -0.979 -40.654 1.00 22.21 O ATOM 1261 CB LEU A 87 15.846 0.985 -40.467 1.00 0.32 C ATOM 1262 CG LEU A 87 14.633 1.172 -41.379 1.00 54.24 C ATOM 1263 CD1 LEU A 87 14.030 2.556 -41.188 1.00 41.20 C ATOM 1264 CD2 LEU A 87 15.020 0.954 -42.835 1.00 60.23 C ATOM 0 H LEU A 87 15.080 0.023 -38.278 1.00 34.43 H new ATOM 0 HA LEU A 87 15.851 -1.134 -40.823 1.00 2.25 H new ATOM 0 HB2 LEU A 87 15.703 1.597 -39.576 1.00 0.32 H new ATOM 0 HB3 LEU A 87 16.726 1.372 -40.982 1.00 0.32 H new ATOM 0 HG LEU A 87 13.882 0.430 -41.109 1.00 54.24 H new ATOM 0 HD11 LEU A 87 13.168 2.671 -41.845 1.00 41.20 H new ATOM 0 HD12 LEU A 87 13.715 2.676 -40.151 1.00 41.20 H new ATOM 0 HD13 LEU A 87 14.775 3.314 -41.431 1.00 41.20 H new ATOM 0 HD21 LEU A 87 14.144 1.091 -43.469 1.00 60.23 H new ATOM 0 HD22 LEU A 87 15.789 1.672 -43.119 1.00 60.23 H new ATOM 0 HD23 LEU A 87 15.404 -0.058 -42.962 1.00 60.23 H new ATOM 1275 N ARG A 88 18.038 -0.354 -38.522 1.00 73.51 N ATOM 1276 CA ARG A 88 19.439 -0.477 -38.136 1.00 4.14 C ATOM 1277 C ARG A 88 19.954 -1.889 -38.402 1.00 1.51 C ATOM 1278 O ARG A 88 21.155 -2.101 -38.565 1.00 62.14 O ATOM 1279 CB ARG A 88 19.615 -0.129 -36.657 1.00 33.04 C ATOM 1280 CG ARG A 88 21.067 -0.108 -36.205 1.00 25.24 C ATOM 1281 CD ARG A 88 21.385 -1.289 -35.302 1.00 13.25 C ATOM 1282 NE ARG A 88 20.588 -1.273 -34.079 1.00 33.35 N ATOM 1283 CZ ARG A 88 20.537 -2.286 -33.221 1.00 24.32 C ATOM 1284 NH1 ARG A 88 21.234 -3.391 -33.453 1.00 15.14 N ATOM 1285 NH2 ARG A 88 19.789 -2.196 -32.130 1.00 62.52 N ATOM 0 H ARG A 88 17.418 -0.054 -37.770 1.00 73.51 H new ATOM 0 HA ARG A 88 20.019 0.223 -38.738 1.00 4.14 H new ATOM 0 HB2 ARG A 88 19.170 0.848 -36.467 1.00 33.04 H new ATOM 0 HB3 ARG A 88 19.066 -0.852 -36.054 1.00 33.04 H new ATOM 0 HG2 ARG A 88 21.721 -0.128 -37.077 1.00 25.24 H new ATOM 0 HG3 ARG A 88 21.271 0.822 -35.675 1.00 25.24 H new ATOM 0 HD2 ARG A 88 21.202 -2.218 -35.842 1.00 13.25 H new ATOM 0 HD3 ARG A 88 22.444 -1.274 -35.045 1.00 13.25 H new ATOM 0 HE ARG A 88 20.040 -0.438 -33.872 1.00 33.35 H new ATOM 0 HH11 ARG A 88 21.810 -3.464 -34.291 1.00 15.14 H new ATOM 0 HH12 ARG A 88 21.193 -4.168 -32.793 1.00 15.14 H new ATOM 0 HH21 ARG A 88 19.252 -1.348 -31.949 1.00 62.52 H new ATOM 0 HH22 ARG A 88 19.751 -2.975 -31.472 1.00 62.52 H new ATOM 1359 N ASP A 94 22.964 4.989 -42.956 1.00 35.23 N ATOM 1360 CA ASP A 94 23.488 6.274 -42.505 1.00 1.42 C ATOM 1361 C ASP A 94 24.394 6.892 -43.565 1.00 53.32 C ATOM 1362 O ASP A 94 24.015 7.853 -44.236 1.00 21.11 O ATOM 1363 CB ASP A 94 24.258 6.102 -41.195 1.00 14.54 C ATOM 1364 CG ASP A 94 24.379 7.400 -40.421 1.00 73.35 C ATOM 1365 OD1 ASP A 94 23.997 8.456 -40.969 1.00 32.22 O ATOM 1366 OD2 ASP A 94 24.854 7.361 -39.266 1.00 44.51 O ATOM 0 HA ASP A 94 22.645 6.945 -42.337 1.00 1.42 H new ATOM 0 HB2 ASP A 94 23.755 5.359 -40.576 1.00 14.54 H new ATOM 0 HB3 ASP A 94 25.254 5.716 -41.410 1.00 14.54 H new ATOM 1370 N ALA A 95 25.593 6.337 -43.710 1.00 63.44 N ATOM 1371 CA ALA A 95 26.552 6.834 -44.690 1.00 34.31 C ATOM 1372 C ALA A 95 27.921 6.194 -44.488 1.00 43.30 C ATOM 1373 O ALA A 95 28.102 5.356 -43.605 1.00 42.30 O ATOM 1374 CB ALA A 95 26.657 8.349 -44.602 1.00 45.00 C ATOM 0 H ALA A 95 25.924 5.543 -43.161 1.00 63.44 H new ATOM 0 HA ALA A 95 26.195 6.563 -45.684 1.00 34.31 H new ATOM 0 HB1 ALA A 95 27.376 8.707 -45.339 1.00 45.00 H new ATOM 0 HB2 ALA A 95 25.682 8.793 -44.801 1.00 45.00 H new ATOM 0 HB3 ALA A 95 26.989 8.633 -43.603 1.00 45.00 H new ATOM 1380 N GLN A 96 28.882 6.594 -45.315 1.00 0.24 N ATOM 1381 CA GLN A 96 30.236 6.057 -45.228 1.00 43.52 C ATOM 1382 C GLN A 96 31.156 7.019 -44.483 1.00 62.03 C ATOM 1383 O GLN A 96 30.773 8.147 -44.176 1.00 52.22 O ATOM 1384 CB GLN A 96 30.790 5.785 -46.628 1.00 65.25 C ATOM 1385 CG GLN A 96 30.931 7.036 -47.481 1.00 24.35 C ATOM 1386 CD GLN A 96 29.859 7.141 -48.547 1.00 74.44 C ATOM 1387 OE1 GLN A 96 28.965 7.984 -48.463 1.00 23.14 O ATOM 1388 NE2 GLN A 96 29.942 6.284 -49.557 1.00 2.11 N ATOM 0 H GLN A 96 28.749 7.287 -46.052 1.00 0.24 H new ATOM 0 HA GLN A 96 30.193 5.120 -44.673 1.00 43.52 H new ATOM 0 HB2 GLN A 96 31.765 5.306 -46.537 1.00 65.25 H new ATOM 0 HB3 GLN A 96 30.134 5.079 -47.138 1.00 65.25 H new ATOM 0 HG2 GLN A 96 30.886 7.916 -46.839 1.00 24.35 H new ATOM 0 HG3 GLN A 96 31.912 7.038 -47.956 1.00 24.35 H new ATOM 0 HE21 GLN A 96 30.700 5.602 -49.586 1.00 2.11 H new ATOM 0 HE22 GLN A 96 29.248 6.307 -50.304 1.00 2.11 H new ATOM 1395 N VAL A 97 32.371 6.563 -44.195 1.00 1.40 N ATOM 1396 CA VAL A 97 33.346 7.384 -43.487 1.00 22.44 C ATOM 1397 C VAL A 97 34.725 7.275 -44.128 1.00 21.21 C ATOM 1398 O VAL A 97 35.176 6.183 -44.474 1.00 41.32 O ATOM 1399 CB VAL A 97 33.448 6.979 -42.004 1.00 22.15 C ATOM 1400 CG1 VAL A 97 34.150 5.635 -41.865 1.00 54.45 C ATOM 1401 CG2 VAL A 97 34.174 8.052 -41.208 1.00 12.52 C ATOM 0 H VAL A 97 32.703 5.630 -44.441 1.00 1.40 H new ATOM 0 HA VAL A 97 32.999 8.415 -43.552 1.00 22.44 H new ATOM 0 HB VAL A 97 32.440 6.880 -41.602 1.00 22.15 H new ATOM 0 HG11 VAL A 97 34.213 5.365 -40.811 1.00 54.45 H new ATOM 0 HG12 VAL A 97 33.586 4.873 -42.402 1.00 54.45 H new ATOM 0 HG13 VAL A 97 35.154 5.704 -42.283 1.00 54.45 H new ATOM 0 HG21 VAL A 97 34.237 7.750 -40.163 1.00 12.52 H new ATOM 0 HG22 VAL A 97 35.179 8.185 -41.609 1.00 12.52 H new ATOM 0 HG23 VAL A 97 33.627 8.992 -41.281 1.00 12.52 H new ATOM 1411 N TYR A 98 35.390 8.415 -44.283 1.00 23.21 N ATOM 1412 CA TYR A 98 36.718 8.448 -44.885 1.00 10.35 C ATOM 1413 C TYR A 98 37.802 8.480 -43.812 1.00 53.12 C ATOM 1414 O TYR A 98 37.817 9.364 -42.955 1.00 31.12 O ATOM 1415 CB TYR A 98 36.855 9.666 -45.800 1.00 41.42 C ATOM 1416 CG TYR A 98 36.484 9.386 -47.239 1.00 3.52 C ATOM 1417 CD1 TYR A 98 35.252 8.832 -47.565 1.00 41.00 C ATOM 1418 CD2 TYR A 98 37.366 9.676 -48.274 1.00 35.31 C ATOM 1419 CE1 TYR A 98 34.909 8.574 -48.878 1.00 1.12 C ATOM 1420 CE2 TYR A 98 37.030 9.423 -49.590 1.00 13.14 C ATOM 1421 CZ TYR A 98 35.802 8.872 -49.887 1.00 41.41 C ATOM 1422 OH TYR A 98 35.465 8.617 -51.197 1.00 62.31 O ATOM 0 H TYR A 98 35.032 9.327 -44.000 1.00 23.21 H new ATOM 0 HA TYR A 98 36.844 7.541 -45.476 1.00 10.35 H new ATOM 0 HB2 TYR A 98 36.223 10.469 -45.420 1.00 41.42 H new ATOM 