USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 768 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 74 CYS SG : rot -40:sc= 0.427 USER MOD Set 1.2: A 78 THR OG1 : rot -27:sc= 2.03 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -176:sc= 1.01 (180deg=0.93) USER MOD Single : A 63 ASN : amide:sc= 0.708 K(o=0.71,f=-6.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= 0.886 (180deg=-0.0938) USER MOD Single : A 76 MET CE :methyl -127:sc= -0.361 (180deg=-2.41!) USER MOD Single : A 77 GLN : amide:sc= -2.29 K(o=-2.3,f=-3.8!) USER MOD Single : A 81 HIS : no HE2:sc= 0.545 K(o=0.55,f=-6.4!) USER MOD Single : A 89 TYR OH : rot 30:sc= 0.135 USER MOD Single : A 90 ASN : amide:sc= -0.0328 X(o=-0.033,f=-0.1) USER MOD Single : A 92 GLN : amide:sc= -0.0397 K(o=-0.04,f=-1.3!) USER MOD Single : A 93 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.14) USER MOD Single : A 96 HIS : no HD1:sc= -0.691 K(o=-0.69,f=-3.2!) USER MOD Single : A 97 SER OG : rot 180:sc= 0.026 USER MOD Single : A 102 SER OG : rot 69:sc= 1.23 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0.739 K(o=0.74,f=0) USER MOD Single : A 110 SER OG : rot -75:sc= 1.24 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0142) USER MOD Single : A 124 TYR OH : rot 180:sc= -0.056 USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -12.9! C(o=-13!,f=-13!) USER MOD Single : A 131 CYS SG : rot 137:sc= 0.413 USER MOD Single : A 132 THR OG1 : rot 74:sc= 0.847 USER MOD Single : A 135 LYS NZ :NH3+ 141:sc= -0.601 (180deg=-3!) USER MOD Single : A 137 HIS : no HD1:sc= -0.467 X(o=-0.47,f=0) USER MOD Single : A 138 SER OG : rot -68:sc= 0.0991! USER MOD Single : B 27 SER OG : rot -26:sc= 0.44 USER MOD Single : B 29 SER OG : rot -44:sc= 0.881 USER MOD Single : B 33 GLN : amide:sc= 0.322 X(o=0.32,f=-0.025) USER MOD Single : B 34 TYR OH : rot 7:sc= 0.756 USER MOD Single : B 36 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N TYR A 59 -14.660 6.003 -0.457 1.00 0.57 N ATOM 118 CA TYR A 59 -13.418 6.753 -0.364 1.00 0.44 C ATOM 119 C TYR A 59 -12.551 6.441 -1.569 1.00 0.41 C ATOM 120 O TYR A 59 -11.335 6.619 -1.543 1.00 0.42 O ATOM 121 CB TYR A 59 -12.687 6.441 0.944 1.00 0.66 C ATOM 122 CG TYR A 59 -13.429 6.938 2.157 1.00 0.89 C ATOM 123 CD1 TYR A 59 -14.593 6.319 2.542 1.00 1.04 C ATOM 124 CD2 TYR A 59 -12.976 8.020 2.902 1.00 1.06 C ATOM 125 CE1 TYR A 59 -15.306 6.751 3.639 1.00 1.27 C ATOM 126 CE2 TYR A 59 -13.679 8.463 4.008 1.00 1.30 C ATOM 127 CZ TYR A 59 -14.847 7.824 4.372 1.00 1.34 C ATOM 128 OH TYR A 59 -15.556 8.251 5.473 1.00 1.64 O ATOM 0 HA TYR A 59 -13.643 7.820 -0.360 1.00 0.44 H new ATOM 0 HB2 TYR A 59 -12.543 5.364 1.027 1.00 0.66 H new ATOM 0 HB3 TYR A 59 -11.696 6.894 0.919 1.00 0.66 H new ATOM 0 HD1 TYR A 59 -14.957 5.476 1.973 1.00 1.04 H new ATOM 0 HD2 TYR A 59 -12.064 8.521 2.614 1.00 1.06 H new ATOM 0 HE1 TYR A 59 -16.220 6.251 3.923 1.00 1.27 H new ATOM 0 HE2 TYR A 59 -13.317 9.303 4.582 1.00 1.30 H new ATOM 0 HH TYR A 59 -15.099 9.016 5.880 1.00 1.64 H new ATOM 138 N LYS A 60 -13.215 5.976 -2.623 1.00 0.42 N ATOM 139 CA LYS A 60 -12.562 5.624 -3.876 1.00 0.43 C ATOM 140 C LYS A 60 -11.687 6.769 -4.371 1.00 0.40 C ATOM 141 O LYS A 60 -10.471 6.624 -4.470 1.00 0.41 O ATOM 142 CB LYS A 60 -13.625 5.274 -4.925 1.00 0.52 C ATOM 143 CG LYS A 60 -13.066 4.956 -6.303 1.00 1.16 C ATOM 144 CD LYS A 60 -14.179 4.613 -7.281 1.00 1.35 C ATOM 145 CE LYS A 60 -13.649 4.400 -8.692 1.00 1.75 C ATOM 146 NZ LYS A 60 -13.061 5.640 -9.262 1.00 2.29 N ATOM 0 H LYS A 60 -14.225 5.833 -2.630 1.00 0.42 H new ATOM 0 HA LYS A 60 -11.921 4.759 -3.708 1.00 0.43 H new ATOM 0 HB2 LYS A 60 -14.198 4.417 -4.572 1.00 0.52 H new ATOM 0 HB3 LYS A 60 -14.321 6.108 -5.012 1.00 0.52 H new ATOM 0 HG2 LYS A 60 -12.501 5.811 -6.676 1.00 1.16 H new ATOM 0 HG3 LYS A 60 -12.370 4.120 -6.232 1.00 1.16 H new ATOM 0 HD2 LYS A 60 -14.692 3.711 -6.946 1.00 1.35 H new ATOM 0 HD3 LYS A 60 -14.917 5.415 -7.288 1.00 1.35 H new ATOM 0 HE2 LYS A 60 -12.894 3.614 -8.680 1.00 1.75 H new ATOM 0 HE3 LYS A 60 -14.459 4.055 -9.335 1.00 1.75 H new ATOM 0 HZ1 LYS A 60 -12.775 5.468 -10.247 1.00 2.29 H new ATOM 0 HZ2 LYS A 60 -13.767 6.403 -9.235 1.00 2.29 H new ATOM 0 HZ3 LYS A 60 -12.229 5.918 -8.703 1.00 2.29 H new ATOM 160 N LEU A 61 -12.317 7.911 -4.636 1.00 0.45 N ATOM 161 CA LEU A 61 -11.623 9.087 -5.151 1.00 0.49 C ATOM 162 C LEU A 61 -10.401 9.431 -4.303 1.00 0.38 C ATOM 163 O LEU A 61 -9.329 9.720 -4.834 1.00 0.41 O ATOM 164 CB LEU A 61 -12.565 10.291 -5.214 1.00 0.62 C ATOM 165 CG LEU A 61 -13.156 10.725 -3.877 1.00 0.63 C ATOM 166 CD1 LEU A 61 -13.507 12.204 -3.902 1.00 0.75 C ATOM 167 CD2 LEU A 61 -14.386 9.899 -3.527 1.00 0.81 C ATOM 0 H LEU A 61 -13.319 8.046 -4.500 1.00 0.45 H new ATOM 0 HA LEU A 61 -11.285 8.847 -6.159 1.00 0.49 H new ATOM 0 HB2 LEU A 61 -12.023 11.133 -5.644 1.00 0.62 H new ATOM 0 HB3 LEU A 61 -13.383 10.057 -5.895 1.00 0.62 H new ATOM 0 HG LEU A 61 -12.402 10.556 -3.109 1.00 0.63 H new ATOM 0 HD11 LEU A 61 -13.927 12.495 -2.939 1.00 0.75 H new ATOM 0 HD12 LEU A 61 -12.608 12.788 -4.096 1.00 0.75 H new ATOM 0 HD13 LEU A 61 -14.238 12.391 -4.688 1.00 0.75 H new ATOM 0 HD21 LEU A 61 -14.786 10.230 -2.569 1.00 0.81 H new ATOM 0 HD22 LEU A 61 -15.143 10.028 -4.301 1.00 0.81 H new ATOM 0 HD23 LEU A 61 -14.111 8.846 -3.461 1.00 0.81 H new ATOM 179 N GLU A 62 -10.572 9.397 -2.989 1.00 0.33 N ATOM 180 CA GLU A 62 -9.490 9.687 -2.071 1.00 0.30 C ATOM 181 C GLU A 62 -8.354 8.696 -2.193 1.00 0.26 C ATOM 182 O GLU A 62 -7.227 9.084 -2.472 1.00 0.32 O ATOM 183 CB GLU A 62 -10.002 9.699 -0.638 1.00 0.41 C ATOM 184 CG GLU A 62 -10.450 11.066 -0.207 1.00 0.50 C ATOM 185 CD GLU A 62 -10.536 11.207 1.295 1.00 1.29 C ATOM 186 OE1 GLU A 62 -11.580 10.850 1.877 1.00 2.00 O ATOM 187 OE2 GLU A 62 -9.548 11.675 1.904 1.00 1.51 O ATOM 0 H GLU A 62 -11.457 9.169 -2.537 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.104 10.672 -2.335 1.00 0.30 H new ATOM 0 HB2 GLU A 62 -10.833 9.000 -0.545 1.00 0.41 H new ATOM 0 HB3 GLU A 62 -9.215 9.349 0.030 1.00 0.41 H new ATOM 0 HG2 GLU A 62 -9.757 11.811 -0.598 1.00 0.50 H new ATOM 0 HG3 GLU A 62 -11.426 11.278 -0.644 1.00 0.50 H new ATOM 194 N ASN A 63 -8.669 7.424 -2.041 1.00 0.24 N ATOM 195 CA ASN A 63 -7.650 6.381 -1.955 1.00 0.23 C ATOM 196 C ASN A 63 -6.886 6.240 -3.262 1.00 0.21 C ATOM 197 O ASN A 63 -5.698 5.921 -3.261 1.00 0.22 O ATOM 198 CB ASN A 63 -8.280 5.042 -1.565 1.00 0.33 C ATOM 199 CG ASN A 63 -8.944 5.087 -0.202 1.00 1.10 C ATOM 200 OD1 ASN A 63 -8.535 5.841 0.677 1.00 2.24 O ATOM 201 ND2 ASN A 63 -9.973 4.275 -0.014 1.00 0.90 N ATOM 0 H ASN A 63 -9.627 7.081 -1.974 1.00 0.24 H new ATOM 0 HA ASN A 63 -6.942 6.677 -1.181 1.00 0.23 H new ATOM 0 HB2 ASN A 63 -9.018 4.759 -2.316 1.00 0.33 H new ATOM 0 HB3 ASN A 63 -7.512 4.269 -1.566 1.00 0.33 H new ATOM 0 HD21 ASN A 63 -10.455 4.262 0.885 1.00 0.90 H new ATOM 0 HD22 ASN A 63 -10.284 3.663 -0.768 1.00 0.90 H new ATOM 208 N GLU A 64 -7.560 6.491 -4.374 1.00 0.23 N ATOM 209 CA GLU A 64 -6.921 6.418 -5.670 1.00 0.29 C ATOM 210 C GLU A 64 -5.811 7.453 -5.791 1.00 0.29 C ATOM 211 O GLU A 64 -4.683 7.119 -6.151 1.00 0.35 O ATOM 212 CB GLU A 64 -7.943 6.613 -6.780 1.00 0.38 C ATOM 213 CG GLU A 64 -9.005 5.537 -6.819 1.00 0.41 C ATOM 214 CD GLU A 64 -9.863 5.624 -8.060 1.00 0.56 C ATOM 215 OE1 GLU A 64 -10.875 6.357 -8.040 1.00 0.69 O ATOM 216 OE2 GLU A 64 -9.536 4.954 -9.059 1.00 0.88 O ATOM 0 H GLU A 64 -8.547 6.746 -4.401 1.00 0.23 H new ATOM 0 HA GLU A 64 -6.477 5.427 -5.770 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -8.424 7.583 -6.653 1.00 0.38 H new ATOM 0 HB3 GLU A 64 -7.426 6.637 -7.739 1.00 0.38 H new ATOM 0 HG2 GLU A 64 -8.529 4.558 -6.777 1.00 0.41 H new ATOM 0 HG3 GLU A 64 -9.638 5.622 -5.936 1.00 0.41 H new ATOM 223 N LYS A 65 -6.127 8.703 -5.479 1.00 0.27 N ATOM 224 CA LYS A 65 -5.140 9.775 -5.555 1.00 0.30 C ATOM 225 C LYS A 65 -4.172 9.664 -4.392 1.00 0.23 C ATOM 226 O LYS A 65 -3.005 10.035 -4.489 1.00 0.30 O ATOM 227 CB LYS A 65 -5.829 11.131 -5.538 1.00 0.39 C ATOM 228 CG LYS A 65 -7.002 11.201 -6.485 1.00 0.65 C ATOM 229 CD LYS A 65 -7.689 12.556 -6.456 1.00 1.23 C ATOM 230 CE LYS A 65 -8.294 12.853 -5.094 1.00 2.14 C ATOM 231 NZ LYS A 65 -9.103 14.100 -5.107 1.00 2.98 N ATOM 0 H LYS A 65 -7.053 9.000 -5.172 1.00 0.27 H new ATOM 0 HA LYS A 65 -4.587 9.681 -6.489 1.00 0.30 H new ATOM 0 HB2 LYS A 65 -6.171 11.347 -4.526 1.00 0.39 H new ATOM 0 HB3 LYS A 65 -5.107 11.904 -5.802 1.00 0.39 H new ATOM 0 HG2 LYS A 65 -6.660 10.991 -7.499 1.00 0.65 H new ATOM 0 HG3 LYS A 65 -7.722 10.426 -6.225 1.00 0.65 H new ATOM 0 HD2 LYS A 65 -6.969 13.334 -6.712 1.00 1.23 H new ATOM 0 HD3 LYS A 65 -8.471 12.583 -7.215 1.00 1.23 H new ATOM 0 HE2 LYS A 65 -8.921 12.017 -4.785 1.00 2.14 H new ATOM 0 HE3 LYS A 65 -7.498 12.944 -4.355 1.00 2.14 H new ATOM 0 HZ1 LYS A 65 -9.498 14.267 -4.160 1.00 2.98 H new ATOM 0 HZ2 LYS A 65 -8.499 14.903 -5.377 1.00 2.98 H new ATOM 0 HZ3 LYS A 65 -9.878 14.004 -5.793 1.00 2.98 H new ATOM 245 N LEU A 66 -4.686 9.135 -3.299 1.00 0.16 N ATOM 246 CA LEU A 66 -3.921 8.911 -2.085 1.00 0.15 C ATOM 247 C LEU A 66 -2.735 7.991 -2.315 1.00 0.15 C ATOM 248 O LEU A 66 -1.601 8.328 -1.975 1.00 0.18 O ATOM 249 CB LEU A 66 -4.841 8.301 -1.044 1.00 0.15 C ATOM 250 CG LEU A 66 -4.991 9.125 0.208 1.00 0.20 C ATOM 251 CD1 LEU A 66 -6.210 8.680 0.991 1.00 0.24 C ATOM 252 CD2 LEU A 66 -3.723 9.003 1.017 1.00 0.22 C ATOM 0 H LEU A 66 -5.661 8.844 -3.227 1.00 0.16 H new ATOM 0 HA LEU A 66 -3.526 9.869 -1.747 1.00 0.15 H new ATOM 0 HB2 LEU A 66 -5.825 8.153 -1.488 1.00 0.15 H new ATOM 0 HB3 LEU A 66 -4.462 7.316 -0.773 1.00 0.15 H new ATOM 0 HG LEU A 66 -5.145 10.174 -0.044 1.00 0.20 H new ATOM 0 HD11 LEU A 66 -6.304 9.285 1.893 1.00 0.24 H new ATOM 0 HD12 LEU A 66 -7.102 8.803 0.377 1.00 0.24 H new ATOM 0 HD13 LEU A 66 -6.102 7.631 1.268 1.00 0.24 H new ATOM 0 HD21 LEU A 66 -3.814 9.594 1.928 1.00 0.22 H new ATOM 0 HD22 LEU A 66 -3.557 7.958 1.278 1.00 0.22 H new ATOM 0 HD23 LEU A 66 -2.880 9.369 0.430 1.00 0.22 H new ATOM 264 N PHE A 67 -3.014 6.821 -2.866 1.00 0.14 N ATOM 265 CA PHE A 67 -1.983 5.837 -3.161 1.00 0.15 C ATOM 266 C PHE A 67 -0.858 6.459 -3.987 1.00 0.17 C ATOM 267 O PHE A 67 0.324 6.177 -3.772 1.00 0.20 O ATOM 268 CB PHE A 67 -2.601 4.659 -3.908 1.00 0.15 C ATOM 269 CG PHE A 67 -1.922 3.364 -3.614 1.00 0.16 C ATOM 270 CD1 PHE A 67 -0.784 2.983 -4.296 1.00 0.17 C ATOM 271 CD2 PHE A 67 -2.426 2.535 -2.638 1.00 0.17 C ATOM 272 CE1 PHE A 67 -0.159 1.786 -4.006 1.00 0.19 C ATOM 273 CE2 PHE A 67 -1.814 1.341 -2.340 1.00 0.18 C ATOM 274 CZ PHE A 67 -0.675 0.961 -3.025 1.00 0.19 C ATOM 0 H PHE A 67 -3.957 6.527 -3.121 1.00 0.14 H new ATOM 0 HA PHE A 67 -1.555 5.484 -2.223 1.00 0.15 H new ATOM 0 HB2 PHE A 67 -3.655 4.579 -3.642 1.00 0.15 H new ATOM 0 HB3 PHE A 67 -2.557 4.852 -4.980 1.00 0.15 H new ATOM 0 HD1 PHE A 67 -0.379 3.626 -5.063 1.00 