USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 884 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 Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.174 X(o=-0.17,f=-0.094) USER MOD Single : A 18 CYS SG : rot 88:sc= 0.403 USER MOD Single : A 22 SER OG : rot 96:sc= 1.2 USER MOD Single : A 23 CYS SG : rot 180:sc= -0.0771 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -19:sc= 0.13 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.114 USER MOD Single : A 50 THR OG1 : rot 75:sc= 0.652 USER MOD Single : A 57 THR OG1 : rot -16:sc= 0.701 USER MOD Single : A 69 SER OG : rot 20:sc= 0.438 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 176:sc= 1.45 USER MOD Single : A 78 MET CE :methyl -143:sc= -3.71! (180deg=-6.58!) USER MOD Single : A 82 THR OG1 : rot 103:sc= 1.27 USER MOD Single : A 84 SER OG : rot -69:sc= 0.658 USER MOD Single : A 88 THR OG1 : rot 93:sc= 1.21 USER MOD Single : A 93 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.61) USER MOD Single : A 116 MET CE :methyl 160:sc= -3.63 (180deg=-5.79!) USER MOD Single : A 121 CYS SG : rot 81:sc= 0.652 USER MOD Single : A 125 THR OG1 : rot 95:sc= 0.501 USER MOD ----------------------------------------------------------------- ATOM 64 N LEU A 8 -5.971 -5.971 -1.917 1.00 5.44 N ATOM 65 CA LEU A 8 -6.992 -6.910 -1.465 1.00 43.35 C ATOM 66 C LEU A 8 -6.431 -8.326 -1.385 1.00 75.12 C ATOM 67 O LEU A 8 -6.817 -9.109 -0.517 1.00 72.30 O ATOM 68 CB LEU A 8 -8.195 -6.878 -2.410 1.00 1.45 C ATOM 69 CG LEU A 8 -9.541 -7.260 -1.794 1.00 73.41 C ATOM 70 CD1 LEU A 8 -9.541 -8.723 -1.378 1.00 12.05 C ATOM 71 CD2 LEU A 8 -9.858 -6.365 -0.605 1.00 21.21 C ATOM 0 HA LEU A 8 -7.313 -6.609 -0.468 1.00 43.35 H new ATOM 0 HB2 LEU A 8 -8.280 -5.874 -2.825 1.00 1.45 H new ATOM 0 HB3 LEU A 8 -7.995 -7.551 -3.244 1.00 1.45 H new ATOM 0 HG LEU A 8 -10.317 -7.117 -2.546 1.00 73.41 H new ATOM 0 HD11 LEU A 8 -10.507 -8.977 -0.942 1.00 12.05 H new ATOM 0 HD12 LEU A 8 -9.361 -9.350 -2.252 1.00 12.05 H new ATOM 0 HD13 LEU A 8 -8.755 -8.892 -0.642 1.00 12.05 H new ATOM 0 HD21 LEU A 8 -10.820 -6.652 -0.180 1.00 21.21 H new ATOM 0 HD22 LEU A 8 -9.080 -6.475 0.151 1.00 21.21 H new ATOM 0 HD23 LEU A 8 -9.902 -5.326 -0.933 1.00 21.21 H new ATOM 83 N PHE A 9 -5.518 -8.648 -2.295 1.00 41.01 N ATOM 84 CA PHE A 9 -4.903 -9.970 -2.327 1.00 11.13 C ATOM 85 C PHE A 9 -4.356 -10.348 -0.953 1.00 73.54 C ATOM 86 O PHE A 9 -4.359 -11.520 -0.573 1.00 41.43 O ATOM 87 CB PHE A 9 -3.779 -10.008 -3.364 1.00 60.20 C ATOM 88 CG PHE A 9 -3.276 -11.394 -3.652 1.00 52.23 C ATOM 89 CD1 PHE A 9 -2.485 -12.063 -2.733 1.00 33.53 C ATOM 90 CD2 PHE A 9 -3.594 -12.027 -4.843 1.00 51.53 C ATOM 91 CE1 PHE A 9 -2.021 -13.339 -2.995 1.00 12.23 C ATOM 92 CE2 PHE A 9 -3.133 -13.302 -5.111 1.00 14.14 C ATOM 93 CZ PHE A 9 -2.345 -13.958 -4.186 1.00 30.32 C ATOM 0 H PHE A 9 -5.187 -8.012 -3.020 1.00 41.01 H new ATOM 0 HA PHE A 9 -5.669 -10.693 -2.606 1.00 11.13 H new ATOM 0 HB2 PHE A 9 -4.136 -9.559 -4.291 1.00 60.20 H new ATOM 0 HB3 PHE A 9 -2.949 -9.395 -3.012 1.00 60.20 H new ATOM 0 HD1 PHE A 9 -2.227 -11.582 -1.801 1.00 33.53 H new ATOM 0 HD2 PHE A 9 -4.209 -11.518 -5.570 1.00 51.53 H new ATOM 0 HE1 PHE A 9 -1.406 -13.851 -2.269 1.00 12.23 H new ATOM 0 HE2 PHE A 9 -3.389 -13.785 -6.043 1.00 14.14 H new ATOM 0 HZ PHE A 9 -1.983 -14.954 -4.394 1.00 30.32 H new ATOM 103 N TYR A 10 -3.888 -9.349 -0.214 1.00 64.32 N ATOM 104 CA TYR A 10 -3.335 -9.577 1.116 1.00 44.53 C ATOM 105 C TYR A 10 -4.444 -9.838 2.130 1.00 51.52 C ATOM 106 O TYR A 10 -4.274 -10.616 3.068 1.00 31.54 O ATOM 107 CB TYR A 10 -2.499 -8.373 1.556 1.00 61.42 C ATOM 108 CG TYR A 10 -1.608 -8.657 2.744 1.00 31.11 C ATOM 109 CD1 TYR A 10 -0.870 -9.832 2.820 1.00 53.22 C ATOM 110 CD2 TYR A 10 -1.504 -7.749 3.791 1.00 24.30 C ATOM 111 CE1 TYR A 10 -0.056 -10.095 3.904 1.00 21.30 C ATOM 112 CE2 TYR A 10 -0.691 -8.004 4.879 1.00 45.24 C ATOM 113 CZ TYR A 10 0.031 -9.178 4.931 1.00 71.23 C ATOM 114 OH TYR A 10 0.842 -9.436 6.012 1.00 61.32 O ATOM 0 H TYR A 10 -3.880 -8.374 -0.513 1.00 64.32 H new ATOM 0 HA TYR A 10 -2.695 -10.458 1.070 1.00 44.53 H new ATOM 0 HB2 TYR A 10 -1.882 -8.045 0.720 1.00 61.42 H new ATOM 0 HB3 TYR A 10 -3.167 -7.548 1.802 1.00 61.42 H new ATOM 0 HD1 TYR A 10 -0.934 -10.552 2.017 1.00 53.22 H new ATOM 0 HD2 TYR A 10 -2.068 -6.829 3.754 1.00 24.30 H new ATOM 0 HE1 TYR A 10 0.510 -11.014 3.948 1.00 21.30 H new ATOM 0 HE2 TYR A 10 -0.621 -7.288 5.684 1.00 45.24 H new ATOM 0 HH TYR A 10 0.791 -8.690 6.645 1.00 61.32 H new ATOM 124 N THR A 11 -5.583 -9.180 1.934 1.00 60.24 N ATOM 125 CA THR A 11 -6.721 -9.339 2.829 1.00 34.25 C ATOM 126 C THR A 11 -7.313 -10.740 2.723 1.00 32.02 C ATOM 127 O THR A 11 -7.836 -11.278 3.699 1.00 34.52 O ATOM 128 CB THR A 11 -7.822 -8.305 2.528 1.00 13.11 C ATOM 129 OG1 THR A 11 -7.529 -7.070 3.192 1.00 74.33 O ATOM 130 CG2 THR A 11 -9.183 -8.817 2.976 1.00 50.21 C ATOM 0 H THR A 11 -5.741 -8.532 1.162 1.00 60.24 H new ATOM 0 HA THR A 11 -6.350 -9.180 3.842 1.00 34.25 H new ATOM 0 HB THR A 11 -7.850 -8.140 1.451 1.00 13.11 H new ATOM 0 HG1 THR A 11 -8.233 -6.417 2.994 1.00 74.33 H new ATOM 0 HG21 THR A 11 -9.944 -8.070 2.753 1.00 50.21 H new ATOM 0 HG22 THR A 11 -9.416 -9.741 2.447 1.00 50.21 H new ATOM 0 HG23 THR A 11 -9.165 -9.007 4.049 1.00 50.21 H new ATOM 138 N ILE A 12 -7.227 -11.325 1.533 1.00 24.14 N ATOM 139 CA ILE A 12 -7.752 -12.665 1.301 1.00 13.44 C ATOM 140 C ILE A 12 -6.830 -13.727 1.891 1.00 55.22 C ATOM 141 O ILE A 12 -7.285 -14.779 2.337 1.00 31.03 O ATOM 142 CB ILE A 12 -7.942 -12.942 -0.202 1.00 31.44 C ATOM 143 CG1 ILE A 12 -8.752 -11.819 -0.852 1.00 10.12 C ATOM 144 CG2 ILE A 12 -8.626 -14.285 -0.410 1.00 35.12 C ATOM 145 CD1 ILE A 12 -10.189 -11.759 -0.382 1.00 25.54 C ATOM 0 H ILE A 12 -6.799 -10.892 0.715 1.00 24.14 H new ATOM 0 HA ILE A 12 -8.722 -12.715 1.796 1.00 13.44 H new ATOM 0 HB ILE A 12 -6.961 -12.978 -0.677 1.00 31.44 H new ATOM 0 HG12 ILE A 12 -8.269 -10.865 -0.641 1.00 10.12 H new ATOM 0 HG13 ILE A 12 -8.737 -11.951 -1.934 1.00 10.12 H new ATOM 0 HG21 ILE A 12 -8.754 -14.467 -1.477 1.00 35.12 H new ATOM 0 HG22 ILE A 12 -8.013 -15.076 0.022 1.00 35.12 H new ATOM 0 HG23 ILE A 12 -9.602 -14.275 0.076 1.00 35.12 H new ATOM 0 HD11 ILE A 12 -10.702 -10.939 -0.885 1.00 25.54 H new ATOM 0 HD12 ILE A 12 -10.688 -12.699 -0.618 1.00 25.54 H new ATOM 0 HD13 ILE A 12 -10.213 -11.596 0.695 1.00 25.54 H new ATOM 157 N ASN A 13 -5.532 -13.442 1.890 1.00 72.11 N ATOM 158 CA ASN A 13 -4.545 -14.373 2.426 1.00 54.31 C ATOM 159 C ASN A 13 -4.446 -14.246 3.943 1.00 44.40 C ATOM 160 O ASN A 13 -3.940 -15.142 4.620 1.00 0.32 O ATOM 161 CB ASN A 13 -3.177 -14.119 1.791 1.00 62.15 C ATOM 162 CG ASN A 13 -2.102 -15.033 2.348 1.00 13.51 C ATOM 163 OD1 ASN A 13 -1.046 -14.573 2.784 1.00 74.43 O ATOM 164 ND2 ASN A 13 -2.368 -16.334 2.337 1.00 43.34 N ATOM 0 H ASN A 13 -5.139 -12.575 1.524 1.00 72.11 H new ATOM 0 HA ASN A 13 -4.868 -15.386 2.184 1.00 54.31 H new ATOM 0 HB2 ASN A 13 -3.248 -14.261 0.713 1.00 62.15 H new ATOM 0 HB3 ASN A 13 -2.889 -13.081 1.957 1.00 62.15 H new ATOM 0 HD21 ASN A 13 -1.684 -16.998 2.700 1.00 43.34 H new ATOM 0 HD22 ASN A 13 -3.257 -16.670 1.966 1.00 43.34 H new ATOM 171 N LEU A 14 -4.931 -13.127 4.471 1.00 73.44 N ATOM 172 CA LEU A 14 -4.898 -12.882 5.908 1.00 21.33 C ATOM 173 C LEU A 14 -6.187 -13.357 6.572 1.00 41.14 C ATOM 174 O LEU A 14 -6.189 -13.742 7.741 1.00 12.54 O ATOM 175 CB LEU A 14 -4.686 -11.393 6.187 1.00 61.21 C ATOM 176 CG LEU A 14 -3.293 -10.993 6.674 1.00 63.31 C ATOM 177 CD1 LEU A 14 -2.222 -11.576 5.765 1.00 42.01 C ATOM 178 CD2 LEU A 14 -3.167 -9.478 6.746 1.00 74.42 C ATOM 0 H LEU A 14 -5.352 -12.375 3.925 1.00 73.44 H new ATOM 0 HA LEU A 14 -4.066 -13.446 6.328 1.00 21.33 H new ATOM 0 HB2 LEU A 14 -4.903 -10.838 5.274 1.00 61.21 H new ATOM 0 HB3 LEU A 14 -5.415 -11.076 6.933 1.00 61.21 H new ATOM 0 HG LEU A 14 -3.150 -11.397 7.676 1.00 63.31 H new ATOM 0 HD11 LEU A 14 -1.237 -11.281 6.127 1.00 42.01 H new ATOM 0 HD12 LEU A 14 -2.298 -12.663 5.765 1.00 42.01 H new ATOM 0 HD13 LEU A 14 -2.363 -11.202 4.751 1.00 42.01 H new ATOM 0 HD21 LEU A 14 -2.169 -9.212 7.095 1.00 74.42 H new ATOM 0 HD22 LEU A 14 -3.331 -9.052 5.756 1.00 74.42 H new ATOM 0 HD23 LEU A 14 -3.910 -9.084 7.439 1.00 74.42 H new ATOM 190 N ILE A 15 -7.280 -13.329 5.816 1.00 2.05 N ATOM 191 CA ILE A 15 -8.574 -13.760 6.330 1.00 10.54 C ATOM 192 C ILE A 15 -8.669 -15.281 6.375 1.00 55.22 C ATOM 193 O ILE A 15 -9.315 -15.847 7.258 1.00 45.30 O ATOM 194 CB ILE A 15 -9.731 -13.208 5.476 1.00 63.52 C ATOM 195 CG1 ILE A 15 -11.077 -13.553 6.117 1.00 65.21 C ATOM 196 CG2 ILE A 15 -9.654 -13.763 4.061 1.00 55.50 C ATOM 197 CD1 ILE A 15 -11.360 -12.775 7.383 1.00 40.35 C ATOM 0 H ILE A 15 -7.295 -13.013 4.846 1.00 2.05 H new ATOM 0 HA ILE A 15 -8.660 -13.364 7.342 1.00 10.54 H new ATOM 0 HB ILE A 15 -9.642 -12.123 5.426 1.00 63.52 H new ATOM 0 HG12 ILE A 15 -11.873 -13.362 5.397 1.00 65.21 H new ATOM 0 HG13 ILE A 15 -11.100 -14.619 6.342 1.00 65.21 H new ATOM 0 HG21 ILE A 15 -10.478 -13.365 3.469 1.00 55.50 H new ATOM 0 HG22 ILE A 15 -8.707 -13.472 3.607 1.00 55.50 H new ATOM 0 HG23 ILE A 15 -9.722 -14.850 4.092 1.00 55.50 H new ATOM 0 HD11 ILE A 15 -12.330 -13.071 7.783 1.00 40.35 H new ATOM 0 HD12 ILE A 15 -10.585 -12.985 8.120 1.00 40.35 H new ATOM 0 HD13 ILE A 15 -11.369 -11.708 7.160 1.00 40.35 H new ATOM 209 N ILE A 16 -8.022 -15.937 5.418 1.00 40.21 N ATOM 210 CA ILE A 16 -8.032 -17.393 5.350 1.00 45.24 C ATOM 211 C ILE A 16 -7.621 -18.008 6.683 1.00 33.31 C ATOM 212 O ILE A 16 -8.357 -18.788 7.288 1.00 74.43 O ATOM 213 CB ILE A 16 -7.090 -17.911 4.247 1.00 42.15 C ATOM 214 CG1 ILE A 16 -7.838 -18.017 2.916 1.00 64.41 C ATOM 215 CG2 ILE A 16 -6.504 -19.258 4.640 1.00 23.43 C ATOM 216 CD1 ILE A 16 -8.569 -19.329 2.737 1.00 22.40 C ATOM 0 H ILE A 16 -7.484 -15.484 4.679 1.00 40.21 H new ATOM 0 HA ILE A 16 -9.054 -17.691 5.114 1.00 45.24 H new ATOM 0 HB ILE A 16 -6.271 -17.202 4.127 