0 HB3 TYR A 98 37.883 10.025 -45.762 1.00 41.42 H new ATOM 0 HD1 TYR A 98 34.550 8.599 -46.778 1.00 41.00 H new ATOM 0 HD2 TYR A 98 38.330 10.106 -48.045 1.00 35.31 H new ATOM 0 HE1 TYR A 98 33.948 8.142 -49.113 1.00 1.12 H new ATOM 0 HE2 TYR A 98 37.726 9.656 -50.382 1.00 13.14 H new ATOM 0 HH TYR A 98 36.203 8.885 -51.783 1.00 62.31 H new ATOM 1431 N LEU A 99 38.708 7.510 -43.867 1.00 62.11 N ATOM 1432 CA LEU A 99 39.798 7.425 -42.901 1.00 55.14 C ATOM 1433 C LEU A 99 40.646 8.694 -42.924 1.00 64.43 C ATOM 1434 O LEU A 99 41.358 8.991 -41.967 1.00 34.32 O ATOM 1435 CB LEU A 99 40.674 6.207 -43.196 1.00 31.53 C ATOM 1436 CG LEU A 99 40.792 5.177 -42.072 1.00 0.11 C ATOM 1437 CD1 LEU A 99 39.414 4.739 -41.602 1.00 50.10 C ATOM 1438 CD2 LEU A 99 41.607 3.977 -42.532 1.00 2.23 C ATOM 0 H LEU A 99 38.710 6.771 -44.570 1.00 62.11 H new ATOM 0 HA LEU A 99 39.363 7.319 -41.907 1.00 55.14 H new ATOM 0 HB2 LEU A 99 40.280 5.707 -44.080 1.00 31.53 H new ATOM 0 HB3 LEU A 99 41.675 6.557 -43.448 1.00 31.53 H new ATOM 0 HG LEU A 99 41.309 5.642 -41.232 1.00 0.11 H new ATOM 0 HD11 LEU A 99 39.518 4.006 -40.802 1.00 50.10 H new ATOM 0 HD12 LEU A 99 38.864 5.604 -41.232 1.00 50.10 H new ATOM 0 HD13 LEU A 99 38.871 4.292 -42.435 1.00 50.10 H new ATOM 0 HD21 LEU A 99 41.681 3.254 -41.719 1.00 2.23 H new ATOM 0 HD22 LEU A 99 41.118 3.512 -43.388 1.00 2.23 H new ATOM 0 HD23 LEU A 99 42.607 4.304 -42.818 1.00 2.23 H new ATOM 1449 N GLU A 100 40.560 9.436 -44.022 1.00 45.41 N ATOM 1450 CA GLU A 100 41.319 10.672 -44.169 1.00 55.42 C ATOM 1451 C GLU A 100 40.695 11.795 -43.343 1.00 31.21 C ATOM 1452 O GLU A 100 41.313 12.836 -43.126 1.00 32.34 O ATOM 1453 CB GLU A 100 41.386 11.085 -45.641 1.00 75.24 C ATOM 1454 CG GLU A 100 42.116 10.085 -46.521 1.00 62.33 C ATOM 1455 CD GLU A 100 41.905 10.345 -48.000 1.00 71.35 C ATOM 1456 OE1 GLU A 100 40.884 9.874 -48.544 1.00 54.41 O ATOM 1457 OE2 GLU A 100 42.760 11.018 -48.612 1.00 40.02 O ATOM 0 H GLU A 100 39.973 9.203 -44.823 1.00 45.41 H new ATOM 0 HA GLU A 100 42.330 10.492 -43.803 1.00 55.42 H new ATOM 0 HB2 GLU A 100 40.372 11.217 -46.019 1.00 75.24 H new ATOM 0 HB3 GLU A 100 41.882 12.052 -45.716 1.00 75.24 H new ATOM 0 HG2 GLU A 100 43.182 10.121 -46.298 1.00 62.33 H new ATOM 0 HG3 GLU A 100 41.774 9.078 -46.281 1.00 62.33 H new ATOM 1462 N GLU A 101 39.466 11.573 -42.887 1.00 34.42 N ATOM 1463 CA GLU A 101 38.759 12.565 -42.086 1.00 74.32 C ATOM 1464 C GLU A 101 38.623 12.100 -40.639 1.00 75.32 C ATOM 1465 O GLU A 101 38.055 12.801 -39.802 1.00 35.50 O ATOM 1466 CB GLU A 101 37.374 12.837 -42.678 1.00 52.31 C ATOM 1467 CG GLU A 101 37.417 13.457 -44.064 1.00 75.04 C ATOM 1468 CD GLU A 101 36.050 13.905 -44.545 1.00 24.40 C ATOM 1469 OE1 GLU A 101 35.170 14.145 -43.692 1.00 51.33 O ATOM 1470 OE2 GLU A 101 35.860 14.014 -45.774 1.00 13.32 O ATOM 0 H GLU A 101 38.940 10.716 -43.058 1.00 34.42 H new ATOM 0 HA GLU A 101 39.340 13.487 -42.100 1.00 74.32 H new ATOM 0 HB2 GLU A 101 36.818 11.901 -42.725 1.00 52.31 H new ATOM 0 HB3 GLU A 101 36.826 13.500 -42.009 1.00 52.31 H new ATOM 0 HG2 GLU A 101 38.093 14.312 -44.055 1.00 75.04 H new ATOM 0 HG3 GLU A 101 37.827 12.734 -44.769 1.00 75.04 H new ATOM 1475 N MET A 102 39.149 10.913 -40.352 1.00 41.33 N ATOM 1476 CA MET A 102 39.086 10.355 -39.007 1.00 1.33 C ATOM 1477 C MET A 102 40.460 9.867 -38.557 1.00 54.32 C ATOM 1478 O MET A 102 41.127 9.117 -39.269 1.00 42.41 O ATOM 1479 CB MET A 102 38.081 9.202 -38.956 1.00 15.43 C ATOM 1480 CG MET A 102 36.718 9.559 -39.525 1.00 12.35 C ATOM 1481 SD MET A 102 35.821 10.735 -38.494 1.00 31.12 S ATOM 1482 CE MET A 102 34.755 11.508 -39.709 1.00 23.33 C ATOM 0 H MET A 102 39.623 10.320 -41.033 1.00 41.33 H new ATOM 0 HA MET A 102 38.759 11.143 -38.329 1.00 1.33 H new ATOM 0 HB2 MET A 102 38.485 8.354 -39.508 1.00 15.43 H new ATOM 0 HB3 MET A 102 37.961 8.881 -37.921 1.00 15.43 H new ATOM 0 HG2 MET A 102 36.844 9.979 -40.523 1.00 12.35 H new ATOM 0 HG3 MET A 102 36.125 8.651 -39.634 1.00 12.35 H new ATOM 0 HE1 MET A 102 35.110 12.518 -39.915 1.00 23.33 H new ATOM 0 HE2 MET A 102 34.768 10.924 -40.629 1.00 23.33 H new ATOM 0 HE3 MET A 102 33.737 11.554 -39.323 1.00 23.33 H new ATOM 1490 N SER A 103 40.877 10.300 -37.371 1.00 0.12 N ATOM 1491 CA SER A 103 42.174 9.911 -36.828 1.00 73.22 C ATOM 1492 C SER A 103 42.372 8.401 -36.923 1.00 71.25 C ATOM 1493 O SER A 103 41.531 7.624 -36.469 1.00 53.01 O ATOM 1494 CB SER A 103 42.296 10.362 -35.372 1.00 32.44 C ATOM 1495 OG SER A 103 42.524 11.757 -35.287 1.00 13.41 O ATOM 0 H SER A 103 40.336 10.920 -36.768 1.00 0.12 H new ATOM 0 HA SER A 103 42.949 10.399 -37.419 1.00 73.22 H new ATOM 0 HB2 SER A 103 41.385 10.106 -34.831 1.00 32.44 H new ATOM 0 HB3 SER A 103 43.114 9.827 -34.890 1.00 32.44 H new ATOM 0 HG SER A 103 42.596 12.020 -34.346 1.00 13.41 H new ATOM 1500 N TRP A 104 43.487 7.993 -37.516 1.00 45.21 N ATOM 1501 CA TRP A 104 43.796 6.576 -37.672 1.00 54.23 C ATOM 1502 C TRP A 104 45.272 6.308 -37.402 1.00 44.41 C ATOM 1503 O TRP A 104 46.140 7.052 -37.858 1.00 33.52 O ATOM 1504 CB TRP A 104 43.428 6.104 -39.080 1.00 40.44 C ATOM 1505 CG TRP A 104 44.448 6.471 -40.115 1.00 22.43 C ATOM 1506 CD1 TRP A 104 45.308 5.623 -40.754 1.00 0.32 C ATOM 1507 CD2 TRP A 104 44.716 7.780 -40.628 1.00 0.21 C ATOM 1508 NE1 TRP A 104 46.095 6.327 -41.634 1.00 54.13 N ATOM 1509 CE2 TRP A 104 45.750 7.652 -41.576 1.00 14.33 C ATOM 1510 CE3 TRP A 104 44.182 9.047 -40.382 1.00 32.21 C ATOM 1511 CZ2 TRP A 104 46.259 8.744 -42.274 1.00 70.30 C ATOM 1512 CZ3 TRP A 104 44.689 10.130 -41.075 1.00 54.24 C ATOM 1513 CH2 TRP A 104 45.718 9.973 -42.012 1.00 52.32 C ATOM 0 H TRP A 104 44.193 8.623 -37.897 1.00 45.21 H new ATOM 0 HA TRP A 104 43.206 6.019 -36.944 1.00 54.23 H new ATOM 0 HB2 TRP A 104 43.303 5.021 -39.071 1.00 40.44 H new ATOM 0 HB3 TRP A 104 42.466 6.534 -39.360 1.00 40.44 H new ATOM 0 HD1 TRP A 104 45.362 4.557 -40.592 1.00 0.32 H new ATOM 0 HE1 TRP A 104 46.818 5.928 -42.233 1.00 54.13 H new ATOM 0 HE3 TRP A 104 43.387 9.178 -39.663 1.00 32.21 H new ATOM 0 HZ2 TRP A 104 47.053 8.625 -42.997 1.00 70.30 H new ATOM 0 HZ3 TRP A 104 44.285 11.114 -40.891 1.00 54.24 H new ATOM 0 HH2 TRP A 104 46.092 10.839 -42.538 1.00 