0.17 H new ATOM 0 HD2 PHE A 67 -3.315 2.827 -2.099 1.00 0.17 H new ATOM 0 HE1 PHE A 67 0.731 1.496 -4.545 1.00 0.19 H new ATOM 0 HE2 PHE A 67 -2.222 0.701 -1.572 1.00 0.18 H new ATOM 0 HZ PHE A 67 -0.191 0.024 -2.794 1.00 0.19 H new ATOM 284 N GLU A 68 -1.245 7.318 -4.924 1.00 0.18 N ATOM 285 CA GLU A 68 -0.298 8.055 -5.758 1.00 0.23 C ATOM 286 C GLU A 68 0.642 8.863 -4.911 1.00 0.19 C ATOM 287 O GLU A 68 1.846 8.796 -5.081 1.00 0.24 O ATOM 288 CB GLU A 68 -1.030 9.022 -6.658 1.00 0.40 C ATOM 289 CG GLU A 68 -2.203 8.406 -7.319 1.00 0.54 C ATOM 290 CD GLU A 68 -1.817 7.522 -8.488 1.00 1.13 C ATOM 291 OE1 GLU A 68 -1.680 8.047 -9.612 1.00 1.81 O ATOM 292 OE2 GLU A 68 -1.629 6.305 -8.290 1.00 1.39 O ATOM 0 H GLU A 68 -2.223 7.524 -5.128 1.00 0.18 H new ATOM 0 HA GLU A 68 0.254 7.321 -6.345 1.00 0.23 H new ATOM 0 HB2 GLU A 68 -1.357 9.881 -6.073 1.00 0.40 H new ATOM 0 HB3 GLU A 68 -0.344 9.396 -7.418 1.00 0.40 H new ATOM 0 HG2 GLU A 68 -2.758 7.816 -6.590 1.00 0.54 H new ATOM 0 HG3 GLU A 68 -2.873 9.192 -7.668 1.00 0.54 H new ATOM 299 N GLU A 69 0.071 9.633 -3.997 1.00 0.19 N ATOM 300 CA GLU A 69 0.861 10.528 -3.152 1.00 0.22 C ATOM 301 C GLU A 69 2.000 9.782 -2.454 1.00 0.20 C ATOM 302 O GLU A 69 3.098 10.317 -2.294 1.00 0.28 O ATOM 303 CB GLU A 69 -0.049 11.179 -2.124 1.00 0.26 C ATOM 304 CG GLU A 69 -1.191 11.941 -2.758 1.00 0.34 C ATOM 305 CD GLU A 69 -0.755 13.262 -3.354 1.00 1.02 C ATOM 306 OE1 GLU A 69 -0.219 14.110 -2.611 1.00 1.31 O ATOM 307 OE2 GLU A 69 -0.962 13.468 -4.569 1.00 1.78 O ATOM 0 H GLU A 69 -0.933 9.659 -3.819 1.00 0.19 H new ATOM 0 HA GLU A 69 1.311 11.293 -3.785 1.00 0.22 H new ATOM 0 HB2 GLU A 69 -0.452 10.412 -1.463 1.00 0.26 H new ATOM 0 HB3 GLU A 69 0.536 11.858 -1.504 1.00 0.26 H new ATOM 0 HG2 GLU A 69 -1.643 11.327 -3.537 1.00 0.34 H new ATOM 0 HG3 GLU A 69 -1.961 12.122 -2.008 1.00 0.34 H new ATOM 314 N PHE A 70 1.738 8.544 -2.063 1.00 0.15 N ATOM 315 CA PHE A 70 2.771 7.689 -1.491 1.00 0.13 C ATOM 316 C PHE A 70 3.781 7.297 -2.566 1.00 0.13 C ATOM 317 O PHE A 70 4.984 7.414 -2.371 1.00 0.14 O ATOM 318 CB PHE A 70 2.127 6.447 -0.880 1.00 0.12 C ATOM 319 CG PHE A 70 3.055 5.619 -0.035 1.00 0.11 C ATOM 320 CD1 PHE A 70 4.202 5.078 -0.575 1.00 0.11 C ATOM 321 CD2 PHE A 70 2.758 5.358 1.289 1.00 0.11 C ATOM 322 CE1 PHE A 70 5.040 4.288 0.181 1.00 0.11 C ATOM 323 CE2 PHE A 70 3.595 4.574 2.059 1.00 0.11 C ATOM 324 CZ PHE A 70 4.737 4.034 1.503 1.00 0.11 C ATOM 0 H PHE A 70 0.819 8.107 -2.131 1.00 0.15 H new ATOM 0 HA PHE A 70 3.298 8.233 -0.708 1.00 0.13 H new ATOM 0 HB2 PHE A 70 1.278 6.755 -0.270 1.00 0.12 H new ATOM 0 HB3 PHE A 70 1.733 5.824 -1.683 1.00 0.12 H new ATOM 0 HD1 PHE A 70 4.448 5.277 -1.608 1.00 0.11 H new ATOM 0 HD2 PHE A 70 1.861 5.772 1.727 1.00 0.11 H new ATOM 0 HE1 PHE A 70 5.932 3.868 -0.260 1.00 0.11 H new ATOM 0 HE2 PHE A 70 3.356 4.384 3.095 1.00 0.11 H new ATOM 0 HZ PHE A 70 5.391 3.415 2.100 1.00 0.11 H new ATOM 334 N LEU A 71 3.280 6.855 -3.702 1.00 0.14 N ATOM 335 CA LEU A 71 4.113 6.368 -4.790 1.00 0.15 C ATOM 336 C LEU A 71 4.965 7.453 -5.404 1.00 0.16 C ATOM 337 O LEU A 71 6.117 7.229 -5.756 1.00 0.18 O ATOM 338 CB LEU A 71 3.214 5.779 -5.841 1.00 0.17 C ATOM 339 CG LEU A 71 2.571 4.487 -5.416 1.00 0.18 C ATOM 340 CD1 LEU A 71 1.658 3.989 -6.498 1.00 0.22 C ATOM 341 CD2 LEU A 71 3.655 3.483 -5.103 1.00 0.16 C ATOM 0 H LEU A 71 2.280 6.822 -3.900 1.00 0.14 H new ATOM 0 HA LEU A 71 4.797 5.622 -4.387 1.00 0.15 H new ATOM 0 HB2 LEU A 71 2.435 6.500 -6.089 1.00 0.17 H new ATOM 0 HB3 LEU A 71 3.792 5.608 -6.749 1.00 0.17 H new ATOM 0 HG LEU A 71 1.968 4.642 -4.521 1.00 0.18 H new ATOM 0 HD11 LEU A 71 1.196 3.053 -6.183 1.00 0.22 H new ATOM 0 HD12 LEU A 71 0.882 4.730 -6.689 1.00 0.22 H new ATOM 0 HD13 LEU A 71 2.232 3.821 -7.410 1.00 0.22 H new ATOM 0 HD21 LEU A 71 3.201 2.542 -4.793 1.00 0.16 H new ATOM 0 HD22 LEU A 71 4.265 3.317 -5.991 1.00 0.16 H new ATOM 0 HD23 LEU A 71 4.283 3.865 -4.298 1.00 0.16 H new ATOM 353 N GLU A 72 4.379 8.613 -5.549 1.00 0.16 N ATOM 354 CA GLU A 72 5.062 9.760 -6.095 1.00 0.19 C ATOM 355 C GLU A 72 6.166 10.198 -5.150 1.00 0.18 C ATOM 356 O GLU A 72 7.195 10.723 -5.571 1.00 0.21 O ATOM 357 CB GLU A 72 4.047 10.851 -6.379 1.00 0.24 C ATOM 358 CG GLU A 72 3.000 10.386 -7.383 1.00 0.29 C ATOM 359 CD GLU A 72 3.568 10.211 -8.776 1.00 0.73 C ATOM 360 OE1 GLU A 72 4.295 11.110 -9.245 1.00 1.21 O ATOM 361 OE2 GLU A 72 3.314 9.157 -9.399 1.00 1.17 O ATOM 0 H GLU A 72 3.409 8.791 -5.290 1.00 0.16 H new ATOM 0 HA GLU A 72 5.544 9.513 -7.041 1.00 0.19 H new ATOM 0 HB2 GLU A 72 3.558 11.146 -5.451 1.00 0.24 H new ATOM 0 HB3 GLU A 72 4.557 11.734 -6.765 1.00 0.24 H new ATOM 0 HG2 GLU A 72 2.574 9.441 -7.047 1.00 0.29 H new ATOM 0 HG3 GLU A 72 2.185 11.110 -7.415 1.00 0.29 H new ATOM 368 N LEU A 73 5.939 9.969 -3.868 1.00 0.16 N ATOM 369 CA LEU A 73 6.972 10.109 -2.864 1.00 0.16 C ATOM 370 C LEU A 73 7.983 8.970 -2.997 1.00 0.15 C ATOM 371 O LEU A 73 9.190 9.192 -2.936 1.00 0.18 O ATOM 372 CB LEU A 73 6.323 10.092 -1.480 1.00 0.16 C ATOM 373 CG LEU A 73 7.257 9.814 -0.309 1.00 0.16 C ATOM 374 CD1 LEU A 73 7.499 11.077 0.499 1.00 0.23 C ATOM 375 CD2 LEU A 73 6.668 8.717 0.557 1.00 0.16 C ATOM 0 H LEU A 73 5.033 9.681 -3.497 1.00 0.16 H new ATOM 0 HA LEU A 73 7.500 11.053 -3.002 1.00 0.16 H new ATOM 0 HB2 LEU A 73 5.841 11.056 -1.314 1.00 0.16 H new ATOM 0 HB3 LEU A 73 5.536 9.338 -1.479 1.00 0.16 H new ATOM 0 HG LEU A 73 8.222 9.481 -0.692 1.00 0.16 H new ATOM 0 HD11 LEU A 73 8.169 10.855 1.330 1.00 0.23 H new ATOM 0 HD12 LEU A 73 7.952 11.836 -0.139 1.00 0.23 H new ATOM 0 HD13 LEU A 73 6.550 11.448 0.887 1.00 0.23 H new ATOM 0 HD21 LEU A 73 7.336 8.517 1.395 1.00 0.16 H new ATOM 0 HD22 LEU A 73 5.696 9.034 0.935 1.00 0.16 H new ATOM 0 HD23 LEU A 73 6.549 7.810 -0.036 1.00 0.16 H new ATOM 387 N CYS A 74 7.479 7.752 -3.202 1.00 0.13 N ATOM 388 CA CYS A 74 8.319 6.574 -3.334 1.00 0.13 C ATOM 389 C CYS A 74 9.256 6.708 -4.541 1.00 0.15 C ATOM 390 O CYS A 74 10.390 6.245 -4.503 1.00 0.18 O ATOM 391 CB CYS A 74 7.432 5.331 -3.460 1.00 0.16 C ATOM 392 SG CYS A 74 8.306 3.763 -3.294 1.00 0.50 S ATOM 0 H CYS A 74 6.480 7.561 -3.280 1.00 0.13 H new ATOM 0 HA CYS A 74 8.943 6.475 -2.446 1.00 0.13 H new ATOM 0 HB2 CYS A 74 6.652 5.379 -2.700 1.00 0.16 H new ATOM 0 HB3 CYS A 74 6.934 5.353 -4.429 1.00 0.16 H new ATOM 0 HG CYS A 74 9.448 3.835 -3.912 1.00 0.50 H new ATOM 398 N LYS A 75 8.778 7.366 -5.600 1.00 0.18 N ATOM 399 CA LYS A 75 9.588 7.675 -6.765 1.00 0.22 C ATOM 400 C LYS A 75 10.854 8.450 -6.395 1.00 0.22 C ATOM 401 O LYS A 75 11.865 8.387 -7.097 1.00 0.26 O ATOM 402 CB LYS A 75 8.772 8.496 -7.743 1.00 0.28 C ATOM 403 CG LYS A 75 8.527 7.742 -9.017 1.00 0.57 C ATOM 404 CD LYS A 75 7.379 6.764 -8.892 1.00 0.61 C ATOM 405 CE LYS A 75 6.024 7.458 -8.899 1.00 0.38 C ATOM 406 NZ LYS A 75 5.828 8.324 -10.092 1.00 0.96 N ATOM 0 H LYS A 75 7.816 7.697 -5.667 1.00 0.18 H new ATOM 0 HA LYS A 75 9.892 6.730 -7.216 1.00 0.22 H new ATOM 0 HB2 LYS A 75 7.819 8.765 -7.288 1.00 0.28 H new ATOM 0 HB3 LYS A 75 9.294 9.427 -7.964 1.00 0.28 H new ATOM 0 HG2 LYS A 75 8.314 8.448 -9.820 1.00 0.57 H new ATOM 0 HG3 LYS A 75 9.432 7.203 -9.298 1.00 0.57 H new ATOM 0 HD2 LYS A 75 7.423 6.049 -9.714 1.00 0.61 H new ATOM 0 HD3 LYS A 75 7.488 6.195 -7.969 1.00 0.61 H new ATOM 0 HE2 LYS A 75 5.235 6.706 -8.868 1.00 0.38 H new ATOM 0 HE3 LYS A 75 5.925 8.062 -7.997 1.00 0.38 H new ATOM 0 HZ1 LYS A 75 4.816 8.539 -10.202 1.00 0.96 H new ATOM 0 HZ2 LYS A 75 6.359 9.210 -9.969 1.00 0.96 H new ATOM 0 HZ3 LYS A 75 6.171 7.830 -10.940 1.00 0.96 H new ATOM 420 N MET A 76 10.790 9.182 -5.289 1.00 0.22 N ATOM 421 CA MET A 76 11.904 10.009 -4.857 1.00 0.26 C ATOM 422 C MET A 76 12.752 9.240 -3.864 1.00 0.25 C ATOM 423 O MET A 76 13.982 9.314 -3.871 1.00 0.32 O ATOM 424 CB MET A 76 11.404 11.297 -4.189 1.00 0.29 C ATOM 425 CG MET A 76 10.188 11.916 -4.848 1.00 0.27 C ATOM 426 SD MET A 76 9.784 13.543 -4.179 1.00 0.32 S ATOM 427 CE MET A 76 9.396 13.127 -2.482 1.00 0.35 C ATOM 0 H MET A 76 9.976 9.218 -4.676 1.00 0.22 H new ATOM 0 HA MET A 76 12.494 10.272 -5.735 1.00 0.26 H new ATOM 0 HB2 MET A 76 11.167 11.082 -3.147 1.00 0.29 H new ATOM 0 HB3 MET A 76 12.212 12.028 -4.188 1.00 0.29 H new ATOM 0 HG2 MET A 76 10.366 12.003 -5.920 1.00 0.27 H new ATOM 0 HG3 MET A 76 9.333 11.252 -4.719 1.00 0.27 H new ATOM 0 HE1 MET A 76 8.416 13.528 -2.224 1.00 0.35 H new ATOM 0 HE2 MET A 76 9.387 12.043 -2.366 1.00 0.35 H new ATOM 0 HE3 MET A 76 10.149 13.556 -1.821 1.00 0.35 H new ATOM 437 N GLN A 77 12.068 8.487 -3.019 1.00 0.21 N ATOM 438 CA GLN A 77 12.701 7.789 -1.918 1.00 0.22 C ATOM 439 C GLN A 77 13.403 6.528 -2.401 1.00 0.21 C ATOM 440 O GLN A 77 14.616 6.382 -2.251 1.00 0.24 O ATOM 441 CB GLN A 77 11.641 7.410 -0.887 1.00 0.23 C ATOM 442 CG GLN A 77 10.763 8.560 -0.413 1.00 0.30 C ATOM 443 CD GLN A 77 11.450 9.490 0.564 1.00 0.52 C ATOM 444 OE1 GLN A 77 12.661 9.692 0.517 1.00 0.98 O ATOM 445 NE2 GLN A 77 10.668 10.055 1.466 1.00 0.48 N ATOM 0 H GLN A 77 11.060 8.344 -3.079 1.00 0.21 H new ATOM 0 HA GLN A 77 13.445 8.450 -1.472 1.00 0.22 H new ATOM 0 HB2 GLN A 77 11.002 6.637 -1.313 1.00 0.23 H new ATOM 0 HB3 GLN A 77 12.138 6.972 -0.022 1.00 0.23 H new ATOM 0 HG2 GLN A 77 10.435 9.135 -1.279 1.00 0.30 H new ATOM 0 HG3 GLN A 77 9.868 8.152 0.056 1.00 0.30 H new ATOM 0 HE21 GLN A 77 9.667 9.859 1.468 1.00 0.48 H new ATOM 0 HE22 GLN A 77 11.065 10.688 2.161 1.00 0.48 H new ATOM 454 N THR A 78 12.639 5.630 -3.002 1.00 0.18 N ATOM 455 CA THR A 78 13.174 4.373 -3.482 1.00 0.20 C ATOM 456 C THR A 78 13.680 4.544 -4.902 1.00 0.22 C ATOM 457 O THR A 78 13.446 3.709 -5.769 1.00 0.24 O ATOM 458 CB THR A 78 12.112 3.260 -3.440 1.00 0.20 C ATOM 459 OG1 THR A 78 11.052 3.556 -4.356 1.00 0.56 O ATOM 460 CG2 THR A 78 11.545 3.117 -2.038 1.00 0.42 C ATOM 0 H THR A 78 11.640 5.753 -3.168 1.00 0.18 H new ATOM 0 HA THR A 78 13.996 4.081 -2.828 1.00 0.20 H new ATOM 0 HB THR A 78 12.587 2.322 -3.727 1.00 0.20 H new ATOM 0 HG1 THR A 78 10.982 4.527 -4.473 1.00 0.56 H new ATOM 0 HG21 THR A 78 10.796 2.325 -2.028 1.00 0.42 H new ATOM 0 HG22 THR A 78 12.348 2.866 -1.345 1.00 0.42 H new ATOM 0 HG23 THR A 78 11.084 4.057 -1.734 1.00 0.42 H new ATOM 468 N ALA A 79 14.366 5.646 -5.130 1.00 0.25 N ATOM 469 CA ALA A 79 14.907 5.956 -6.438 1.00 0.30 C ATOM 470 C ALA A 79 16.021 4.979 -6.795 1.00 0.34 C ATOM 471 O ALA A 79 16.296 4.725 -7.967 1.00 0.42 O ATOM 472 CB ALA A 79 15.404 7.386 -6.448 1.00 0.32 C ATOM 0 H ALA A 79 14.563 6.349 -4.418 1.00 0.25 H new ATOM 0 HA ALA A 79 14.126 5.854 -7.192 1.00 0.30 H new ATOM 0 HB1 ALA A 79 15.812 7.623 -7.431 1.00 0.32 H new ATOM 0 HB2 ALA A 79 14.577 8.060 -6.226 1.00 0.32 H new ATOM 0 HB3 ALA A 79 16.182 7.506 -5.694 1.00 0.32 H new ATOM 478 N ASP A 80 16.651 4.428 -5.762 1.00 0.35 N ATOM 479 CA ASP A 80 17.671 3.395 -5.929 1.00 0.44 C ATOM 480 C ASP A 80 17.036 2.067 -6.323 