1.00 42.15 H new ATOM 0 HG12 ILE A 16 -8.554 -17.199 2.845 1.00 64.41 H new ATOM 0 HG13 ILE A 16 -7.128 -17.891 2.098 1.00 64.41 H new ATOM 0 HG21 ILE A 16 -5.841 -19.611 3.850 1.00 23.43 H new ATOM 0 HG22 ILE A 16 -5.941 -19.153 5.567 1.00 23.43 H new ATOM 0 HG23 ILE A 16 -7.310 -19.977 4.785 1.00 23.43 H new ATOM 0 HD11 ILE A 16 -9.076 -19.334 1.772 1.00 22.40 H new ATOM 0 HD12 ILE A 16 -7.855 -20.152 2.776 1.00 22.40 H new ATOM 0 HD13 ILE A 16 -9.303 -19.448 3.534 1.00 22.40 H new ATOM 228 N PRO A 17 -6.418 -17.649 7.155 1.00 33.43 N ATOM 229 CA PRO A 17 -5.883 -18.153 8.424 1.00 54.11 C ATOM 230 C PRO A 17 -6.632 -17.596 9.630 1.00 22.42 C ATOM 231 O PRO A 17 -6.712 -18.243 10.675 1.00 21.13 O ATOM 232 CB PRO A 17 -4.435 -17.659 8.419 1.00 45.11 C ATOM 233 CG PRO A 17 -4.447 -16.456 7.540 1.00 73.44 C ATOM 234 CD PRO A 17 -5.488 -16.724 6.487 1.00 2.24 C ATOM 0 HA PRO A 17 -5.978 -19.236 8.506 1.00 54.11 H new ATOM 0 HB2 PRO A 17 -4.098 -17.410 9.425 1.00 45.11 H new ATOM 0 HB3 PRO A 17 -3.758 -18.422 8.036 1.00 45.11 H new ATOM 0 HG2 PRO A 17 -4.690 -15.559 8.109 1.00 73.44 H new ATOM 0 HG3 PRO A 17 -3.468 -16.292 7.089 1.00 73.44 H new ATOM 0 HD2 PRO A 17 -5.988 -15.808 6.174 1.00 2.24 H new ATOM 0 HD3 PRO A 17 -5.051 -17.169 5.594 1.00 2.24 H new ATOM 242 N CYS A 18 -7.178 -16.395 9.479 1.00 72.12 N ATOM 243 CA CYS A 18 -7.920 -15.751 10.557 1.00 75.41 C ATOM 244 C CYS A 18 -9.038 -16.657 11.064 1.00 21.20 C ATOM 245 O CYS A 18 -9.368 -16.649 12.251 1.00 71.23 O ATOM 246 CB CYS A 18 -8.503 -14.421 10.079 1.00 14.30 C ATOM 247 SG CYS A 18 -7.473 -12.985 10.458 1.00 4.54 S ATOM 0 H CYS A 18 -7.121 -15.847 8.621 1.00 72.12 H new ATOM 0 HA CYS A 18 -7.229 -15.562 11.378 1.00 75.41 H new ATOM 0 HB2 CYS A 18 -8.656 -14.470 9.001 1.00 14.30 H new ATOM 0 HB3 CYS A 18 -9.483 -14.282 10.534 1.00 14.30 H new ATOM 0 HG CYS A 18 -6.611 -12.804 9.501 1.00 4.54 H new ATOM 253 N LEU A 19 -9.618 -17.436 10.158 1.00 61.23 N ATOM 254 CA LEU A 19 -10.700 -18.348 10.512 1.00 15.54 C ATOM 255 C LEU A 19 -10.150 -19.662 11.056 1.00 3.11 C ATOM 256 O LEU A 19 -10.588 -20.147 12.100 1.00 54.10 O ATOM 257 CB LEU A 19 -11.586 -18.617 9.295 1.00 70.44 C ATOM 258 CG LEU A 19 -11.962 -17.396 8.454 1.00 31.44 C ATOM 259 CD1 LEU A 19 -13.152 -17.709 7.561 1.00 73.41 C ATOM 260 CD2 LEU A 19 -12.265 -16.205 9.351 1.00 1.31 C ATOM 0 H LEU A 19 -9.357 -17.454 9.172 1.00 61.23 H new ATOM 0 HA LEU A 19 -11.298 -17.876 11.292 1.00 15.54 H new ATOM 0 HB2 LEU A 19 -11.076 -19.333 8.651 1.00 70.44 H new ATOM 0 HB3 LEU A 19 -12.504 -19.094 9.638 1.00 70.44 H new ATOM 0 HG LEU A 19 -11.114 -17.141 7.818 1.00 31.44 H new ATOM 0 HD11 LEU A 19 -13.405 -16.829 6.970 1.00 73.41 H new ATOM 0 HD12 LEU A 19 -12.900 -18.533 6.894 1.00 73.41 H new ATOM 0 HD13 LEU A 19 -14.006 -17.990 8.178 1.00 73.41 H new ATOM 0 HD21 LEU A 19 -12.531 -15.345 8.736 1.00 1.31 H new ATOM 0 HD22 LEU A 19 -13.097 -16.449 10.012 1.00 1.31 H new ATOM 0 HD23 LEU A 19 -11.385 -15.966 9.948 1.00 1.31 H new ATOM 272 N LEU A 20 -9.185 -20.233 10.343 1.00 1.24 N ATOM 273 CA LEU A 20 -8.571 -21.491 10.755 1.00 15.34 C ATOM 274 C LEU A 20 -8.096 -21.416 12.203 1.00 62.23 C ATOM 275 O LEU A 20 -8.335 -22.330 12.993 1.00 52.13 O ATOM 276 CB LEU A 20 -7.397 -21.833 9.837 1.00 4.44 C ATOM 277 CG LEU A 20 -7.758 -22.451 8.487 1.00 72.34 C ATOM 278 CD1 LEU A 20 -6.701 -22.116 7.446 1.00 55.43 C ATOM 279 CD2 LEU A 20 -7.921 -23.959 8.617 1.00 53.41 C ATOM 0 H LEU A 20 -8.811 -19.845 9.477 1.00 1.24 H new ATOM 0 HA LEU A 20 -9.323 -22.276 10.679 1.00 15.34 H new ATOM 0 HB2 LEU A 20 -6.826 -20.922 9.656 1.00 4.44 H new ATOM 0 HB3 LEU A 20 -6.738 -22.522 10.365 1.00 4.44 H new ATOM 0 HG LEU A 20 -8.708 -22.029 8.159 1.00 72.34 H new ATOM 0 HD11 LEU A 20 -6.975 -22.565 6.491 1.00 55.43 H new ATOM 0 HD12 LEU A 20 -6.633 -21.034 7.332 1.00 55.43 H new ATOM 0 HD13 LEU A 20 -5.736 -22.509 7.767 1.00 55.43 H new ATOM 0 HD21 LEU A 20 -8.178 -24.382 7.646 1.00 53.41 H new ATOM 0 HD22 LEU A 20 -6.987 -24.397 8.968 1.00 53.41 H new ATOM 0 HD23 LEU A 20 -8.715 -24.179 9.330 1.00 53.41 H new ATOM 291 N ILE A 21 -7.423 -20.322 12.543 1.00 34.14 N ATOM 292 CA ILE A 21 -6.917 -20.127 13.896 1.00 35.35 C ATOM 293 C ILE A 21 -8.043 -19.758 14.857 1.00 74.45 C ATOM 294 O ILE A 21 -7.991 -20.080 16.044 1.00 50.34 O ATOM 295 CB ILE A 21 -5.839 -19.029 13.942 1.00 41.24 C ATOM 296 CG1 ILE A 21 -6.456 -17.664 13.628 1.00 72.45 C ATOM 297 CG2 ILE A 21 -4.718 -19.347 12.964 1.00 42.14 C ATOM 298 CD1 ILE A 21 -5.455 -16.650 13.121 1.00 64.43 C ATOM 0 H ILE A 21 -7.216 -19.557 11.900 1.00 34.14 H new ATOM 0 HA ILE A 21 -6.473 -21.073 14.205 1.00 35.35 H new ATOM 0 HB ILE A 21 -5.419 -18.994 14.947 1.00 41.24 H new ATOM 0 HG12 ILE A 21 -7.241 -17.792 12.882 1.00 72.45 H new ATOM 0 HG13 ILE A 21 -6.932 -17.274 14.528 1.00 72.45 H new ATOM 0 HG21 ILE A 21 -3.963 -18.562 13.008 1.00 42.14 H new ATOM 0 HG22 ILE A 21 -4.264 -20.302 13.229 1.00 42.14 H new ATOM 0 HG23 ILE A 21 -5.122 -19.406 11.954 1.00 42.14 H new ATOM 0 HD11 ILE A 21 -5.963 -15.707 12.919 1.00 64.43 H new ATOM 0 HD12 ILE A 21 -4.683 -16.493 13.874 1.00 64.43 H new ATOM 0 HD13 ILE A 21 -4.997 -17.019 12.203 1.00 64.43 H new ATOM 310 N SER A 22 -9.062 -19.083 14.334 1.00 61.12 N ATOM 311 CA SER A 22 -10.201 -18.668 15.145 1.00 63.42 C ATOM 312 C SER A 22 -10.976 -19.880 15.653 1.00 61.33 C ATOM 313 O SER A 22 -11.195 -20.031 16.855 1.00 35.02 O ATOM 314 CB SER A 22 -11.127 -17.759 14.334 1.00 22.44 C ATOM 315 OG SER A 22 -10.770 -16.397 14.492 1.00 32.04 O ATOM 0 H SER A 22 -9.122 -18.812 13.353 1.00 61.12 H new ATOM 0 HA SER A 22 -9.822 -18.115 16.004 1.00 63.42 H new ATOM 0 HB2 SER A 22 -11.077 -18.031 13.280 1.00 22.44 H new ATOM 0 HB3 SER A 22 -12.159 -17.907 14.653 1.00 22.44 H new ATOM 0 HG SER A 22 -10.186 -16.124 13.754 1.00 32.04 H new ATOM 321 N CYS A 23 -11.388 -20.741 14.728 1.00 4.15 N ATOM 322 CA CYS A 23 -12.139 -21.940 15.081 1.00 34.12 C ATOM 323 C CYS A 23 -11.285 -22.894 15.909 1.00 5.12 C ATOM 324 O CYS A 23 -11.796 -23.628 16.755 1.00 34.15 O ATOM 325 CB CYS A 23 -12.635 -22.646 13.818 1.00 33.14 C ATOM 326 SG CYS A 23 -13.461 -24.224 14.131 1.00 61.12 S ATOM 0 H CYS A 23 -11.214 -20.631 13.729 1.00 4.15 H new ATOM 0 HA CYS A 23 -12.997 -21.637 15.681 1.00 34.12 H new ATOM 0 HB2 CYS A 23 -13.324 -21.985 13.292 1.00 33.14 H new ATOM 0 HB3 CYS A 23 -11.788 -22.817 13.154 1.00 33.14 H new ATOM 0 HG CYS A 23 -13.846 -24.743 13.003 1.00 61.12 H new ATOM 332 N LEU A 24 -9.980 -22.879 15.659 1.00 20.31 N ATOM 333 CA LEU A 24 -9.053 -23.744 16.380 1.00 22.34 C ATOM 334 C LEU A 24 -9.206 -23.570 17.888 1.00 40.50 C ATOM 335 O LEU A 24 -9.321 -24.546 18.629 1.00 24.33 O ATOM 336 CB LEU A 24 -7.613 -23.441 15.964 1.00 5.11 C ATOM 337 CG LEU A 24 -6.857 -24.581 15.281 1.00 21.51 C ATOM 338 CD1 LEU A 24 -5.817 -24.031 14.318 1.00 63.12 C ATOM 339 CD2 LEU A 24 -6.202 -25.483 16.317 1.00 35.44 C ATOM 0 H LEU A 24 -9.540 -22.277 14.963 1.00 20.31 H new ATOM 0 HA LEU A 24 -9.288 -24.778 16.126 1.00 22.34 H new ATOM 0 HB2 LEU A 24 -7.623 -22.584 15.290 1.00 5.11 H new ATOM 0 HB3 LEU A 24 -7.055 -23.142 16.851 1.00 5.11 H new ATOM 0 HG LEU A 24 -7.572 -25.175 14.711 1.00 21.51 H new ATOM 0 HD11 LEU A 24 -5.289 -24.857 13.842 1.00 63.12 H new ATOM 0 HD12 LEU A 24 -6.310 -23.428 13.556 1.00 63.12 H new ATOM 0 HD13 LEU A 24 -5.105 -23.413 14.865 1.00 63.12 H new ATOM 0 HD21 LEU A 24 -5.669 -26.289 15.813 1.00 35.44 H new ATOM 0 HD22 LEU A 24 -5.500 -24.901 16.914 1.00 35.44 H new ATOM 0 HD23 LEU A 24 -6.968 -25.906 16.967 1.00 35.44 H new ATOM 351 N THR A 25 -9.209 -22.318 18.336 1.00 12.13 N ATOM 352 CA THR A 25 -9.349 -22.014 19.755 1.00 73.52 C ATOM 353 C THR A 25 -10.755 -22.335 20.249 1.00 31.35 C ATOM 354 O THR A 25 -10.950 -22.684 21.414 1.00 1.41 O ATOM 355 CB THR A 25 -9.040 -20.534 20.046 1.00 55.32 C ATOM 356 OG1 THR A 25 -7.790 -20.168 19.452 1.00 23.31 O ATOM 357 CG2 THR A 25 -8.991 -20.276 21.544 1.00 10.42 C ATOM 0 H THR A 25 -9.116 -21.498 17.736 1.00 12.13 H new ATOM 0 HA THR A 25 -8.629 -22.638 20.285 1.00 73.52 H new ATOM 0 HB THR A 25 -9.837 -19.928 19.615 1.00 55.32 H new ATOM 0 HG1 THR A 25 -7.602 -19.225 19.640 1.00 23.31 H new ATOM 0 HG21 THR A 25 -8.771 -19.224 21.725 1.00 10.42 H new ATOM 0 HG22 THR A 25 -9.954 -20.527 21.988 1.00 10.42 H new ATOM 0 HG23 THR A 25 -8.212 -20.892 21.994 1.00 10.42 H new ATOM 365 N VAL A 26 -11.733 -22.216 19.357 1.00 70.50 N ATOM 366 CA VAL A 26 -13.122 -22.496 19.703 1.00 44.14 C ATOM 367 C VAL A 26 -13.352 -23.992 19.886 1.00 1.34 C ATOM 368 O VAL A 26 -14.230 -24.408 20.644 1.00 42.43 O ATOM 369 CB VAL A 26 -14.086 -21.968 18.624 1.00 42.13 C ATOM 370 CG1 VAL A 26 -15.531 -22.178 19.050 1.00 62.24 C ATOM 371 CG2 VAL A 26 -13.814 -20.499 18.340 1.00 45.54 C ATOM 0 H VAL A 26 -11.589 -21.928 18.389 1.00 70.50 H new ATOM 0 HA VAL A 26 -13.324 -21.983 20.643 1.00 44.14 H new ATOM 0 HB VAL A 26 -13.918 -22.530 17.705 1.00 42.13 H new ATOM 0 HG11 VAL A 26 -16.197 -21.799 18.275 1.00 62.24 H new ATOM 0 HG12 VAL A 26 -15.716 -23.242 19.199 1.00 62.24 H new ATOM 0 HG13 VAL A 26 -15.717 -21.644 19.982 1.00 62.24 H new ATOM 0 HG21 VAL A 26 -14.504 -20.142 17.575 1.00 45.54 H new ATOM 0 HG22 VAL A 26 -13.953 -19.920 19.253 1.00 45.54 H new ATOM 0 HG23 VAL A 26 -12.789 -20.380 17.988 1.00 45.54 H new ATOM 381 N LEU A 27 -12.558 -24.797 19.189 1.00 2.23 N ATOM 382 CA LEU A 27 -12.674 -26.248 19.275 1.00 20.44 C ATOM 383 C LEU A 27 -12.208 -26.752 20.638 1.00 62.24 C ATOM 384 O LEU A 27 -12.992 -27.306 21.408 1.00 12.22 O ATOM 385 CB LEU A 27 -11.856 -26.912 18.166 1.00 2.02 C ATOM 386 CG LEU A 27 -12.590 -27.954 17.322 1.00 34.11 C ATOM 387 CD1 LEU A 27 -13.237 -29.003 18.213 1.00 21.31 C ATOM 388 CD2 LEU A 27 -13.634 -27.286 16.439 1.00 42.42 C ATOM 0 H LEU A 27 -11.827 -24.469 18.558 1.00 2.23 H new ATOM 0 HA LEU A 27 -13.724 -26.512 19.150 1.00 20.44 H new ATOM 0 HB2 LEU A 27 -11.483 -26.133 17.501 1.00 2.02 H new