52.32 H new ATOM 1523 N ASN A 105 45.550 5.242 -36.660 1.00 64.23 N ATOM 1524 CA ASN A 105 46.923 4.876 -36.331 1.00 71.41 C ATOM 1525 C ASN A 105 47.347 3.620 -37.085 1.00 35.33 C ATOM 1526 O ASN A 105 46.924 2.513 -36.754 1.00 53.13 O ATOM 1527 CB ASN A 105 47.065 4.653 -34.824 1.00 73.55 C ATOM 1528 CG ASN A 105 48.149 5.518 -34.209 1.00 4.51 C ATOM 1529 OD1 ASN A 105 49.320 5.418 -34.576 1.00 3.12 O ATOM 1530 ND2 ASN A 105 47.762 6.373 -33.271 1.00 13.32 N ATOM 0 H ASN A 105 44.843 4.616 -36.275 1.00 64.23 H new ATOM 0 HA ASN A 105 47.574 5.696 -36.633 1.00 71.41 H new ATOM 0 HB2 ASN A 105 46.114 4.867 -34.337 1.00 73.55 H new ATOM 0 HB3 ASN A 105 47.291 3.604 -34.635 1.00 73.55 H new ATOM 0 HD21 ASN A 105 48.446 6.982 -32.822 1.00 13.32 H new ATOM 0 HD22 ASN A 105 46.780 6.421 -32.999 1.00 13.32 H new ATOM 1536 N GLU A 106 48.188 3.800 -38.098 1.00 13.30 N ATOM 1537 CA GLU A 106 48.670 2.681 -38.898 1.00 2.40 C ATOM 1538 C GLU A 106 49.633 1.811 -38.094 1.00 42.13 C ATOM 1539 O GLU A 106 49.683 0.595 -38.271 1.00 5.15 O ATOM 1540 CB GLU A 106 49.362 3.190 -40.164 1.00 53.12 C ATOM 1541 CG GLU A 106 48.710 2.710 -41.450 1.00 34.31 C ATOM 1542 CD GLU A 106 48.755 1.201 -41.598 1.00 40.44 C ATOM 1543 OE1 GLU A 106 47.857 0.525 -41.056 1.00 30.54 O ATOM 1544 OE2 GLU A 106 49.688 0.699 -42.259 1.00 61.01 O ATOM 0 H GLU A 106 48.550 4.710 -38.384 1.00 13.30 H new ATOM 0 HA GLU A 106 47.810 2.074 -39.182 1.00 2.40 H new ATOM 0 HB2 GLU A 106 49.365 4.280 -40.153 1.00 53.12 H new ATOM 0 HB3 GLU A 106 50.403 2.868 -40.153 1.00 53.12 H new ATOM 0 HG2 GLU A 106 47.672 3.043 -41.473 1.00 34.31 H new ATOM 0 HG3 GLU A 106 49.212 3.170 -42.301 1.00 34.31 H new ATOM 1549 N GLY A 107 50.396 2.446 -37.209 1.00 43.44 N ATOM 1550 CA GLY A 107 51.348 1.716 -36.391 1.00 43.24 C ATOM 1551 C GLY A 107 50.720 1.163 -35.128 1.00 35.44 C ATOM 1552 O GLY A 107 51.024 0.044 -34.714 1.00 4.12 O ATOM 0 H GLY A 107 50.372 3.452 -37.044 1.00 43.44 H new ATOM 0 HA2 GLY A 107 51.769 0.896 -36.973 1.00 43.24 H new ATOM 0 HA3 GLY A 107 52.174 2.375 -36.124 1.00 43.24 H new ATOM 1556 N ASP A 108 49.845 1.949 -34.510 1.00 22.22 N ATOM 1557 CA ASP A 108 49.174 1.531 -33.285 1.00 54.11 C ATOM 1558 C ASP A 108 48.070 0.523 -33.586 1.00 33.54 C ATOM 1559 O ASP A 108 47.507 -0.088 -32.677 1.00 1.04 O ATOM 1560 CB ASP A 108 48.591 2.745 -32.559 1.00 63.44 C ATOM 1561 CG ASP A 108 48.716 2.633 -31.052 1.00 14.13 C ATOM 1562 OD1 ASP A 108 49.856 2.498 -30.561 1.00 14.11 O ATOM 1563 OD2 ASP A 108 47.675 2.680 -30.364 1.00 21.14 O ATOM 0 H ASP A 108 49.584 2.879 -34.837 1.00 22.22 H new ATOM 0 HA ASP A 108 49.911 1.052 -32.641 1.00 54.11 H new ATOM 0 HB2 ASP A 108 49.102 3.647 -32.897 1.00 63.44 H new ATOM 0 HB3 ASP A 108 47.540 2.855 -32.826 1.00 63.44 H new ATOM 1567 N HIS A 109 47.764 0.354 -34.868 1.00 60.02 N ATOM 1568 CA HIS A 109 46.725 -0.579 -35.290 1.00 32.42 C ATOM 1569 C HIS A 109 45.383 -0.220 -34.659 1.00 4.12 C ATOM 1570 O HIS A 109 44.623 -1.098 -34.251 1.00 32.24 O ATOM 1571 CB HIS A 109 47.112 -2.010 -34.913 1.00 35.53 C ATOM 1572 CG HIS A 109 48.318 -2.516 -35.642 1.00 21.15 C ATOM 1573 ND1 HIS A 109 49.268 -3.326 -35.056 1.00 35.25 N ATOM 1574 CD2 HIS A 109 48.726 -2.325 -36.918 1.00 0.52 C ATOM 1575 CE1 HIS A 109 50.208 -3.609 -35.940 1.00 33.54 C ATOM 1576 NE2 HIS A 109 49.903 -3.014 -37.079 1.00 34.23 N ATOM 0 H HIS A 109 48.221 0.851 -35.633 1.00 60.02 H new ATOM 0 HA HIS A 109 46.627 -0.510 -36.373 1.00 32.42 H new ATOM 0 HB2 HIS A 109 47.300 -2.056 -33.840 1.00 35.53 H new ATOM 0 HB3 HIS A 109 46.270 -2.671 -35.118 1.00 35.53 H new ATOM 0 HD2 HIS A 109 48.220 -1.739 -37.671 1.00 0.52 H new ATOM 0 HE1 HIS A 109 51.078 -4.223 -35.762 1.00 33.54 H new ATOM 0 HE2 HIS A 109 50.452 -3.059 -37.938 1.00 34.23 H new ATOM 1583 N SER A 110 45.097 1.076 -34.585 1.00 24.22 N ATOM 1584 CA SER A 110 43.849 1.551 -34.000 1.00 41.01 C ATOM 1585 C SER A 110 43.381 2.831 -34.686 1.00 43.22 C ATOM 1586 O SER A 110 44.144 3.786 -34.833 1.00 61.23 O ATOM 1587 CB SER A 110 44.024 1.798 -32.501 1.00 2.24 C ATOM 1588 OG SER A 110 45.090 2.699 -32.254 1.00 73.35 O ATOM 0 H SER A 110 45.713 1.816 -34.923 1.00 24.22 H new ATOM 0 HA SER A 110 43.092 0.781 -34.148 1.00 41.01 H new ATOM 0 HB2 SER A 110 43.100 2.200 -32.085 1.00 2.24 H new ATOM 0 HB3 SER A 110 44.217 0.853 -31.994 1.00 2.24 H new ATOM 0 HG SER A 110 45.051 3.436 -32.899 1.00 73.35 H new ATOM 1593 N PHE A 111 42.119 2.842 -35.106 1.00 14.12 N ATOM 1594 CA PHE A 111 41.548 4.003 -35.778 1.00 41.11 C ATOM 1595 C PHE A 111 40.202 4.379 -35.164 1.00 42.32 C ATOM 1596 O PHE A 111 39.355 3.518 -34.926 1.00 33.10 O ATOM 1597 CB PHE A 111 41.380 3.723 -37.272 1.00 62.53 C ATOM 1598 CG PHE A 111 42.202 2.566 -37.761 1.00 23.45 C ATOM 1599 CD1 PHE A 111 43.565 2.705 -37.968 1.00 11.25 C ATOM 1600 CD2 PHE A 111 41.612 1.337 -38.015 1.00 11.32 C ATOM 1601 CE1 PHE A 111 44.325 1.641 -38.417 1.00 34.20 C ATOM 1602 CE2 PHE A 111 42.368 0.271 -38.464 1.00 22.41 C ATOM 1603 CZ PHE A 111 43.726 0.423 -38.667 1.00 62.13 C ATOM 0 H PHE A 111 41.474 2.060 -34.993 1.00 14.12 H new ATOM 0 HA PHE A 111 42.233 4.841 -35.648 1.00 41.11 H new ATOM 0 HB2 PHE A 111 40.329 3.525 -37.480 1.00 62.53 H new ATOM 0 HB3 PHE A 111 41.654 4.616 -37.834 1.00 62.53 H new ATOM 0 HD1 PHE A 111 44.039 3.656 -37.776 1.00 11.25 H new ATOM 0 HD2 PHE A 111 40.551 1.212 -37.860 1.00 11.32 H new ATOM 0 HE1 PHE A 111 45.387 1.763 -38.572 1.00 34.20 H new ATOM 0 HE2 PHE A 111 41.897 -0.682 -38.656 1.00 22.41 H new ATOM 0 HZ PHE A 111 44.317 -0.409 -39.020 1.00 62.13 H new ATOM 1612 N TYR A 112 40.013 5.669 -34.912 1.00 35.02 N ATOM 1613 CA TYR A 112 38.773 6.159 -34.324 1.00 73.31 C ATOM 1614 C TYR A 112 38.065 7.124 -35.270 1.00 44.42 C ATOM 1615 O TYR A 112 38.698 7.766 -36.110 1.00 24.23 O ATOM 1616 CB TYR A 112 39.054 6.851 -32.989 1.00 31.13 C ATOM 1617 CG TYR A 112 40.525 7.093 -32.732 1.00 60.02 C ATOM 1618 CD1 TYR A 112 41.339 6.084 -32.235 1.00 64.34 C ATOM 1619 CD2 TYR A 112 41.099 8.333 -32.986 1.00 31.10 C ATOM 1620 CE1 TYR A 112 42.682 6.300 -31.997 1.00 13.43 C ATOM 1621 CE2 TYR A 112 42.442 8.559 -32.753 1.00 22.40 C ATOM 1622 CZ TYR A 112 43.230 7.540 -32.259 1.00 75.53 C ATOM 1623 OH