1.00 0.38 C ATOM 481 O ASP A 80 17.699 1.183 -6.863 1.00 0.44 O ATOM 482 CB ASP A 80 18.468 3.210 -4.636 1.00 0.59 C ATOM 483 CG ASP A 80 19.469 4.319 -4.385 1.00 1.31 C ATOM 484 OD1 ASP A 80 19.102 5.506 -4.502 1.00 2.29 O ATOM 485 OD2 ASP A 80 20.627 4.008 -4.039 1.00 1.68 O ATOM 0 H ASP A 80 16.471 4.682 -4.791 1.00 0.35 H new ATOM 0 HA ASP A 80 18.344 3.719 -6.723 1.00 0.44 H new ATOM 0 HB2 ASP A 80 17.776 3.157 -3.795 1.00 0.59 H new ATOM 0 HB3 ASP A 80 18.995 2.257 -4.675 1.00 0.59 H new ATOM 490 N HIS A 81 15.747 1.933 -6.047 1.00 0.35 N ATOM 491 CA HIS A 81 15.017 0.705 -6.339 1.00 0.39 C ATOM 492 C HIS A 81 13.624 1.022 -6.867 1.00 0.34 C ATOM 493 O HIS A 81 12.644 0.942 -6.124 1.00 0.30 O ATOM 494 CB HIS A 81 14.889 -0.174 -5.088 1.00 0.49 C ATOM 495 CG HIS A 81 16.118 -0.954 -4.748 1.00 0.86 C ATOM 496 ND1 HIS A 81 16.408 -2.174 -5.316 1.00 2.02 N ATOM 497 CD2 HIS A 81 17.121 -0.701 -3.874 1.00 0.60 C ATOM 498 CE1 HIS A 81 17.535 -2.636 -4.812 1.00 2.11 C ATOM 499 NE2 HIS A 81 17.988 -1.762 -3.937 1.00 1.12 N ATOM 0 H HIS A 81 15.180 2.665 -5.618 1.00 0.35 H new ATOM 0 HA HIS A 81 15.581 0.163 -7.098 1.00 0.39 H new ATOM 0 HB2 HIS A 81 14.630 0.460 -4.240 1.00 0.49 H new ATOM 0 HB3 HIS A 81 14.061 -0.869 -5.231 1.00 0.49 H new ATOM 0 HD1 HIS A 81 15.839 -2.647 -6.018 1.00 2.02 H new ATOM 0 HD2 HIS A 81 17.220 0.172 -3.246 1.00 0.60 H new ATOM 0 HE1 HIS A 81 18.007 -3.572 -5.072 1.00 2.11 H new ATOM 508 N PRO A 82 13.509 1.374 -8.160 1.00 0.39 N ATOM 509 CA PRO A 82 12.222 1.698 -8.791 1.00 0.39 C ATOM 510 C PRO A 82 11.321 0.471 -8.960 1.00 0.35 C ATOM 511 O PRO A 82 10.473 0.427 -9.844 1.00 0.39 O ATOM 512 CB PRO A 82 12.632 2.254 -10.152 1.00 0.50 C ATOM 513 CG PRO A 82 13.940 1.620 -10.442 1.00 0.53 C ATOM 514 CD PRO A 82 14.626 1.499 -9.115 1.00 0.48 C ATOM 0 HA PRO A 82 11.636 2.391 -8.187 1.00 0.39 H new ATOM 0 HB2 PRO A 82 11.896 2.009 -10.917 1.00 0.50 H new ATOM 0 HB3 PRO A 82 12.716 3.340 -10.126 1.00 0.50 H new ATOM 0 HG2 PRO A 82 13.809 0.643 -10.907 1.00 0.53 H new ATOM 0 HG3 PRO A 82 14.526 2.226 -11.133 1.00 0.53 H new ATOM 0 HD2 PRO A 82 15.283 0.630 -9.080 1.00 0.48 H new ATOM 0 HD3 PRO A 82 15.242 2.372 -8.900 1.00 0.48 H new ATOM 522 N GLU A 83 11.528 -0.521 -8.110 1.00 0.29 N ATOM 523 CA GLU A 83 10.736 -1.739 -8.114 1.00 0.26 C ATOM 524 C GLU A 83 9.524 -1.584 -7.195 1.00 0.19 C ATOM 525 O GLU A 83 8.459 -2.139 -7.454 1.00 0.22 O ATOM 526 CB GLU A 83 11.610 -2.907 -7.654 1.00 0.33 C ATOM 527 CG GLU A 83 12.914 -3.010 -8.428 1.00 0.49 C ATOM 528 CD GLU A 83 13.942 -3.893 -7.751 1.00 1.32 C ATOM 529 OE1 GLU A 83 13.905 -5.124 -7.955 1.00 1.72 O ATOM 530 OE2 GLU A 83 14.809 -3.354 -7.028 1.00 2.05 O ATOM 0 H GLU A 83 12.254 -0.504 -7.394 1.00 0.29 H new ATOM 0 HA GLU A 83 10.375 -1.936 -9.123 1.00 0.26 H new ATOM 0 HB2 GLU A 83 11.831 -2.793 -6.593 1.00 0.33 H new ATOM 0 HB3 GLU A 83 11.053 -3.837 -7.765 1.00 0.33 H new ATOM 0 HG2 GLU A 83 12.708 -3.402 -9.424 1.00 0.49 H new ATOM 0 HG3 GLU A 83 13.331 -2.012 -8.558 1.00 0.49 H new ATOM 537 N VAL A 84 9.710 -0.810 -6.129 1.00 0.15 N ATOM 538 CA VAL A 84 8.691 -0.608 -5.101 1.00 0.11 C ATOM 539 C VAL A 84 7.387 -0.032 -5.659 1.00 0.11 C ATOM 540 O VAL A 84 6.313 -0.597 -5.473 1.00 0.13 O ATOM 541 CB VAL A 84 9.194 0.383 -4.046 1.00 0.11 C ATOM 542 CG1 VAL A 84 8.246 0.400 -2.878 1.00 0.13 C ATOM 543 CG2 VAL A 84 10.612 0.061 -3.605 1.00 0.14 C ATOM 0 H VAL A 84 10.577 -0.302 -5.952 1.00 0.15 H new ATOM 0 HA VAL A 84 8.497 -1.594 -4.678 1.00 0.11 H new ATOM 0 HB VAL A 84 9.224 1.378 -4.490 1.00 0.11 H new ATOM 0 HG11 VAL A 84 8.605 1.105 -2.128 1.00 0.13 H new ATOM 0 HG12 VAL A 84 7.256 0.704 -3.217 1.00 0.13 H new ATOM 0 HG13 VAL A 84 8.189 -0.597 -2.441 1.00 0.13 H new ATOM 0 HG21 VAL A 84 10.934 0.785 -2.857 1.00 0.14 H new ATOM 0 HG22 VAL A 84 10.641 -0.941 -3.176 1.00 0.14 H new ATOM 0 HG23 VAL A 84 11.280 0.107 -4.465 1.00 0.14 H new ATOM 553 N VAL A 85 7.501 1.114 -6.315 1.00 0.11 N ATOM 554 CA VAL A 85 6.346 1.831 -6.868 1.00 0.13 C ATOM 555 C VAL A 85 5.497 0.935 -7.785 1.00 0.15 C ATOM 556 O VAL A 85 4.299 0.782 -7.548 1.00 0.16 O ATOM 557 CB VAL A 85 6.796 3.099 -7.626 1.00 0.15 C ATOM 558 CG1 VAL A 85 5.610 3.967 -8.003 1.00 0.18 C ATOM 559 CG2 VAL A 85 7.789 3.885 -6.789 1.00 0.15 C ATOM 0 H VAL A 85 8.394 1.578 -6.482 1.00 0.11 H new ATOM 0 HA VAL A 85 5.722 2.128 -6.025 1.00 0.13 H new ATOM 0 HB VAL A 85 7.283 2.786 -8.549 1.00 0.15 H new ATOM 0 HG11 VAL A 85 5.961 4.851 -8.535 1.00 0.18 H new ATOM 0 HG12 VAL A 85 4.935 3.401 -8.645 1.00 0.18 H new ATOM 0 HG13 VAL A 85 5.081 4.273 -7.100 1.00 0.18 H new ATOM 0 HG21 VAL A 85 8.099 4.777 -7.334 1.00 0.15 H new ATOM 0 HG22 VAL A 85 7.321 4.178 -5.849 1.00 0.15 H new ATOM 0 HG23 VAL A 85 8.661 3.265 -6.582 1.00 0.15 H new ATOM 569 N PRO A 86 6.089 0.325 -8.838 1.00 0.17 N ATOM 570 CA PRO A 86 5.369 -0.622 -9.702 1.00 0.20 C ATOM 571 C PRO A 86 4.794 -1.796 -8.915 1.00 0.18 C ATOM 572 O PRO A 86 3.749 -2.340 -9.272 1.00 0.20 O ATOM 573 CB PRO A 86 6.439 -1.121 -10.673 1.00 0.23 C ATOM 574 CG PRO A 86 7.478 -0.060 -10.675 1.00 0.22 C ATOM 575 CD PRO A 86 7.476 0.523 -9.290 1.00 0.17 C ATOM 0 HA PRO A 86 4.518 -0.149 -10.192 1.00 0.20 H new ATOM 0 HB2 PRO A 86 6.851 -2.077 -10.350 1.00 0.23 H new ATOM 0 HB3 PRO A 86 6.027 -1.273 -11.671 1.00 0.23 H new ATOM 0 HG2 PRO A 86 8.456 -0.472 -10.924 1.00 0.22 H new ATOM 0 HG3 PRO A 86 7.255 0.703 -11.420 1.00 0.22 H new ATOM 0 HD2 PRO A 86 8.187 0.014 -8.639 1.00 0.17 H new ATOM 0 HD3 PRO A 86 7.749 1.578 -9.298 1.00 0.17 H new ATOM 583 N PHE A 87 5.488 -2.184 -7.852 1.00 0.16 N ATOM 584 CA PHE A 87 5.030 -3.255 -6.979 1.00 0.15 C ATOM 585 C PHE A 87 3.744 -2.836 -6.270 1.00 0.14 C ATOM 586 O PHE A 87 2.726 -3.528 -6.355 1.00 0.16 O ATOM 587 CB PHE A 87 6.120 -3.592 -5.954 1.00 0.17 C ATOM 588 CG PHE A 87 5.873 -4.828 -5.131 1.00 0.21 C ATOM 589 CD1 PHE A 87 4.659 -5.497 -5.166 1.00 0.44 C ATOM 590 CD2 PHE A 87 6.874 -5.320 -4.317 1.00 0.21 C ATOM 591 CE1 PHE A 87 4.451 -6.626 -4.407 1.00 0.52 C ATOM 592 CE2 PHE A 87 6.673 -6.450 -3.555 1.00 0.25 C ATOM 593 CZ PHE A 87 5.461 -7.103 -3.601 1.00 0.38 C ATOM 0 H PHE A 87 6.377 -1.768 -7.573 1.00 0.16 H new ATOM 0 HA PHE A 87 4.824 -4.143 -7.577 1.00 0.15 H new ATOM 0 HB2 PHE A 87 7.067 -3.710 -6.481 1.00 0.17 H new ATOM 0 HB3 PHE A 87 6.235 -2.744 -5.279 1.00 0.17 H new ATOM 0 HD1 PHE A 87 3.865 -5.127 -5.798 1.00 0.44 H new ATOM 0 HD2 PHE A 87 7.827 -4.813 -4.277 1.00 0.21 H new ATOM 0 HE1 PHE A 87 3.500 -7.136 -4.443 1.00 0.52 H new ATOM 0 HE2 PHE A 87 7.465 -6.823 -2.922 1.00 0.25 H new ATOM 0 HZ PHE A 87 5.303 -7.989 -3.005 1.00 0.38 H new ATOM 603 N LEU A 88 3.794 -1.702 -5.579 1.00 0.12 N ATOM 604 CA LEU A 88 2.628 -1.185 -4.878 1.00 0.13 C ATOM 605 C LEU A 88 1.470 -0.983 -5.841 1.00 0.14 C ATOM 606 O LEU A 88 0.318 -1.286 -5.518 1.00 0.16 O ATOM 607 CB LEU A 88 2.960 0.128 -4.178 1.00 0.13 C ATOM 608 CG LEU A 88 3.966 0.024 -3.034 1.00 0.12 C ATOM 609 CD1 LEU A 88 3.990 1.327 -2.248 1.00 0.16 C ATOM 610 CD2 LEU A 88 3.623 -1.158 -2.136 1.00 0.20 C ATOM 0 H LEU A 88 4.630 -1.125 -5.490 1.00 0.12 H new ATOM 0 HA LEU A 88 2.334 -1.917 -4.126 1.00 0.13 H new ATOM 0 HB2 LEU A 88 3.349 0.827 -4.919 1.00 0.13 H new ATOM 0 HB3 LEU A 88 2.036 0.557 -3.789 1.00 0.13 H new ATOM 0 HG LEU A 88 4.962 -0.146 -3.443 1.00 0.12 H new ATOM 0 HD11 LEU A 88 4.709 1.247 -1.433 1.00 0.16 H new ATOM 0 HD12 LEU A 88 4.279 2.145 -2.908 1.00 0.16 H new ATOM 0 HD13 LEU A 88 2.999 1.524 -1.839 1.00 0.16 H new ATOM 0 HD21 LEU A 88 4.348 -1.221 -1.324 1.00 0.20 H new ATOM 0 HD22 LEU A 88 2.624 -1.022 -1.721 1.00 0.20 H new ATOM 0 HD23 LEU A 88 3.651 -2.078 -2.719 1.00 0.20 H new ATOM 622 N TYR A 89 1.788 -0.492 -7.033 1.00 0.16 N ATOM 623 CA TYR A 89 0.789 -0.325 -8.076 1.00 0.20 C ATOM 624 C TYR A 89 0.145 -1.660 -8.400 1.00 0.21 C ATOM 625 O TYR A 89 -1.077 -1.801 -8.383 1.00 0.25 O ATOM 626 CB TYR A 89 1.408 0.242 -9.359 1.00 0.22 C ATOM 627 CG TYR A 89 1.273 1.737 -9.511 1.00 0.26 C ATOM 628 CD1 TYR A 89 0.024 2.325 -9.653 1.00 0.34 C ATOM 629 CD2 TYR A 89 2.390 2.558 -9.518 1.00 0.28 C ATOM 630 CE1 TYR A 89 -0.109 3.691 -9.796 1.00 0.42 C ATOM 631 CE2 TYR A 89 2.267 3.925 -9.662 1.00 0.37 C ATOM 632 CZ TYR A 89 1.013 4.487 -9.801 1.00 0.43 C ATOM 633 OH TYR A 89 0.878 5.851 -9.938 1.00 0.54 O ATOM 0 H TYR A 89 2.729 -0.203 -7.299 1.00 0.16 H new ATOM 0 HA TYR A 89 0.042 0.376 -7.703 1.00 0.20 H new ATOM 0 HB2 TYR A 89 2.466 -0.019 -9.383 1.00 0.22 H new ATOM 0 HB3 TYR A 89 0.941 -0.241 -10.217 1.00 0.22 H new ATOM 0 HD1 TYR A 89 -0.859 1.703 -9.652 1.00 0.34 H new ATOM 0 HD2 TYR A 89 3.372 2.121 -9.409 1.00 0.28 H new ATOM 0 HE1 TYR A 89 -1.089 4.133 -9.903 1.00 0.42 H new ATOM 0 HE2 TYR A 89 3.146 4.552 -9.666 1.00 0.37 H new ATOM 0 HH TYR A 89 0.022 6.135 -9.554 1.00 0.54 H new ATOM 643 N ASN A 90 0.995 -2.645 -8.647 1.00 0.19 N ATOM 644 CA ASN A 90 0.565 -3.958 -9.083 1.00 0.23 C ATOM 645 C ASN A 90 -0.320 -4.615 -8.039 1.00 0.22 C ATOM 646 O ASN A 90 -1.405 -5.107 -8.350 1.00 0.27 O ATOM 647 CB ASN A 90 1.785 -4.826 -9.341 1.00 0.27 C ATOM 648 CG ASN A 90 1.462 -6.041 -10.175 1.00 0.48 C ATOM 649 OD1 ASN A 90 1.560 -6.010 -11.399 1.00 1.33 O ATOM 650 ND2 ASN A 90 1.076 -7.118 -9.517 1.00 0.67 N ATOM 0 H ASN A 90 2.006 -2.552 -8.549 1.00 0.19 H new ATOM 0 HA ASN A 90 -0.014 -3.848 -10.000 1.00 0.23 H new ATOM 0 HB2 ASN A 90 2.548 -4.234 -9.847 1.00 0.27 H new ATOM 0 HB3 ASN A 90 2.208 -5.145 -8.389 1.00 0.27 H new ATOM 0 HD21 ASN A 90 0.845 -7.971 -10.026 1.00 0.67 H new ATOM 0 HD22 ASN A 90 1.009 -7.097 -8.499 1.00 0.67 H new ATOM 657 N ARG A 91 0.142 -4.599 -6.796 1.00 0.19 N ATOM 658 CA ARG A 91 -0.584 -5.215 -5.694 1.00 0.20 C ATOM 659 C ARG A 91 -1.966 -4.587 -5.543 1.00 0.20 C ATOM 660 O ARG A 91 -2.943 -5.283 -5.283 1.00 0.22 O ATOM 661 CB ARG A 91 0.212 -5.071 -4.393 1.00 0.22 C ATOM 662 CG ARG A 91 -0.502 -5.613 -3.162 1.00 0.26 C ATOM 663 CD ARG A 91 -0.677 -7.117 -3.209 1.00 0.36 C ATOM 664 NE ARG A 91 0.616 -7.811 -3.131 1.00 0.80 N ATOM 665 CZ ARG A 91 0.835 -9.076 -3.502 1.00 0.73 C ATOM 666 NH1 ARG A 91 -0.120 -9.791 -4.082 1.00 1.38 N ATOM 667 NH2 ARG A 91 2.022 -9.636 -3.300 1.00 1.25 N ATOM 0 H ARG A 91 1.023 -4.163 -6.525 1.00 0.19 H new ATOM 0 HA ARG A 91 -0.712 -6.275 -5.913 1.00 0.20 H new ATOM 0 HB2 ARG A 91 1.165 -5.588 -4.504 1.00 0.22 H new ATOM 0 HB3 ARG A 91 0.438 -4.017 -4.233 1.00 0.22 H new ATOM 0 HG2 ARG A 91 0.063 -5.344 -2.270 1.00 0.26 H new ATOM 0 HG3 ARG A 91 -1.480 -5.139 -3.075 1.00 0.26 H new ATOM 0 HD2 ARG A 91 -1.313 -7.437 -2.384 1.00 0.36 H new ATOM 0 HD3 ARG A 91 -1.187 -7.397 -4.131 1.00 0.36 H new ATOM 0 HE ARG A 91 1.410 -7.285 -2.764 1.00 0.80 H new ATOM 0 HH11 ARG A 91 -1.037 -9.376 -4.250 1.00 1.38 H new ATOM 0 HH12 ARG A 91 0.062 -10.755 -4.360 1.00 1.38 H new ATOM 0 HH21 ARG A 91 2.770 -9.100 -2.860 1.00 1.25 H new ATOM 0 HH22 ARG A 91 2.185 -10.602 -3.585 1.00 1.25 H new ATOM 681 N GLN A 92 -2.042 -3.274 -5.736 1.00 0.19 N ATOM 682 CA GLN A 92 -3.306 -2.552 -5.617 1.00 0.21 C ATOM 683 C GLN A 92 -4.255 -2.934 -6.744 1.00 0.24 C ATOM 684 O GLN A 92 -5.470 -2.987 -6.560 1.00 0.26 O ATOM 685 CB GLN A 92 -3.077 -1.042 -5.639 1.00 0.23 C ATOM 686 CG GLN A 92 -4.341 -0.247 -5.375 1.00 0.34 C ATOM 687 CD GLN A 92 -4.209 1.209 -5.756 1.00 0.45 C ATOM 688 OE1 GLN A 92 -3.465 1.562 -6.669 1.00 0.71 O ATOM 689 NE2 GLN A 92 -4.937 2.063 -5.057 1.00 0.78 N ATOM 0 H GLN A 92 -1.243 -2.687 -5.976 1.00 0.19 H new ATOM 0 HA GLN A 92 -3.753 -2.830 -4.663 1.00 0.21 H new ATOM 0 HB2 GLN A 92 -2.328 -0.783 -4.890 1.00 0.23 H new ATOM 0 HB3 GLN A 92 -2.670 -0.756 -6.609 1.00 0.23 H new ATOM 0 HG2 GLN A 92 -5.166 -0.690 -5.933 1.00 0.34 H new ATOM 0 HG3 GLN A 92 -4.596 -0.319 -4.318 1.00 0.34 H new ATOM 0 HE21 GLN A 92 -5.541 1.725 -4.308 1.00 0.78 H new ATOM 0 HE22 GLN A 92 -4.895 3.060 -5.267 1.00 0.78 H new ATOM 698 N GLN A 93 -3.685 -3.180 -7.914 1.00 0.26 N ATOM 699 CA GLN A 93 -4.466 -3.533 -9.095 1.00 0.32 C ATOM 700 C GLN A 93 -5.147 -4.876 -8.901 1.00 0.34 C ATOM 701 O GLN A 93 -6.279 -5.082 -9.335 1.00 0.40 O ATOM 702 CB GLN A 93 -3.577 -3.596 -10.342 1.00 0.36 C ATOM 703 CG GLN A 93 -2.867 -2.302 -10.676 1.00 0.38 C ATOM 704 CD GLN A 93 -3.811 -1.134 -10.790 1.00 0.44 C ATOM 705 OE1 GLN A 93 -4.343 -0.839 -11.861 1.00 0.71 O ATOM 706 NE2 GLN A 93 -4.008 -0.458 -9.682 1.00 0.57 N ATOM 0 H GLN A 93 -2.678 -3.142 -8.074 1.00 0.26 H new ATOM 0 HA GLN A 93 -5.221 -2.759 -9.235 1.00 0.32 H new ATOM 0 HB2 GLN A 93 -2.831 -4.378 -10.201 1.00 0.36 H new ATOM 0 HB3 GLN A 93 -4.190 -3.889 -11.194 1.00 0.36 H new ATOM 0 HG2 GLN A 93 -2.125 -2.090 -9.906 1.00 0.38 H new ATOM 0 HG3 GLN A 93 -2.327 -2.421 -11.615 1.00 0.38 H new ATOM 0 HE21 GLN A 93 -3.543 -0.744 -8.820 1.00 0.57 H new ATOM 0 HE22 GLN A 93 -4.626 0.353 -9.683 1.00 0.57 H new ATOM 715 N ARG A 94 -4.445 -5.793 -8.255 1.00 0.33 N ATOM 716 CA ARG A 94 -4.974 -7.121 -8.010 1.00 0.38 C ATOM 717 C ARG A 94 -5.690 -7.191 -6.669 1.00 0.32 C ATOM 718 O ARG A 94 -6.282 -8.213 -6.323 1.00 0.46 O ATOM 719 CB ARG A 94 -3.859 -8.159 -8.083 1.00 0.47 C ATOM 720 CG ARG A 94 -3.393 -8.421 -9.501 1.00 0.70 C ATOM 721 CD ARG A 94 -2.370 -7.406 -9.981 1.00 0.95 C ATOM 722 NE ARG A 94 -1.826 -7.767 -11.288 1.00 1.67 N ATOM 723 CZ ARG A 94 -1.370 -6.890 -12.185 1.00 2.40 C ATOM 724 NH1 ARG A 94 -1.458 -5.585 -11.959 1.00 2.73 N ATOM 725 NH2 ARG A 94 -0.833 -7.318 -13.318 1.00 3.24 N ATOM 0 H ARG A 94 -3.505 -5.639 -7.891 1.00 0.33 H new ATOM 0 HA ARG A 94 -5.706 -7.342 -8.787 1.00 0.38 H new ATOM 0 HB2 ARG A 94 -3.014 -7.820 -7.484 1.00 0.47 H new ATOM 0 HB3 ARG A 94 -4.208 -9.093 -7.642 1.00 0.47 H new ATOM 0 HG2 ARG A 94 -2.961 -9.420 -9.558 1.00 0.70 H new ATOM 0 HG3 ARG A 94 -4.254 -8.407 -10.170 1.00 0.70 H new ATOM 0 HD2 ARG A 94 -2.833 -6.421 -10.039 1.00 0.95 H new ATOM 0 HD3 ARG A 94 -1.559 -7.335 -9.256 1.00 0.95 H new ATOM 0 HE ARG A 94 -1.792 -8.757 -11.532 1.00 1.67 H new ATOM 0 HH11 ARG A 94 -1.877 -5.244 -11.094 1.00 2.73 H new ATOM 0 HH12 ARG A 94 -1.107 -4.923 -12.651 1.00 2.73 H new ATOM 0 HH21 ARG A 94 -0.768 -8.318 -13.505 1.00 3.24 H new ATOM 0 HH22 ARG A 94 -0.485 -6.647 -14.003 1.00 3.24 H new ATOM 739 N ALA A 95 -5.623 -6.107 -5.918 1.00 0.28 N ATOM 740 CA ALA A 95 -6.370 -5.984 -4.687 1.00 0.25 C ATOM 741 C ALA A 95 -7.831 -5.662 -5.013 1.00 0.26 C ATOM 742 O ALA A 95 -8.128 -5.108 -6.075 1.00 0.36 O ATOM 743 CB ALA A 95 -5.722 -4.916 -3.821 1.00 0.25 C ATOM 0 H ALA A 95 -5.052 -5.293 -6.145 1.00 0.28 H new ATOM 0 HA ALA A 95 -6.358 -6.919 -4.128 1.00 0.25 H new ATOM 0 HB1 ALA A 95 -6.279 -4.816 -2.889 1.00 0.25 H new ATOM 0 HB2 ALA A 95 -4.693 -5.201 -3.600 1.00 0.25 H new ATOM 0 HB3 ALA A 95 -5.728 -3.964 -4.352 1.00 0.25 H new ATOM 749 N HIS A 96 -8.736 -6.013 -4.108 1.00 0.29 N ATOM 750 CA HIS A 96 -10.171 -5.938 -4.379 1.00 0.29 C ATOM 751 C HIS A 96 -10.680 -4.508 -4.241 1.00 0.27 C ATOM 752 O HIS A 96 -10.519 -3.879 -3.193 1.00 0.29 O ATOM 753 CB HIS A 96 -10.937 -6.856 -3.430 1.00 0.33 C ATOM 754 CG HIS A 96 -12.331 -7.157 -3.875 1.00 0.37 C ATOM 755 ND1 HIS A 96 -13.385 -6.341 -3.551 1.00 0.38 N ATOM 756 CD2 HIS A 96 -12.780 -8.197 -4.609 1.00 0.45 C ATOM 757 CE1 HIS A 96 -14.452 -6.901 -4.098 1.00 0.46 C ATOM 758 NE2 HIS A 96 -14.135 -8.030 -4.748 1.00 0.50 N ATOM 0 H HIS A 96 -8.503 -6.354 -3.175 1.00 0.29 H new ATOM 0 HA HIS A 96 -10.337 -6.265 -5.406 1.00 0.29 H new ATOM 0 HB2 HIS A 96 -10.389 -7.792 -3.325 1.00 0.33 H new ATOM 0 HB3 HIS A 96 -10.972 -6.395 -2.443 1.00 0.33 H new ATOM 0 HD2 HIS A 96 -12.187 -9.005 -5.010 1.00 0.45 H new ATOM 0 HE1 HIS A 96 -15.452 -6.499 -4.029 1.00 0.46 H new ATOM 0 HE2 HIS A 96 -14.776 -8.645 -5.249 1.00 0.50 H new ATOM 766 N SER A 97 -11.333 -4.035 -5.294 1.00 0.32 N ATOM 767 CA SER A 97 -11.743 -2.641 -5.425 1.00 0.37 C ATOM 768 C SER A 97 -12.638 -2.142 -4.283 1.00 0.33 C ATOM 769 O SER A 97 -12.669 -0.943 -4.010 1.00 0.39 O ATOM 770 CB SER A 97 -12.453 -2.463 -6.765 1.00 0.48 C ATOM 771 OG SER A 97 -13.328 -3.555 -7.020 1.00 1.46 O ATOM 0 H SER A 97 -11.597 -4.614 -6.091 1.00 0.32 H new ATOM 0 HA SER A 97 -10.838 -2.035 -5.374 1.00 0.37 H new ATOM 0 HB2 SER A 97 -13.018 -1.531 -6.762 1.00 0.48 H new ATOM 0 HB3 SER A 97 -11.717 -2.386 -7.565 1.00 0.48 H new ATOM 0 HG SER A 97 -13.775 -3.422 -7.882 1.00 1.46 H new ATOM 777 N LEU A 98 -13.347 -3.041 -3.605 1.00 0.29 N ATOM 778 CA LEU A 98 -14.285 -2.625 -2.575 1.00 0.32 C ATOM 779 C LEU A 98 -13.558 -2.094 -1.350 1.00 0.35 C ATOM 780 O LEU A 98 -13.856 -1.004 -0.860 1.00 0.43 O ATOM 781 CB LEU A 98 -15.203 -3.779 -2.189 1.00 0.35 C ATOM 782 CG LEU A 98 -16.268 -4.126 -3.226 1.00 0.40 C ATOM 783 CD1 LEU A 98 -17.202 -5.199 -2.690 1.00 0.70 C ATOM 784 CD2 LEU A 98 -17.050 -2.883 -3.619 1.00 0.67 C ATOM 0 H LEU A 98 -13.289 -4.049 -3.750 1.00 0.29 H new ATOM 0 HA LEU A 98 -14.892 -1.817 -2.983 1.00 0.32 H new ATOM 0 HB2 LEU A 98 -14.593 -4.664 -2.005 1.00 0.35 H new ATOM 0 HB3 LEU A 98 -15.698 -3.532 -1.250 1.00 0.35 H new ATOM 0 HG LEU A 98 -15.772 -4.516 -4.115 1.00 0.40 H new ATOM 0 HD11 LEU A 98 -17.955 -5.434 -3.442 1.00 0.70 H new ATOM 0 HD12 LEU A 98 -16.629 -6.097 -2.457 1.00 0.70 H new ATOM 0 HD13 LEU A 98 -17.692 -4.836 -1.787 1.00 0.70 H new ATOM 0 HD21 LEU A 98 -17.805 -3.147 -4.359 1.00 0.67 H new ATOM 0 HD22 LEU A 98 -17.536 -2.465 -2.737 1.00 0.67 H new ATOM 0 HD23 LEU A 98 -16.370 -2.144 -4.043 1.00 0.67 H new ATOM 796 N PHE A 99 -12.599 -2.867 -0.863 1.00 0.32 N ATOM 797 CA PHE A 99 -11.769 -2.443 0.255 1.00 0.34 C ATOM 798 C PHE A 99 -11.023 -1.160 -0.097 1.00 0.34 C ATOM 799 O PHE A 99 -10.926 -0.236 0.714 1.00 0.39 O ATOM 800 CB PHE A 99 -10.783 -3.557 0.624 1.00 0.36 C ATOM 801 CG PHE A 99 -9.621 -3.102 1.464 1.00 0.31 C ATOM 802 CD1 PHE A 99 -9.810 -2.664 2.764 1.00 0.44 C ATOM 803 CD2 PHE A 99 -8.335 -3.109 0.943 1.00 0.38 C ATOM 804 CE1 PHE A 99 -8.739 -2.244 3.527 1.00 0.57 C ATOM 805 CE2 PHE A 99 -7.263 -2.690 1.702 1.00 0.49 C ATOM 806 CZ PHE A 99 -7.466 -2.256 2.996 1.00 0.58 C ATOM 0 H PHE A 99 -12.376 -3.794 -1.226 1.00 0.32 H new ATOM 0 HA PHE A 99 -12.407 -2.242 1.116 1.00 0.34 H new ATOM 0 HB2 PHE A 99 -11.320 -4.339 1.161 1.00 0.36 H new ATOM 0 HB3 PHE A 99 -10.400 -4.006 -0.293 1.00 0.36 H new ATOM 0 HD1 PHE A 99 -10.805 -2.651 3.185 1.00 0.44 H new ATOM 0 HD2 PHE A 99 -8.172 -3.447 -0.070 1.00 0.38 H new ATOM 0 HE1 PHE A 99 -8.898 -1.906 4.540 1.00 0.57 H new ATOM 0 HE2 PHE A 99 -6.267 -2.701 1.285 1.00 0.49 H new ATOM 0 HZ PHE A 99 -6.629 -1.926 3.593 1.00 0.58 H new ATOM 816 N LEU A 100 -10.525 -1.107 -1.323 1.00 0.31 N ATOM 817 CA LEU A 100 -9.758 0.035 -1.805 1.00 0.36 C ATOM 818 C LEU A 100 -10.631 1.287 -1.918 1.00 0.45 C ATOM 819 O LEU A 100 -10.125 2.403 -1.973 1.00 0.79 O ATOM 820 CB LEU A 100 -9.151 -0.307 -3.165 1.00 0.37 C ATOM 821 CG LEU A 100 -8.534 -1.701 -3.250 1.00 0.35 C ATOM 822 CD1 LEU A 100 -8.120 -2.025 -4.668 1.00 0.82 C ATOM 823 CD2 LEU A 100 -7.348 -1.834 -2.319 1.00 0.70 C ATOM 0 H LEU A 100 -10.640 -1.851 -2.011 1.00 0.31 H new ATOM 0 HA LEU A 100 -8.966 0.249 -1.088 1.00 0.36 H new ATOM 0 HB2 LEU A 100 -9.925 -0.219 -3.927 1.00 0.37 H new ATOM 0 HB3 LEU A 100 -8.385 0.431 -3.403 1.00 0.37 H new ATOM 0 HG LEU A 100 -9.297 -2.414 -2.938 1.00 0.35 H new ATOM 0 HD11 LEU A 100 -7.684 -3.023 -4.701 1.00 0.82 H new ATOM 0 HD12 LEU A 100 -8.993 -1.989 -5.319 1.00 0.82 H new ATOM 0 HD13 LEU A 100 -7.384 -1.296 -5.008 1.00 0.82 H new ATOM 0 HD21 LEU A 100 -6.931 -2.837 -2.402 1.00 0.70 H new ATOM 0 HD22 LEU A 100 -6.588 -1.101 -2.591 1.00 0.70 H new ATOM 0 HD23 LEU A 100 -7.670 -1.659 -1.292 1.00 0.70 H new ATOM 835 N ALA A 101 -11.942 1.096 -1.957 1.00 0.28 N ATOM 836 CA ALA A 101 -12.878 2.213 -2.063 1.00 0.33 C ATOM 837 C ALA A 101 -13.628 2.457 -0.751 1.00 0.36 C ATOM 838 O ALA A 101 -14.779 2.896 -0.755 1.00 0.57 O ATOM 839 CB ALA A 101 -13.864 1.959 -3.192 1.00 0.36 C ATOM 0 H ALA A 101 -12.385 0.178 -1.917 1.00 0.28 H new ATOM 0 HA ALA A 101 -12.299 3.111 -2.280 1.00 0.33 H new ATOM 0 HB1 ALA A 101 -14.558 2.796 -3.264 1.00 0.36 H new ATOM 0 HB2 ALA A 101 -13.322 1.855 -4.132 1.00 0.36 H new ATOM 0 HB3 ALA A 101 -14.420 1.043 -2.990 1.00 0.36 H new ATOM 845 N SER A 102 -12.964 2.208 0.367 1.00 0.34 N ATOM 846 CA SER A 102 -13.592 2.317 1.674 1.00 0.36 C ATOM 847 C SER A 102 -12.739 3.152 2.623 1.00 0.36 C ATOM 848 O SER A 102 -11.568 3.434 2.342 1.00 0.46 O ATOM 849 CB SER A 102 -13.828 0.920 2.253 1.00 0.40 C ATOM 850 OG SER A 102 -14.708 0.171 1.430 1.00 1.39 O ATOM 0 H SER A 102 -11.984 1.927 0.395 1.00 0.34 H new ATOM 0 HA SER A 102 -14.551 2.821 1.557 1.00 0.36 H new ATOM 0 HB2 SER A 102 -12.877 0.396 2.346 1.00 0.40 H new ATOM 0 HB3 SER A 102 -14.246 1.004 3.256 1.00 0.40 H new ATOM 0 HG SER A 102 -14.260 -0.048 0.587 1.00 1.39 H new ATOM 856 N ALA A 103 -13.334 3.545 3.743 1.00 0.35 N ATOM 857 CA ALA A 103 -12.652 4.357 4.744 1.00 0.36 C ATOM 858 C ALA A 103 -11.545 3.570 5.400 1.00 0.29 C ATOM 859 O ALA A 103 -10.557 4.132 5.874 1.00 0.30 O ATOM 860 CB ALA A 103 -13.627 4.825 5.802 1.00 0.44 C ATOM 0 H ALA A 103 -14.298 3.311 3.982 1.00 0.35 H new ATOM 0 HA ALA A 103 -12.226 5.224 4.239 1.00 0.36 H new ATOM 0 HB1 ALA A 103 -13.100 5.429 6.540 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -14.410 5.423 5.336 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -14.074 3.960 6.293 1.00 0.44 H new ATOM 866 N GLU A 104 -11.728 2.262 5.424 1.00 0.29 N ATOM 867 CA GLU A 104 -10.752 1.362 6.001 1.00 0.30 C ATOM 868 C GLU A 104 -9.387 1.599 5.360 1.00 0.26 C ATOM 869 O GLU A 104 -8.403 1.883 6.041 1.00 0.30 O ATOM 870 CB GLU A 104 -11.199 -0.083 5.783 1.00 0.39 C ATOM 871 CG GLU A 104 -10.233 -1.120 6.325 1.00 0.49 C ATOM 872 CD GLU A 104 -10.244 -1.211 7.836 1.00 1.02 C ATOM 873 OE1 GLU A 104 -11.211 -1.778 8.393 1.00 1.15 O ATOM 874 