ATOM 0 HB3 LEU A 27 -10.986 -27.388 18.619 1.00 2.02 H new ATOM 0 HG LEU A 27 -11.863 -28.450 16.679 1.00 34.11 H new ATOM 0 HD11 LEU A 27 -13.755 -29.736 17.595 1.00 21.31 H new ATOM 0 HD12 LEU A 27 -12.469 -29.503 18.803 1.00 21.31 H new ATOM 0 HD13 LEU A 27 -13.952 -28.522 18.881 1.00 21.31 H new ATOM 0 HD21 LEU A 27 -14.147 -28.043 15.845 1.00 42.42 H new ATOM 0 HD22 LEU A 27 -14.358 -26.763 17.064 1.00 42.42 H new ATOM 0 HD23 LEU A 27 -13.146 -26.573 15.775 1.00 42.42 H new ATOM 400 N VAL A 28 -10.926 -26.555 20.929 1.00 40.41 N ATOM 401 CA VAL A 28 -10.356 -26.986 22.200 1.00 45.24 C ATOM 402 C VAL A 28 -11.160 -26.443 23.375 1.00 5.54 C ATOM 403 O VAL A 28 -11.227 -27.065 24.436 1.00 41.23 O ATOM 404 CB VAL A 28 -8.890 -26.532 22.340 1.00 55.40 C ATOM 405 CG1 VAL A 28 -8.775 -25.029 22.136 1.00 14.44 C ATOM 406 CG2 VAL A 28 -8.335 -26.938 23.696 1.00 23.34 C ATOM 0 H VAL A 28 -10.263 -26.100 20.302 1.00 40.41 H new ATOM 0 HA VAL A 28 -10.394 -28.075 22.211 1.00 45.24 H new ATOM 0 HB VAL A 28 -8.299 -27.025 21.568 1.00 55.40 H new ATOM 0 HG11 VAL A 28 -7.733 -24.727 22.239 1.00 14.44 H new ATOM 0 HG12 VAL A 28 -9.132 -24.769 21.140 1.00 14.44 H new ATOM 0 HG13 VAL A 28 -9.378 -24.513 22.884 1.00 14.44 H new ATOM 0 HG21 VAL A 28 -7.299 -26.610 23.778 1.00 23.34 H new ATOM 0 HG22 VAL A 28 -8.926 -26.474 24.485 1.00 23.34 H new ATOM 0 HG23 VAL A 28 -8.381 -28.022 23.798 1.00 23.34 H new ATOM 416 N PHE A 29 -11.769 -25.278 23.181 1.00 42.34 N ATOM 417 CA PHE A 29 -12.569 -24.649 24.225 1.00 21.34 C ATOM 418 C PHE A 29 -13.904 -25.368 24.394 1.00 32.03 C ATOM 419 O PHE A 29 -14.453 -25.431 25.495 1.00 60.03 O ATOM 420 CB PHE A 29 -12.809 -23.174 23.896 1.00 23.50 C ATOM 421 CG PHE A 29 -11.731 -22.263 24.408 1.00 5.21 C ATOM 422 CD1 PHE A 29 -10.395 -22.612 24.288 1.00 10.31 C ATOM 423 CD2 PHE A 29 -12.053 -21.057 25.010 1.00 24.11 C ATOM 424 CE1 PHE A 29 -9.400 -21.775 24.758 1.00 53.10 C ATOM 425 CE2 PHE A 29 -11.062 -20.216 25.481 1.00 33.15 C ATOM 426 CZ PHE A 29 -9.735 -20.576 25.356 1.00 4.14 C ATOM 0 H PHE A 29 -11.724 -24.750 22.309 1.00 42.34 H new ATOM 0 HA PHE A 29 -12.017 -24.719 25.162 1.00 21.34 H new ATOM 0 HB2 PHE A 29 -12.888 -23.059 22.815 1.00 23.50 H new ATOM 0 HB3 PHE A 29 -13.765 -22.866 24.319 1.00 23.50 H new ATOM 0 HD1 PHE A 29 -10.128 -23.549 23.822 1.00 10.31 H new ATOM 0 HD2 PHE A 29 -13.089 -20.771 25.112 1.00 24.11 H new ATOM 0 HE1 PHE A 29 -8.363 -22.058 24.658 1.00 53.10 H new ATOM 0 HE2 PHE A 29 -11.326 -19.278 25.947 1.00 33.15 H new ATOM 0 HZ PHE A 29 -8.960 -19.921 25.725 1.00 4.14 H new ATOM 436 N TYR A 30 -14.421 -25.908 23.296 1.00 14.14 N ATOM 437 CA TYR A 30 -15.694 -26.620 23.321 1.00 2.40 C ATOM 438 C TYR A 30 -15.548 -27.972 24.011 1.00 31.33 C ATOM 439 O TYR A 30 -16.393 -28.366 24.817 1.00 63.13 O ATOM 440 CB TYR A 30 -16.221 -26.815 21.898 1.00 4.43 C ATOM 441 CG TYR A 30 -17.119 -28.021 21.745 1.00 13.15 C ATOM 442 CD1 TYR A 30 -18.400 -28.030 22.284 1.00 12.02 C ATOM 443 CD2 TYR A 30 -16.688 -29.152 21.063 1.00 4.35 C ATOM 444 CE1 TYR A 30 -19.225 -29.130 22.148 1.00 63.13 C ATOM 445 CE2 TYR A 30 -17.506 -30.256 20.921 1.00 43.41 C ATOM 446 CZ TYR A 30 -18.773 -30.240 21.465 1.00 71.12 C ATOM 447 OH TYR A 30 -19.591 -31.338 21.326 1.00 24.31 O ATOM 0 H TYR A 30 -13.979 -25.867 22.378 1.00 14.14 H new ATOM 0 HA TYR A 30 -16.407 -26.019 23.886 1.00 2.40 H new ATOM 0 HB2 TYR A 30 -16.771 -25.923 21.598 1.00 4.43 H new ATOM 0 HB3 TYR A 30 -15.376 -26.913 21.217 1.00 4.43 H new ATOM 0 HD1 TYR A 30 -18.757 -27.162 22.818 1.00 12.02 H new ATOM 0 HD2 TYR A 30 -15.696 -29.168 20.636 1.00 4.35 H new ATOM 0 HE1 TYR A 30 -20.217 -29.121 22.574 1.00 63.13 H new ATOM 0 HE2 TYR A 30 -17.155 -31.127 20.387 1.00 43.41 H new ATOM 0 HH TYR A 30 -19.122 -32.033 20.818 1.00 24.31 H new ATOM 457 N LEU A 31 -14.470 -28.680 23.690 1.00 13.54 N ATOM 458 CA LEU A 31 -14.211 -29.989 24.279 1.00 12.12 C ATOM 459 C LEU A 31 -12.769 -30.091 24.766 1.00 72.53 C ATOM 460 O LEU A 31 -11.934 -30.774 24.171 1.00 55.41 O ATOM 461 CB LEU A 31 -14.498 -31.094 23.261 1.00 44.44 C ATOM 462 CG LEU A 31 -14.858 -32.463 23.839 1.00 45.33 C ATOM 463 CD1 LEU A 31 -15.510 -33.335 22.778 1.00 64.54 C ATOM 464 CD2 LEU A 31 -13.621 -33.144 24.406 1.00 43.00 C ATOM 0 H LEU A 31 -13.762 -28.369 23.025 1.00 13.54 H new ATOM 0 HA LEU A 31 -14.874 -30.113 25.136 1.00 12.12 H new ATOM 0 HB2 LEU A 31 -15.316 -30.766 22.620 1.00 44.44 H new ATOM 0 HB3 LEU A 31 -13.621 -31.210 22.624 1.00 44.44 H new ATOM 0 HG LEU A 31 -15.572 -32.318 24.650 1.00 45.33 H new ATOM 0 HD11 LEU A 31 -15.759 -34.305 23.207 1.00 64.54 H new ATOM 0 HD12 LEU A 31 -16.419 -32.853 22.419 1.00 64.54 H new ATOM 0 HD13 LEU A 31 -14.820 -33.473 21.946 1.00 64.54 H new ATOM 0 HD21 LEU A 31 -13.896 -34.117 24.813 1.00 43.00 H new ATOM 0 HD22 LEU A 31 -12.884 -33.277 23.614 1.00 43.00 H new ATOM 0 HD23 LEU A 31 -13.196 -32.526 25.197 1.00 43.00 H new ATOM 476 N PRO A 32 -12.468 -29.400 25.875 1.00 40.12 N ATOM 477 CA PRO A 32 -11.127 -29.399 26.468 1.00 73.23 C ATOM 478 C PRO A 32 -10.768 -30.744 27.091 1.00 54.13 C ATOM 479 O PRO A 32 -11.644 -31.486 27.536 1.00 2.34 O ATOM 480 CB PRO A 32 -11.217 -28.317 27.546 1.00 10.04 C ATOM 481 CG PRO A 32 -12.663 -28.254 27.901 1.00 24.50 C ATOM 482 CD PRO A 32 -13.413 -28.566 26.636 1.00 52.43 C ATOM 0 HA PRO A 32 -10.352 -29.215 25.724 1.00 73.23 H new ATOM 0 HB2 PRO A 32 -10.607 -28.571 28.413 1.00 10.04 H new ATOM 0 HB3 PRO A 32 -10.859 -27.357 27.174 1.00 10.04 H new ATOM 0 HG2 PRO A 32 -12.904 -28.972 28.685 1.00 24.50 H new ATOM 0 HG3 PRO A 32 -12.929 -27.267 28.280 1.00 24.50 H new ATOM 0 HD2 PRO A 32 -14.343 -29.097 26.841 1.00 52.43 H new ATOM 0 HD3 PRO A 32 -13.677 -27.659 26.092 1.00 52.43 H new ATOM 490 N SER A 33 -9.476 -31.052 27.119 1.00 44.32 N ATOM 491 CA SER A 33 -9.001 -32.309 27.685 1.00 74.23 C ATOM 492 C SER A 33 -7.697 -32.103 28.449 1.00 62.45 C ATOM 493 O SER A 33 -7.229 -30.976 28.605 1.00 21.25 O ATOM 494 CB SER A 33 -8.800 -33.347 26.579 1.00 42.23 C ATOM 495 OG SER A 33 -7.897 -32.874 25.594 1.00 11.21 O ATOM 0 H SER A 33 -8.739 -30.448 26.756 1.00 44.32 H new ATOM 0 HA SER A 33 -9.756 -32.673 28.382 1.00 74.23 H new ATOM 0 HB2 SER A 33 -8.420 -34.273 27.010 1.00 42.23 H new ATOM 0 HB3 SER A 33 -9.759 -33.580 26.116 1.00 42.23 H new ATOM 0 HG SER A 33 -7.784 -33.556 24.899 1.00 11.21 H new ATOM 501 N GLU A 34 -7.115 -33.202 28.921 1.00 14.41 N ATOM 502 CA GLU A 34 -5.865 -33.142 29.669 1.00 12.31 C ATOM 503 C GLU A 34 -6.030 -32.312 30.939 1.00 12.30 C ATOM 504 O GLU A 34 -7.142 -31.920 31.297 1.00 24.33 O ATOM 505 CB GLU A 34 -4.753 -32.550 28.801 1.00 52.44 C ATOM 506 CG GLU A 34 -3.551 -33.465 28.644 1.00 62.13 C ATOM 507 CD GLU A 34 -2.296 -32.893 29.274 1.00 43.13 C ATOM 508 OE1 GLU A 34 -2.369 -32.435 30.433 1.00 22.41 O ATOM 509 OE2 GLU A 34 -1.240 -32.903 28.606 1.00 31.23 O ATOM 0 H GLU A 34 -7.489 -34.143 28.799 1.00 14.41 H new ATOM 0 HA GLU A 34 -5.592 -34.159 29.953 1.00 12.31 H new ATOM 0 HB2 GLU A 34 -5.156 -32.322 27.814 1.00 52.44 H new ATOM 0 HB3 GLU A 34 -4.426 -31.606 29.238 1.00 52.44 H new ATOM 0 HG2 GLU A 34 -3.773 -34.431 29.098 1.00 62.13 H new ATOM 0 HG3 GLU A 34 -3.372 -33.644 27.584 1.00 62.13 H new ATOM 516 N CYS A 35 -4.917 -32.048 31.615 1.00 75.02 N ATOM 517 CA CYS A 35 -4.938 -31.266 32.846 1.00 42.11 C ATOM 518 C CYS A 35 -5.315 -29.815 32.562 1.00 23.43 C ATOM 519 O CYS A 35 -6.114 -29.219 33.282 1.00 13.01 O ATOM 520 CB CYS A 35 -3.574 -31.326 33.535 1.00 1.32 C ATOM 521 SG CYS A 35 -3.642 -31.101 35.328 1.00 74.00 S ATOM 0 H CYS A 35 -3.989 -32.364 31.332 1.00 75.02 H new ATOM 0 HA CYS A 35 -5.691 -31.695 33.508 1.00 42.11 H new ATOM 0 HB2 CYS A 35 -3.111 -32.289 33.318 1.00 1.32 H new ATOM 0 HB3 CYS A 35 -2.929 -30.558 33.107 1.00 1.32 H new ATOM 0 HG CYS A 35 -2.441 -31.170 35.820 1.00 74.00 H new ATOM 527 N GLY A 36 -4.731 -29.253 31.508 1.00 11.23 N ATOM 528 CA GLY A 36 -5.017 -27.876 31.149 1.00 23.02 C ATOM 529 C GLY A 36 -4.434 -27.495 29.803 1.00 71.24 C ATOM 530 O GLY A 36 -3.946 -26.380 29.624 1.00 54.21 O ATOM 0 H GLY A 36 -4.065 -29.726 30.897 1.00 11.23 H new ATOM 0 HA2 GLY A 36 -6.096 -27.725 31.130 1.00 23.02 H new ATOM 0 HA3 GLY A 36 -4.616 -27.213 31.916 1.00 23.02 H new ATOM 534 N GLU A 37 -4.484 -28.425 28.854 1.00 45.02 N ATOM 535 CA GLU A 37 -3.954 -28.181 27.517 1.00 3.44 C ATOM 536 C GLU A 37 -4.626 -26.969 26.879 1.00 51.32 C ATOM 537 O GLU A 37 -4.061 -26.325 25.994 1.00 12.24 O ATOM 538 CB GLU A 37 -4.152 -29.413 26.633 1.00 72.14 C ATOM 539 CG GLU A 37 -3.156 -29.509 25.490 1.00 43.34 C ATOM 540 CD GLU A 37 -1.841 -30.134 25.913 1.00 62.31 C ATOM 541 OE1 GLU A 37 -1.864 -31.264 26.445 1.00 54.33 O ATOM 542 OE2 GLU A 37 -0.788 -29.494 25.712 1.00 42.44 O ATOM 0 H GLU A 37 -4.886 -29.353 28.986 1.00 45.02 H new ATOM 0 HA GLU A 37 -2.887 -27.977 27.608 1.00 3.44 H new ATOM 0 HB2 GLU A 37 -4.072 -30.308 27.249 1.00 72.14 H new ATOM 0 HB3 GLU A 37 -5.162 -29.397 26.223 1.00 72.14 H new ATOM 0 HG2 GLU A 37 -3.591 -30.098 24.683 1.00 43.34 H new ATOM 0 HG3 GLU A 37 -2.969 -28.512 25.092 1.00 43.34 H new ATOM 549 N LYS A 38 -5.837 -26.664 27.333 1.00 51.12 N ATOM 550 CA LYS A 38 -6.588 -25.530 26.808 1.00 14.20 C ATOM 551 C LYS A 38 -5.819 -24.228 27.008 1.00 21.10 C ATOM 552 O LYS A 38 -5.681 -23.429 26.081 1.00 63.40 O ATOM 553 CB LYS A 38 -7.955 -25.437 27.491 1.00 62.12 C ATOM 554 CG LYS A 38 -8.573 -24.051 27.429 1.00 4.14 C ATOM 555 CD LYS A 38 -10.056 -24.086 27.759 1.00 65.21 C ATOM 556 CE LYS A 38 -10.325 -23.585 29.169 1.00 32.14 C ATOM 557 NZ LYS A 38 -11.407 -24.361 29.836 1.00 12.03 N ATOM 0 H LYS A 38 -6.319 -27.187 28.064 1.00 51.12 H new ATOM 0 HA LYS A 38 -6.732 -25.686 25.739 1.00 14.20 H new ATOM 0 HB2 LYS A 38 -8.634 -26.150 27.024 1.00 62.12 H new ATOM 0 HB3 LYS A 38 -7.851 -25.733 28.535 1.00 62.12 H new ATOM 0 HG2 LYS A 38 -8.059 -23.391 28.128 1.00 4.14 H new ATOM 0 HG3 LYS A 38 -8.431 -23.633 26.433 1.00 