TYR A 112 44.568 7.760 -32.025 1.00 53.03 O ATOM 0 H TYR A 112 40.703 6.394 -35.106 1.00 35.02 H new ATOM 0 HA TYR A 112 38.121 5.303 -34.151 1.00 73.31 H new ATOM 0 HB2 TYR A 112 38.528 7.805 -32.966 1.00 31.13 H new ATOM 0 HB3 TYR A 112 38.647 6.243 -32.181 1.00 31.13 H new ATOM 0 HD1 TYR A 112 40.914 5.112 -32.031 1.00 64.34 H new ATOM 0 HD2 TYR A 112 40.485 9.133 -33.372 1.00 31.10 H new ATOM 0 HE1 TYR A 112 43.300 5.504 -31.608 1.00 13.43 H new ATOM 0 HE2 TYR A 112 42.873 9.528 -32.957 1.00 22.40 H new ATOM 0 HH TYR A 112 44.794 8.684 -32.262 1.00 53.03 H new ATOM 1632 N LEU A 113 36.748 7.222 -35.128 1.00 45.01 N ATOM 1633 CA LEU A 113 35.952 8.109 -35.970 1.00 74.34 C ATOM 1634 C LEU A 113 34.745 8.645 -35.206 1.00 51.21 C ATOM 1635 O LEU A 113 33.844 7.890 -34.839 1.00 41.24 O ATOM 1636 CB LEU A 113 35.487 7.371 -37.226 1.00 4.21 C ATOM 1637 CG LEU A 113 36.500 6.415 -37.856 1.00 24.24 C ATOM 1638 CD1 LEU A 113 36.561 5.111 -37.076 1.00 34.40 C ATOM 1639 CD2 LEU A 113 36.149 6.150 -39.313 1.00 31.11 C ATOM 0 H LEU A 113 36.209 6.699 -34.438 1.00 45.01 H new ATOM 0 HA LEU A 113 36.579 8.952 -36.262 1.00 74.34 H new ATOM 0 HB2 LEU A 113 34.589 6.805 -36.979 1.00 4.21 H new ATOM 0 HB3 LEU A 113 35.202 8.111 -37.974 1.00 4.21 H new ATOM 0 HG LEU A 113 37.484 6.883 -37.819 1.00 24.24 H new ATOM 0 HD11 LEU A 113 37.287 4.443 -37.540 1.00 34.40 H new ATOM 0 HD12 LEU A 113 36.860 5.316 -36.048 1.00 34.40 H new ATOM 0 HD13 LEU A 113 35.579 4.638 -37.081 1.00 34.40 H new ATOM 0 HD21 LEU A 113 36.881 5.468 -39.745 1.00 31.11 H new ATOM 0 HD22 LEU A 113 35.157 5.703 -39.373 1.00 31.11 H new ATOM 0 HD23 LEU A 113 36.158 7.089 -39.866 1.00 31.11 H new ATOM 1650 N SER A 114 34.733 9.953 -34.971 1.00 2.21 N ATOM 1651 CA SER A 114 33.637 10.591 -34.250 1.00 31.43 C ATOM 1652 C SER A 114 32.470 10.887 -35.187 1.00 32.44 C ATOM 1653 O SER A 114 32.666 11.284 -36.336 1.00 52.12 O ATOM 1654 CB SER A 114 34.118 11.885 -33.591 1.00 54.22 C ATOM 1655 OG SER A 114 33.723 13.018 -34.344 1.00 43.50 O ATOM 0 H SER A 114 35.470 10.592 -35.269 1.00 2.21 H new ATOM 0 HA SER A 114 33.294 9.904 -33.477 1.00 31.43 H new ATOM 0 HB2 SER A 114 33.712 11.956 -32.582 1.00 54.22 H new ATOM 0 HB3 SER A 114 35.204 11.867 -33.497 1.00 54.22 H new ATOM 0 HG SER A 114 34.041 13.832 -33.901 1.00 43.50 H new ATOM 1660 N CYS A 115 31.254 10.690 -34.687 1.00 32.05 N ATOM 1661 CA CYS A 115 30.053 10.934 -35.476 1.00 14.41 C ATOM 1662 C CYS A 115 29.648 12.404 -35.409 1.00 33.10 C ATOM 1663 O CYS A 115 30.070 13.134 -34.512 1.00 11.34 O ATOM 1664 CB CYS A 115 28.905 10.054 -34.982 1.00 63.31 C ATOM 1665 SG CYS A 115 27.592 9.781 -36.216 1.00 4.04 S ATOM 0 H CYS A 115 31.075 10.362 -33.738 1.00 32.05 H new ATOM 0 HA CYS A 115 30.273 10.683 -36.514 1.00 14.41 H new ATOM 0 HB2 CYS A 115 29.307 9.088 -34.676 1.00 63.31 H new ATOM 0 HB3 CYS A 115 28.466 10.512 -34.096 1.00 63.31 H new ATOM 0 HG CYS A 115 26.441 10.102 -35.703 1.00 4.04 H new ATOM 1669 N ARG A 116 28.825 12.829 -36.361 1.00 2.42 N ATOM 1670 CA ARG A 116 28.363 14.211 -36.411 1.00 72.31 C ATOM 1671 C ARG A 116 27.019 14.360 -35.704 1.00 35.34 C ATOM 1672 O ARG A 116 26.140 15.088 -36.165 1.00 71.12 O ATOM 1673 CB ARG A 116 28.242 14.680 -37.862 1.00 63.10 C ATOM 1674 CG ARG A 116 28.327 16.188 -38.025 1.00 10.05 C ATOM 1675 CD ARG A 116 28.614 16.578 -39.467 1.00 31.25 C ATOM 1676 NE ARG A 116 30.020 16.916 -39.672 1.00 51.50 N ATOM 1677 CZ ARG A 116 30.573 18.049 -39.251 1.00 42.13 C ATOM 1678 NH1 ARG A 116 29.842 18.946 -38.604 1.00 14.15 N ATOM 1679 NH2 ARG A 116 31.859 18.285 -39.477 1.00 73.34 N ATOM 0 H ARG A 116 28.464 12.236 -37.109 1.00 2.42 H new ATOM 0 HA ARG A 116 29.097 14.831 -35.896 1.00 72.31 H new ATOM 0 HB2 ARG A 116 29.031 14.215 -38.452 1.00 63.10 H new ATOM 0 HB3 ARG A 116 27.293 14.332 -38.269 1.00 63.10 H new ATOM 0 HG2 ARG A 116 27.390 16.643 -37.704 1.00 10.05 H new ATOM 0 HG3 ARG A 116 29.111 16.581 -37.378 1.00 10.05 H new ATOM 0 HD2 ARG A 116 28.339 15.755 -40.127 1.00 31.25 H new ATOM 0 HD3 ARG A 116 27.992 17.430 -39.743 1.00 31.25 H new ATOM 0 HE ARG A 116 30.610 16.246 -40.165 1.00 51.50 H new ATOM 0 HH11 ARG A 116 28.853 18.767 -38.428 1.00 14.15 H new ATOM 0 HH12 ARG A 116 30.268 19.815 -38.282 1.00 14.15 H new ATOM 0 HH21 ARG A 116 32.424 17.597 -39.974 1.00 73.34 H new ATOM 0 HH22 ARG A 116 32.282 19.155 -39.154 1.00 73.34 H new ATOM 1690 N CYS A 117 26.868 13.666 -34.580 1.00 40.13 N ATOM 1691 CA CYS A 117 25.632 13.720 -33.808 1.00 1.43 C ATOM 1692 C CYS A 117 25.917 14.067 -32.350 1.00 34.33 C ATOM 1693 O CYS A 117 25.181 14.832 -31.728 1.00 14.13 O ATOM 1694 CB CYS A 117 24.896 12.381 -33.891 1.00 4.42 C ATOM 1695 SG CYS A 117 25.865 10.961 -33.287 1.00 54.03 S ATOM 0 H CYS A 117 27.586 13.060 -34.184 1.00 40.13 H new ATOM 0 HA CYS A 117 25.001 14.501 -34.232 1.00 1.43 H new ATOM 0 HB2 CYS A 117 23.974 12.449 -33.314 1.00 4.42 H new ATOM 0 HB3 CYS A 117 24.611 12.199 -34.927 1.00 4.42 H new ATOM 0 HG CYS A 117 25.416 9.868 -33.828 1.00 54.03 H new ATOM 1699 N GLY A 118 26.991 13.498 -31.810 1.00 44.33 N ATOM 1700 CA GLY A 118 27.354 13.758 -30.430 1.00 33.13 C ATOM 1701 C GLY A 118 28.418 12.807 -29.920 1.00 63.31 C ATOM 1702 O GLY A 118 29.429 13.235 -29.366 1.00 20.43 O ATOM 0 H GLY A 118 27.616 12.861 -32.305 1.00 44.33 H new ATOM 0 HA2 GLY A 118 27.714 14.783 -30.339 1.00 33.13 H new ATOM 0 HA3 GLY A 118 26.467 13.675 -29.803 1.00 33.13 H new ATOM 1706 N GLY A 119 28.190 11.510 -30.107 1.00 43.12 N ATOM 1707 CA GLY A 119 29.145 10.516 -29.655 1.00 40.24 C ATOM 1708 C GLY A 119 30.216 10.230 -30.689 1.00 24.52 C ATOM 1709 O GLY A 119 30.392 10.991 -31.640 1.00 64.02 O ATOM 0 H GLY A 119 27.361 11.131 -30.564 1.00 43.12 H new ATOM 0 HA2 GLY A 119 29.616 10.861 -28.734 1.00 40.24 H new ATOM 0 HA3 GLY A 119 28.618 9.592 -29.417 1.00 40.24 H new ATOM 1713 N LYS A 120 30.936 9.128 -30.501 1.00 10.42 N ATOM 1714 CA LYS A 120 31.997 8.742 -31.425 1.00 72.42 C ATOM 1715 C LYS A 120 32.044 7.227 -31.596 1.00 33.01 C ATOM 1716 O LYS A 120 31.396 6.488 -30.853 1.00 53.52 O ATOM 1717 CB LYS A 120 33.350 9.251 -30.921 1.00 73.20 C ATOM 1718 CG LYS A 120 33.801 8.600 -29.626 1.00 21.42 C ATOM 1719 CD LYS A 120 35.061 