OE2 GLU A 104 -9.281 -0.742 8.473 1.00 1.81 O ATOM 0 H GLU A 104 -12.554 1.798 5.046 1.00 0.29 H new ATOM 0 HA GLU A 104 -10.671 1.550 7.072 1.00 0.30 H new ATOM 0 HB2 GLU A 104 -12.171 -0.226 6.255 1.00 0.39 H new ATOM 0 HB3 GLU A 104 -11.335 -0.252 4.715 1.00 0.39 H new ATOM 0 HG2 GLU A 104 -10.484 -2.095 5.907 1.00 0.49 H new ATOM 0 HG3 GLU A 104 -9.225 -0.879 5.989 1.00 0.49 H new ATOM 881 N PHE A 105 -9.357 1.532 4.033 1.00 0.22 N ATOM 882 CA PHE A 105 -8.129 1.724 3.276 1.00 0.20 C ATOM 883 C PHE A 105 -7.671 3.181 3.348 1.00 0.19 C ATOM 884 O PHE A 105 -6.477 3.472 3.259 1.00 0.16 O ATOM 885 CB PHE A 105 -8.349 1.292 1.824 1.00 0.21 C ATOM 886 CG PHE A 105 -7.084 1.190 1.026 1.00 0.18 C ATOM 887 CD1 PHE A 105 -5.967 0.579 1.566 1.00 0.18 C ATOM 888 CD2 PHE A 105 -7.015 1.698 -0.261 1.00 0.18 C ATOM 889 CE1 PHE A 105 -4.799 0.479 0.840 1.00 0.17 C ATOM 890 CE2 PHE A 105 -5.849 1.599 -0.996 1.00 0.17 C ATOM 891 CZ PHE A 105 -4.739 0.990 -0.443 1.00 0.16 C ATOM 0 H PHE A 105 -10.178 1.344 3.457 1.00 0.22 H new ATOM 0 HA PHE A 105 -7.342 1.108 3.712 1.00 0.20 H new ATOM 0 HB2 PHE A 105 -8.853 0.325 1.814 1.00 0.21 H new ATOM 0 HB3 PHE A 105 -9.017 2.004 1.340 1.00 0.21 H new ATOM 0 HD1 PHE A 105 -6.010 0.176 2.567 1.00 0.18 H new ATOM 0 HD2 PHE A 105 -7.881 2.176 -0.694 1.00 0.18 H new ATOM 0 HE1 PHE A 105 -3.932 0.002 1.273 1.00 0.17 H new ATOM 0 HE2 PHE A 105 -5.806 1.996 -1.999 1.00 0.17 H new ATOM 0 HZ PHE A 105 -3.825 0.913 -1.013 1.00 0.16 H new ATOM 901 N CYS A 106 -8.623 4.091 3.533 1.00 0.27 N ATOM 902 CA CYS A 106 -8.309 5.510 3.658 1.00 0.27 C ATOM 903 C CYS A 106 -7.447 5.752 4.894 1.00 0.27 C ATOM 904 O CYS A 106 -6.482 6.514 4.846 1.00 0.28 O ATOM 905 CB CYS A 106 -9.591 6.346 3.727 1.00 0.29 C ATOM 906 SG CYS A 106 -9.313 8.134 3.784 1.00 0.59 S ATOM 0 H CYS A 106 -9.617 3.871 3.600 1.00 0.27 H new ATOM 0 HA CYS A 106 -7.750 5.818 2.775 1.00 0.27 H new ATOM 0 HB2 CYS A 106 -10.209 6.114 2.860 1.00 0.29 H new ATOM 0 HB3 CYS A 106 -10.157 6.050 4.610 1.00 0.29 H new ATOM 0 HG CYS A 106 -10.457 8.749 3.839 1.00 0.59 H new ATOM 912 N ASN A 107 -7.795 5.088 5.996 1.00 0.28 N ATOM 913 CA ASN A 107 -6.975 5.121 7.208 1.00 0.30 C ATOM 914 C ASN A 107 -5.576 4.639 6.903 1.00 0.24 C ATOM 915 O ASN A 107 -4.602 5.316 7.200 1.00 0.23 O ATOM 916 CB ASN A 107 -7.569 4.234 8.299 1.00 0.37 C ATOM 917 CG ASN A 107 -8.726 4.885 9.036 1.00 0.46 C ATOM 918 OD1 ASN A 107 -8.522 5.576 10.034 1.00 0.78 O ATOM 919 ND2 ASN A 107 -9.946 4.667 8.567 1.00 0.64 N ATOM 0 H ASN A 107 -8.639 4.521 6.075 1.00 0.28 H new ATOM 0 HA ASN A 107 -6.949 6.152 7.560 1.00 0.30 H new ATOM 0 HB2 ASN A 107 -7.911 3.300 7.853 1.00 0.37 H new ATOM 0 HB3 ASN A 107 -6.788 3.978 9.015 1.00 0.37 H new ATOM 0 HD21 ASN A 107 -10.754 5.077 9.036 1.00 0.64 H new ATOM 0 HD22 ASN A 107 -10.078 4.089 7.737 1.00 0.64 H new ATOM 926 N ILE A 108 -5.497 3.469 6.296 1.00 0.21 N ATOM 927 CA ILE A 108 -4.227 2.871 5.929 1.00 0.17 C ATOM 928 C ILE A 108 -3.377 3.843 5.119 1.00 0.12 C ATOM 929 O ILE A 108 -2.243 4.141 5.483 1.00 0.12 O ATOM 930 CB ILE A 108 -4.463 1.575 5.123 1.00 0.17 C ATOM 931 CG1 ILE A 108 -4.581 0.371 6.057 1.00 0.23 C ATOM 932 CG2 ILE A 108 -3.388 1.347 4.074 1.00 0.14 C ATOM 933 CD1 ILE A 108 -5.902 0.306 6.778 1.00 0.39 C ATOM 0 H ILE A 108 -6.310 2.907 6.044 1.00 0.21 H new ATOM 0 HA ILE A 108 -3.688 2.630 6.845 1.00 0.17 H new ATOM 0 HB ILE A 108 -5.406 1.694 4.590 1.00 0.17 H new ATOM 0 HG12 ILE A 108 -4.444 -0.543 5.480 1.00 0.23 H new ATOM 0 HG13 ILE A 108 -3.776 0.408 6.791 1.00 0.23 H new ATOM 0 HG21 ILE A 108 -3.597 0.424 3.533 1.00 0.14 H new ATOM 0 HG22 ILE A 108 -3.379 2.183 3.375 1.00 0.14 H new ATOM 0 HG23 ILE A 108 -2.416 1.270 4.560 1.00 0.14 H new ATOM 0 HD11 ILE A 108 -5.921 -0.571 7.424 1.00 0.39 H new ATOM 0 HD12 ILE A 108 -6.032 1.204 7.382 1.00 0.39 H new ATOM 0 HD13 ILE A 108 -6.711 0.238 6.050 1.00 0.39 H new ATOM 945 N LEU A 109 -3.951 4.358 4.046 1.00 0.12 N ATOM 946 CA LEU A 109 -3.242 5.257 3.151 1.00 0.12 C ATOM 947 C LEU A 109 -2.843 6.554 3.830 1.00 0.13 C ATOM 948 O LEU A 109 -1.671 6.925 3.814 1.00 0.13 O ATOM 949 CB LEU A 109 -4.094 5.545 1.933 1.00 0.15 C ATOM 950 CG LEU A 109 -3.942 4.516 0.830 1.00 0.16 C ATOM 951 CD1 LEU A 109 -5.020 4.692 -0.206 1.00 0.18 C ATOM 952 CD2 LEU A 109 -2.574 4.649 0.196 1.00 0.17 C ATOM 0 H LEU A 109 -4.915 4.167 3.771 1.00 0.12 H new ATOM 0 HA LEU A 109 -2.321 4.759 2.848 1.00 0.12 H new ATOM 0 HB2 LEU A 109 -5.141 5.591 2.234 1.00 0.15 H new ATOM 0 HB3 LEU A 109 -3.832 6.528 1.541 1.00 0.15 H new ATOM 0 HG LEU A 109 -4.041 3.519 1.258 1.00 0.16 H new ATOM 0 HD11 LEU A 109 -4.896 3.945 -0.990 1.00 0.18 H new ATOM 0 HD12 LEU A 109 -5.997 4.569 0.261 1.00 0.18 H new ATOM 0 HD13 LEU A 109 -4.948 5.689 -0.640 1.00 0.18 H new ATOM 0 HD21 LEU A 109 -2.467 3.908 -0.597 1.00 0.17 H new ATOM 0 HD22 LEU A 109 -2.463 5.649 -0.224 1.00 0.17 H new ATOM 0 HD23 LEU A 109 -1.805 4.486 0.951 1.00 0.17 H new ATOM 964 N SER A 110 -3.809 7.228 4.435 1.00 0.16 N ATOM 965 CA SER A 110 -3.546 8.489 5.118 1.00 0.20 C ATOM 966 C SER A 110 -2.458 8.300 6.167 1.00 0.19 C ATOM 967 O SER A 110 -1.587 9.151 6.340 1.00 0.22 O ATOM 968 CB SER A 110 -4.822 9.023 5.771 1.00 0.28 C ATOM 969 OG SER A 110 -5.367 8.089 6.686 1.00 1.18 O ATOM 0 H SER A 110 -4.782 6.925 4.468 1.00 0.16 H new ATOM 0 HA SER A 110 -3.205 9.217 4.382 1.00 0.20 H new ATOM 0 HB2 SER A 110 -4.603 9.957 6.289 1.00 0.28 H new ATOM 0 HB3 SER A 110 -5.558 9.251 5.000 1.00 0.28 H new ATOM 0 HG SER A 110 -5.804 7.364 6.192 1.00 1.18 H new ATOM 975 N ARG A 111 -2.510 7.164 6.846 1.00 0.18 N ATOM 976 CA ARG A 111 -1.533 6.836 7.865 1.00 0.19 C ATOM 977 C ARG A 111 -0.157 6.533 7.268 1.00 0.16 C ATOM 978 O ARG A 111 0.795 7.265 7.518 1.00 0.17 O ATOM 979 CB ARG A 111 -2.016 5.637 8.678 1.00 0.25 C ATOM 980 CG ARG A 111 -3.044 5.982 9.742 1.00 0.33 C ATOM 981 CD ARG A 111 -3.486 4.738 10.498 1.00 1.22 C ATOM 982 NE ARG A 111 -2.361 3.850 10.818 1.00 1.97 N ATOM 983 CZ ARG A 111 -2.333 3.028 11.868 1.00 2.79 C ATOM 984 NH1 ARG A 111 -3.298 3.068 12.778 1.00 3.10 N ATOM 985 NH2 ARG A 111 -1.318 2.185 12.030 1.00 3.73 N ATOM 0 H ARG A 111 -3.226 6.451 6.706 1.00 0.18 H new ATOM 0 HA ARG A 111 -1.428 7.708 8.511 1.00 0.19 H new ATOM 0 HB2 ARG A 111 -2.445 4.900 7.999 1.00 0.25 H new ATOM 0 HB3 ARG A 111 -1.157 5.167 9.157 1.00 0.25 H new ATOM 0 HG2 ARG A 111 -2.621 6.705 10.440 1.00 0.33 H new ATOM 0 HG3 ARG A 111 -3.909 6.456 9.277 1.00 0.33 H new ATOM 0 HD2 ARG A 111 -3.985 5.035 11.420 1.00 1.22 H new ATOM 0 HD3 ARG A 111 -4.217 4.193 9.901 1.00 1.22 H new ATOM 0 HE ARG A 111 -1.551 3.863 10.199 1.00 1.97 H new ATOM 0 HH11 ARG A 111 -4.067 3.730 12.677 1.00 3.10 H new ATOM 0 HH12 ARG A 111 -3.271 2.437 13.579 1.00 3.10 H new ATOM 0 HH21 ARG A 111 -0.558 2.166 11.350 1.00 3.73 H new ATOM 0 HH22 ARG A 111 -1.299 1.558 12.834 1.00 3.73 H new ATOM 999 N VAL A 112 -0.061 5.508 6.425 1.00 0.15 N ATOM 1000 CA VAL A 112 1.246 4.997 6.015 1.00 0.14 C ATOM 1001 C VAL A 112 1.964 5.985 5.111 1.00 0.14 C ATOM 1002 O VAL A 112 3.183 6.141 5.197 1.00 0.15 O ATOM 1003 CB VAL A 112 1.167 3.623 5.313 1.00 0.14 C ATOM 1004 CG1 VAL A 112 0.510 2.589 6.213 1.00 0.17 C ATOM 1005 CG2 VAL A 112 0.432 3.730 3.991 1.00 0.15 C ATOM 0 H VAL A 112 -0.859 5.020 6.017 1.00 0.15 H new ATOM 0 HA VAL A 112 1.813 4.865 6.937 1.00 0.14 H new ATOM 0 HB VAL A 112 2.186 3.294 5.108 1.00 0.14 H new ATOM 0 HG11 VAL A 112 0.467 1.631 5.695 1.00 0.17 H new ATOM 0 HG12 VAL A 112 1.092 2.481 7.128 1.00 0.17 H new ATOM 0 HG13 VAL A 112 -0.501 2.913 6.462 1.00 0.17 H new ATOM 0 HG21 VAL A 112 0.390 2.749 3.517 1.00 0.15 H new ATOM 0 HG22 VAL A 112 -0.581 4.092 4.166 1.00 0.15 H new ATOM 0 HG23 VAL A 112 0.958 4.426 3.338 1.00 0.15 H new ATOM 1015 N LEU A 113 1.209 6.667 4.260 1.00 0.15 N ATOM 1016 CA LEU A 113 1.769 7.652 3.381 1.00 0.16 C ATOM 1017 C LEU A 113 2.358 8.805 4.186 1.00 0.17 C ATOM 1018 O LEU A 113 3.493 9.211 3.953 1.00 0.20 O ATOM 1019 CB LEU A 113 0.679 8.134 2.430 1.00 0.16 C ATOM 1020 CG LEU A 113 0.741 9.603 2.077 1.00 0.20 C ATOM 1021 CD1 LEU A 113 1.916 9.866 1.154 1.00 0.20 C ATOM 1022 CD2 LEU A 113 -0.560 10.055 1.448 1.00 0.27 C ATOM 0 H LEU A 113 0.200 6.545 4.169 1.00 0.15 H new ATOM 0 HA LEU A 113 2.580 7.217 2.797 1.00 0.16 H new ATOM 0 HB2 LEU A 113 0.737 7.552 1.510 1.00 0.16 H new ATOM 0 HB3 LEU A 113 -0.292 7.924 2.879 1.00 0.16 H new ATOM 0 HG LEU A 113 0.886 10.180 2.990 1.00 0.20 H new ATOM 0 HD11 LEU A 113 1.953 10.927 0.905 1.00 0.20 H new ATOM 0 HD12 LEU A 113 2.842 9.578 1.652 1.00 0.20 H new ATOM 0 HD13 LEU A 113 1.799 9.283 0.241 1.00 0.20 H new ATOM 0 HD21 LEU A 113 -0.496 11.115 1.201 1.00 0.27 H new ATOM 0 HD22 LEU A 113 -0.744 9.481 0.540 1.00 0.27 H new ATOM 0 HD23 LEU A 113 -1.378 9.895 2.150 1.00 0.27 H new ATOM 1034 N SER A 114 1.597 9.306 5.150 1.00 0.17 N ATOM 1035 CA SER A 114 2.051 10.424 5.962 1.00 0.21 C ATOM 1036 C SER A 114 3.218 9.993 6.848 1.00 0.18 C ATOM 1037 O SER A 114 4.166 10.757 7.053 1.00 0.20 O ATOM 1038 CB SER A 114 0.895 10.975 6.796 1.00 0.26 C ATOM 1039 OG SER A 114 1.292 12.103 7.558 1.00 1.06 O ATOM 0 H SER A 114 0.668 8.958 5.387 1.00 0.17 H new ATOM 0 HA SER A 114 2.403 11.221 5.307 1.00 0.21 H new ATOM 0 HB2 SER A 114 0.071 11.251 6.139 1.00 0.26 H new ATOM 0 HB3 SER A 114 0.524 10.197 7.463 1.00 0.26 H new ATOM 0 HG SER A 114 0.529 12.431 8.078 1.00 1.06 H new ATOM 1045 N ARG A 115 3.150 8.765 7.362 1.00 0.15 N ATOM 1046 CA ARG A 115 4.264 8.169 8.061 1.00 0.16 C ATOM 1047 C ARG A 115 5.536 8.212 7.222 1.00 0.15 C ATOM 1048 O ARG A 115 6.544 8.754 7.649 1.00 0.18 O ATOM 1049 CB ARG A 115 3.949 6.724 8.403 1.00 0.20 C ATOM 1050 CG ARG A 115 3.517 6.508 9.824 1.00 0.31 C ATOM 1051 CD ARG A 115 2.075 6.879 10.046 1.00 0.53 C ATOM 1052 NE ARG A 115 1.562 6.354 11.311 1.00 0.89 N ATOM 1053 CZ ARG A 115 0.474 6.811 11.930 1.00 1.21 C ATOM 1054 NH1 ARG A 115 -0.200 7.842 11.443 1.00 1.63 N ATOM 1055 NH2 ARG A 115 0.072 6.249 13.058 1.00 1.62 N ATOM 0 H ARG A 115 2.325 8.169 7.301 1.00 0.15 H new ATOM 0 HA ARG A 115 4.427 8.744 8.972 1.00 0.16 H new ATOM 0 HB2 ARG A 115 3.162 6.368 7.738 1.00 0.20 H new ATOM 0 HB3 ARG A 115 4.832 6.115 8.207 1.00 0.20 H new ATOM 0 HG2 ARG A 115 3.666 5.462 10.092 1.00 0.31 H new ATOM 0 HG3 ARG A 115 4.148 7.100 10.487 1.00 0.31 H new ATOM 0 HD2 ARG A 115 1.974 7.964 10.037 1.00 0.53 H new ATOM 0 HD3 ARG A 115 1.471 6.496 9.223 1.00 0.53 H new ATOM 0 HE ARG A 115 2.071 5.586 11.749 1.00 0.89 H new ATOM 0 HH11 ARG A 115 0.112 8.296 10.585 1.00 1.63 H new ATOM 0 HH12 ARG A 115 -1.031 8.182 11.926 1.00 1.63 H new ATOM 0 HH21 ARG A 115 0.595 5.467 13.453 1.00 1.62 H new ATOM 0 HH22 ARG A 115 -0.761 6.598 13.533 1.00 1.62 H new ATOM 1069 N ALA A 116 5.467 7.659 6.017 1.00 0.15 N ATOM 1070 CA ALA A 116 6.636 7.552 5.148 1.00 0.18 C ATOM 1071 C ALA A 116 7.066 8.911 4.608 1.00 0.21 C