4.14 H new ATOM 0 HD2 LYS A 38 -10.604 -23.473 27.043 1.00 65.21 H new ATOM 0 HD3 LYS A 38 -10.429 -25.105 27.657 1.00 65.21 H new ATOM 0 HE2 LYS A 38 -9.411 -23.654 29.760 1.00 32.14 H new ATOM 0 HE3 LYS A 38 -10.603 -22.532 29.133 1.00 32.14 H new ATOM 0 HZ1 LYS A 38 -11.560 -23.989 30.795 1.00 12.03 H new ATOM 0 HZ2 LYS A 38 -12.286 -24.275 29.286 1.00 12.03 H new ATOM 0 HZ3 LYS A 38 -11.132 -25.362 29.893 1.00 12.03 H new ATOM 571 N ILE A 39 -5.319 -24.022 28.222 1.00 55.21 N ATOM 572 CA ILE A 39 -4.562 -22.818 28.541 1.00 30.23 C ATOM 573 C ILE A 39 -3.242 -22.781 27.779 1.00 41.11 C ATOM 574 O ILE A 39 -2.805 -21.724 27.322 1.00 51.01 O ATOM 575 CB ILE A 39 -4.273 -22.719 30.051 1.00 50.12 C ATOM 576 CG1 ILE A 39 -5.579 -22.570 30.834 1.00 52.55 C ATOM 577 CG2 ILE A 39 -3.342 -21.550 30.336 1.00 24.31 C ATOM 578 CD1 ILE A 39 -5.988 -23.825 31.572 1.00 1.32 C ATOM 0 H ILE A 39 -5.424 -24.673 29.000 1.00 55.21 H new ATOM 0 HA ILE A 39 -5.176 -21.969 28.240 1.00 30.23 H new ATOM 0 HB ILE A 39 -3.781 -23.637 30.373 1.00 50.12 H new ATOM 0 HG12 ILE A 39 -5.473 -21.755 31.550 1.00 52.55 H new ATOM 0 HG13 ILE A 39 -6.375 -22.287 30.146 1.00 52.55 H new ATOM 0 HG21 ILE A 39 -3.147 -21.493 31.407 1.00 24.31 H new ATOM 0 HG22 ILE A 39 -2.402 -21.695 29.803 1.00 24.31 H new ATOM 0 HG23 ILE A 39 -3.809 -20.623 30.002 1.00 24.31 H new ATOM 0 HD11 ILE A 39 -6.922 -23.646 32.105 1.00 1.32 H new ATOM 0 HD12 ILE A 39 -6.127 -24.638 30.859 1.00 1.32 H new ATOM 0 HD13 ILE A 39 -5.210 -24.097 32.285 1.00 1.32 H new ATOM 590 N THR A 40 -2.610 -23.943 27.643 1.00 10.31 N ATOM 591 CA THR A 40 -1.340 -24.044 26.935 1.00 10.14 C ATOM 592 C THR A 40 -1.486 -23.613 25.480 1.00 24.53 C ATOM 593 O THR A 40 -0.573 -23.020 24.903 1.00 33.13 O ATOM 594 CB THR A 40 -0.784 -25.480 26.981 1.00 53.20 C ATOM 595 OG1 THR A 40 -0.234 -25.751 28.275 1.00 62.13 O ATOM 596 CG2 THR A 40 0.284 -25.680 25.917 1.00 24.42 C ATOM 0 H THR A 40 -2.957 -24.827 28.014 1.00 10.31 H new ATOM 0 HA THR A 40 -0.642 -23.376 27.440 1.00 10.14 H new ATOM 0 HB THR A 40 -1.604 -26.171 26.784 1.00 53.20 H new ATOM 0 HG1 THR A 40 0.116 -26.666 28.297 1.00 62.13 H new ATOM 0 HG21 THR A 40 0.662 -26.701 25.968 1.00 24.42 H new ATOM 0 HG22 THR A 40 -0.146 -25.502 24.932 1.00 24.42 H new ATOM 0 HG23 THR A 40 1.103 -24.981 26.087 1.00 24.42 H new ATOM 604 N LEU A 41 -2.638 -23.915 24.892 1.00 43.14 N ATOM 605 CA LEU A 41 -2.903 -23.558 23.502 1.00 34.03 C ATOM 606 C LEU A 41 -3.262 -22.081 23.379 1.00 41.45 C ATOM 607 O LEU A 41 -3.027 -21.460 22.341 1.00 12.52 O ATOM 608 CB LEU A 41 -4.037 -24.418 22.942 1.00 33.40 C ATOM 609 CG LEU A 41 -3.754 -25.119 21.613 1.00 72.31 C ATOM 610 CD1 LEU A 41 -2.591 -26.089 21.758 1.00 55.24 C ATOM 611 CD2 LEU A 41 -4.997 -25.844 21.117 1.00 61.30 C ATOM 0 H LEU A 41 -3.403 -24.406 25.355 1.00 43.14 H new ATOM 0 HA LEU A 41 -1.996 -23.742 22.926 1.00 34.03 H new ATOM 0 HB2 LEU A 41 -4.291 -25.176 23.683 1.00 33.40 H new ATOM 0 HB3 LEU A 41 -4.917 -23.787 22.817 1.00 33.40 H new ATOM 0 HG LEU A 41 -3.480 -24.363 20.877 1.00 72.31 H new ATOM 0 HD11 LEU A 41 -2.404 -26.579 20.802 1.00 55.24 H new ATOM 0 HD12 LEU A 41 -1.699 -25.544 22.067 1.00 55.24 H new ATOM 0 HD13 LEU A 41 -2.835 -26.840 22.509 1.00 55.24 H new ATOM 0 HD21 LEU A 41 -4.777 -26.337 20.170 1.00 61.30 H new ATOM 0 HD22 LEU A 41 -5.301 -26.589 21.852 1.00 61.30 H new ATOM 0 HD23 LEU A 41 -5.804 -25.126 20.973 1.00 61.30 H new ATOM 623 N CYS A 42 -3.829 -21.524 24.443 1.00 52.13 N ATOM 624 CA CYS A 42 -4.219 -20.118 24.454 1.00 23.20 C ATOM 625 C CYS A 42 -2.991 -19.214 24.418 1.00 53.42 C ATOM 626 O CYS A 42 -3.043 -18.101 23.893 1.00 74.14 O ATOM 627 CB CYS A 42 -5.058 -19.810 25.695 1.00 60.12 C ATOM 628 SG CYS A 42 -5.477 -18.062 25.887 1.00 55.22 S ATOM 0 H CYS A 42 -4.029 -22.024 25.309 1.00 52.13 H new ATOM 0 HA CYS A 42 -4.817 -19.925 23.563 1.00 23.20 H new ATOM 0 HB2 CYS A 42 -5.979 -20.391 25.651 1.00 60.12 H new ATOM 0 HB3 CYS A 42 -4.514 -20.142 26.580 1.00 60.12 H new ATOM 0 HG CYS A 42 -4.671 -17.341 25.166 1.00 55.22 H new ATOM 634 N ILE A 43 -1.889 -19.698 24.981 1.00 53.35 N ATOM 635 CA ILE A 43 -0.649 -18.932 25.013 1.00 72.32 C ATOM 636 C ILE A 43 0.086 -19.021 23.680 1.00 43.30 C ATOM 637 O ILE A 43 0.536 -18.011 23.139 1.00 4.44 O ATOM 638 CB ILE A 43 0.285 -19.421 26.135 1.00 21.43 C ATOM 639 CG1 ILE A 43 -0.360 -19.189 27.503 1.00 0.21 C ATOM 640 CG2 ILE A 43 1.630 -18.715 26.051 1.00 53.33 C ATOM 641 CD1 ILE A 43 -0.049 -20.274 28.510 1.00 12.11 C ATOM 0 H ILE A 43 -1.829 -20.616 25.421 1.00 53.35 H new ATOM 0 HA ILE A 43 -0.923 -17.895 25.206 1.00 72.32 H new ATOM 0 HB ILE A 43 0.450 -20.491 26.009 1.00 21.43 H new ATOM 0 HG12 ILE A 43 -0.022 -18.231 27.897 1.00 0.21 H new ATOM 0 HG13 ILE A 43 -1.441 -19.119 27.379 1.00 0.21 H new ATOM 0 HG21 ILE A 43 2.279 -19.072 26.851 1.00 53.33 H new ATOM 0 HG22 ILE A 43 2.093 -18.927 25.087 1.00 53.33 H new ATOM 0 HG23 ILE A 43 1.484 -17.640 26.155 1.00 53.33 H new ATOM 0 HD11 ILE A 43 -0.539 -20.044 29.456 1.00 12.11 H new ATOM 0 HD12 ILE A 43 -0.412 -21.232 28.137 1.00 12.11 H new ATOM 0 HD13 ILE A 43 1.029 -20.330 28.664 1.00 12.11 H new ATOM 653 N SER A 44 0.203 -20.236 23.154 1.00 0.12 N ATOM 654 CA SER A 44 0.886 -20.457 21.885 1.00 74.23 C ATOM 655 C SER A 44 0.252 -19.624 20.775 1.00 73.23 C ATOM 656 O SER A 44 0.906 -18.775 20.169 1.00 70.41 O ATOM 657 CB SER A 44 0.845 -21.940 21.511 1.00 20.34 C ATOM 658 OG SER A 44 0.931 -22.115 20.108 1.00 60.52 O ATOM 0 H SER A 44 -0.166 -21.082 23.587 1.00 0.12 H new ATOM 0 HA SER A 44 1.925 -20.147 22.001 1.00 74.23 H new ATOM 0 HB2 SER A 44 1.668 -22.464 21.997 1.00 20.34 H new ATOM 0 HB3 SER A 44 -0.079 -22.386 21.880 1.00 20.34 H new ATOM 0 HG SER A 44 0.904 -23.071 19.895 1.00 60.52 H new ATOM 664 N VAL A 45 -1.028 -19.874 20.513 1.00 5.43 N ATOM 665 CA VAL A 45 -1.752 -19.147 19.477 1.00 22.13 C ATOM 666 C VAL A 45 -1.616 -17.640 19.666 1.00 72.32 C ATOM 667 O VAL A 45 -1.306 -16.911 18.723 1.00 55.12 O ATOM 668 CB VAL A 45 -3.246 -19.520 19.471 1.00 72.14 C ATOM 669 CG1 VAL A 45 -4.007 -18.659 18.474 1.00 32.00 C ATOM 670 CG2 VAL A 45 -3.425 -20.998 19.156 1.00 4.23 C ATOM 0 H VAL A 45 -1.584 -20.574 21.004 1.00 5.43 H new ATOM 0 HA VAL A 45 -1.310 -19.431 18.522 1.00 22.13 H new ATOM 0 HB VAL A 45 -3.654 -19.331 20.464 1.00 72.14 H new ATOM 0 HG11 VAL A 45 -5.061 -18.937 18.483 1.00 32.00 H new ATOM 0 HG12 VAL A 45 -3.906 -17.609 18.748 1.00 32.00 H new ATOM 0 HG13 VAL A 45 -3.600 -18.814 17.475 1.00 32.00 H new ATOM 0 HG21 VAL A 45 -4.487 -21.244 19.156 1.00 4.23 H new ATOM 0 HG22 VAL A 45 -3.002 -21.215 18.175 1.00 4.23 H new ATOM 0 HG23 VAL A 45 -2.914 -21.595 19.911 1.00 4.23 H new ATOM 680 N LEU A 46 -1.850 -17.180 20.890 1.00 45.53 N ATOM 681 CA LEU A 46 -1.753 -15.758 21.203 1.00 21.14 C ATOM 682 C LEU A 46 -0.389 -15.204 20.804 1.00 52.22 C ATOM 683 O LEU A 46 -0.285 -14.083 20.303 1.00 70.32 O ATOM 684 CB LEU A 46 -1.992 -15.528 22.697 1.00 51.14 C ATOM 685 CG LEU A 46 -1.566 -14.164 23.242 1.00 33.31 C ATOM 686 CD1 LEU A 46 -2.355 -13.051 22.570 1.00 4.21 C ATOM 687 CD2 LEU A 46 -1.749 -14.113 24.752 1.00 61.30 C ATOM 0 H LEU A 46 -2.108 -17.770 21.681 1.00 45.53 H new ATOM 0 HA LEU A 46 -2.519 -15.232 20.633 1.00 21.14 H new ATOM 0 HB2 LEU A 46 -3.055 -15.662 22.900 1.00 51.14 H new ATOM 0 HB3 LEU A 46 -1.461 -16.301 23.253 1.00 51.14 H new ATOM 0 HG LEU A 46 -0.509 -14.018 23.019 1.00 33.31 H new ATOM 0 HD11 LEU A 46 -2.039 -12.088 22.970 1.00 4.21 H new ATOM 0 HD12 LEU A 46 -2.174 -13.074 21.495 1.00 4.21 H new ATOM 0 HD13 LEU A 46 -3.419 -13.192 22.762 1.00 4.21 H new ATOM 0 HD21 LEU A 46 -1.441 -13.135 25.123 1.00 61.30 H new ATOM 0 HD22 LEU A 46 -2.798 -14.280 24.997 1.00 61.30 H new ATOM 0 HD23 LEU A 46 -1.139 -14.887 25.219 1.00 61.30 H new ATOM 699 N LEU A 47 0.654 -15.996 21.026 1.00 12.23 N ATOM 700 CA LEU A 47 2.012 -15.586 20.687 1.00 1.43 C ATOM 701 C LEU A 47 2.095 -15.123 19.236 1.00 21.40 C ATOM 702 O LEU A 47 2.468 -13.984 18.957 1.00 11.14 O ATOM 703 CB LEU A 47 2.988 -16.739 20.924 1.00 63.33 C ATOM 704 CG LEU A 47 4.185 -16.432 21.824 1.00 3.21 C ATOM 705 CD1 LEU A 47 5.097 -15.406 21.168 1.00 21.54 C ATOM 706 CD2 LEU A 47 3.716 -15.938 23.185 1.00 61.11 C ATOM 0 H LEU A 47 0.585 -16.926 21.439 1.00 12.23 H new ATOM 0 HA LEU A 47 2.284 -14.750 21.331 1.00 1.43 H new ATOM 0 HB2 LEU A 47 2.436 -17.572 21.359 1.00 63.33 H new ATOM 0 HB3 LEU A 47 3.363 -17.076 19.957 1.00 63.33 H new ATOM 0 HG LEU A 47 4.752 -17.352 21.969 1.00 3.21 H new ATOM 0 HD11 LEU A 47 5.943 -15.200 21.823 1.00 21.54 H new ATOM 0 HD12 LEU A 47 5.460 -15.797 20.218 1.00 21.54 H new ATOM 0 HD13 LEU A 47 4.541 -14.485 20.992 1.00 21.54 H new ATOM 0 HD21 LEU A 47 4.581 -15.724 23.813 1.00 61.11 H new ATOM 0 HD22 LEU A 47 3.126 -15.030 23.059 1.00 61.11 H new ATOM 0 HD23 LEU A 47 3.104 -16.705 23.660 1.00 61.11 H new ATOM 718 N SER A 48 1.743 -16.015 18.315 1.00 22.13 N ATOM 719 CA SER A 48 1.779 -15.699 16.892 1.00 23.42 C ATOM 720 C SER A 48 0.753 -14.624 16.548 1.00 5.32 C ATOM 721 O SER A 48 1.002 -13.758 15.707 1.00 32.44 O ATOM 722 CB SER A 48 1.514 -16.957 16.062 1.00 2.02 C ATOM 723 OG SER A 48 0.866 -17.951 16.836 1.00 75.30 O ATOM 0 H SER A 48 1.430 -16.962 18.529 1.00 22.13 H new ATOM 0 HA SER A 48 2.772 -15.318 16.655 1.00 23.42 H new ATOM 0 HB2 SER A 48 0.898 -16.704 15.199 1.00 2.02 H new ATOM 0 HB3 SER A 48 2.456 -17.348 15.677 1.00 2.02 H new ATOM 0 HG SER A 48 0.706 -18.744 16.283 1.00 75.30 H new ATOM 729 N LEU A 49 -0.400 -14.684 17.204 1.00 72.31 N ATOM 730 CA LEU A 49 -1.466 -13.716 16.969 1.00 43.02 C ATOM 731 C LEU A 49 -0.968 -12.293 17.199 1.00 53.53 C ATOM 732 O LEU A 49 -1.082 -11.434 16.323 1.00 4.01 O ATOM 733 CB LEU A 49 -2.657 -14.006 17.884 1.00 64.31 C ATOM 734 CG LEU A 49 -4.034 -13.980 17.221 1.00 14.42 C ATOM 735 CD1 LEU A 49 -5.132 -13.948 18.273 1.00 31.23 C ATOM 736 CD2 LEU A 49 -4.154 -12.784 16.287 1.00 21.22 C ATOM 0 H LEU