7.775 -29.825 1.00 64.43 C ATOM 1720 CE LYS A 120 35.031 6.500 -28.996 1.00 70.33 C ATOM 1721 NZ LYS A 120 35.142 6.785 -27.538 1.00 21.03 N ATOM 0 H LYS A 120 30.804 8.487 -29.718 1.00 10.42 H new ATOM 0 HA LYS A 120 31.784 9.193 -32.394 1.00 72.42 H new ATOM 0 HB2 LYS A 120 34.104 9.074 -31.688 1.00 73.20 H new ATOM 0 HB3 LYS A 120 33.291 10.329 -30.774 1.00 73.20 H new ATOM 0 HG2 LYS A 120 33.984 9.369 -28.876 1.00 21.42 H new ATOM 0 HG3 LYS A 120 33.005 7.963 -29.242 1.00 21.42 H new ATOM 0 HD2 LYS A 120 35.168 7.522 -30.880 1.00 64.43 H new ATOM 0 HD3 LYS A 120 35.933 8.369 -29.550 1.00 64.43 H new ATOM 0 HE2 LYS A 120 34.104 5.961 -29.191 1.00 70.33 H new ATOM 0 HE3 LYS A 120 35.849 5.848 -29.302 1.00 70.33 H new ATOM 0 HZ1 LYS A 120 35.118 5.891 -27.007 1.00 21.03 H new ATOM 0 HZ2 LYS A 120 36.038 7.277 -27.348 1.00 21.03 H new ATOM 0 HZ3 LYS A 120 34.347 7.386 -27.240 1.00 21.03 H new ATOM 1731 N TYR A 121 32.814 6.771 -32.576 1.00 4.15 N ATOM 1732 CA TYR A 121 32.945 5.344 -32.845 1.00 4.23 C ATOM 1733 C TYR A 121 34.374 4.995 -33.252 1.00 63.24 C ATOM 1734 O TYR A 121 34.934 5.593 -34.170 1.00 63.11 O ATOM 1735 CB TYR A 121 31.972 4.919 -33.947 1.00 34.53 C ATOM 1736 CG TYR A 121 32.653 4.373 -35.180 1.00 33.31 C ATOM 1737 CD1 TYR A 121 33.151 3.077 -35.206 1.00 4.23 C ATOM 1738 CD2 TYR A 121 32.799 5.154 -36.320 1.00 41.10 C ATOM 1739 CE1 TYR A 121 33.776 2.574 -36.332 1.00 71.10 C ATOM 1740 CE2 TYR A 121 33.421 4.659 -37.450 1.00 52.52 C ATOM 1741 CZ TYR A 121 33.908 3.369 -37.451 1.00 64.12 C ATOM 1742 OH TYR A 121 34.528 2.871 -38.574 1.00 42.33 O ATOM 0 H TYR A 121 33.358 7.369 -33.198 1.00 4.15 H new ATOM 0 HA TYR A 121 32.705 4.805 -31.929 1.00 4.23 H new ATOM 0 HB2 TYR A 121 31.296 4.161 -33.550 1.00 34.53 H new ATOM 0 HB3 TYR A 121 31.360 5.776 -34.230 1.00 34.53 H new ATOM 0 HD1 TYR A 121 33.048 2.451 -34.332 1.00 4.23 H new ATOM 0 HD2 TYR A 121 32.420 6.165 -36.323 1.00 41.10 H new ATOM 0 HE1 TYR A 121 34.159 1.564 -36.335 1.00 71.10 H new ATOM 0 HE2 TYR A 121 33.525 5.279 -38.328 1.00 52.52 H new ATOM 0 HH TYR A 121 34.538 3.557 -39.274 1.00 42.33 H new ATOM 1751 N SER A 122 34.957 4.020 -32.561 1.00 62.21 N ATOM 1752 CA SER A 122 36.321 3.592 -32.846 1.00 4.31 C ATOM 1753 C SER A 122 36.404 2.072 -32.948 1.00 61.31 C ATOM 1754 O SER A 122 35.885 1.352 -32.094 1.00 65.20 O ATOM 1755 CB SER A 122 37.275 4.094 -31.760 1.00 61.11 C ATOM 1756 OG SER A 122 38.626 3.933 -32.154 1.00 33.22 O ATOM 0 H SER A 122 34.506 3.512 -31.800 1.00 62.21 H new ATOM 0 HA SER A 122 36.616 4.020 -33.804 1.00 4.31 H new ATOM 0 HB2 SER A 122 37.076 5.146 -31.554 1.00 61.11 H new ATOM 0 HB3 SER A 122 37.096 3.549 -30.834 1.00 61.11 H new ATOM 0 HG SER A 122 38.662 3.661 -33.095 1.00 33.22 H new ATOM 1761 N VAL A 123 37.058 1.589 -34.000 1.00 34.43 N ATOM 1762 CA VAL A 123 37.210 0.156 -34.214 1.00 23.34 C ATOM 1763 C VAL A 123 38.681 -0.242 -34.252 1.00 2.15 C ATOM 1764 O VAL A 123 39.553 0.590 -34.504 1.00 35.24 O ATOM 1765 CB VAL A 123 36.535 -0.291 -35.524 1.00 25.22 C ATOM 1766 CG1 VAL A 123 35.064 -0.599 -35.288 1.00 63.20 C ATOM 1767 CG2 VAL A 123 36.699 0.775 -36.597 1.00 4.03 C ATOM 0 H VAL A 123 37.491 2.170 -34.717 1.00 34.43 H new ATOM 0 HA VAL A 123 36.724 -0.342 -33.375 1.00 23.34 H new ATOM 0 HB VAL A 123 37.021 -1.202 -35.871 1.00 25.22 H new ATOM 0 HG11 VAL A 123 34.603 -0.913 -36.225 1.00 63.20 H new ATOM 0 HG12 VAL A 123 34.973 -1.398 -34.553 1.00 63.20 H new ATOM 0 HG13 VAL A 123 34.560 0.294 -34.917 1.00 63.20 H new ATOM 0 HG21 VAL A 123 36.216 0.443 -37.516 1.00 4.03 H new ATOM 0 HG22 VAL A 123 36.239 1.704 -36.260 1.00 4.03 H new ATOM 0 HG23 VAL A 123 37.760 0.943 -36.784 1.00 4.03 H new ATOM 1777 N SER A 124 38.951 -1.519 -34.002 1.00 10.11 N ATOM 1778 CA SER A 124 40.318 -2.027 -34.005 1.00 44.31 C ATOM 1779 C SER A 124 40.732 -2.463 -35.408 1.00 21.10 C ATOM 1780 O SER A 124 39.894 -2.618 -36.296 1.00 43.11 O ATOM 1781 CB SER A 124 40.450 -3.201 -33.034 1.00 4.03 C ATOM 1782 OG SER A 124 41.063 -2.795 -31.822 1.00 0.53 O ATOM 0 H SER A 124 38.241 -2.221 -33.795 1.00 10.11 H new ATOM 0 HA SER A 124 40.979 -1.223 -33.683 1.00 44.31 H new ATOM 0 HB2 SER A 124 39.464 -3.617 -32.825 1.00 4.03 H new ATOM 0 HB3 SER A 124 41.039 -3.994 -33.495 1.00 4.03 H new ATOM 0 HG SER A 124 41.134 -3.563 -31.218 1.00 0.53 H new ATOM 1787 N LYS A 125 42.032 -2.660 -35.599 1.00 14.21 N ATOM 1788 CA LYS A 125 42.561 -3.079 -36.892 1.00 72.43 C ATOM 1789 C LYS A 125 42.023 -4.452 -37.281 1.00 75.42 C ATOM 1790 O LYS A 125 41.792 -4.728 -38.457 1.00 44.23 O ATOM 1791 CB LYS A 125 44.091 -3.111 -36.854 1.00 43.10 C ATOM 1792 CG LYS A 125 44.719 -3.682 -38.114 1.00 50.04 C ATOM 1793 CD LYS A 125 45.421 -5.002 -37.839 1.00 41.15 C ATOM 1794 CE LYS A 125 46.015 -5.592 -39.109 1.00 74.33 C ATOM 1795 NZ LYS A 125 44.962 -6.098 -40.031 1.00 13.21 N ATOM 0 H LYS A 125 42.739 -2.536 -34.874 1.00 14.21 H new ATOM 0 HA LYS A 125 42.237 -2.356 -37.641 1.00 72.43 H new ATOM 0 HB2 LYS A 125 44.463 -2.098 -36.699 1.00 43.10 H new ATOM 0 HB3 LYS A 125 44.413 -3.703 -35.997 1.00 43.10 H new ATOM 0 HG2 LYS A 125 43.949 -3.829 -38.871 1.00 50.04 H new ATOM 0 HG3 LYS A 125 45.434 -2.967 -38.522 1.00 50.04 H new ATOM 0 HD2 LYS A 125 46.211 -4.849 -37.103 1.00 41.15 H new ATOM 0 HD3 LYS A 125 44.713 -5.708 -37.405 1.00 41.15 H new ATOM 0 HE2 LYS A 125 46.609 -4.833 -39.618 1.00 74.33 H new ATOM 0 HE3 LYS A 125 46.692 -6.406 -38.849 1.00 74.33 H new ATOM 0 HZ1 LYS A 125 45.407 -6.612 -40.818 1.00 13.21 H new ATOM 0 HZ2 LYS A 125 44.327 -6.739 -39.514 1.00 13.21 H new ATOM 0 HZ3 LYS A 125 44.415 -5.297 -40.406 1.00 13.21 H new ATOM 1805 N ASP A 126 41.823 -5.308 -36.284 1.00 0.12 N ATOM 1806 CA ASP A 126 41.309 -6.652 -36.522 1.00 55.31 C ATOM 1807 C ASP A 126 39.786 -6.641 -36.617 1.00 44.14 C ATOM 1808 O ASP A 126 39.184 -7.566 -37.161 1.00 72.05 O ATOM 1809 CB ASP A 126 41.756 -7.597 -35.405 1.00 44.43 C ATOM 1810 CG ASP A 126 41.391 -9.041 -35.689 1.00 14.14 C ATOM 1811 OD1 ASP A 126 41.724 -9.532 -36.787 1.00 51.35 O ATOM 1812 OD2 ASP A 126 40.772 -9.680 -34.812 1.00 33.45 O ATOM 0 H ASP A 126 42.009 -5.095 -35.304 1.00 0.12 H new ATOM 0 HA ASP A 126 41.712 -7.007 -37.470 1.00 55.31 H new