ATOM 1072 O ALA A 116 8.233 9.120 4.274 1.00 0.25 O ATOM 1073 CB ALA A 116 6.353 6.589 4.015 1.00 0.20 C ATOM 0 H ALA A 116 4.611 7.276 5.617 1.00 0.15 H new ATOM 0 HA ALA A 116 7.463 7.166 5.744 1.00 0.18 H new ATOM 0 HB1 ALA A 116 7.230 6.516 3.372 1.00 0.20 H new ATOM 0 HB2 ALA A 116 6.119 5.606 4.423 1.00 0.20 H new ATOM 0 HB3 ALA A 116 5.506 6.951 3.433 1.00 0.20 H new ATOM 1079 N ARG A 117 6.116 9.830 4.526 1.00 0.23 N ATOM 1080 CA ARG A 117 6.381 11.194 4.130 1.00 0.28 C ATOM 1081 C ARG A 117 7.229 11.892 5.195 1.00 0.29 C ATOM 1082 O ARG A 117 7.966 12.837 4.907 1.00 0.39 O ATOM 1083 CB ARG A 117 5.032 11.899 3.927 1.00 0.38 C ATOM 1084 CG ARG A 117 5.087 13.395 4.055 1.00 1.06 C ATOM 1085 CD ARG A 117 5.359 14.051 2.717 1.00 1.15 C ATOM 1086 NE ARG A 117 5.550 15.495 2.844 1.00 1.75 N ATOM 1087 CZ ARG A 117 4.753 16.405 2.278 1.00 2.25 C ATOM 1088 NH1 ARG A 117 3.720 16.027 1.532 1.00 2.33 N ATOM 1089 NH2 ARG A 117 4.990 17.697 2.453 1.00 2.99 N ATOM 0 H ARG A 117 5.135 9.644 4.735 1.00 0.23 H new ATOM 0 HA ARG A 117 6.945 11.226 3.198 1.00 0.28 H new ATOM 0 HB2 ARG A 117 4.648 11.645 2.939 1.00 0.38 H new ATOM 0 HB3 ARG A 117 4.320 11.510 4.655 1.00 0.38 H new ATOM 0 HG2 ARG A 117 4.143 13.763 4.458 1.00 1.06 H new ATOM 0 HG3 ARG A 117 5.866 13.673 4.764 1.00 1.06 H new ATOM 0 HD2 ARG A 117 6.247 13.606 2.269 1.00 1.15 H new ATOM 0 HD3 ARG A 117 4.527 13.853 2.041 1.00 1.15 H new ATOM 0 HE ARG A 117 6.339 15.827 3.398 1.00 1.75 H new ATOM 0 HH11 ARG A 117 3.531 15.035 1.388 1.00 2.33 H new ATOM 0 HH12 ARG A 117 3.116 16.729 1.104 1.00 2.33 H new ATOM 0 HH21 ARG A 117 5.782 17.998 3.021 1.00 2.99 H new ATOM 0 HH22 ARG A 117 4.380 18.391 2.020 1.00 2.99 H new ATOM 1103 N SER A 118 7.128 11.400 6.421 1.00 0.28 N ATOM 1104 CA SER A 118 7.883 11.944 7.536 1.00 0.33 C ATOM 1105 C SER A 118 9.114 11.094 7.803 1.00 0.32 C ATOM 1106 O SER A 118 10.202 11.599 8.083 1.00 0.41 O ATOM 1107 CB SER A 118 6.999 11.960 8.776 1.00 0.38 C ATOM 1108 OG SER A 118 7.437 12.916 9.730 1.00 0.62 O ATOM 0 H SER A 118 6.523 10.617 6.668 1.00 0.28 H new ATOM 0 HA SER A 118 8.202 12.957 7.292 1.00 0.33 H new ATOM 0 HB2 SER A 118 5.972 12.182 8.486 1.00 0.38 H new ATOM 0 HB3 SER A 118 6.995 10.970 9.231 1.00 0.38 H new ATOM 0 HG SER A 118 6.843 12.896 10.509 1.00 0.62 H new ATOM 1114 N ARG A 119 8.913 9.797 7.706 1.00 0.26 N ATOM 1115 CA ARG A 119 9.935 8.809 8.016 1.00 0.28 C ATOM 1116 C ARG A 119 10.286 7.960 6.796 1.00 0.26 C ATOM 1117 O ARG A 119 9.804 6.836 6.652 1.00 0.25 O ATOM 1118 CB ARG A 119 9.449 7.899 9.147 1.00 0.33 C ATOM 1119 CG ARG A 119 9.130 8.641 10.430 1.00 0.47 C ATOM 1120 CD ARG A 119 10.374 9.273 11.025 1.00 1.28 C ATOM 1121 NE ARG A 119 10.047 10.162 12.128 1.00 1.54 N ATOM 1122 CZ ARG A 119 10.824 10.362 13.186 1.00 2.39 C ATOM 1123 NH1 ARG A 119 11.973 9.712 13.313 1.00 3.26 N ATOM 1124 NH2 ARG A 119 10.442 11.216 14.118 1.00 2.60 N ATOM 0 H ARG A 119 8.027 9.390 7.407 1.00 0.26 H new ATOM 0 HA ARG A 119 10.832 9.344 8.326 1.00 0.28 H new ATOM 0 HB2 ARG A 119 8.558 7.365 8.815 1.00 0.33 H new ATOM 0 HB3 ARG A 119 10.213 7.149 9.352 1.00 0.33 H new ATOM 0 HG2 ARG A 119 8.387 9.413 10.231 1.00 0.47 H new ATOM 0 HG3 ARG A 119 8.689 7.952 11.151 1.00 0.47 H new ATOM 0 HD2 ARG A 119 11.048 8.491 11.375 1.00 1.28 H new ATOM 0 HD3 ARG A 119 10.905 9.830 10.253 1.00 1.28 H new ATOM 0 HE ARG A 119 9.161 10.666 12.086 1.00 1.54 H new ATOM 0 HH11 ARG A 119 12.267 9.051 12.594 1.00 3.26 H new ATOM 0 HH12 ARG A 119 12.562 9.873 14.130 1.00 3.26 H new ATOM 0 HH21 ARG A 119 9.557 11.715 14.021 1.00 2.60 H new ATOM 0 HH22 ARG A 119 11.031 11.377 14.935 1.00 2.60 H new ATOM 1138 N PRO A 120 11.133 8.491 5.903 1.00 0.29 N ATOM 1139 CA PRO A 120 11.666 7.744 4.757 1.00 0.30 C ATOM 1140 C PRO A 120 12.492 6.545 5.207 1.00 0.27 C ATOM 1141 O PRO A 120 12.612 5.549 4.497 1.00 0.28 O ATOM 1142 CB PRO A 120 12.567 8.765 4.056 1.00 0.37 C ATOM 1143 CG PRO A 120 12.876 9.773 5.102 1.00 0.38 C ATOM 1144 CD PRO A 120 11.637 9.867 5.929 1.00 0.35 C ATOM 0 HA PRO A 120 10.876 7.344 4.121 1.00 0.30 H new ATOM 0 HB2 PRO A 120 13.475 8.297 3.676 1.00 0.37 H new ATOM 0 HB3 PRO A 120 12.062 9.220 3.204 1.00 0.37 H new ATOM 0 HG2 PRO A 120 13.730 9.466 5.705 1.00 0.38 H new ATOM 0 HG3 PRO A 120 13.128 10.736 4.659 1.00 0.38 H new ATOM 0 HD2 PRO A 120 11.851 10.202 6.944 1.00 0.35 H new ATOM 0 HD3 PRO A 120 10.919 10.570 5.506 1.00 0.35 H new ATOM 1152 N ALA A 121 13.047 6.656 6.406 1.00 0.25 N ATOM 1153 CA ALA A 121 13.885 5.612 6.974 1.00 0.28 C ATOM 1154 C ALA A 121 13.095 4.325 7.220 1.00 0.27 C ATOM 1155 O ALA A 121 13.666 3.236 7.273 1.00 0.35 O ATOM 1156 CB ALA A 121 14.522 6.113 8.257 1.00 0.33 C ATOM 0 H ALA A 121 12.929 7.470 7.010 1.00 0.25 H new ATOM 0 HA ALA A 121 14.669 5.371 6.256 1.00 0.28 H new ATOM 0 HB1 ALA A 121 15.150 5.330 8.682 1.00 0.33 H new ATOM 0 HB2 ALA A 121 15.132 6.990 8.042 1.00 0.33 H new ATOM 0 HB3 ALA A 121 13.742 6.380 8.970 1.00 0.33 H new ATOM 1162 N LYS A 122 11.784 4.454 7.391 1.00 0.22 N ATOM 1163 CA LYS A 122 10.920 3.295 7.523 1.00 0.27 C ATOM 1164 C LYS A 122 9.831 3.305 6.461 1.00 0.19 C ATOM 1165 O LYS A 122 8.827 2.606 6.585 1.00 0.18 O ATOM 1166 CB LYS A 122 10.324 3.252 8.925 1.00 0.39 C ATOM 1167 CG LYS A 122 11.352 2.880 9.976 1.00 0.49 C ATOM 1168 CD LYS A 122 11.300 1.397 10.304 1.00 0.66 C ATOM 1169 CE LYS A 122 10.149 1.065 11.240 1.00 1.28 C ATOM 1170 NZ LYS A 122 10.451 1.457 12.640 1.00 1.79 N ATOM 0 H LYS A 122 11.300 5.350 7.441 1.00 0.22 H new ATOM 0 HA LYS A 122 11.514 2.394 7.371 1.00 0.27 H new ATOM 0 HB2 LYS A 122 9.897 4.226 9.166 1.00 0.39 H new ATOM 0 HB3 LYS A 122 9.507 2.531 8.948 1.00 0.39 H new ATOM 0 HG2 LYS A 122 12.349 3.140 9.620 1.00 0.49 H new ATOM 0 HG3 LYS A 122 11.175 3.461 10.881 1.00 0.49 H new ATOM 0 HD2 LYS A 122 11.195 0.825 9.382 1.00 0.66 H new ATOM 0 HD3 LYS A 122 12.241 1.093 10.763 1.00 0.66 H new ATOM 0 HE2 LYS A 122 9.247 1.578 10.905 1.00 1.28 H new ATOM 0 HE3 LYS A 122 9.942 -0.004 11.198 1.00 1.28 H new ATOM 0 HZ1 LYS A 122 9.698 1.110 13.268 1.00 1.79 H new ATOM 0 HZ2 LYS A 122 11.360 1.042 12.928 1.00 1.79 H new ATOM 0 HZ3 LYS A 122 10.507 2.493 12.706 1.00 1.79 H new ATOM 1184 N LEU A 123 10.059 4.088 5.407 1.00 0.17 N ATOM 1185 CA LEU A 123 9.174 4.148 4.250 1.00 0.14 C ATOM 1186 C LEU A 123 8.794 2.757 3.768 1.00 0.12 C ATOM 1187 O LEU A 123 7.643 2.500 3.430 1.00 0.12 O ATOM 1188 CB LEU A 123 9.884 4.891 3.130 1.00 0.16 C ATOM 1189 CG LEU A 123 9.324 4.662 1.734 1.00 0.14 C ATOM 1190 CD1 LEU A 123 8.143 5.573 1.458 1.00 0.15 C ATOM 1191 CD2 LEU A 123 10.419 4.867 0.724 1.00 0.21 C ATOM 0 H LEU A 123 10.870 4.702 5.334 1.00 0.17 H new ATOM 0 HA LEU A 123 8.260 4.666 4.539 1.00 0.14 H new ATOM 0 HB2 LEU A 123 9.848 5.959 3.346 1.00 0.16 H new ATOM 0 HB3 LEU A 123 10.934 4.600 3.133 1.00 0.16 H new ATOM 0 HG LEU A 123 8.957 3.638 1.660 1.00 0.14 H new ATOM 0 HD11 LEU A 123 7.766 5.385 0.453 1.00 0.15 H new ATOM 0 HD12 LEU A 123 7.354 5.377 2.184 1.00 0.15 H new ATOM 0 HD13 LEU A 123 8.459 6.613 1.538 1.00 0.15 H new ATOM 0 HD21 LEU A 123 10.024 4.704 -0.279 1.00 0.21 H new ATOM 0 HD22 LEU A 123 10.801 5.885 0.803 1.00 0.21 H new ATOM 0 HD23 LEU A 123 11.227 4.161 0.915 1.00 0.21 H new ATOM 1203 N TYR A 124 9.771 1.858 3.763 1.00 0.13 N ATOM 1204 CA TYR A 124 9.563 0.514 3.254 1.00 0.13 C ATOM 1205 C TYR A 124 8.565 -0.228 4.106 1.00 0.13 C ATOM 1206 O TYR A 124 7.774 -0.985 3.590 1.00 0.14 O ATOM 1207 CB TYR A 124 10.874 -0.251 3.184 1.00 0.14 C ATOM 1208 CG TYR A 124 11.779 0.209 2.075 1.00 0.14 C ATOM 1209 CD1 TYR A 124 12.642 1.285 2.244 1.00 0.22 C ATOM 1210 CD2 TYR A 124 11.777 -0.444 0.858 1.00 0.14 C ATOM 1211 CE1 TYR A 124 13.478 1.693 1.220 1.00 0.26 C ATOM 1212 CE2 TYR A 124 12.602 -0.051 -0.160 1.00 0.19 C ATOM 1213 CZ TYR A 124 13.458 1.017 0.018 1.00 0.24 C ATOM 1214 OH TYR A 124 14.291 1.407 -1.009 1.00 0.31 O ATOM 0 H TYR A 124 10.714 2.038 4.106 1.00 0.13 H new ATOM 0 HA TYR A 124 9.163 0.596 2.243 1.00 0.13 H new ATOM 0 HB2 TYR A 124 11.397 -0.148 4.135 1.00 0.14 H new ATOM 0 HB3 TYR A 124 10.660 -1.311 3.051 1.00 0.14 H new ATOM 0 HD1 TYR A 124 12.660 1.810 3.188 1.00 0.22 H new ATOM 0 HD2 TYR A 124 11.111 -1.281 0.707 1.00 0.14 H new ATOM 0 HE1 TYR A 124 14.141 2.534 1.361 1.00 0.26 H new ATOM 0 HE2 TYR A 124 12.584 -0.577 -1.103 1.00 0.19 H new ATOM 0 HH TYR A 124 14.150 0.824 -1.784 1.00 0.31 H new ATOM 1224 N VAL A 125 8.594 0.010 5.407 1.00 0.13 N ATOM 1225 CA VAL A 125 7.610 -0.582 6.306 1.00 0.14 C ATOM 1226 C VAL A 125 6.200 -0.206 5.877 1.00 0.12 C ATOM 1227 O VAL A 125 5.304 -1.039 5.864 1.00 0.14 O ATOM 1228 CB VAL A 125 7.843 -0.146 7.763 1.00 0.18 C ATOM 1229 CG1 VAL A 125 6.655 -0.520 8.647 1.00 0.19 C ATOM 1230 CG2 VAL A 125 9.134 -0.766 8.274 1.00 0.23 C ATOM 0 H VAL A 125 9.284 0.606 5.865 1.00 0.13 H new ATOM 0 HA VAL A 125 7.727 -1.664 6.250 1.00 0.14 H new ATOM 0 HB VAL A 125 7.936 0.939 7.800 1.00 0.18 H new ATOM 0 HG11 VAL A 125 6.848 -0.200 9.671 1.00 0.19 H new ATOM 0 HG12 VAL A 125 5.756 -0.027 8.276 1.00 0.19 H new ATOM 0 HG13 VAL A 125 6.512 -1.600 8.626 1.00 0.19 H new ATOM 0 HG21 VAL A 125 9.302 -0.459 9.306 1.00 0.23 H new ATOM 0 HG22 VAL A 125 9.060 -1.852 8.226 1.00 0.23 H new ATOM 0 HG23 VAL A 125 9.968 -0.432 7.656 1.00 0.23 H new ATOM 1240 N TYR A 126 6.027 1.044 5.499 1.00 0.11 N ATOM 1241 CA TYR A 126 4.734 1.539 5.062 1.00 0.11 C ATOM 1242 C TYR A 126 4.412 1.012 3.671 1.00 0.10 C ATOM 1243 O TYR A 126 3.253 0.777 3.335 1.00 0.11 O ATOM 1244 CB TYR A 126 4.745 3.060 5.121 1.00 0.12 C ATOM 1245 CG TYR A 126 5.217 3.541 6.471 1.00 0.12 C ATOM 1246 CD1 TYR A 126 4.537 3.168 7.618 1.00 0.17 C ATOM 1247 CD2 TYR A 126 6.363 4.312 6.607 1.00 0.17 C ATOM 1248 CE1 TYR A 126 4.973 3.558 8.864 1.00 0.20 C ATOM 1249 CE2 TYR A 126 6.813 4.700 7.855 1.00 0.20 C ATOM 1250 CZ TYR A 126 6.113 4.322 8.980 1.00 0.20 C ATOM 1251 OH TYR A 126 6.556 4.699 10.225 1.00 0.25 O ATOM 0 H TYR A 126 6.771 1.742 5.485 1.00 0.11 H new ATOM 0 HA TYR A 126 3.945 1.180 5.722 1.00 0.11 H new ATOM 0 HB2 TYR A 126 5.397 3.454 4.341 1.00 0.12 H new ATOM 0 HB3 TYR A 126 3.744 3.443 4.923 1.00 0.12 H new ATOM 0 HD1 TYR A 126 3.648 2.560 7.534 1.00 0.17 H new ATOM 0 HD2 TYR A 126 6.910 4.613 5.726 1.00 0.17 H new ATOM 0 HE1 TYR A 126 4.424 3.266 9.747 1.00 0.20 H new ATOM 0 HE2 TYR A 126 7.709 5.296 7.948 1.00 0.20 H new ATOM 0 HH TYR A 126 7.373 5.233 10.134 1.00 0.25 H new ATOM 1261 N ILE A 127 5.455 0.820 2.876 1.00 0.11 N ATOM 1262 CA ILE A 127 5.350 0.096 1.615 1.00 0.11 C ATOM 1263 C ILE A 127 4.862 -1.330 1.882 1.00 0.11 C ATOM 1264 O ILE A 127 3.910 -1.807 1.266 1.00 0.11 O ATOM 1265 CB ILE A 127 6.723 0.049 0.902 1.00 0.11 C ATOM 1266 CG1 ILE A 127 7.090 1.438 0.382 1.00 0.12 C ATOM 1267 CG2 ILE A 127 6.716 -0.958 -0.228 1.00 0.13 C ATOM 1268 CD1 ILE A 127 8.567 1.632 0.120 1.00 0.11 C ATOM 0 H ILE A 127 6.394 1.159 