A 49 -0.621 -15.393 17.903 1.00 72.31 H new ATOM 0 HA LEU A 49 -1.784 -13.807 15.930 1.00 43.02 H new ATOM 0 HB2 LEU A 49 -2.512 -14.987 18.336 1.00 64.31 H new ATOM 0 HB3 LEU A 49 -2.652 -13.278 18.695 1.00 64.31 H new ATOM 0 HG LEU A 49 -4.149 -14.890 16.631 1.00 14.42 H new ATOM 0 HD11 LEU A 49 -6.105 -13.930 17.783 1.00 31.23 H new ATOM 0 HD12 LEU A 49 -5.059 -14.835 18.902 1.00 31.23 H new ATOM 0 HD13 LEU A 49 -5.020 -13.056 18.889 1.00 31.23 H new ATOM 0 HD21 LEU A 49 -5.141 -12.782 15.824 1.00 21.22 H new ATOM 0 HD22 LEU A 49 -4.018 -11.864 16.855 1.00 21.22 H new ATOM 0 HD23 LEU A 49 -3.390 -12.849 15.512 1.00 21.22 H new ATOM 748 N THR A 50 -0.414 -12.048 18.382 1.00 34.55 N ATOM 749 CA THR A 50 0.102 -10.730 18.728 1.00 53.04 C ATOM 750 C THR A 50 1.279 -10.350 17.837 1.00 53.34 C ATOM 751 O THR A 50 1.584 -9.170 17.665 1.00 44.34 O ATOM 752 CB THR A 50 0.547 -10.669 20.201 1.00 41.01 C ATOM 753 OG1 THR A 50 -0.391 -11.369 21.026 1.00 51.23 O ATOM 754 CG2 THR A 50 0.666 -9.227 20.671 1.00 65.11 C ATOM 0 H THR A 50 -0.311 -12.747 19.118 1.00 34.55 H new ATOM 0 HA THR A 50 -0.712 -10.021 18.573 1.00 53.04 H new ATOM 0 HB THR A 50 1.525 -11.143 20.282 1.00 41.01 H new ATOM 0 HG1 THR A 50 -0.269 -12.335 20.913 1.00 51.23 H new ATOM 0 HG21 THR A 50 0.982 -9.209 21.714 1.00 65.11 H new ATOM 0 HG22 THR A 50 1.402 -8.705 20.060 1.00 65.11 H new ATOM 0 HG23 THR A 50 -0.301 -8.732 20.576 1.00 65.11 H new ATOM 762 N VAL A 51 1.936 -11.357 17.271 1.00 44.11 N ATOM 763 CA VAL A 51 3.079 -11.128 16.395 1.00 4.32 C ATOM 764 C VAL A 51 2.634 -10.591 15.040 1.00 42.43 C ATOM 765 O VAL A 51 3.139 -9.572 14.567 1.00 11.34 O ATOM 766 CB VAL A 51 3.891 -12.419 16.182 1.00 70.31 C ATOM 767 CG1 VAL A 51 4.599 -12.389 14.836 1.00 30.20 C ATOM 768 CG2 VAL A 51 4.888 -12.614 17.314 1.00 62.50 C ATOM 0 H VAL A 51 1.696 -12.340 17.403 1.00 44.11 H new ATOM 0 HA VAL A 51 3.711 -10.388 16.886 1.00 4.32 H new ATOM 0 HB VAL A 51 3.203 -13.265 16.185 1.00 70.31 H new ATOM 0 HG11 VAL A 51 5.168 -13.309 14.703 1.00 30.20 H new ATOM 0 HG12 VAL A 51 3.861 -12.300 14.039 1.00 30.20 H new ATOM 0 HG13 VAL A 51 5.276 -11.536 14.800 1.00 30.20 H new ATOM 0 HG21 VAL A 51 5.453 -13.531 17.147 1.00 62.50 H new ATOM 0 HG22 VAL A 51 5.573 -11.767 17.346 1.00 62.50 H new ATOM 0 HG23 VAL A 51 4.354 -12.684 18.261 1.00 62.50 H new ATOM 778 N PHE A 52 1.685 -11.282 14.418 1.00 61.40 N ATOM 779 CA PHE A 52 1.171 -10.875 13.115 1.00 22.34 C ATOM 780 C PHE A 52 0.305 -9.625 13.239 1.00 32.40 C ATOM 781 O PHE A 52 0.198 -8.835 12.301 1.00 51.34 O ATOM 782 CB PHE A 52 0.362 -12.011 12.485 1.00 14.44 C ATOM 783 CG PHE A 52 -0.822 -11.534 11.693 1.00 61.54 C ATOM 784 CD1 PHE A 52 -0.653 -10.996 10.427 1.00 15.22 C ATOM 785 CD2 PHE A 52 -2.103 -11.625 12.213 1.00 61.21 C ATOM 786 CE1 PHE A 52 -1.740 -10.557 9.695 1.00 75.03 C ATOM 787 CE2 PHE A 52 -3.194 -11.189 11.485 1.00 4.40 C ATOM 788 CZ PHE A 52 -3.012 -10.653 10.225 1.00 51.31 C ATOM 0 H PHE A 52 1.256 -12.127 14.795 1.00 61.40 H new ATOM 0 HA PHE A 52 2.020 -10.644 12.472 1.00 22.34 H new ATOM 0 HB2 PHE A 52 1.014 -12.593 11.834 1.00 14.44 H new ATOM 0 HB3 PHE A 52 0.017 -12.681 13.272 1.00 14.44 H new ATOM 0 HD1 PHE A 52 0.339 -10.919 10.008 1.00 15.22 H new ATOM 0 HD2 PHE A 52 -2.251 -12.041 13.198 1.00 61.21 H new ATOM 0 HE1 PHE A 52 -1.595 -10.139 8.710 1.00 75.03 H new ATOM 0 HE2 PHE A 52 -4.188 -11.267 11.901 1.00 4.40 H new ATOM 0 HZ PHE A 52 -3.863 -10.310 9.655 1.00 51.31 H new ATOM 798 N LEU A 53 -0.313 -9.454 14.403 1.00 44.34 N ATOM 799 CA LEU A 53 -1.171 -8.300 14.651 1.00 61.44 C ATOM 800 C LEU A 53 -0.379 -7.001 14.548 1.00 54.41 C ATOM 801 O LEU A 53 -0.826 -6.037 13.924 1.00 64.04 O ATOM 802 CB LEU A 53 -1.818 -8.409 16.032 1.00 21.14 C ATOM 803 CG LEU A 53 -2.113 -7.087 16.741 1.00 15.30 C ATOM 804 CD1 LEU A 53 -3.057 -6.234 15.908 1.00 53.24 C ATOM 805 CD2 LEU A 53 -2.700 -7.341 18.122 1.00 74.12 C ATOM 0 H LEU A 53 -0.236 -10.099 15.189 1.00 44.34 H new ATOM 0 HA LEU A 53 -1.952 -8.288 13.891 1.00 61.44 H new ATOM 0 HB2 LEU A 53 -2.753 -8.960 15.931 1.00 21.14 H new ATOM 0 HB3 LEU A 53 -1.165 -9.003 16.671 1.00 21.14 H new ATOM 0 HG LEU A 53 -1.175 -6.544 16.861 1.00 15.30 H new ATOM 0 HD11 LEU A 53 -3.256 -5.297 16.428 1.00 53.24 H new ATOM 0 HD12 LEU A 53 -2.599 -6.022 14.942 1.00 53.24 H new ATOM 0 HD13 LEU A 53 -3.994 -6.770 15.756 1.00 53.24 H new ATOM 0 HD21 LEU A 53 -2.904 -6.389 18.612 1.00 74.12 H new ATOM 0 HD22 LEU A 53 -3.628 -7.905 18.025 1.00 74.12 H new ATOM 0 HD23 LEU A 53 -1.990 -7.912 18.720 1.00 74.12 H new ATOM 817 N LEU A 54 0.798 -6.981 15.163 1.00 62.05 N ATOM 818 CA LEU A 54 1.654 -5.800 15.139 1.00 41.03 C ATOM 819 C LEU A 54 2.146 -5.512 13.724 1.00 71.33 C ATOM 820 O LEU A 54 2.181 -4.360 13.289 1.00 21.23 O ATOM 821 CB LEU A 54 2.847 -5.992 16.076 1.00 4.34 C ATOM 822 CG LEU A 54 3.479 -4.713 16.629 1.00 70.40 C ATOM 823 CD1 LEU A 54 2.849 -4.340 17.962 1.00 42.11 C ATOM 824 CD2 LEU A 54 4.984 -4.883 16.777 1.00 70.01 C ATOM 0 H LEU A 54 1.182 -7.769 15.685 1.00 62.05 H new ATOM 0 HA LEU A 54 1.065 -4.948 15.479 1.00 41.03 H new ATOM 0 HB2 LEU A 54 2.528 -6.609 16.916 1.00 4.34 H new ATOM 0 HB3 LEU A 54 3.615 -6.552 15.543 1.00 4.34 H new ATOM 0 HG LEU A 54 3.293 -3.903 15.923 1.00 70.40 H new ATOM 0 HD11 LEU A 54 3.311 -3.428 18.340 1.00 42.11 H new ATOM 0 HD12 LEU A 54 1.780 -4.176 17.826 1.00 42.11 H new ATOM 0 HD13 LEU A 54 3.004 -5.148 18.677 1.00 42.11 H new ATOM 0 HD21 LEU A 54 5.417 -3.964 17.171 1.00 70.01 H new ATOM 0 HD22 LEU A 54 5.192 -5.705 17.462 1.00 70.01 H new ATOM 0 HD23 LEU A 54 5.423 -5.102 15.804 1.00 70.01 H new ATOM 836 N LEU A 55 2.523 -6.566 13.008 1.00 32.34 N ATOM 837 CA LEU A 55 3.010 -6.428 11.640 1.00 5.25 C ATOM 838 C LEU A 55 2.008 -5.666 10.780 1.00 41.15 C ATOM 839 O LEU A 55 2.388 -4.958 9.846 1.00 24.51 O ATOM 840 CB LEU A 55 3.279 -7.805 11.032 1.00 24.31 C ATOM 841 CG LEU A 55 4.435 -7.884 10.034 1.00 24.44 C ATOM 842 CD1 LEU A 55 5.014 -9.290 9.998 1.00 30.41 C ATOM 843 CD2 LEU A 55 3.973 -7.460 8.648 1.00 5.20 C ATOM 0 H LEU A 55 2.501 -7.526 13.352 1.00 32.34 H new ATOM 0 HA LEU A 55 3.941 -5.862 11.667 1.00 5.25 H new ATOM 0 HB2 LEU A 55 3.477 -8.506 11.843 1.00 24.31 H new ATOM 0 HB3 LEU A 55 2.371 -8.143 10.533 1.00 24.31 H new ATOM 0 HG LEU A 55 5.218 -7.199 10.359 1.00 24.44 H new ATOM 0 HD11 LEU A 55 5.835 -9.327 9.282 1.00 30.41 H new ATOM 0 HD12 LEU A 55 5.383 -9.557 10.988 1.00 30.41 H new ATOM 0 HD13 LEU A 55 4.239 -9.995 9.698 1.00 30.41 H new ATOM 0 HD21 LEU A 55 4.809 -7.522 7.951 1.00 5.20 H new ATOM 0 HD22 LEU A 55 3.172 -8.119 8.314 1.00 5.20 H new ATOM 0 HD23 LEU A 55 3.607 -6.434 8.685 1.00 5.20 H new ATOM 855 N ILE A 56 0.727 -5.814 11.101 1.00 44.22 N ATOM 856 CA ILE A 56 -0.329 -5.137 10.359 1.00 41.32 C ATOM 857 C ILE A 56 -0.532 -3.714 10.867 1.00 15.43 C ATOM 858 O ILE A 56 -1.030 -2.849 10.145 1.00 44.20 O ATOM 859 CB ILE A 56 -1.663 -5.900 10.455 1.00 20.14 C ATOM 860 CG1 ILE A 56 -1.514 -7.307 9.874 1.00 63.35 C ATOM 861 CG2 ILE A 56 -2.764 -5.137 9.734 1.00 45.31 C ATOM 862 CD1 ILE A 56 -1.049 -7.320 8.434 1.00 11.21 C ATOM 0 H ILE A 56 0.396 -6.397 11.870 1.00 44.22 H new ATOM 0 HA ILE A 56 -0.012 -5.106 9.317 1.00 41.32 H new ATOM 0 HB ILE A 56 -1.938 -5.989 11.506 1.00 20.14 H new ATOM 0 HG12 ILE A 56 -0.805 -7.869 10.482 1.00 63.35 H new ATOM 0 HG13 ILE A 56 -2.472 -7.823 9.943 1.00 63.35 H new ATOM 0 HG21 ILE A 56 -3.700 -5.690 9.811 1.00 45.31 H new ATOM 0 HG22 ILE A 56 -2.884 -4.154 10.190 1.00 45.31 H new ATOM 0 HG23 ILE A 56 -2.498 -5.020 8.684 1.00 45.31 H new ATOM 0 HD11 ILE A 56 -0.966 -8.350 8.088 1.00 11.21 H new ATOM 0 HD12 ILE A 56 -1.769 -6.786 7.814 1.00 11.21 H new ATOM 0 HD13 ILE A 56 -0.077 -6.833 8.361 1.00 11.21 H new ATOM 874 N THR A 57 -0.143 -3.476 12.116 1.00 13.31 N ATOM 875 CA THR A 57 -0.282 -2.158 12.722 1.00 11.50 C ATOM 876 C THR A 57 0.896 -1.260 12.361 1.00 13.40 C ATOM 877 O THR A 57 0.817 -0.038 12.486 1.00 20.10 O ATOM 878 CB THR A 57 -0.389 -2.253 14.256 1.00 53.43 C ATOM 879 OG1 THR A 57 0.847 -2.722 14.805 1.00 72.40 O ATOM 880 CG2 THR A 57 -1.519 -3.187 14.662 1.00 24.43 C ATOM 0 H THR A 57 0.271 -4.180 12.728 1.00 13.31 H new ATOM 0 HA THR A 57 -1.201 -1.724 12.327 1.00 11.50 H new ATOM 0 HB THR A 57 -0.604 -1.258 14.646 1.00 53.43 H new ATOM 0 HG1 THR A 57 1.393 -3.115 14.092 1.00 72.40 H new ATOM 0 HG21 THR A 57 -1.576 -3.238 15.749 1.00 24.43 H new ATOM 0 HG22 THR A 57 -2.462 -2.810 14.267 1.00 24.43 H new ATOM 0 HG23 THR A 57 -1.330 -4.183 14.261 1.00 24.43 H new ATOM 888 N GLU A 58 1.986 -1.873 11.912 1.00 22.43 N ATOM 889 CA GLU A 58 3.180 -1.128 11.533 1.00 4.53 C ATOM 890 C GLU A 58 3.125 -0.723 10.063 1.00 65.11 C ATOM 891 O GLU A 58 3.559 0.368 9.692 1.00 51.20 O ATOM 892 CB GLU A 58 4.435 -1.962 11.797 1.00 23.34 C ATOM 893 CG GLU A 58 4.412 -3.325 11.126 1.00 63.12 C ATOM 894 CD GLU A 58 5.701 -4.098 11.331 1.00 74.14 C ATOM 895 OE1 GLU A 58 6.293 -3.987 12.424 1.00 35.04 O ATOM 896 OE2 GLU A 58 6.117 -4.815 10.396 1.00 14.20 O ATOM 0 H GLU A 58 2.067 -2.884 11.802 1.00 22.43 H new ATOM 0 HA GLU A 58 3.220 -0.224 12.140 1.00 4.53 H new ATOM 0 HB2 GLU A 58 5.308 -1.410 11.449 1.00 23.34 H new ATOM 0 HB3 GLU A 58 4.551 -2.098 12.872 1.00 23.34 H new ATOM 0 HG2 GLU A 58 3.578 -3.906 11.520 1.00 63.12 H new ATOM 0 HG3 GLU A 58 4.235 -3.197 10.058 1.00 63.12 H new ATOM 903 N ILE A 59 2.590 -1.610 9.231 1.00 65.30 N ATOM 904 CA ILE A 59 2.478 -1.346 7.802 1.00 65.21 C ATOM 905 C ILE A 59 1.246 -0.502 7.494 1.00 62.52 C ATOM 906 O ILE A 59 1.202 0.205 6.487 1.00 72.34 O ATOM 907 CB ILE A 59 2.407 -2.654 6.992 1.00 42.15 C ATOM 908 CG1 ILE A 59 1.150 -3.443 7.364 1.00 2.44 C ATOM 909 CG2 ILE A 59 3.655 -3.492 7.228 1.00 74.11 C ATOM 910 CD1 ILE A 59 1.220 -4.905 6.986 1.00 24.50 C ATOM 0 H ILE A 59 2.227 -2.518 9.522 1.00 65.30 H new ATOM 0 HA ILE A 59 3.373 -0.797 7.511 1.00 65.21 H new ATOM 0 HB ILE A 59 2.356 -2.405 5.932 1.00 42.15 H new