ATOM 0 HB2 ASP A 126 42.835 -7.517 -35.275 1.00 44.43 H new ATOM 0 HB3 ASP A 126 41.298 -7.287 -34.466 1.00 44.43 H new ATOM 1816 N GLU A 127 39.172 -5.590 -36.084 1.00 40.33 N ATOM 1817 CA GLU A 127 37.720 -5.461 -36.109 1.00 62.44 C ATOM 1818 C GLU A 127 37.247 -4.870 -37.434 1.00 32.24 C ATOM 1819 O GLU A 127 36.437 -5.470 -38.140 1.00 33.12 O ATOM 1820 CB GLU A 127 37.242 -4.586 -34.948 1.00 13.25 C ATOM 1821 CG GLU A 127 35.762 -4.733 -34.641 1.00 65.32 C ATOM 1822 CD GLU A 127 35.506 -5.446 -33.327 1.00 11.43 C ATOM 1823 OE1 GLU A 127 35.911 -6.620 -33.199 1.00 14.11 O ATOM 1824 OE2 GLU A 127 34.901 -4.827 -32.426 1.00 22.32 O ATOM 0 H GLU A 127 39.657 -4.816 -35.630 1.00 40.33 H new ATOM 0 HA GLU A 127 37.292 -6.458 -36.003 1.00 62.44 H new ATOM 0 HB2 GLU A 127 37.816 -4.837 -34.056 1.00 13.25 H new ATOM 0 HB3 GLU A 127 37.454 -3.542 -35.180 1.00 13.25 H new ATOM 0 HG2 GLU A 127 35.302 -3.746 -34.610 1.00 65.32 H new ATOM 0 HG3 GLU A 127 35.280 -5.284 -35.449 1.00 65.32 H new ATOM 1829 N ALA A 128 37.759 -3.689 -37.763 1.00 54.42 N ATOM 1830 CA ALA A 128 37.392 -3.016 -39.002 1.00 5.41 C ATOM 1831 C ALA A 128 37.713 -3.884 -40.214 1.00 24.40 C ATOM 1832 O ALA A 128 36.982 -3.878 -41.204 1.00 3.13 O ATOM 1833 CB ALA A 128 38.106 -1.675 -39.107 1.00 25.40 C ATOM 0 H ALA A 128 38.429 -3.178 -37.188 1.00 54.42 H new ATOM 0 HA ALA A 128 36.316 -2.842 -38.987 1.00 5.41 H new ATOM 0 HB1 ALA A 128 37.822 -1.184 -40.038 1.00 25.40 H new ATOM 0 HB2 ALA A 128 37.823 -1.045 -38.263 1.00 25.40 H new ATOM 0 HB3 ALA A 128 39.184 -1.835 -39.095 1.00 25.40 H new ATOM 1839 N GLU A 129 38.811 -4.629 -40.129 1.00 30.31 N ATOM 1840 CA GLU A 129 39.229 -5.501 -41.220 1.00 62.25 C ATOM 1841 C GLU A 129 38.300 -6.706 -41.341 1.00 71.54 C ATOM 1842 O GLU A 129 38.231 -7.347 -42.388 1.00 43.15 O ATOM 1843 CB GLU A 129 40.668 -5.974 -41.004 1.00 51.11 C ATOM 1844 CG GLU A 129 40.805 -7.030 -39.921 1.00 41.14 C ATOM 1845 CD GLU A 129 40.586 -8.436 -40.446 1.00 31.33 C ATOM 1846 OE1 GLU A 129 41.400 -8.894 -41.275 1.00 74.45 O ATOM 1847 OE2 GLU A 129 39.599 -9.077 -40.028 1.00 21.24 O ATOM 0 H GLU A 129 39.427 -4.646 -39.316 1.00 30.31 H new ATOM 0 HA GLU A 129 39.177 -4.929 -42.146 1.00 62.25 H new ATOM 0 HB2 GLU A 129 41.054 -6.374 -41.941 1.00 51.11 H new ATOM 0 HB3 GLU A 129 41.288 -5.116 -40.744 1.00 51.11 H new ATOM 0 HG2 GLU A 129 41.798 -6.963 -39.477 1.00 41.14 H new ATOM 0 HG3 GLU A 129 40.086 -6.826 -39.127 1.00 41.14 H new ATOM 1852 N GLU A 130 37.587 -7.006 -40.258 1.00 45.44 N ATOM 1853 CA GLU A 130 36.662 -8.134 -40.242 1.00 10.53 C ATOM 1854 C GLU A 130 35.250 -7.686 -40.611 1.00 33.44 C ATOM 1855 O GLU A 130 34.482 -8.443 -41.203 1.00 40.10 O ATOM 1856 CB GLU A 130 36.656 -8.795 -38.863 1.00 24.41 C ATOM 1857 CG GLU A 130 35.708 -9.980 -38.761 1.00 52.43 C ATOM 1858 CD GLU A 130 35.977 -11.035 -39.816 1.00 73.11 C ATOM 1859 OE1 GLU A 130 37.149 -11.180 -40.223 1.00 24.51 O ATOM 1860 OE2 GLU A 130 35.017 -11.715 -40.234 1.00 62.14 O ATOM 0 H GLU A 130 37.632 -6.485 -39.383 1.00 45.44 H new ATOM 0 HA GLU A 130 36.999 -8.859 -40.983 1.00 10.53 H new ATOM 0 HB2 GLU A 130 37.666 -9.127 -38.624 1.00 24.41 H new ATOM 0 HB3 GLU A 130 36.379 -8.053 -38.115 1.00 24.41 H new ATOM 0 HG2 GLU A 130 35.799 -10.429 -37.772 1.00 52.43 H new ATOM 0 HG3 GLU A 130 34.681 -9.628 -38.858 1.00 52.43 H new ATOM 1865 N VAL A 131 34.916 -6.450 -40.255 1.00 34.44 N ATOM 1866 CA VAL A 131 33.598 -5.900 -40.547 1.00 70.13 C ATOM 1867 C VAL A 131 33.698 -4.453 -41.017 1.00 11.33 C ATOM 1868 O VAL A 131 34.493 -3.673 -40.494 1.00 34.55 O ATOM 1869 CB VAL A 131 32.676 -5.966 -39.315 1.00 12.32 C ATOM 1870 CG1 VAL A 131 32.200 -7.390 -39.080 1.00 23.43 C ATOM 1871 CG2 VAL A 131 33.391 -5.423 -38.086 1.00 22.23 C ATOM 0 H VAL A 131 35.540 -5.810 -39.764 1.00 34.44 H new ATOM 0 HA VAL A 131 33.171 -6.509 -41.344 1.00 70.13 H new ATOM 0 HB VAL A 131 31.801 -5.343 -39.503 1.00 12.32 H new ATOM 0 HG11 VAL A 131 31.550 -7.417 -38.206 1.00 23.43 H new ATOM 0 HG12 VAL A 131 31.648 -7.738 -39.953 1.00 23.43 H new ATOM 0 HG13 VAL A 131 33.060 -8.038 -38.912 1.00 23.43 H new ATOM 0 HG21 VAL A 131 32.725 -5.477 -37.224 1.00 22.23 H new ATOM 0 HG22 VAL A 131 34.284 -6.017 -37.892 1.00 22.23 H new ATOM 0 HG23 VAL A 131 33.676 -4.385 -38.260 1.00 22.23 H new ATOM 1881 N SER A 132 32.885 -4.100 -42.007 1.00 2.44 N ATOM 1882 CA SER A 132 32.884 -2.747 -42.551 1.00 45.30 C ATOM 1883 C SER A 132 31.733 -1.930 -41.972 1.00 4.43 C ATOM 1884 O SER A 132 31.870 -0.732 -41.724 1.00 2.12 O ATOM 1885 CB SER A 132 32.780 -2.788 -44.077 1.00 10.32 C ATOM 1886 OG SER A 132 33.812 -3.581 -44.638 1.00 14.23 O ATOM 0 H SER A 132 32.218 -4.732 -42.449 1.00 2.44 H new ATOM 0 HA SER A 132 33.823 -2.268 -42.271 1.00 45.30 H new ATOM 0 HB2 SER A 132 31.809 -3.190 -44.368 1.00 10.32 H new ATOM 0 HB3 SER A 132 32.838 -1.775 -44.476 1.00 10.32 H new ATOM 0 HG SER A 132 33.722 -3.592 -45.614 1.00 14.23 H new ATOM 1891 N LEU A 133 30.599 -2.588 -41.760 1.00 51.35 N ATOM 1892 CA LEU A 133 29.421 -1.924 -41.211 1.00 61.53 C ATOM 1893 C LEU A 133 29.467 -1.908 -39.687 1.00 35.12 C ATOM 1894 O LEU A 133 29.765 -2.921 -39.054 1.00 31.34 O ATOM 1895 CB LEU A 133 28.147 -2.625 -41.687 1.00 12.02 C ATOM 1896 CG LEU A 133 26.836 -1.884 -41.425 1.00 54.20 C ATOM 1897 CD1 LEU A 133 26.451 -1.981 -39.956 1.00 43.30 C ATOM 1898 CD2 LEU A 133 26.952 -0.428 -41.853 1.00 43.05 C ATOM 0 H LEU A 133 30.470 -3.580 -41.960 1.00 51.35 H new ATOM 0 HA LEU A 133 29.416 -0.894 -41.567 1.00 61.53 H new ATOM 0 HB2 LEU A 133 28.233 -2.803 -42.759 1.00 12.02 H new ATOM 0 HB3 LEU A 133 28.092 -3.601 -41.206 1.00 12.02 H new ATOM 0 HG LEU A 133 26.051 -2.355 -42.016 1.00 54.20 H new ATOM 0 HD11 LEU A 133 25.515 -1.448 -39.789 1.00 43.30 H new ATOM 0 HD12 LEU A 133 26.326 -3.028 -39.681 1.00 43.30 H new ATOM 0 HD13 LEU A 133 27.236 -1.537 -39.344 1.00 43.30 H new ATOM 0 HD21 LEU A 133 26.010 0.084 -41.659 1.00 43.05 H new ATOM 0 HD22 LEU A 133 27.750 0.055 -41.289 1.00 43.05 H new ATOM 0 HD23 LEU A 133 27.180 -0.379 -42.918 1.00 43.05 H new ATOM 1909 N ILE A 134 29.168 -0.752 -39.103 1.00 71.33 N ATOM 1910 CA ILE A 134 29.172 -0.605 -37.652 1.00 24.13 C ATOM 1911 C ILE A 134 