3.084 1.00 0.11 H new ATOM 0 HA ILE A 127 4.638 0.613 0.972 1.00 0.11 H new ATOM 0 HB ILE A 127 7.475 -0.267 1.625 1.00 0.11 H new ATOM 0 HG12 ILE A 127 6.541 1.625 -0.541 1.00 0.12 H new ATOM 0 HG13 ILE A 127 6.760 2.183 1.106 1.00 0.12 H new ATOM 0 HG21 ILE A 127 7.693 -0.970 -0.711 1.00 0.13 H new ATOM 0 HG22 ILE A 127 6.496 -1.949 0.169 1.00 0.13 H new ATOM 0 HG23 ILE A 127 5.954 -0.682 -0.957 1.00 0.13 H new ATOM 0 HD11 ILE A 127 8.742 2.644 -0.246 1.00 0.11 H new ATOM 0 HD12 ILE A 127 9.124 1.480 1.045 1.00 0.11 H new ATOM 0 HD13 ILE A 127 8.902 0.913 -0.627 1.00 0.11 H new ATOM 1280 N ASN A 128 5.533 -1.983 2.823 1.00 0.12 N ATOM 1281 CA ASN A 128 5.191 -3.318 3.273 1.00 0.14 C ATOM 1282 C ASN A 128 3.750 -3.373 3.740 1.00 0.14 C ATOM 1283 O ASN A 128 2.979 -4.227 3.297 1.00 0.16 O ATOM 1284 CB ASN A 128 6.102 -3.717 4.438 1.00 0.20 C ATOM 1285 CG ASN A 128 7.530 -4.040 4.034 1.00 0.25 C ATOM 1286 OD1 ASN A 128 8.229 -4.760 4.733 1.00 0.50 O ATOM 1287 ND2 ASN A 128 7.973 -3.515 2.912 1.00 0.26 N ATOM 0 H ASN A 128 6.344 -1.589 3.300 1.00 0.12 H new ATOM 0 HA ASN A 128 5.323 -4.006 2.438 1.00 0.14 H new ATOM 0 HB2 ASN A 128 6.118 -2.906 5.166 1.00 0.20 H new ATOM 0 HB3 ASN A 128 5.673 -4.585 4.938 1.00 0.20 H new ATOM 0 HD21 ASN A 128 8.926 -3.704 2.602 1.00 0.26 H new ATOM 0 HD22 ASN A 128 7.363 -2.919 2.352 1.00 0.26 H new ATOM 1294 N GLU A 129 3.400 -2.459 4.646 1.00 0.13 N ATOM 1295 CA GLU A 129 2.044 -2.372 5.161 1.00 0.16 C ATOM 1296 C GLU A 129 1.066 -2.254 4.024 1.00 0.15 C ATOM 1297 O GLU A 129 0.270 -3.142 3.801 1.00 0.17 O ATOM 1298 CB GLU A 129 1.867 -1.158 6.072 1.00 0.23 C ATOM 1299 CG GLU A 129 2.514 -1.305 7.431 1.00 0.29 C ATOM 1300 CD GLU A 129 2.075 -0.227 8.408 1.00 0.60 C ATOM 1301 OE1 GLU A 129 0.961 -0.348 8.970 1.00 0.90 O ATOM 1302 OE2 GLU A 129 2.834 0.738 8.628 1.00 1.03 O ATOM 0 H GLU A 129 4.043 -1.769 5.036 1.00 0.13 H new ATOM 0 HA GLU A 129 1.857 -3.280 5.735 1.00 0.16 H new ATOM 0 HB2 GLU A 129 2.284 -0.281 5.576 1.00 0.23 H new ATOM 0 HB3 GLU A 129 0.802 -0.971 6.207 1.00 0.23 H new ATOM 0 HG2 GLU A 129 2.268 -2.284 7.842 1.00 0.29 H new ATOM 0 HG3 GLU A 129 3.598 -1.269 7.319 1.00 0.29 H new ATOM 1309 N LEU A 130 1.196 -1.177 3.275 1.00 0.14 N ATOM 1310 CA LEU A 130 0.290 -0.863 2.179 1.00 0.15 C ATOM 1311 C LEU A 130 0.114 -2.050 1.227 1.00 0.15 C ATOM 1312 O LEU A 130 -1.004 -2.374 0.836 1.00 0.18 O ATOM 1313 CB LEU A 130 0.838 0.352 1.439 1.00 0.17 C ATOM 1314 CG LEU A 130 -0.157 1.130 0.591 1.00 0.13 C ATOM 1315 CD1 LEU A 130 -1.479 1.305 1.329 1.00 0.12 C ATOM 1316 CD2 LEU A 130 0.445 2.483 0.255 1.00 0.12 C ATOM 0 H LEU A 130 1.937 -0.488 3.408 1.00 0.14 H new ATOM 0 HA LEU A 130 -0.698 -0.642 2.583 1.00 0.15 H new ATOM 0 HB2 LEU A 130 1.269 1.034 2.172 1.00 0.17 H new ATOM 0 HB3 LEU A 130 1.652 0.021 0.794 1.00 0.17 H new ATOM 0 HG LEU A 130 -0.362 0.577 -0.326 1.00 0.13 H new ATOM 0 HD11 LEU A 130 -2.174 1.864 0.703 1.00 0.12 H new ATOM 0 HD12 LEU A 130 -1.902 0.326 1.556 1.00 0.12 H new ATOM 0 HD13 LEU A 130 -1.308 1.850 2.257 1.00 0.12 H new ATOM 0 HD21 LEU A 130 -0.257 3.053 -0.353 1.00 0.12 H new ATOM 0 HD22 LEU A 130 0.652 3.028 1.176 1.00 0.12 H new ATOM 0 HD23 LEU A 130 1.373 2.341 -0.299 1.00 0.12 H new ATOM 1328 N CYS A 131 1.214 -2.707 0.876 1.00 0.14 N ATOM 1329 CA CYS A 131 1.162 -3.862 -0.018 1.00 0.17 C ATOM 1330 C CYS A 131 0.446 -5.042 0.645 1.00 0.18 C ATOM 1331 O CYS A 131 -0.411 -5.683 0.033 1.00 0.21 O ATOM 1332 CB CYS A 131 2.578 -4.276 -0.435 1.00 0.20 C ATOM 1333 SG CYS A 131 2.646 -5.727 -1.516 1.00 0.53 S ATOM 0 H CYS A 131 2.151 -2.462 1.195 1.00 0.14 H new ATOM 0 HA CYS A 131 0.598 -3.575 -0.905 1.00 0.17 H new ATOM 0 HB2 CYS A 131 3.054 -3.437 -0.943 1.00 0.20 H new ATOM 0 HB3 CYS A 131 3.163 -4.479 0.462 1.00 0.20 H new ATOM 0 HG CYS A 131 3.509 -5.520 -2.466 1.00 0.53 H new ATOM 1339 N THR A 132 0.783 -5.313 1.901 1.00 0.19 N ATOM 1340 CA THR A 132 0.174 -6.417 2.629 1.00 0.23 C ATOM 1341 C THR A 132 -1.283 -6.098 2.912 1.00 0.21 C ATOM 1342 O THR A 132 -2.157 -6.951 2.802 1.00 0.22 O ATOM 1343 CB THR A 132 0.903 -6.680 3.958 1.00 0.28 C ATOM 1344 OG1 THR A 132 2.306 -6.844 3.719 1.00 0.32 O ATOM 1345 CG2 THR A 132 0.351 -7.925 4.638 1.00 0.36 C ATOM 0 H THR A 132 1.473 -4.784 2.434 1.00 0.19 H new ATOM 0 HA THR A 132 0.250 -7.312 2.011 1.00 0.23 H new ATOM 0 HB THR A 132 0.743 -5.825 4.614 1.00 0.28 H new ATOM 0 HG1 THR A 132 2.709 -5.972 3.527 1.00 0.32 H new ATOM 0 HG21 THR A 132 0.881 -8.092 5.576 1.00 0.36 H new ATOM 0 HG22 THR A 132 -0.711 -7.788 4.841 1.00 0.36 H new ATOM 0 HG23 THR A 132 0.488 -8.787 3.985 1.00 0.36 H new ATOM 1353 N VAL A 133 -1.512 -4.842 3.243 1.00 0.18 N ATOM 1354 CA VAL A 133 -2.827 -4.299 3.513 1.00 0.17 C ATOM 1355 C VAL A 133 -3.775 -4.609 2.370 1.00 0.18 C ATOM 1356 O VAL A 133 -4.917 -5.022 2.590 1.00 0.19 O ATOM 1357 CB VAL A 133 -2.719 -2.768 3.714 1.00 0.15 C ATOM 1358 CG1 VAL A 133 -4.025 -2.062 3.414 1.00 0.15 C ATOM 1359 CG2 VAL A 133 -2.254 -2.447 5.129 1.00 0.18 C ATOM 0 H VAL A 133 -0.766 -4.152 3.334 1.00 0.18 H new ATOM 0 HA VAL A 133 -3.222 -4.758 4.420 1.00 0.17 H new ATOM 0 HB VAL A 133 -1.978 -2.399 3.004 1.00 0.15 H new ATOM 0 HG11 VAL A 133 -3.903 -0.990 3.568 1.00 0.15 H new ATOM 0 HG12 VAL A 133 -4.311 -2.249 2.379 1.00 0.15 H new ATOM 0 HG13 VAL A 133 -4.803 -2.438 4.079 1.00 0.15 H new ATOM 0 HG21 VAL A 133 -2.184 -1.366 5.253 1.00 0.18 H new ATOM 0 HG22 VAL A 133 -2.969 -2.848 5.847 1.00 0.18 H new ATOM 0 HG23 VAL A 133 -1.276 -2.896 5.301 1.00 0.18 H new ATOM 1369 N LEU A 134 -3.280 -4.436 1.158 1.00 0.18 N ATOM 1370 CA LEU A 134 -4.069 -4.687 -0.025 1.00 0.20 C ATOM 1371 C LEU A 134 -4.577 -6.122 -0.038 1.00 0.23 C ATOM 1372 O LEU A 134 -5.772 -6.354 -0.082 1.00 0.28 O ATOM 1373 CB LEU A 134 -3.232 -4.399 -1.273 1.00 0.19 C ATOM 1374 CG LEU A 134 -2.787 -2.945 -1.411 1.00 0.19 C ATOM 1375 CD1 LEU A 134 -1.848 -2.770 -2.582 1.00 0.21 C ATOM 1376 CD2 LEU A 134 -3.987 -2.046 -1.574 1.00 0.20 C ATOM 0 H LEU A 134 -2.328 -4.120 0.971 1.00 0.18 H new ATOM 0 HA LEU A 134 -4.935 -4.025 -0.019 1.00 0.20 H new ATOM 0 HB2 LEU A 134 -2.348 -5.037 -1.258 1.00 0.19 H new ATOM 0 HB3 LEU A 134 -3.810 -4.675 -2.155 1.00 0.19 H new ATOM 0 HG LEU A 134 -2.253 -2.669 -0.502 1.00 0.19 H new ATOM 0 HD11 LEU A 134 -1.548 -1.725 -2.655 1.00 0.21 H new ATOM 0 HD12 LEU A 134 -0.965 -3.391 -2.436 1.00 0.21 H new ATOM 0 HD13 LEU A 134 -2.353 -3.068 -3.501 1.00 0.21 H new ATOM 0 HD21 LEU A 134 -3.656 -1.012 -1.671 1.00 0.20 H new ATOM 0 HD22 LEU A 134 -4.540 -2.336 -2.467 1.00 0.20 H new ATOM 0 HD23 LEU A 134 -4.633 -2.140 -0.701 1.00 0.20 H new ATOM 1388 N LYS A 135 -3.683 -7.082 0.088 1.00 0.25 N ATOM 1389 CA LYS A 135 -4.078 -8.477 -0.025 1.00 0.29 C ATOM 1390 C LYS A 135 -4.687 -9.023 1.256 1.00 0.30 C ATOM 1391 O LYS A 135 -5.485 -9.959 1.222 1.00 0.35 O ATOM 1392 CB LYS A 135 -2.917 -9.337 -0.493 1.00 0.33 C ATOM 1393 CG LYS A 135 -2.883 -9.472 -2.001 1.00 0.38 C ATOM 1394 CD LYS A 135 -4.210 -10.005 -2.547 1.00 0.45 C ATOM 1395 CE LYS A 135 -4.327 -11.518 -2.388 1.00 0.91 C ATOM 1396 NZ LYS A 135 -4.549 -11.935 -0.974 1.00 1.59 N ATOM 0 H LYS A 135 -2.690 -6.929 0.266 1.00 0.25 H new ATOM 0 HA LYS A 135 -4.862 -8.519 -0.781 1.00 0.29 H new ATOM 0 HB2 LYS A 135 -1.980 -8.901 -0.147 1.00 0.33 H new ATOM 0 HB3 LYS A 135 -2.994 -10.326 -0.042 1.00 0.33 H new ATOM 0 HG2 LYS A 135 -2.667 -8.502 -2.449 1.00 0.38 H new ATOM 0 HG3 LYS A 135 -2.074 -10.143 -2.289 1.00 0.38 H new ATOM 0 HD2 LYS A 135 -5.037 -9.521 -2.027 1.00 0.45 H new ATOM 0 HD3 LYS A 135 -4.300 -9.743 -3.601 1.00 0.45 H new ATOM 0 HE2 LYS A 135 -5.151 -11.881 -3.003 1.00 0.91 H new ATOM 0 HE3 LYS A 135 -3.418 -11.989 -2.763 1.00 0.91 H new ATOM 0 HZ1 LYS A 135 -5.226 -12.724 -0.947 1.00 1.59 H new ATOM 0 HZ2 LYS A 135 -3.647 -12.239 -0.556 1.00 1.59 H new ATOM 0 HZ3 LYS A 135 -4.929 -11.133 -0.431 1.00 1.59 H new ATOM 1410 N ALA A 136 -4.292 -8.460 2.381 1.00 0.27 N ATOM 1411 CA ALA A 136 -4.808 -8.897 3.668 1.00 0.30 C ATOM 1412 C ALA A 136 -6.284 -8.561 3.817 1.00 0.31 C ATOM 1413 O ALA A 136 -7.043 -9.325 4.409 1.00 0.37 O ATOM 1414 CB ALA A 136 -4.021 -8.270 4.807 1.00 0.33 C ATOM 0 H ALA A 136 -3.615 -7.699 2.432 1.00 0.27 H new ATOM 0 HA ALA A 136 -4.695 -9.980 3.712 1.00 0.30 H new ATOM 0 HB1 ALA A 136 -4.425 -8.612 5.760 1.00 0.33 H new ATOM 0 HB2 ALA A 136 -2.974 -8.564 4.731 1.00 0.33 H new ATOM 0 HB3 ALA A 136 -4.098 -7.184 4.748 1.00 0.33 H new ATOM 1420 N HIS A 137 -6.694 -7.414 3.291 1.00 0.30 N ATOM 1421 CA HIS A 137 -8.051 -6.954 3.498 1.00 0.35 C ATOM 1422 C HIS A 137 -8.880 -6.990 2.221 1.00 0.35 C ATOM 1423 O HIS A 137 -10.102 -6.852 2.267 1.00 0.54 O ATOM 1424 CB HIS A 137 -8.041 -5.554 4.093 1.00 0.39 C ATOM 1425 CG HIS A 137 -7.141 -5.417 5.283 1.00 0.42 C ATOM 1426 ND1 HIS A 137 -7.403 -5.993 6.506 1.00 0.48 N ATOM 1427 CD2 HIS A 137 -5.944 -4.800 5.413 1.00 0.43 C ATOM 1428 CE1 HIS A 137 -6.407 -5.739 7.332 1.00 0.51 C ATOM 1429 NE2 HIS A 137 -5.509 -5.015 6.694 1.00 0.49 N ATOM 0 H HIS A 137 -6.112 -6.796 2.726 1.00 0.30 H new ATOM 0 HA HIS A 137 -8.525 -7.641 4.199 1.00 0.35 H new ATOM 0 HB2 HIS A 137 -7.728 -4.844 3.327 1.00 0.39 H new ATOM 0 HB3 HIS A 137 -9.056 -5.283 4.382 1.00 0.39 H new ATOM 0 HD2 HIS A 137 -5.427 -4.241 4.648 1.00 0.43 H new ATOM 0 HE1 HIS A 137 -6.339 -6.069 8.358 1.00 0.51 H new ATOM 0 HE2 HIS A 137 -4.634 -4.671 7.089 1.00 0.49 H new ATOM 1438 N SER A 138 -8.230 -7.176 1.087 1.00 0.31 N ATOM 1439 CA SER A 138 -8.949 -7.306 -0.166 1.00 0.33 C ATOM 1440 C SER A 138 -8.364 -8.423 -1.021 1.00 0.55 C ATOM 1441 O SER A 138 -7.183 -8.754 -0.925 1.00 1.05 O ATOM 1442 CB SER A 138 -8.947 -5.984 -0.947 1.00 0.38 C ATOM 1443 OG SER A 138 -7.698 -5.718 -1.543 1.00 1.00 O ATOM 0 H SER A 138 -7.215 -7.240 1.008 1.00 0.31 H new ATOM 0 HA SER A 138 -9.981 -7.561 0.075 1.00 0.33 H new ATOM 0 HB2 SER A 138 -9.716 -6.019 -1.719 1.00 0.38 H new ATOM 0 HB3 SER A 138 -9.208 -5.167 -0.275 1.00 0.38 H new ATOM 0 HG SER A 138 -7.035 -5.533 -0.845 1.00 1.00 H new ATOM 1624 N SER B 27 4.422 -11.108 2.546 1.00 0.55 N ATOM 1625 CA SER B 27 3.854 -9.833 2.936 1.00 0.54 C ATOM 1626 C SER B 27 4.872 -8.691 2.967 1.00 0.44 C ATOM 1627 O SER B 27 5.164 -8.082 1.939 1.00 0.53 O ATOM 1628 CB SER B 27 3.109 -9.982 4.260 1.00 0.75 C ATOM 1629 OG SER B 27 3.937 -10.486 5.297 1.00 1.37 O ATOM 0 HA SER B 27 3.142 -9.544 2.163 1.00 0.54 H new ATOM 0 HB2 SER B 27 2.708 -9.013 4.558 1.00 0.75 H new ATOM 0 HB3 SER B 27 2.259 -10.650 4.121 1.00 0.75 H new ATOM 0 HG SER B 27 4.663 -11.016 4.907 1.00 1.37 H new ATOM 1635 N ASP B 28 5.406 -8.412 4.138 1.00 0.43 N ATOM 1636 CA ASP B 28 6.354 -7.319 4.307 1.00 0.37 C ATOM 1637 C ASP B 28 7.741 -7.714 3.813 1.00 0.33 C ATOM 1638 O ASP B 28 8.404 -6.950 3.111 1.00 0.31 O ATOM 1639 CB ASP B 28 6.400 -6.851 5.775 1.00 0.44 C ATOM 1640 CG ASP B 28 6.940 -7.885 6.752 1.00 0.95 C ATOM 