ATOM 0 HG12 ILE A 59 0.985 -3.361 8.438 1.00 2.44 H new ATOM 0 HG13 ILE A 59 0.288 -2.990 6.873 1.00 2.44 H new ATOM 0 HG21 ILE A 59 3.590 -4.413 6.649 1.00 74.11 H new ATOM 0 HG22 ILE A 59 4.535 -2.929 6.917 1.00 74.11 H new ATOM 0 HG23 ILE A 59 3.735 -3.735 8.288 1.00 74.11 H new ATOM 0 HD11 ILE A 59 0.295 -5.401 7.280 1.00 24.50 H new ATOM 0 HD12 ILE A 59 1.354 -4.996 5.908 1.00 24.50 H new ATOM 0 HD13 ILE A 59 2.061 -5.373 7.497 1.00 24.50 H new ATOM 922 N ILE A 60 0.249 -0.581 8.368 1.00 13.20 N ATOM 923 CA ILE A 60 -0.983 0.178 8.191 1.00 51.12 C ATOM 924 C ILE A 60 -1.568 -0.041 6.800 1.00 51.54 C ATOM 925 O ILE A 60 -1.458 0.806 5.913 1.00 53.43 O ATOM 926 CB ILE A 60 -0.752 1.685 8.407 1.00 1.31 C ATOM 927 CG1 ILE A 60 0.016 1.924 9.709 1.00 62.03 C ATOM 928 CG2 ILE A 60 -2.080 2.428 8.426 1.00 62.44 C ATOM 929 CD1 ILE A 60 1.413 2.463 9.496 1.00 43.33 C ATOM 0 H ILE A 60 0.270 -1.163 9.206 1.00 13.20 H new ATOM 0 HA ILE A 60 -1.687 -0.184 8.940 1.00 51.12 H new ATOM 0 HB ILE A 60 -0.155 2.068 7.579 1.00 1.31 H new ATOM 0 HG12 ILE A 60 -0.544 2.624 10.329 1.00 62.03 H new ATOM 0 HG13 ILE A 60 0.077 0.987 10.263 1.00 62.03 H new ATOM 0 HG21 ILE A 60 -1.900 3.492 8.580 1.00 62.44 H new ATOM 0 HG22 ILE A 60 -2.593 2.280 7.476 1.00 62.44 H new ATOM 0 HG23 ILE A 60 -2.700 2.045 9.236 1.00 62.44 H new ATOM 0 HD11 ILE A 60 1.898 2.608 10.461 1.00 43.33 H new ATOM 0 HD12 ILE A 60 1.990 1.754 8.903 1.00 43.33 H new ATOM 0 HD13 ILE A 60 1.359 3.416 8.970 1.00 43.33 H new ATOM 941 N PRO A 61 -2.207 -1.203 6.603 1.00 71.25 N ATOM 942 CA PRO A 61 -2.825 -1.560 5.322 1.00 42.22 C ATOM 943 C PRO A 61 -4.059 -0.717 5.019 1.00 32.50 C ATOM 944 O PRO A 61 -4.606 -0.773 3.917 1.00 24.34 O ATOM 945 CB PRO A 61 -3.213 -3.028 5.512 1.00 61.31 C ATOM 946 CG PRO A 61 -3.375 -3.190 6.984 1.00 42.20 C ATOM 947 CD PRO A 61 -2.376 -2.259 7.615 1.00 74.01 C ATOM 0 HA PRO A 61 -2.151 -1.389 4.483 1.00 42.22 H new ATOM 0 HB2 PRO A 61 -4.137 -3.265 4.984 1.00 61.31 H new ATOM 0 HB3 PRO A 61 -2.443 -3.694 5.123 1.00 61.31 H new ATOM 0 HG2 PRO A 61 -4.390 -2.942 7.295 1.00 42.20 H new ATOM 0 HG3 PRO A 61 -3.192 -4.221 7.286 1.00 42.20 H new ATOM 0 HD2 PRO A 61 -2.743 -1.856 8.559 1.00 74.01 H new ATOM 0 HD3 PRO A 61 -1.435 -2.765 7.829 1.00 74.01 H new ATOM 1043 N SER A 69 -10.574 -2.566 5.913 1.00 35.42 N ATOM 1044 CA SER A 69 -9.526 -2.376 6.909 1.00 53.31 C ATOM 1045 C SER A 69 -9.661 -3.390 8.041 1.00 55.50 C ATOM 1046 O SER A 69 -10.671 -3.418 8.746 1.00 43.11 O ATOM 1047 CB SER A 69 -9.581 -0.954 7.473 1.00 75.54 C ATOM 1048 OG SER A 69 -9.923 -0.019 6.465 1.00 51.15 O ATOM 0 HA SER A 69 -8.563 -2.529 6.421 1.00 53.31 H new ATOM 0 HB2 SER A 69 -10.312 -0.907 8.280 1.00 75.54 H new ATOM 0 HB3 SER A 69 -8.614 -0.692 7.903 1.00 75.54 H new ATOM 0 HG SER A 69 -10.351 -0.486 5.717 1.00 51.15 H new ATOM 1054 N ILE A 70 -8.638 -4.220 8.208 1.00 2.24 N ATOM 1055 CA ILE A 70 -8.641 -5.235 9.255 1.00 51.43 C ATOM 1056 C ILE A 70 -8.321 -4.623 10.615 1.00 62.15 C ATOM 1057 O ILE A 70 -8.528 -5.250 11.653 1.00 41.51 O ATOM 1058 CB ILE A 70 -7.627 -6.354 8.956 1.00 23.32 C ATOM 1059 CG1 ILE A 70 -7.993 -7.624 9.728 1.00 13.51 C ATOM 1060 CG2 ILE A 70 -6.218 -5.901 9.310 1.00 71.12 C ATOM 1061 CD1 ILE A 70 -7.101 -8.803 9.411 1.00 41.15 C ATOM 0 H ILE A 70 -7.796 -4.210 7.632 1.00 2.24 H new ATOM 0 HA ILE A 70 -9.644 -5.662 9.279 1.00 51.43 H new ATOM 0 HB ILE A 70 -7.659 -6.577 7.890 1.00 23.32 H new ATOM 0 HG12 ILE A 70 -7.941 -7.417 10.797 1.00 13.51 H new ATOM 0 HG13 ILE A 70 -9.026 -7.890 9.504 1.00 13.51 H new ATOM 0 HG21 ILE A 70 -5.513 -6.703 9.093 1.00 71.12 H new ATOM 0 HG22 ILE A 70 -5.960 -5.021 8.721 1.00 71.12 H new ATOM 0 HG23 ILE A 70 -6.171 -5.654 10.371 1.00 71.12 H new ATOM 0 HD11 ILE A 70 -7.419 -9.667 9.994 1.00 41.15 H new ATOM 0 HD12 ILE A 70 -7.171 -9.037 8.349 1.00 41.15 H new ATOM 0 HD13 ILE A 70 -6.069 -8.556 9.661 1.00 41.15 H new ATOM 1073 N GLY A 71 -7.815 -3.393 10.600 1.00 34.33 N ATOM 1074 CA GLY A 71 -7.476 -2.716 11.838 1.00 33.33 C ATOM 1075 C GLY A 71 -8.624 -2.710 12.829 1.00 43.03 C ATOM 1076 O GLY A 71 -8.406 -2.689 14.040 1.00 50.14 O ATOM 0 H GLY A 71 -7.634 -2.854 9.753 1.00 34.33 H new ATOM 0 HA2 GLY A 71 -6.612 -3.203 12.290 1.00 33.33 H new ATOM 0 HA3 GLY A 71 -7.184 -1.689 11.619 1.00 33.33 H new ATOM 1080 N GLU A 72 -9.849 -2.727 12.313 1.00 41.41 N ATOM 1081 CA GLU A 72 -11.034 -2.720 13.162 1.00 55.02 C ATOM 1082 C GLU A 72 -11.380 -4.132 13.625 1.00 60.41 C ATOM 1083 O GLU A 72 -11.962 -4.322 14.693 1.00 31.11 O ATOM 1084 CB GLU A 72 -12.222 -2.112 12.412 1.00 31.44 C ATOM 1085 CG GLU A 72 -11.953 -0.717 11.875 1.00 52.20 C ATOM 1086 CD GLU A 72 -13.154 -0.124 11.163 1.00 21.42 C ATOM 1087 OE1 GLU A 72 -14.170 -0.836 11.019 1.00 65.23 O ATOM 1088 OE2 GLU A 72 -13.077 1.052 10.751 1.00 54.11 O ATOM 0 H GLU A 72 -10.046 -2.746 11.312 1.00 41.41 H new ATOM 0 HA GLU A 72 -10.817 -2.111 14.040 1.00 55.02 H new ATOM 0 HB2 GLU A 72 -12.490 -2.766 11.582 1.00 31.44 H new ATOM 0 HB3 GLU A 72 -13.082 -2.075 13.080 1.00 31.44 H new ATOM 0 HG2 GLU A 72 -11.665 -0.064 12.699 1.00 52.20 H new ATOM 0 HG3 GLU A 72 -11.109 -0.753 11.187 1.00 52.20 H new ATOM 1095 N TYR A 73 -11.018 -5.120 12.813 1.00 4.45 N ATOM 1096 CA TYR A 73 -11.291 -6.515 13.137 1.00 15.34 C ATOM 1097 C TYR A 73 -10.284 -7.046 14.152 1.00 22.31 C ATOM 1098 O TYR A 73 -10.659 -7.613 15.179 1.00 31.13 O ATOM 1099 CB TYR A 73 -11.256 -7.371 11.870 1.00 11.32 C ATOM 1100 CG TYR A 73 -11.143 -8.853 12.144 1.00 34.41 C ATOM 1101 CD1 TYR A 73 -12.264 -9.607 12.472 1.00 2.42 C ATOM 1102 CD2 TYR A 73 -9.916 -9.501 12.074 1.00 71.32 C ATOM 1103 CE1 TYR A 73 -12.165 -10.961 12.724 1.00 71.31 C ATOM 1104 CE2 TYR A 73 -9.808 -10.856 12.322 1.00 13.05 C ATOM 1105 CZ TYR A 73 -10.935 -11.581 12.648 1.00 74.44 C ATOM 1106 OH TYR A 73 -10.833 -12.931 12.896 1.00 12.03 O ATOM 0 H TYR A 73 -10.535 -4.980 11.926 1.00 4.45 H new ATOM 0 HA TYR A 73 -12.286 -6.571 13.577 1.00 15.34 H new ATOM 0 HB2 TYR A 73 -12.160 -7.185 11.291 1.00 11.32 H new ATOM 0 HB3 TYR A 73 -10.413 -7.059 11.254 1.00 11.32 H new ATOM 0 HD1 TYR A 73 -13.229 -9.125 12.531 1.00 2.42 H new ATOM 0 HD2 TYR A 73 -9.031 -8.936 11.821 1.00 71.32 H new ATOM 0 HE1 TYR A 73 -13.046 -11.532 12.979 1.00 71.31 H new ATOM 0 HE2 TYR A 73 -8.847 -11.344 12.261 1.00 13.05 H new ATOM 0 HH TYR A 73 -9.899 -13.212 12.800 1.00 12.03 H new ATOM 1116 N LEU A 74 -9.002 -6.859 13.857 1.00 13.21 N ATOM 1117 CA LEU A 74 -7.938 -7.318 14.743 1.00 71.11 C ATOM 1118 C LEU A 74 -8.084 -6.707 16.133 1.00 54.44 C ATOM 1119 O LEU A 74 -7.622 -7.273 17.124 1.00 74.42 O ATOM 1120 CB LEU A 74 -6.571 -6.961 14.157 1.00 23.15 C ATOM 1121 CG LEU A 74 -5.780 -8.118 13.545 1.00 52.45 C ATOM 1122 CD1 LEU A 74 -4.709 -7.592 12.602 1.00 5.44 C ATOM 1123 CD2 LEU A 74 -5.158 -8.976 14.636 1.00 35.32 C ATOM 0 H LEU A 74 -8.674 -6.393 13.011 1.00 13.21 H new ATOM 0 HA LEU A 74 -8.016 -8.401 14.834 1.00 71.11 H new ATOM 0 HB2 LEU A 74 -6.714 -6.200 13.390 1.00 23.15 H new ATOM 0 HB3 LEU A 74 -5.967 -6.511 14.945 1.00 23.15 H new ATOM 0 HG LEU A 74 -6.468 -8.739 12.971 1.00 52.45 H new ATOM 0 HD11 LEU A 74 -4.156 -8.429 12.176 1.00 5.44 H new ATOM 0 HD12 LEU A 74 -5.178 -7.022 11.800 1.00 5.44 H new ATOM 0 HD13 LEU A 74 -4.024 -6.948 13.153 1.00 5.44 H new ATOM 0 HD21 LEU A 74 -4.599 -9.794 14.181 1.00 35.32 H new ATOM 0 HD22 LEU A 74 -4.484 -8.367 15.238 1.00 35.32 H new ATOM 0 HD23 LEU A 74 -5.944 -9.383 15.272 1.00 35.32 H new ATOM 1135 N LEU A 75 -8.731 -5.548 16.198 1.00 35.33 N ATOM 1136 CA LEU A 75 -8.941 -4.860 17.467 1.00 34.13 C ATOM 1137 C LEU A 75 -10.156 -5.423 18.198 1.00 71.52 C ATOM 1138 O LEU A 75 -10.051 -5.887 19.334 1.00 62.15 O ATOM 1139 CB LEU A 75 -9.124 -3.360 17.232 1.00 0.33 C ATOM 1140 CG LEU A 75 -7.991 -2.460 17.726 1.00 25.14 C ATOM 1141 CD1 LEU A 75 -7.948 -2.442 19.246 1.00 4.25 C ATOM 1142 CD2 LEU A 75 -6.656 -2.923 17.159 1.00 55.31 C ATOM 0 H LEU A 75 -9.119 -5.066 15.387 1.00 35.33 H new ATOM 0 HA LEU A 75 -8.060 -5.020 18.088 1.00 34.13 H new ATOM 0 HB2 LEU A 75 -9.254 -3.193 16.163 1.00 0.33 H new ATOM 0 HB3 LEU A 75 -10.048 -3.047 17.718 1.00 0.33 H new ATOM 0 HG LEU A 75 -8.180 -1.445 17.376 1.00 25.14 H new ATOM 0 HD11 LEU A 75 -7.136 -1.796 19.579 1.00 4.25 H new ATOM 0 HD12 LEU A 75 -8.894 -2.063 19.632 1.00 4.25 H new ATOM 0 HD13 LEU A 75 -7.783 -3.453 19.617 1.00 4.25 H new ATOM 0 HD21 LEU A 75 -5.861 -2.271 17.521 1.00 55.31 H new ATOM 0 HD22 LEU A 75 -6.460 -3.946 17.479 1.00 55.31 H new ATOM 0 HD23 LEU A 75 -6.690 -2.884 16.070 1.00 55.31 H new ATOM 1154 N PHE A 76 -11.309 -5.382 17.538 1.00 42.02 N ATOM 1155 CA PHE A 76 -12.544 -5.889 18.124 1.00 60.42 C ATOM 1156 C PHE A 76 -12.398 -7.357 18.514 1.00 71.43 C ATOM 1157 O PHE A 76 -12.796 -7.765 19.606 1.00 43.13 O ATOM 1158 CB PHE A 76 -13.705 -5.724 17.141 1.00 12.12 C ATOM 1159 CG PHE A 76 -14.647 -4.612 17.507 1.00 25.34 C ATOM 1160 CD1 PHE A 76 -14.160 -3.373 17.893 1.00 72.44 C ATOM 1161 CD2 PHE A 76 -16.018 -4.807 17.467 1.00 41.50 C ATOM 1162 CE1 PHE A 76 -15.024 -2.348 18.230 1.00 62.21 C ATOM 1163 CE2 PHE A 76 -16.886 -3.785 17.803 1.00 52.03 C ATOM 1164 CZ PHE A 76 -16.389 -2.555 18.186 1.00 44.22 C ATOM 0 H PHE A 76 -11.414 -5.003 16.597 1.00 42.02 H new ATOM 0 HA PHE A 76 -12.754 -5.311 19.024 1.00 60.42 H new ATOM 0 HB2 PHE A 76 -13.304 -5.536 16.145 1.00 12.12 H new ATOM 0 HB3 PHE A 76 -14.262 -6.659 17.089 1.00 12.12 H new ATOM 0 HD1 PHE A 76 -13.094 -3.207 17.931 1.00 72.44 H new ATOM 0 HD2 PHE A 76 -16.413 -5.767 17.170 1.00 41.50 H new ATOM 0 HE1 PHE A 76 -14.632 -1.386 18.527 1.00 62.21 H new ATOM 0 HE2 PHE A 76 -17.953 -3.949 17.766 1.00 52.03 H new ATOM 0 HZ PHE A 76 -17.066 -1.756 18.451 1.00 44.22 H new ATOM 1174 N THR A 77 -11.825 -8.149 17.612 1.00 11.11 N ATOM 1175 CA THR A 77 -11.628 -9.572 17.859 1.00 3.54 C ATOM 1176 C THR A 77 -10.712 -9.800 19.057 1.00 51.44 C ATOM 1177 O THR A 77 -11.019 -10.598 19.942 1.00 