28.116 0.397 -37.199 1.00 32.43 C ATOM 1912 O ILE A 134 27.767 1.321 -37.932 1.00 14.05 O ATOM 1913 CB ILE A 134 30.550 -0.151 -37.137 1.00 72.03 C ATOM 1914 CG1 ILE A 134 30.649 -0.364 -35.625 1.00 55.03 C ATOM 1915 CG2 ILE A 134 30.792 1.310 -37.488 1.00 45.21 C ATOM 1916 CD1 ILE A 134 31.969 0.082 -35.037 1.00 61.43 C ATOM 0 H ILE A 134 28.920 0.096 -39.612 1.00 71.33 H new ATOM 0 HA ILE A 134 28.942 -1.585 -37.234 1.00 24.13 H new ATOM 0 HB ILE A 134 31.319 -0.753 -37.621 1.00 72.03 H new ATOM 0 HG12 ILE A 134 29.841 0.180 -35.136 1.00 55.03 H new ATOM 0 HG13 ILE A 134 30.501 -1.421 -35.405 1.00 55.03 H new ATOM 0 HG21 ILE A 134 31.770 1.616 -37.117 1.00 45.21 H new ATOM 0 HG22 ILE A 134 30.759 1.434 -38.570 1.00 45.21 H new ATOM 0 HG23 ILE A 134 30.020 1.927 -37.028 1.00 45.21 H new ATOM 0 HD11 ILE A 134 31.968 -0.099 -33.962 1.00 61.43 H new ATOM 0 HD12 ILE A 134 32.781 -0.479 -35.499 1.00 61.43 H new ATOM 0 HD13 ILE A 134 32.110 1.146 -35.226 1.00 61.43 H new ATOM 1927 N SER A 135 27.612 0.207 -35.984 1.00 70.34 N ATOM 1928 CA SER A 135 26.593 1.092 -35.432 1.00 33.41 C ATOM 1929 C SER A 135 27.231 2.199 -34.597 1.00 60.01 C ATOM 1930 O SER A 135 28.258 1.990 -33.949 1.00 73.04 O ATOM 1931 CB SER A 135 25.606 0.297 -34.576 1.00 73.22 C ATOM 1932 OG SER A 135 26.237 -0.818 -33.971 1.00 13.21 O ATOM 0 H SER A 135 27.893 -0.552 -35.363 1.00 70.34 H new ATOM 0 HA SER A 135 26.055 1.550 -36.262 1.00 33.41 H new ATOM 0 HB2 SER A 135 25.186 0.943 -33.805 1.00 73.22 H new ATOM 0 HB3 SER A 135 24.775 -0.043 -35.195 1.00 73.22 H new ATOM 0 HG SER A 135 25.585 -1.308 -33.428 1.00 13.21 H new ATOM 1937 N CYS A 136 26.616 3.376 -34.618 1.00 74.53 N ATOM 1938 CA CYS A 136 27.122 4.517 -33.864 1.00 32.41 C ATOM 1939 C CYS A 136 26.708 4.428 -32.399 1.00 14.10 C ATOM 1940 O CYS A 136 25.638 3.913 -32.076 1.00 41.41 O ATOM 1941 CB CYS A 136 26.612 5.824 -34.473 1.00 55.23 C ATOM 1942 SG CYS A 136 27.199 7.311 -33.628 1.00 13.24 S ATOM 0 H CYS A 136 25.766 3.565 -35.149 1.00 74.53 H new ATOM 0 HA CYS A 136 28.211 4.501 -33.916 1.00 32.41 H new ATOM 0 HB2 CYS A 136 26.917 5.869 -35.518 1.00 55.23 H new ATOM 0 HB3 CYS A 136 25.522 5.818 -34.459 1.00 55.23 H new ATOM 0 HG CYS A 136 27.170 8.317 -34.450 1.00 13.24 H new ATOM 1946 N ASP A 137 27.563 4.933 -31.516 1.00 72.00 N ATOM 1947 CA ASP A 137 27.285 4.911 -30.084 1.00 24.24 C ATOM 1948 C ASP A 137 26.596 6.198 -29.644 1.00 53.54 C ATOM 1949 O ASP A 137 27.054 6.878 -28.724 1.00 51.23 O ATOM 1950 CB ASP A 137 28.581 4.717 -29.296 1.00 21.44 C ATOM 1951 CG ASP A 137 28.328 4.334 -27.851 1.00 0.20 C ATOM 1952 OD1 ASP A 137 27.146 4.197 -27.472 1.00 24.10 O ATOM 1953 OD2 ASP A 137 29.312 4.173 -27.098 1.00 42.34 O ATOM 0 H ASP A 137 28.454 5.362 -31.766 1.00 72.00 H new ATOM 0 HA ASP A 137 26.616 4.075 -29.881 1.00 24.24 H new ATOM 0 HB2 ASP A 137 29.181 3.943 -29.774 1.00 21.44 H new ATOM 0 HB3 ASP A 137 29.164 5.638 -29.328 1.00 21.44 H new ATOM 1957 N THR A 138 25.492 6.529 -30.307 1.00 2.22 N ATOM 1958 CA THR A 138 24.741 7.735 -29.986 1.00 50.33 C ATOM 1959 C THR A 138 23.441 7.802 -30.782 1.00 33.43 C ATOM 1960 O THR A 138 22.351 7.819 -30.209 1.00 11.34 O ATOM 1961 CB THR A 138 25.567 9.004 -30.269 1.00 34.33 C ATOM 1962 OG1 THR A 138 26.819 8.651 -30.867 1.00 44.14 O ATOM 1963 CG2 THR A 138 25.816 9.784 -28.986 1.00 1.42 C ATOM 0 H THR A 138 25.099 5.978 -31.070 1.00 2.22 H new ATOM 0 HA THR A 138 24.511 7.689 -28.921 1.00 50.33 H new ATOM 0 HB THR A 138 25.001 9.633 -30.956 1.00 34.33 H new ATOM 0 HG1 THR A 138 26.670 8.359 -31.790 1.00 44.14 H new ATOM 0 HG21 THR A 138 26.401 10.676 -29.210 1.00 1.42 H new ATOM 0 HG22 THR A 138 24.862 10.077 -28.547 1.00 1.42 H new ATOM 0 HG23 THR A 138 26.363 9.159 -28.281 1.00 1.42 H new ATOM 1971 N CYS A 139 23.564 7.839 -32.104 1.00 10.11 N ATOM 1972 CA CYS A 139 22.400 7.903 -32.979 1.00 74.31 C ATOM 1973 C CYS A 139 22.077 6.528 -33.556 1.00 71.33 C ATOM 1974 O CYS A 139 22.976 5.762 -33.902 1.00 41.24 O ATOM 1975 CB CYS A 139 22.643 8.901 -34.114 1.00 74.22 C ATOM 1976 SG CYS A 139 24.061 8.485 -35.178 1.00 23.21 S ATOM 0 H CYS A 139 24.459 7.826 -32.593 1.00 10.11 H new ATOM 0 HA CYS A 139 21.549 8.238 -32.386 1.00 74.31 H new ATOM 0 HB2 CYS A 139 21.745 8.960 -34.730 1.00 74.22 H new ATOM 0 HB3 CYS A 139 22.802 9.891 -33.686 1.00 74.22 H new ATOM 0 HG CYS A 139 25.044 8.057 -34.443 1.00 23.21 H new ATOM 1980 N SER A 140 20.787 6.224 -33.658 1.00 23.44 N ATOM 1981 CA SER A 140 20.345 4.940 -34.190 1.00 33.33 C ATOM 1982 C SER A 140 20.640 4.840 -35.683 1.00 24.33 C ATOM 1983 O SER A 140 19.777 5.115 -36.518 1.00 1.20 O ATOM 1984 CB SER A 140 18.848 4.749 -33.941 1.00 73.04 C ATOM 1985 OG SER A 140 18.191 5.997 -33.798 1.00 35.23 O ATOM 0 H SER A 140 20.030 6.849 -33.380 1.00 23.44 H new ATOM 0 HA SER A 140 20.895 4.153 -33.675 1.00 33.33 H new ATOM 0 HB2 SER A 140 18.406 4.195 -34.769 1.00 73.04 H new ATOM 0 HB3 SER A 140 18.699 4.151 -33.042 1.00 73.04 H new ATOM 0 HG SER A 140 17.328 5.967 -34.261 1.00 35.23 H new ATOM 1990 N LEU A 141 21.864 4.444 -36.012 1.00 0.22 N ATOM 1991 CA LEU A 141 22.275 4.307 -37.406 1.00 15.22 C ATOM 1992 C LEU A 141 23.553 3.481 -37.518 1.00 71.23 C ATOM 1993 O LEU A 141 24.104 3.033 -36.512 1.00 51.04 O ATOM 1994 CB LEU A 141 22.490 5.685 -38.032 1.00 55.50 C ATOM 1995 CG LEU A 141 21.349 6.212 -38.903 1.00 51.44 C ATOM 1996 CD1 LEU A 141 21.572 7.676 -39.249 1.00 22.33 C ATOM 1997 CD2 LEU A 141 21.215 5.378 -40.169 1.00 5.13 C ATOM 0 H LEU A 141 22.590 4.212 -35.334 1.00 0.22 H new ATOM 0 HA LEU A 141 21.481 3.790 -37.944 1.00 15.22 H new ATOM 0 HB2 LEU A 141 22.670 6.402 -37.231 1.00 55.50 H new ATOM 0 HB3 LEU A 141 23.396 5.650 -38.637 1.00 55.50 H new ATOM 0 HG LEU A 141 20.420 6.131 -38.338 1.00 51.44 H new ATOM 0 HD11 LEU A 141 20.750 8.033 -39.869 1.00 22.33 H new ATOM 0 HD12 LEU A 141 21.617 8.264 -38.332 1.00 22.33 H new ATOM 0 HD13 LEU A 141 22.510 7.782 -39.794 1.00 22.33 H new ATOM 0 HD21 LEU A 141 20.398 5.768 -40.777 1.00 5.13 H new ATOM 0 HD22 LEU A 141 22.144 5.426 -40.737 1.00 5.13 H new ATOM 0 HD23 LEU A 141 21.006 4.342 -39.902 1.00 5.13 H new ATOM 2008 N ILE A 142 24.019 3.285 -38.747 1.00 20.50 N ATOM 2009 CA ILE A 142 25.232 