1641 OD1 ASP B 28 6.541 -9.069 6.673 1.00 1.07 O ATOM 1642 OD2 ASP B 28 7.751 -7.511 7.626 1.00 1.83 O ATOM 0 H ASP B 28 5.201 -8.927 4.994 1.00 0.43 H new ATOM 0 HA ASP B 28 6.011 -6.482 3.699 1.00 0.37 H new ATOM 0 HB2 ASP B 28 7.016 -5.954 5.838 1.00 0.44 H new ATOM 0 HB3 ASP B 28 5.394 -6.568 6.084 1.00 0.44 H new ATOM 1647 N SER B 29 8.157 -8.925 4.135 1.00 0.36 N ATOM 1648 CA SER B 29 9.466 -9.417 3.727 1.00 0.34 C ATOM 1649 C SER B 29 9.574 -9.513 2.213 1.00 0.33 C ATOM 1650 O SER B 29 10.671 -9.542 1.663 1.00 0.34 O ATOM 1651 CB SER B 29 9.721 -10.771 4.334 1.00 0.39 C ATOM 1652 OG SER B 29 9.600 -10.721 5.744 1.00 1.07 O ATOM 0 H SER B 29 7.608 -9.590 4.679 1.00 0.36 H new ATOM 0 HA SER B 29 10.214 -8.707 4.082 1.00 0.34 H new ATOM 0 HB2 SER B 29 9.014 -11.495 3.929 1.00 0.39 H new ATOM 0 HB3 SER B 29 10.719 -11.114 4.062 1.00 0.39 H new ATOM 0 HG SER B 29 10.062 -9.927 6.084 1.00 1.07 H new ATOM 1658 N GLU B 30 8.422 -9.552 1.562 1.00 0.35 N ATOM 1659 CA GLU B 30 8.331 -9.618 0.110 1.00 0.37 C ATOM 1660 C GLU B 30 9.118 -8.471 -0.523 1.00 0.34 C ATOM 1661 O GLU B 30 9.737 -8.621 -1.574 1.00 0.39 O ATOM 1662 CB GLU B 30 6.861 -9.556 -0.287 1.00 0.45 C ATOM 1663 CG GLU B 30 6.599 -9.788 -1.752 1.00 0.68 C ATOM 1664 CD GLU B 30 5.141 -10.108 -2.040 1.00 1.37 C ATOM 1665 OE1 GLU B 30 4.286 -9.206 -1.912 1.00 2.33 O ATOM 1666 OE2 GLU B 30 4.843 -11.273 -2.388 1.00 1.57 O ATOM 0 H GLU B 30 7.516 -9.539 2.030 1.00 0.35 H new ATOM 0 HA GLU B 30 8.763 -10.552 -0.250 1.00 0.37 H new ATOM 0 HB2 GLU B 30 6.310 -10.299 0.290 1.00 0.45 H new ATOM 0 HB3 GLU B 30 6.464 -8.579 -0.010 1.00 0.45 H new ATOM 0 HG2 GLU B 30 6.891 -8.901 -2.315 1.00 0.68 H new ATOM 0 HG3 GLU B 30 7.224 -10.609 -2.104 1.00 0.68 H new ATOM 1673 N LEU B 31 9.099 -7.337 0.156 1.00 0.28 N ATOM 1674 CA LEU B 31 9.857 -6.167 -0.245 1.00 0.24 C ATOM 1675 C LEU B 31 11.316 -6.351 0.115 1.00 0.25 C ATOM 1676 O LEU B 31 12.224 -6.165 -0.696 1.00 0.26 O ATOM 1677 CB LEU B 31 9.361 -4.949 0.503 1.00 0.20 C ATOM 1678 CG LEU B 31 7.950 -4.444 0.191 1.00 0.20 C ATOM 1679 CD1 LEU B 31 7.851 -3.894 -1.214 1.00 0.19 C ATOM 1680 CD2 LEU B 31 6.916 -5.521 0.418 1.00 0.24 C ATOM 0 H LEU B 31 8.553 -7.203 1.007 1.00 0.28 H new ATOM 0 HA LEU B 31 9.736 -6.036 -1.320 1.00 0.24 H new ATOM 0 HB2 LEU B 31 9.410 -5.168 1.570 1.00 0.20 H new ATOM 0 HB3 LEU B 31 10.058 -4.133 0.313 1.00 0.20 H new ATOM 0 HG LEU B 31 7.744 -3.627 0.883 1.00 0.20 H new ATOM 0 HD11 LEU B 31 6.835 -3.546 -1.398 1.00 0.19 H new ATOM 0 HD12 LEU B 31 8.546 -3.062 -1.329 1.00 0.19 H new ATOM 0 HD13 LEU B 31 8.101 -4.677 -1.930 1.00 0.19 H new ATOM 0 HD21 LEU B 31 5.926 -5.129 0.187 1.00 0.24 H new ATOM 0 HD22 LEU B 31 7.129 -6.372 -0.229 1.00 0.24 H new ATOM 0 HD23 LEU B 31 6.946 -5.840 1.460 1.00 0.24 H new ATOM 1692 N GLU B 32 11.498 -6.713 1.372 1.00 0.26 N ATOM 1693 CA GLU B 32 12.812 -6.872 1.999 1.00 0.29 C ATOM 1694 C GLU B 32 13.749 -7.742 1.179 1.00 0.33 C ATOM 1695 O GLU B 32 14.971 -7.634 1.290 1.00 0.38 O ATOM 1696 CB GLU B 32 12.664 -7.496 3.380 1.00 0.29 C ATOM 1697 CG GLU B 32 11.587 -6.870 4.247 1.00 0.26 C ATOM 1698 CD GLU B 32 11.705 -7.322 5.688 1.00 0.34 C ATOM 1699 OE1 GLU B 32 11.105 -8.357 6.047 1.00 0.59 O ATOM 1700 OE2 GLU B 32 12.428 -6.665 6.464 1.00 0.47 O ATOM 0 H GLU B 32 10.723 -6.911 2.006 1.00 0.26 H new ATOM 0 HA GLU B 32 13.243 -5.873 2.069 1.00 0.29 H new ATOM 0 HB2 GLU B 32 12.445 -8.557 3.263 1.00 0.29 H new ATOM 0 HB3 GLU B 32 13.619 -7.423 3.901 1.00 0.29 H new ATOM 0 HG2 GLU B 32 11.664 -5.784 4.197 1.00 0.26 H new ATOM 0 HG3 GLU B 32 10.604 -7.138 3.859 1.00 0.26 H new ATOM 1707 N GLN B 33 13.159 -8.605 0.374 1.00 0.35 N ATOM 1708 CA GLN B 33 13.902 -9.539 -0.463 1.00 0.40 C ATOM 1709 C GLN B 33 14.975 -8.827 -1.270 1.00 0.39 C ATOM 1710 O GLN B 33 16.119 -9.278 -1.341 1.00 0.48 O ATOM 1711 CB GLN B 33 12.955 -10.254 -1.412 1.00 0.43 C ATOM 1712 CG GLN B 33 11.801 -10.925 -0.716 1.00 0.47 C ATOM 1713 CD GLN B 33 12.237 -12.022 0.234 1.00 0.57 C ATOM 1714 OE1 GLN B 33 12.365 -13.181 -0.153 1.00 0.66 O ATOM 1715 NE2 GLN B 33 12.441 -11.666 1.489 1.00 0.57 N ATOM 0 H GLN B 33 12.146 -8.681 0.279 1.00 0.35 H new ATOM 0 HA GLN B 33 14.385 -10.262 0.195 1.00 0.40 H new ATOM 0 HB2 GLN B 33 12.566 -9.536 -2.134 1.00 0.43 H new ATOM 0 HB3 GLN B 33 13.514 -11.001 -1.975 1.00 0.43 H new ATOM 0 HG2 GLN B 33 11.234 -10.177 -0.162 1.00 0.47 H new ATOM 0 HG3 GLN B 33 11.129 -11.346 -1.464 1.00 0.47 H new ATOM 0 HE21 GLN B 33 12.324 -10.692 1.768 1.00 0.57 H new ATOM 0 HE22 GLN B 33 12.716 -12.365 2.179 1.00 0.57 H new ATOM 1724 N TYR B 34 14.606 -7.708 -1.867 1.00 0.32 N ATOM 1725 CA TYR B 34 15.520 -6.982 -2.729 1.00 0.32 C ATOM 1726 C TYR B 34 15.790 -5.562 -2.238 1.00 0.30 C ATOM 1727 O TYR B 34 16.848 -5.001 -2.524 1.00 0.37 O ATOM 1728 CB TYR B 34 14.987 -6.950 -4.162 1.00 0.32 C ATOM 1729 CG TYR B 34 13.486 -7.081 -4.269 1.00 0.30 C ATOM 1730 CD1 TYR B 34 12.637 -6.228 -3.580 1.00 0.26 C ATOM 1731 CD2 TYR B 34 12.918 -8.056 -5.074 1.00 0.38 C ATOM 1732 CE1 TYR B 34 11.277 -6.338 -3.684 1.00 0.26 C ATOM 1733 CE2 TYR B 34 11.548 -8.176 -5.186 1.00 0.42 C ATOM 1734 CZ TYR B 34 10.729 -7.315 -4.490 1.00 0.34 C ATOM 1735 OH TYR B 34 9.364 -7.434 -4.605 1.00 0.40 O ATOM 0 H TYR B 34 13.683 -7.284 -1.771 1.00 0.32 H new ATOM 0 HA TYR B 34 16.470 -7.516 -2.704 1.00 0.32 H new ATOM 0 HB2 TYR B 34 15.293 -6.014 -4.630 1.00 0.32 H new ATOM 0 HB3 TYR B 34 15.452 -7.757 -4.728 1.00 0.32 H new ATOM 0 HD1 TYR B 34 13.058 -5.460 -2.948 1.00 0.26 H new ATOM 0 HD2 TYR B 34 13.558 -8.732 -5.622 1.00 0.38 H new ATOM 0 HE1 TYR B 34 10.635 -5.663 -3.138 1.00 0.26 H new ATOM 0 HE2 TYR B 34 11.120 -8.941 -5.816 1.00 0.42 H new ATOM 0 HH TYR B 34 8.930 -6.686 -4.143 1.00 0.40 H new ATOM 1745 N PHE B 35 14.858 -4.974 -1.497 1.00 0.27 N ATOM 1746 CA PHE B 35 15.029 -3.594 -1.076 1.00 0.26 C ATOM 1747 C PHE B 35 14.410 -3.322 0.290 1.00 0.25 C ATOM 1748 O PHE B 35 13.374 -3.877 0.637 1.00 0.25 O ATOM 1749 CB PHE B 35 14.474 -2.624 -2.138 1.00 0.25 C ATOM 1750 CG PHE B 35 13.042 -2.829 -2.548 1.00 0.21 C ATOM 1751 CD1 PHE B 35 12.020 -2.777 -1.626 1.00 0.18 C ATOM 1752 CD2 PHE B 35 12.727 -3.047 -3.879 1.00 0.22 C ATOM 1753 CE1 PHE B 35 10.715 -2.941 -2.008 1.00 0.16 C ATOM 1754 CE2 PHE B 35 11.414 -3.215 -4.273 1.00 0.21 C ATOM 1755 CZ PHE B 35 10.405 -3.164 -3.335 1.00 0.18 C ATOM 0 H PHE B 35 13.996 -5.421 -1.183 1.00 0.27 H new ATOM 0 HA PHE B 35 16.101 -3.422 -0.976 1.00 0.26 H new ATOM 0 HB2 PHE B 35 14.579 -1.607 -1.760 1.00 0.25 H new ATOM 0 HB3 PHE B 35 15.098 -2.699 -3.028 1.00 0.25 H new ATOM 0 HD1 PHE B 35 12.251 -2.604 -0.585 1.00 0.18 H new ATOM 0 HD2 PHE B 35 13.516 -3.086 -4.616 1.00 0.22 H new ATOM 0 HE1 PHE B 35 9.927 -2.896 -1.270 1.00 0.16 H new ATOM 0 HE2 PHE B 35 11.178 -3.386 -5.313 1.00 0.21 H new ATOM 0 HZ PHE B 35 9.377 -3.298 -3.637 1.00 0.18 H new ATOM 1765 N THR B 36 15.083 -2.473 1.059 1.00 0.27 N ATOM 1766 CA THR B 36 14.600 -2.005 2.355 1.00 0.27 C ATOM 1767 C THR B 36 15.438 -0.813 2.819 1.00 0.32 C ATOM 1768 O THR B 36 16.199 -0.247 2.030 1.00 0.45 O ATOM 1769 CB THR B 36 14.610 -3.112 3.435 1.00 0.27 C ATOM 1770 OG1 THR B 36 15.638 -4.075 3.162 1.00 0.31 O ATOM 1771 CG2 THR B 36 13.254 -3.790 3.510 1.00 0.27 C ATOM 0 H THR B 36 15.990 -2.085 0.798 1.00 0.27 H new ATOM 0 HA THR B 36 13.561 -1.704 2.221 1.00 0.27 H new ATOM 0 HB THR B 36 14.821 -2.650 4.399 1.00 0.27 H new ATOM 0 HG1 THR B 36 15.631 -4.767 3.856 1.00 0.31 H new ATOM 0 HG21 THR B 36 13.277 -4.567 4.275 1.00 0.27 H new ATOM 0 HG22 THR B 36 12.492 -3.053 3.764 1.00 0.27 H new ATOM 0 HG23 THR B 36 13.017 -4.238 2.545 1.00 0.27 H new ATOM 1779 N ALA B 37 15.294 -0.426 4.078 1.00 0.32 N ATOM 1780 CA ALA B 37 16.006 0.732 4.608 1.00 0.35 C ATOM 1781 C ALA B 37 16.836 0.350 5.823 1.00 0.43 C ATOM 1782 O ALA B 37 17.258 -0.796 5.955 1.00 0.53 O ATOM 1783 CB ALA B 37 15.032 1.838 4.981 1.00 0.29 C ATOM 0 H ALA B 37 14.691 -0.896 4.753 1.00 0.32 H new ATOM 0 HA ALA B 37 16.674 1.096 3.827 1.00 0.35 H new ATOM 0 HB1 ALA B 37 15.584 2.692 5.374 1.00 0.29 H new ATOM 0 HB2 ALA B 37 14.472 2.143 4.097 1.00 0.29 H new ATOM 0 HB3 ALA B 37 14.340 1.473 5.740 1.00 0.29 H new ATOM 1789 N ARG B 38 17.054 1.319 6.704 1.00 0.44 N ATOM 1790 CA ARG B 38 17.804 1.100 7.933 1.00 0.52 C ATOM 1791 C ARG B 38 17.175 -0.026 8.758 1.00 0.56 C ATOM 1792 O ARG B 38 17.873 -0.922 9.231 1.00 0.67 O ATOM 1793 CB ARG B 38 17.849 2.404 8.748 1.00 0.57 C ATOM 1794 CG ARG B 38 16.864 2.437 9.904 1.00 0.67 C ATOM 1795 CD ARG B 38 16.227 3.787 10.087 1.00 0.93 C ATOM 1796 NE ARG B 38 15.365 3.814 11.267 1.00 1.60 N ATOM 1797 CZ ARG B 38 15.527 4.646 12.291 1.00 2.28 C ATOM 1798 NH1 ARG B 38 16.550 5.494 12.313 1.00 2.75 N ATOM 1799 NH2 ARG B 38 14.679 4.610 13.307 1.00 2.94 N ATOM 0 H ARG B 38 16.717 2.275 6.587 1.00 0.44 H new ATOM 0 HA ARG B 38 18.821 0.802 7.678 1.00 0.52 H new ATOM 0 HB2 ARG B 38 18.857 2.544 9.138 1.00 0.57 H new ATOM 0 HB3 ARG B 38 17.645 3.244 8.084 1.00 0.57 H new ATOM 0 HG2 ARG B 38 16.086 1.693 9.734 1.00 0.67 H new ATOM 0 HG3 ARG B 38 17.379 2.155 10.823 1.00 0.67 H new ATOM 0 HD2 ARG B 38 17.002 4.547 10.184 1.00 0.93 H new ATOM 0 HD3 ARG B 38 15.643 4.038 9.202 1.00 0.93 H new ATOM 0 HE ARG B 38 14.590 3.152 11.307 1.00 1.60 H new ATOM 0 HH11 ARG B 38 17.217 5.509 11.541 1.00 2.75 H new ATOM 0 HH12 ARG B 38 16.669 6.130 13.102 1.00 2.75 H new ATOM 0 HH21 ARG B 38 13.905 3.946 13.302 1.00 2.94 H new ATOM 0 HH22 ARG B 38 14.800 5.247 14.095 1.00 2.94 H new ATOM 1813 N TRP B 39 15.850 0.040 8.883 1.00 0.54 N ATOM 1814 CA TRP B 39 15.054 -0.892 9.671 1.00 0.64 C ATOM 1815 C TRP B 39 15.736 -1.305 10.973 1.00 0.85 C ATOM 1816 O TRP B 39 15.724 -0.503 11.929 1.00 1.41 O ATOM 1817 CB TRP B 39 14.700 -2.103 8.824 1.00 0.60 C ATOM 1818 CG TRP B 39 13.756 -1.750 7.736 1.00 0.43 C ATOM 1819 CD1 TRP B 39 13.828 -0.668 6.927 1.00 0.34 C ATOM 1820 CD2 TRP B 39 12.594 -2.466 7.358 1.00 0.35 C ATOM 1821 NE1 TRP B 39 12.774 -0.668 6.047 1.00 0.23 N ATOM 1822 CE2 TRP B 39 12.003 -1.770 6.294 1.00 0.23 C ATOM 1823 CE3 TRP B 39 11.993 -3.633 7.813 1.00 0.40 C ATOM 1824 CZ2 TRP B 39 10.842 -2.211 5.681 1.00 0.21 C ATOM 1825 CZ3 TRP B 39 10.842 -4.060 7.201 1.00 0.33 C ATOM 1826 CH2 TRP B 39 10.278 -3.352 6.145 1.00 0.25 C ATOM 1827 OXT TRP B 39 16.260 -2.434 11.046 1.00 1.45 O ATOM 0 H TRP B 39 15.290 0.761 8.427 1.00 0.54 H new ATOM 0 HA TRP B 39 14.140 -0.377 9.966 1.00 0.64 H new ATOM 0 HB2 TRP B 39 15.608 -2.526 8.395 1.00 0.60 H new ATOM 0 HB3 TRP B 39 14.257 -2.873 9.456 1.00 0.60 H new ATOM 0 HD1 TRP B 39 14.601 0.085 6.967 1.00 0.34 H new ATOM 0 HE1 TRP B 39 12.596 0.035 5.330 1.00 0.23 H new ATOM 0 HE3 TRP B 39 12.423 -4.192 8.631 1.00 0.40 H new ATOM 0 HZ2 TRP B 39 10.401 -1.664 4.861 1.00 0.21 H new ATOM 0 HZ3 TRP B 39 10.364 -4.965 7.546 1.00 0.33 H new ATOM 0 HH2 TRP B 39 9.372 -3.719 5.686 1.00 0.25 H new