53.35 O ATOM 1178 CB THR A 77 -11.030 -10.278 16.628 1.00 23.12 C ATOM 1179 OG1 THR A 77 -11.964 -10.246 15.543 1.00 21.44 O ATOM 1180 CG2 THR A 77 -10.671 -11.720 16.953 1.00 22.21 C ATOM 0 H THR A 77 -11.489 -7.828 16.704 1.00 11.11 H new ATOM 0 HA THR A 77 -12.610 -9.996 18.070 1.00 3.54 H new ATOM 0 HB THR A 77 -10.121 -9.750 16.339 1.00 23.12 H new ATOM 0 HG1 THR A 77 -11.554 -10.644 14.747 1.00 21.44 H new ATOM 0 HG21 THR A 77 -10.250 -12.198 16.069 1.00 22.21 H new ATOM 0 HG22 THR A 77 -9.938 -11.740 17.759 1.00 22.21 H new ATOM 0 HG23 THR A 77 -11.567 -12.257 17.264 1.00 22.21 H new ATOM 1188 N MET A 78 -9.587 -9.093 19.078 1.00 64.10 N ATOM 1189 CA MET A 78 -8.627 -9.218 20.169 1.00 60.10 C ATOM 1190 C MET A 78 -9.290 -8.930 21.512 1.00 34.51 C ATOM 1191 O MET A 78 -9.012 -9.599 22.508 1.00 61.11 O ATOM 1192 CB MET A 78 -7.450 -8.264 19.953 1.00 34.24 C ATOM 1193 CG MET A 78 -6.304 -8.881 19.169 1.00 60.04 C ATOM 1194 SD MET A 78 -5.301 -9.998 20.167 1.00 61.43 S ATOM 1195 CE MET A 78 -4.069 -10.508 18.970 1.00 10.43 C ATOM 0 H MET A 78 -9.318 -8.428 18.353 1.00 64.10 H new ATOM 0 HA MET A 78 -8.257 -10.243 20.179 1.00 60.10 H new ATOM 0 HB2 MET A 78 -7.803 -7.377 19.427 1.00 34.24 H new ATOM 0 HB3 MET A 78 -7.079 -7.932 20.923 1.00 34.24 H new ATOM 0 HG2 MET A 78 -6.705 -9.425 18.314 1.00 60.04 H new ATOM 0 HG3 MET A 78 -5.671 -8.087 18.773 1.00 60.04 H new ATOM 0 HE1 MET A 78 -3.822 -11.558 19.127 1.00 10.43 H new ATOM 0 HE2 MET A 78 -4.463 -10.374 17.963 1.00 10.43 H new ATOM 0 HE3 MET A 78 -3.171 -9.902 19.092 1.00 10.43 H new ATOM 1205 N ILE A 79 -10.168 -7.933 21.532 1.00 4.30 N ATOM 1206 CA ILE A 79 -10.870 -7.558 22.753 1.00 74.40 C ATOM 1207 C ILE A 79 -11.975 -8.557 23.080 1.00 71.53 C ATOM 1208 O ILE A 79 -12.279 -8.804 24.247 1.00 1.42 O ATOM 1209 CB ILE A 79 -11.484 -6.150 22.640 1.00 30.31 C ATOM 1210 CG1 ILE A 79 -10.387 -5.086 22.704 1.00 51.42 C ATOM 1211 CG2 ILE A 79 -12.509 -5.929 23.743 1.00 61.44 C ATOM 1212 CD1 ILE A 79 -10.708 -3.839 21.909 1.00 61.20 C ATOM 0 H ILE A 79 -10.410 -7.370 20.716 1.00 4.30 H new ATOM 0 HA ILE A 79 -10.132 -7.560 23.555 1.00 74.40 H new ATOM 0 HB ILE A 79 -11.990 -6.066 21.678 1.00 30.31 H new ATOM 0 HG12 ILE A 79 -10.220 -4.810 23.745 1.00 51.42 H new ATOM 0 HG13 ILE A 79 -9.455 -5.514 22.334 1.00 51.42 H new ATOM 0 HG21 ILE A 79 -12.934 -4.930 23.650 1.00 61.44 H new ATOM 0 HG22 ILE A 79 -13.303 -6.671 23.656 1.00 61.44 H new ATOM 0 HG23 ILE A 79 -12.025 -6.028 24.715 1.00 61.44 H new ATOM 0 HD11 ILE A 79 -9.887 -3.128 22.000 1.00 61.20 H new ATOM 0 HD12 ILE A 79 -10.846 -4.102 20.860 1.00 61.20 H new ATOM 0 HD13 ILE A 79 -11.623 -3.388 22.294 1.00 61.20 H new ATOM 1224 N PHE A 80 -12.572 -9.132 22.041 1.00 61.13 N ATOM 1225 CA PHE A 80 -13.643 -10.106 22.217 1.00 40.13 C ATOM 1226 C PHE A 80 -13.094 -11.430 22.739 1.00 25.14 C ATOM 1227 O PHE A 80 -13.476 -11.893 23.814 1.00 73.21 O ATOM 1228 CB PHE A 80 -14.378 -10.332 20.894 1.00 63.32 C ATOM 1229 CG PHE A 80 -15.782 -10.835 21.067 1.00 74.33 C ATOM 1230 CD1 PHE A 80 -16.039 -12.194 21.159 1.00 14.45 C ATOM 1231 CD2 PHE A 80 -16.846 -9.950 21.136 1.00 42.20 C ATOM 1232 CE1 PHE A 80 -17.331 -12.660 21.319 1.00 1.10 C ATOM 1233 CE2 PHE A 80 -18.139 -10.410 21.296 1.00 71.12 C ATOM 1234 CZ PHE A 80 -18.382 -11.767 21.386 1.00 11.22 C ATOM 0 H PHE A 80 -12.332 -8.940 21.068 1.00 61.13 H new ATOM 0 HA PHE A 80 -14.344 -9.709 22.951 1.00 40.13 H new ATOM 0 HB2 PHE A 80 -14.402 -9.396 20.336 1.00 63.32 H new ATOM 0 HB3 PHE A 80 -13.816 -11.047 20.293 1.00 63.32 H new ATOM 0 HD1 PHE A 80 -15.221 -12.897 21.105 1.00 14.45 H new ATOM 0 HD2 PHE A 80 -16.662 -8.888 21.064 1.00 42.20 H new ATOM 0 HE1 PHE A 80 -17.518 -13.721 21.391 1.00 1.10 H new ATOM 0 HE2 PHE A 80 -18.959 -9.709 21.351 1.00 71.12 H new ATOM 0 HZ PHE A 80 -19.392 -12.129 21.509 1.00 11.22 H new ATOM 1244 N VAL A 81 -12.194 -12.035 21.971 1.00 63.24 N ATOM 1245 CA VAL A 81 -11.590 -13.306 22.355 1.00 55.22 C ATOM 1246 C VAL A 81 -10.951 -13.215 23.736 1.00 35.30 C ATOM 1247 O VAL A 81 -10.917 -14.194 24.482 1.00 31.34 O ATOM 1248 CB VAL A 81 -10.525 -13.752 21.336 1.00 4.13 C ATOM 1249 CG1 VAL A 81 -11.150 -13.958 19.965 1.00 25.30 C ATOM 1250 CG2 VAL A 81 -9.395 -12.736 21.269 1.00 45.21 C ATOM 0 H VAL A 81 -11.867 -11.666 21.078 1.00 63.24 H new ATOM 0 HA VAL A 81 -12.392 -14.044 22.377 1.00 55.22 H new ATOM 0 HB VAL A 81 -10.108 -14.704 21.665 1.00 4.13 H new ATOM 0 HG11 VAL A 81 -10.382 -14.273 19.259 1.00 25.30 H new ATOM 0 HG12 VAL A 81 -11.921 -14.726 20.028 1.00 25.30 H new ATOM 0 HG13 VAL A 81 -11.595 -13.023 19.624 1.00 25.30 H new ATOM 0 HG21 VAL A 81 -8.651 -13.067 20.544 1.00 45.21 H new ATOM 0 HG22 VAL A 81 -9.793 -11.768 20.964 1.00 45.21 H new ATOM 0 HG23 VAL A 81 -8.930 -12.644 22.250 1.00 45.21 H new ATOM 1260 N THR A 82 -10.446 -12.033 24.072 1.00 44.42 N ATOM 1261 CA THR A 82 -9.807 -11.813 25.363 1.00 22.33 C ATOM 1262 C THR A 82 -10.790 -12.034 26.507 1.00 2.23 C ATOM 1263 O THR A 82 -10.551 -12.854 27.395 1.00 12.42 O ATOM 1264 CB THR A 82 -9.225 -10.391 25.468 1.00 14.21 C ATOM 1265 OG1 THR A 82 -7.945 -10.337 24.829 1.00 0.52 O ATOM 1266 CG2 THR A 82 -9.090 -9.967 26.923 1.00 72.30 C ATOM 0 H THR A 82 -10.467 -11.212 23.467 1.00 44.42 H new ATOM 0 HA THR A 82 -8.995 -12.536 25.441 1.00 22.33 H new ATOM 0 HB THR A 82 -9.909 -9.705 24.969 1.00 14.21 H new ATOM 0 HG1 THR A 82 -8.034 -9.906 23.953 1.00 0.52 H new ATOM 0 HG21 THR A 82 -8.677 -8.959 26.972 1.00 72.30 H new ATOM 0 HG22 THR A 82 -10.071 -9.980 27.398 1.00 72.30 H new ATOM 0 HG23 THR A 82 -8.425 -10.657 27.443 1.00 72.30 H new ATOM 1274 N LEU A 83 -11.896 -11.299 26.481 1.00 42.53 N ATOM 1275 CA LEU A 83 -12.917 -11.414 27.516 1.00 22.52 C ATOM 1276 C LEU A 83 -13.608 -12.773 27.450 1.00 4.22 C ATOM 1277 O LEU A 83 -14.141 -13.258 28.448 1.00 62.33 O ATOM 1278 CB LEU A 83 -13.950 -10.296 27.369 1.00 71.33 C ATOM 1279 CG LEU A 83 -15.074 -10.549 26.363 1.00 62.20 C ATOM 1280 CD1 LEU A 83 -16.309 -11.088 27.067 1.00 14.23 C ATOM 1281 CD2 LEU A 83 -15.405 -9.274 25.602 1.00 60.05 C ATOM 0 H LEU A 83 -12.109 -10.616 25.754 1.00 42.53 H new ATOM 0 HA LEU A 83 -12.428 -11.322 28.486 1.00 22.52 H new ATOM 0 HB2 LEU A 83 -14.398 -10.112 28.345 1.00 71.33 H new ATOM 0 HB3 LEU A 83 -13.429 -9.383 27.080 1.00 71.33 H new ATOM 0 HG LEU A 83 -14.734 -11.297 25.647 1.00 62.20 H new ATOM 0 HD11 LEU A 83 -17.098 -11.262 26.335 1.00 14.23 H new ATOM 0 HD12 LEU A 83 -16.063 -12.026 27.566 1.00 14.23 H new ATOM 0 HD13 LEU A 83 -16.652 -10.363 27.805 1.00 14.23 H new ATOM 0 HD21 LEU A 83 -16.207 -9.473 24.891 1.00 60.05 H new ATOM 0 HD22 LEU A 83 -15.725 -8.504 26.304 1.00 60.05 H new ATOM 0 HD23 LEU A 83 -14.521 -8.931 25.065 1.00 60.05 H new ATOM 1293 N SER A 84 -13.592 -13.382 26.269 1.00 70.11 N ATOM 1294 CA SER A 84 -14.218 -14.684 26.072 1.00 33.11 C ATOM 1295 C SER A 84 -13.450 -15.774 26.814 1.00 15.00 C ATOM 1296 O SER A 84 -14.014 -16.806 27.180 1.00 50.03 O ATOM 1297 CB SER A 84 -14.289 -15.019 24.581 1.00 33.41 C ATOM 1298 OG SER A 84 -13.257 -15.917 24.211 1.00 74.15 O ATOM 0 H SER A 84 -13.152 -12.995 25.434 1.00 70.11 H new ATOM 0 HA SER A 84 -15.230 -14.638 26.475 1.00 33.11 H new ATOM 0 HB2 SER A 84 -15.259 -15.459 24.350 1.00 33.41 H new ATOM 0 HB3 SER A 84 -14.207 -14.104 23.995 1.00 33.41 H new ATOM 0 HG SER A 84 -12.392 -15.458 24.257 1.00 74.15 H new ATOM 1304 N ILE A 85 -12.162 -15.537 27.032 1.00 5.54 N ATOM 1305 CA ILE A 85 -11.316 -16.497 27.731 1.00 11.51 C ATOM 1306 C ILE A 85 -11.506 -16.400 29.241 1.00 12.40 C ATOM 1307 O ILE A 85 -11.796 -17.394 29.906 1.00 30.03 O ATOM 1308 CB ILE A 85 -9.828 -16.283 27.398 1.00 63.34 C ATOM 1309 CG1 ILE A 85 -9.581 -16.504 25.904 1.00 44.11 C ATOM 1310 CG2 ILE A 85 -8.960 -17.218 28.227 1.00 1.33 C ATOM 1311 CD1 ILE A 85 -8.515 -15.598 25.328 1.00 63.44 C ATOM 0 H ILE A 85 -11.680 -14.688 26.735 1.00 5.54 H new ATOM 0 HA ILE A 85 -11.617 -17.488 27.392 1.00 11.51 H new ATOM 0 HB ILE A 85 -9.560 -15.256 27.644 1.00 63.34 H new ATOM 0 HG12 ILE A 85 -9.291 -17.542 25.741 1.00 44.11 H new ATOM 0 HG13 ILE A 85 -10.513 -16.345 25.362 1.00 44.11 H new ATOM 0 HG21 ILE A 85 -7.911 -17.055 27.980 1.00 1.33 H new ATOM 0 HG22 ILE A 85 -9.119 -17.018 29.287 1.00 1.33 H new ATOM 0 HG23 ILE A 85 -9.227 -18.252 28.009 1.00 1.33 H new ATOM 0 HD11 ILE A 85 -8.393 -15.810 24.266 1.00 63.44 H new ATOM 0 HD12 ILE A 85 -8.812 -14.558 25.459 1.00 63.44 H new ATOM 0 HD13 ILE A 85 -7.571 -15.773 25.844 1.00 63.44 H new ATOM 1323 N VAL A 86 -11.343 -15.194 29.776 1.00 4.14 N ATOM 1324 CA VAL A 86 -11.499 -14.965 31.208 1.00 70.41 C ATOM 1325 C VAL A 86 -12.883 -15.391 31.684 1.00 33.13 C ATOM 1326 O VAL A 86 -13.037 -15.913 32.789 1.00 71.53 O ATOM 1327 CB VAL A 86 -11.277 -13.484 31.567 1.00 34.23 C ATOM 1328 CG1 VAL A 86 -9.827 -13.089 31.334 1.00 31.35 C ATOM 1329 CG2 VAL A 86 -12.216 -12.596 30.765 1.00 10.42 C ATOM 0 H VAL A 86 -11.103 -14.360 29.239 1.00 4.14 H new ATOM 0 HA VAL A 86 -10.743 -15.569 31.710 1.00 70.41 H new ATOM 0 HB VAL A 86 -11.499 -13.347 32.625 1.00 34.23 H new ATOM 0 HG11 VAL A 86 -9.690 -12.039 31.593 1.00 31.35 H new ATOM 0 HG12 VAL A 86 -9.178 -13.704 31.957 1.00 31.35 H new ATOM 0 HG13 VAL A 86 -9.573 -13.240 30.285 1.00 31.35 H new ATOM 0 HG21 VAL A 86 -12.046 -11.553 31.031 1.00 10.42 H new ATOM 0 HG22 VAL A 86 -12.027 -12.735 29.700 1.00 10.42 H new ATOM 0 HG23 VAL A 86 -13.249 -12.863 30.988 1.00 10.42 H new ATOM 1339 N ILE A 87 -13.888 -15.165 30.844 1.00 5.33 N ATOM 1340 CA ILE A 87 -15.259 -15.526 31.179 1.00 32.32 C ATOM 1341 C ILE A 87 -15.481 -17.029 31.043 1.00 45.11 C ATOM 1342 O ILE A 87 -16.328 -17.608 31.723 1.00 15.32 O ATOM 1343 CB ILE A 87 -16.271 -14.787 30.284 1.00 10.52 C ATOM 1344 CG1 ILE A 87 -16.249 -13.286 30.585 1.00 72.44 C ATOM 1345 CG2 ILE A 87 -17.669 -15.352 30.485 1.00 21.34 C ATOM 1346 CD1 ILE A 87 -16.766 -12.939 31.963 1.00 4.42 C ATOM 0 H ILE A 87 -13.778 -14.733 29.926 1.00 