2.515 -38.989 1.00 10.34 C ATOM 2010 C ILE A 142 26.036 3.106 -40.142 1.00 0.13 C ATOM 2011 O ILE A 142 25.474 3.532 -41.151 1.00 73.04 O ATOM 2012 CB ILE A 142 24.912 1.042 -39.304 1.00 75.22 C ATOM 2013 CG1 ILE A 142 23.716 0.949 -40.253 1.00 53.23 C ATOM 2014 CG2 ILE A 142 24.637 0.275 -38.020 1.00 20.41 C ATOM 2015 CD1 ILE A 142 22.383 0.887 -39.541 1.00 23.11 C ATOM 0 H ILE A 142 23.575 3.649 -39.590 1.00 20.50 H new ATOM 0 HA ILE A 142 25.823 2.562 -38.074 1.00 10.34 H new ATOM 0 HB ILE A 142 25.776 0.594 -39.794 1.00 75.22 H new ATOM 0 HG12 ILE A 142 23.723 1.812 -40.919 1.00 53.23 H new ATOM 0 HG13 ILE A 142 23.826 0.063 -40.878 1.00 53.23 H new ATOM 0 HG21 ILE A 142 24.412 -0.765 -38.258 1.00 20.41 H new ATOM 0 HG22 ILE A 142 25.515 0.318 -37.375 1.00 20.41 H new ATOM 0 HG23 ILE A 142 23.786 0.721 -37.505 1.00 20.41 H new ATOM 0 HD11 ILE A 142 21.581 0.822 -40.276 1.00 23.11 H new ATOM 0 HD12 ILE A 142 22.356 0.009 -38.896 1.00 23.11 H new ATOM 0 HD13 ILE A 142 22.251 1.785 -38.938 1.00 23.11 H new ATOM 2026 N ILE A 143 27.356 3.128 -39.987 1.00 31.50 N ATOM 2027 CA ILE A 143 28.238 3.664 -41.016 1.00 41.21 C ATOM 2028 C ILE A 143 29.152 2.579 -41.575 1.00 2.43 C ATOM 2029 O ILE A 143 29.176 1.456 -41.074 1.00 44.10 O ATOM 2030 CB ILE A 143 29.101 4.817 -40.473 1.00 54.01 C ATOM 2031 CG1 ILE A 143 29.962 4.333 -39.305 1.00 13.24 C ATOM 2032 CG2 ILE A 143 28.220 5.981 -40.042 1.00 63.21 C ATOM 2033 CD1 ILE A 143 31.353 3.904 -39.717 1.00 2.12 C ATOM 0 H ILE A 143 27.838 2.780 -39.158 1.00 31.50 H new ATOM 0 HA ILE A 143 27.599 4.044 -41.813 1.00 41.21 H new ATOM 0 HB ILE A 143 29.762 5.162 -41.268 1.00 54.01 H new ATOM 0 HG12 ILE A 143 30.040 5.131 -38.567 1.00 13.24 H new ATOM 0 HG13 ILE A 143 29.462 3.496 -38.818 1.00 13.24 H new ATOM 0 HG21 ILE A 143 28.845 6.788 -39.660 1.00 63.21 H new ATOM 0 HG22 ILE A 143 27.646 6.339 -40.897 1.00 63.21 H new ATOM 0 HG23 ILE A 143 27.537 5.650 -39.260 1.00 63.21 H new ATOM 0 HD11 ILE A 143 31.907 3.573 -38.838 1.00 2.12 H new ATOM 0 HD12 ILE A 143 31.284 3.085 -40.432 1.00 2.12 H new ATOM 0 HD13 ILE A 143 31.872 4.745 -40.177 1.00 2.12 H new ATOM 2044 N GLU A 144 29.906 2.926 -42.615 1.00 62.25 N ATOM 2045 CA GLU A 144 30.823 1.981 -43.241 1.00 41.33 C ATOM 2046 C GLU A 144 32.245 2.535 -43.261 1.00 52.25 C ATOM 2047 O GLU A 144 32.470 3.683 -43.650 1.00 63.40 O ATOM 2048 CB GLU A 144 30.367 1.663 -44.666 1.00 11.23 C ATOM 2049 CG GLU A 144 30.641 0.229 -45.087 1.00 4.04 C ATOM 2050 CD GLU A 144 30.419 0.002 -46.569 1.00 42.05 C ATOM 2051 OE1 GLU A 144 30.717 0.922 -47.360 1.00 2.54 O ATOM 2052 OE2 GLU A 144 29.946 -1.093 -46.939 1.00 40.52 O ATOM 0 H GLU A 144 29.899 3.853 -43.040 1.00 62.25 H new ATOM 0 HA GLU A 144 30.818 1.064 -42.652 1.00 41.33 H new ATOM 0 HB2 GLU A 144 29.298 1.859 -44.749 1.00 11.23 H new ATOM 0 HB3 GLU A 144 30.869 2.338 -45.358 1.00 11.23 H new ATOM 0 HG2 GLU A 144 31.669 -0.029 -44.834 1.00 4.04 H new ATOM 0 HG3 GLU A 144 29.995 -0.442 -44.520 1.00 4.04 H new ATOM 2057 N LEU A 145 33.200 1.714 -42.839 1.00 51.22 N ATOM 2058 CA LEU A 145 34.600 2.122 -42.808 1.00 32.51 C ATOM 2059 C LEU A 145 35.269 1.874 -44.155 1.00 3.33 C ATOM 2060 O LEU A 145 35.225 0.764 -44.688 1.00 60.25 O ATOM 2061 CB LEU A 145 35.347 1.365 -41.707 1.00 40.52 C ATOM 2062 CG LEU A 145 35.618 -0.115 -41.976 1.00 72.32 C ATOM 2063 CD1 LEU A 145 37.025 -0.312 -42.516 1.00 13.24 C ATOM 2064 CD2 LEU A 145 35.411 -0.933 -40.709 1.00 13.04 C ATOM 0 H LEU A 145 33.031 0.762 -42.514 1.00 51.22 H new ATOM 0 HA LEU A 145 34.638 3.191 -42.596 1.00 32.51 H new ATOM 0 HB2 LEU A 145 36.301 1.863 -41.534 1.00 40.52 H new ATOM 0 HB3 LEU A 145 34.773 1.447 -40.784 1.00 40.52 H new ATOM 0 HG LEU A 145 34.911 -0.463 -42.730 1.00 72.32 H new ATOM 0 HD11 LEU A 145 37.199 -1.372 -42.701 1.00 13.24 H new ATOM 0 HD12 LEU A 145 37.138 0.242 -43.448 1.00 13.24 H new ATOM 0 HD13 LEU A 145 37.749 0.052 -41.787 1.00 13.24 H new ATOM 0 HD21 LEU A 145 35.608 -1.984 -40.918 1.00 13.04 H new ATOM 0 HD22 LEU A 145 36.093 -0.583 -39.934 1.00 13.04 H new ATOM 0 HD23 LEU A 145 34.383 -0.818 -40.366 1.00 13.04 H new ATOM 2075 N LEU A 146 35.892 2.913 -44.701 1.00 65.34 N ATOM 2076 CA LEU A 146 36.573 2.807 -45.986 1.00 2.14 C ATOM 2077 C LEU A 146 38.042 3.200 -45.858 1.00 34.41 C ATOM 2078 O LEU A 146 38.364 4.302 -45.413 1.00 4.01 O ATOM 2079 CB LEU A 146 35.886 3.696 -47.025 1.00 61.21 C ATOM 2080 CG LEU A 146 34.361 3.767 -46.943 1.00 72.11 C ATOM 2081 CD1 LEU A 146 33.801 4.577 -48.101 1.00 55.42 C ATOM 2082 CD2 LEU A 146 33.761 2.369 -46.928 1.00 5.14 C ATOM 0 H LEU A 146 35.939 3.838 -44.274 1.00 65.34 H new ATOM 0 HA LEU A 146 36.520 1.768 -46.312 1.00 2.14 H new ATOM 0 HB2 LEU A 146 36.283 4.707 -46.929 1.00 61.21 H new ATOM 0 HB3 LEU A 146 36.160 3.339 -48.018 1.00 61.21 H new ATOM 0 HG LEU A 146 34.090 4.266 -46.013 1.00 72.11 H new ATOM 0 HD11 LEU A 146 32.714 4.616 -48.026 1.00 55.42 H new ATOM 0 HD12 LEU A 146 34.204 5.589 -48.066 1.00 55.42 H new ATOM 0 HD13 LEU A 146 34.082 4.107 -49.043 1.00 55.42 H new ATOM 0 HD21 LEU A 146 32.675 2.440 -46.869 1.00 5.14 H new ATOM 0 HD22 LEU A 146 34.042 1.843 -47.840 1.00 5.14 H new ATOM 0 HD23 LEU A 146 34.136 1.821 -46.063 1.00 5.14 H new ATOM 2093 N HIS A 147 38.929 2.291 -46.251 1.00 41.40 N ATOM 2094 CA HIS A 147 40.364 2.543 -46.182 1.00 52.30 C ATOM 2095 C HIS A 147 40.863 3.198 -47.466 1.00 43.45 C ATOM 2096 O HIS A 147 41.147 2.517 -48.453 1.00 20.41 O ATOM 2097 CB HIS A 147 41.121 1.238 -45.934 1.00 60.32 C ATOM 2098 CG HIS A 147 42.528 1.442 -45.464 1.00 55.21 C ATOM 2099 ND1 HIS A 147 42.961 1.083 -44.204 1.00 65.01 N ATOM 2100 CD2 HIS A 147 43.604 1.971 -46.092 1.00 4.43 C ATOM 2101 CE1 HIS A 147 44.241 1.383 -44.079 1.00 53.35 C ATOM 2102 NE2 HIS A 147 44.656 1.922 -45.210 1.00 51.41 N ATOM 0 H HIS A 147 38.679 1.374 -46.620 1.00 41.40 H new ATOM 0 HA HIS A 147 40.549 3.225 -45.352 1.00 52.30 H new ATOM 0 HB2 HIS A 147 40.581 0.649 -45.193 1.00 60.32 H new ATOM 0 HB3 HIS A 147 41.135 0.655 -46.855 1.00 60.32 H new ATOM 0 HD2 HIS A 147 43.631 2.359 -47.099 1.00 4.43 H new ATOM 0 HE1 HIS A 147 44.846 1.216 -43.200 1.00 53.35 H new ATOM 0 HE2 HIS A 147 45.604 2.249 -45.398 1.00 51.41 H new