5.33 H new ATOM 0 HA ILE A 87 -15.418 -15.229 32.216 1.00 32.32 H new ATOM 0 HB ILE A 87 -15.988 -14.935 29.242 1.00 10.52 H new ATOM 0 HG12 ILE A 87 -15.228 -12.919 30.486 1.00 72.44 H new ATOM 0 HG13 ILE A 87 -16.849 -12.765 29.839 1.00 72.44 H new ATOM 0 HG21 ILE A 87 -18.372 -14.819 29.845 1.00 21.34 H new ATOM 0 HG22 ILE A 87 -17.674 -16.411 30.226 1.00 21.34 H new ATOM 0 HG23 ILE A 87 -17.964 -15.232 31.527 1.00 21.34 H new ATOM 0 HD11 ILE A 87 -16.721 -11.860 32.107 1.00 4.42 H new ATOM 0 HD12 ILE A 87 -17.798 -13.276 32.060 1.00 4.42 H new ATOM 0 HD13 ILE A 87 -16.152 -13.431 32.717 1.00 4.42 H new ATOM 1358 N THR A 88 -14.711 -17.657 30.160 1.00 64.42 N ATOM 1359 CA THR A 88 -14.821 -19.093 29.934 1.00 13.13 C ATOM 1360 C THR A 88 -14.212 -19.880 31.089 1.00 43.41 C ATOM 1361 O THR A 88 -14.761 -20.893 31.522 1.00 53.42 O ATOM 1362 CB THR A 88 -14.131 -19.510 28.622 1.00 25.43 C ATOM 1363 OG1 THR A 88 -15.008 -19.286 27.513 1.00 12.25 O ATOM 1364 CG2 THR A 88 -13.726 -20.976 28.667 1.00 62.15 C ATOM 0 H THR A 88 -14.004 -17.193 29.589 1.00 64.42 H new ATOM 0 HA THR A 88 -15.885 -19.321 29.864 1.00 13.13 H new ATOM 0 HB THR A 88 -13.233 -18.904 28.501 1.00 25.43 H new ATOM 0 HG1 THR A 88 -14.839 -18.397 27.136 1.00 12.25 H new ATOM 0 HG21 THR A 88 -13.241 -21.248 27.730 1.00 62.15 H new ATOM 0 HG22 THR A 88 -13.035 -21.137 29.494 1.00 62.15 H new ATOM 0 HG23 THR A 88 -14.612 -21.594 28.809 1.00 62.15 H new ATOM 1372 N VAL A 89 -13.073 -19.407 31.585 1.00 43.21 N ATOM 1373 CA VAL A 89 -12.389 -20.065 32.692 1.00 70.34 C ATOM 1374 C VAL A 89 -13.121 -19.830 34.008 1.00 50.20 C ATOM 1375 O VAL A 89 -12.997 -20.614 34.949 1.00 64.01 O ATOM 1376 CB VAL A 89 -10.937 -19.570 32.829 1.00 60.34 C ATOM 1377 CG1 VAL A 89 -10.873 -18.345 33.727 1.00 11.51 C ATOM 1378 CG2 VAL A 89 -10.044 -20.680 33.363 1.00 73.22 C ATOM 0 H VAL A 89 -12.604 -18.570 31.238 1.00 43.21 H new ATOM 0 HA VAL A 89 -12.381 -21.132 32.470 1.00 70.34 H new ATOM 0 HB VAL A 89 -10.574 -19.286 31.841 1.00 60.34 H new ATOM 0 HG11 VAL A 89 -9.839 -18.010 33.812 1.00 11.51 H new ATOM 0 HG12 VAL A 89 -11.479 -17.547 33.298 1.00 11.51 H new ATOM 0 HG13 VAL A 89 -11.255 -18.599 34.716 1.00 11.51 H new ATOM 0 HG21 VAL A 89 -9.022 -20.313 33.453 1.00 73.22 H new ATOM 0 HG22 VAL A 89 -10.404 -20.997 34.342 1.00 73.22 H new ATOM 0 HG23 VAL A 89 -10.066 -21.527 32.677 1.00 73.22 H new ATOM 1388 N PHE A 90 -13.886 -18.745 34.068 1.00 44.54 N ATOM 1389 CA PHE A 90 -14.638 -18.405 35.269 1.00 14.33 C ATOM 1390 C PHE A 90 -15.851 -19.317 35.428 1.00 72.15 C ATOM 1391 O PHE A 90 -16.011 -19.984 36.450 1.00 54.01 O ATOM 1392 CB PHE A 90 -15.089 -16.943 35.218 1.00 23.35 C ATOM 1393 CG PHE A 90 -14.316 -16.045 36.141 1.00 24.34 C ATOM 1394 CD1 PHE A 90 -14.215 -16.339 37.492 1.00 53.11 C ATOM 1395 CD2 PHE A 90 -13.689 -14.908 35.659 1.00 64.04 C ATOM 1396 CE1 PHE A 90 -13.505 -15.514 38.343 1.00 12.33 C ATOM 1397 CE2 PHE A 90 -12.977 -14.079 36.505 1.00 25.32 C ATOM 1398 CZ PHE A 90 -12.884 -14.383 37.849 1.00 20.32 C ATOM 0 H PHE A 90 -14.001 -18.086 33.298 1.00 44.54 H new ATOM 0 HA PHE A 90 -13.983 -18.547 36.129 1.00 14.33 H new ATOM 0 HB2 PHE A 90 -14.988 -16.575 34.197 1.00 23.35 H new ATOM 0 HB3 PHE A 90 -16.147 -16.888 35.473 1.00 23.35 H new ATOM 0 HD1 PHE A 90 -14.697 -17.223 37.884 1.00 53.11 H new ATOM 0 HD2 PHE A 90 -13.757 -14.666 34.609 1.00 64.04 H new ATOM 0 HE1 PHE A 90 -13.435 -15.753 39.394 1.00 12.33 H new ATOM 0 HE2 PHE A 90 -12.494 -13.195 36.116 1.00 25.32 H new ATOM 0 HZ PHE A 90 -12.327 -13.738 38.512 1.00 20.32 H new ATOM 1408 N VAL A 91 -16.704 -19.341 34.408 1.00 45.32 N ATOM 1409 CA VAL A 91 -17.902 -20.171 34.432 1.00 0.22 C ATOM 1410 C VAL A 91 -17.557 -21.625 34.732 1.00 71.23 C ATOM 1411 O VAL A 91 -18.305 -22.324 35.418 1.00 43.51 O ATOM 1412 CB VAL A 91 -18.661 -20.100 33.094 1.00 52.30 C ATOM 1413 CG1 VAL A 91 -17.737 -20.444 31.936 1.00 24.13 C ATOM 1414 CG2 VAL A 91 -19.868 -21.026 33.117 1.00 51.42 C ATOM 0 H VAL A 91 -16.587 -18.795 33.555 1.00 45.32 H new ATOM 0 HA VAL A 91 -18.541 -19.782 35.224 1.00 0.22 H new ATOM 0 HB VAL A 91 -19.017 -19.080 32.952 1.00 52.30 H new ATOM 0 HG11 VAL A 91 -18.291 -20.388 30.999 1.00 24.13 H new ATOM 0 HG12 VAL A 91 -16.908 -19.737 31.910 1.00 24.13 H new ATOM 0 HG13 VAL A 91 -17.348 -21.454 32.068 1.00 24.13 H new ATOM 0 HG21 VAL A 91 -20.393 -20.963 32.164 1.00 51.42 H new ATOM 0 HG22 VAL A 91 -19.537 -22.051 33.282 1.00 51.42 H new ATOM 0 HG23 VAL A 91 -20.540 -20.728 33.922 1.00 51.42 H new ATOM 1424 N LEU A 92 -16.420 -22.077 34.214 1.00 52.45 N ATOM 1425 CA LEU A 92 -15.975 -23.449 34.426 1.00 65.33 C ATOM 1426 C LEU A 92 -15.288 -23.596 35.780 1.00 50.21 C ATOM 1427 O LEU A 92 -15.188 -24.697 36.320 1.00 44.50 O ATOM 1428 CB LEU A 92 -15.020 -23.875 33.309 1.00 51.14 C ATOM 1429 CG LEU A 92 -14.429 -25.280 33.430 1.00 50.12 C ATOM 1430 CD1 LEU A 92 -14.472 -25.995 32.088 1.00 1.40 C ATOM 1431 CD2 LEU A 92 -13.003 -25.215 33.956 1.00 3.12 C ATOM 0 H LEU A 92 -15.790 -21.513 33.644 1.00 52.45 H new ATOM 0 HA LEU A 92 -16.853 -24.095 34.412 1.00 65.33 H new ATOM 0 HB2 LEU A 92 -15.550 -23.806 32.359 1.00 51.14 H new ATOM 0 HB3 LEU A 92 -14.199 -23.159 33.268 1.00 51.14 H new ATOM 0 HG LEU A 92 -15.032 -25.847 34.140 1.00 50.12 H new ATOM 0 HD11 LEU A 92 -14.047 -26.993 32.194 1.00 1.40 H new ATOM 0 HD12 LEU A 92 -15.506 -26.074 31.751 1.00 1.40 H new ATOM 0 HD13 LEU A 92 -13.894 -25.430 31.356 1.00 1.40 H new ATOM 0 HD21 LEU A 92 -12.598 -26.224 34.036 1.00 3.12 H new ATOM 0 HD22 LEU A 92 -12.389 -24.631 33.271 1.00 3.12 H new ATOM 0 HD23 LEU A 92 -12.999 -24.744 34.939 1.00 3.12 H new ATOM 1443 N ASN A 93 -14.819 -22.477 36.324 1.00 61.52 N ATOM 1444 CA ASN A 93 -14.143 -22.481 37.616 1.00 33.13 C ATOM 1445 C ASN A 93 -15.100 -22.897 38.729 1.00 15.43 C ATOM 1446 O ASN A 93 -14.717 -23.604 39.661 1.00 42.00 O ATOM 1447 CB ASN A 93 -13.564 -21.097 37.916 1.00 34.04 C ATOM 1448 CG ASN A 93 -12.057 -21.123 38.076 1.00 65.10 C ATOM 1449 OD1 ASN A 93 -11.496 -22.072 38.625 1.00 44.34 O ATOM 1450 ND2 ASN A 93 -11.393 -20.078 37.596 1.00 42.12 N ATOM 0 H ASN A 93 -14.895 -21.557 35.890 1.00 61.52 H new ATOM 0 HA ASN A 93 -13.330 -23.205 37.571 1.00 33.13 H new ATOM 0 HB2 ASN A 93 -13.829 -20.413 37.110 1.00 34.04 H new ATOM 0 HB3 ASN A 93 -14.017 -20.707 38.827 1.00 34.04 H new ATOM 0 HD21 ASN A 93 -10.377 -20.040 37.675 1.00 42.12 H new ATOM 0 HD22 ASN A 93 -11.899 -19.314 37.149 1.00 42.12 H new ATOM 1457 N VAL A 94 -16.349 -22.452 38.625 1.00 30.51 N ATOM 1458 CA VAL A 94 -17.362 -22.779 39.621 1.00 33.22 C ATOM 1459 C VAL A 94 -18.551 -23.489 38.983 1.00 30.54 C ATOM 1460 O VAL A 94 -18.557 -23.756 37.781 1.00 23.22 O ATOM 1461 CB VAL A 94 -17.862 -21.517 40.348 1.00 13.32 C ATOM 1462 CG1 VAL A 94 -17.461 -21.551 41.815 1.00 12.20 C ATOM 1463 CG2 VAL A 94 -17.327 -20.265 39.670 1.00 54.33 C ATOM 0 H VAL A 94 -16.683 -21.864 37.861 1.00 30.51 H new ATOM 0 HA VAL A 94 -16.891 -23.444 40.345 1.00 33.22 H new ATOM 0 HB VAL A 94 -18.950 -21.495 40.294 1.00 13.32 H new ATOM 0 HG11 VAL A 94 -17.823 -20.651 42.312 1.00 12.20 H new ATOM 0 HG12 VAL A 94 -17.897 -22.429 42.291 1.00 12.20 H new ATOM 0 HG13 VAL A 94 -16.375 -21.597 41.894 1.00 12.20 H new ATOM 0 HG21 VAL A 94 -17.690 -19.383 40.197 1.00 54.33 H new ATOM 0 HG22 VAL A 94 -16.237 -20.277 39.691 1.00 54.33 H new ATOM 0 HG23 VAL A 94 -17.670 -20.237 38.636 1.00 54.33 H new ATOM 1644 N GLY A 108 -27.938 -27.173 26.454 1.00 4.23 N ATOM 1645 CA GLY A 108 -27.555 -26.687 25.141 1.00 33.23 C ATOM 1646 C GLY A 108 -26.636 -25.484 25.213 1.00 14.11 C ATOM 1647 O GLY A 108 -26.662 -24.622 24.334 1.00 64.11 O ATOM 0 HA2 GLY A 108 -27.059 -27.487 24.592 1.00 33.23 H new ATOM 0 HA3 GLY A 108 -28.451 -26.423 24.579 1.00 33.23 H new ATOM 1651 N ILE A 109 -25.824 -25.423 26.263 1.00 33.41 N ATOM 1652 CA ILE A 109 -24.894 -24.316 26.446 1.00 71.20 C ATOM 1653 C ILE A 109 -23.699 -24.442 25.508 1.00 44.13 C ATOM 1654 O ILE A 109 -23.171 -23.442 25.021 1.00 41.03 O ATOM 1655 CB ILE A 109 -24.387 -24.241 27.898 1.00 21.13 C ATOM 1656 CG1 ILE A 109 -25.558 -24.349 28.877 1.00 72.32 C ATOM 1657 CG2 ILE A 109 -23.618 -22.948 28.125 1.00 53.24 C ATOM 1658 CD1 ILE A 109 -25.137 -24.318 30.329 1.00 10.33 C ATOM 0 H ILE A 109 -25.791 -26.127 27.000 1.00 33.41 H new ATOM 0 HA ILE A 109 -25.441 -23.402 26.213 1.00 71.20 H new ATOM 0 HB ILE A 109 -23.712 -25.078 28.074 1.00 21.13 H new ATOM 0 HG12 ILE A 109 -26.253 -23.530 28.691 1.00 72.32 H new ATOM 0 HG13 ILE A 109 -26.098 -25.276 28.684 1.00 72.32 H new ATOM 0 HG21 ILE A 109 -23.266 -22.910 29.156 1.00 53.24 H new ATOM 0 HG22 ILE A 109 -22.764 -22.909 27.449 1.00 53.24 H new ATOM 0 HG23 ILE A 109 -24.272 -22.097 27.933 1.00 53.24 H new ATOM 0 HD11 ILE A 109 -26.018 -24.399 30.965 1.00 10.33 H new ATOM 0 HD12 ILE A 109 -24.466 -25.153 30.531 1.00 10.33 H new ATOM 0 HD13 ILE A 109 -24.623 -23.380 30.539 1.00 10.33 H new ATOM 1670 N ASP A 110 -23.278 -25.677 25.257 1.00 4.32 N ATOM 1671 CA ASP A 110 -22.146 -25.934 24.374 1.00 22.34 C ATOM 1672 C ASP A 110 -22.512 -25.644 22.922 1.00 33.53 C ATOM 1673 O ASP A 110 -21.792 -24.935 22.220 1.00 52.22 O ATOM 1674 CB ASP A 110 -21.681 -27.384 24.516 1.00 24.44 C ATOM 1675 CG ASP A 110 -20.380 -27.502 25.286 1.00 20.44 C ATOM 1676 OD1 ASP A 110 -20.117 -26.633 26.144 1.00 62.21 O ATOM 1677 OD2 ASP A 110 -19.626 -28.464 25.032 1.00 23.42 O ATOM 0 H ASP A 110 -23.703 -26.516 25.652 1.00 4.32 H new ATOM 0 HA ASP A 110 -21.332 -25.269 24.664 1.00 22.34 H new ATOM 0 HB2 ASP A 110 -22.454 -27.962 25.023 1.00 24.44 H new ATOM 0 HB3 ASP A 110 -21.554 -27.821 23.525 1.00 24.44 H new ATOM 1682 N ARG A 111 -23.636 -26.199 22.479 1.00 63.11 N ATOM 1683 CA ARG A 111 -24.096 -26.002 21.110 1.00 75.02 C ATOM 1684 C ARG A 111 -24.219 -24.516 20.786 1.00 13.11 C ATOM 1685 O ARG A 111 -23.780 -24.063 19.729 1.00 40.41 O ATOM 1686 CB ARG A 111 -25.444 -26.694 20.898 1.00 32.11 C ATOM 1687 CG ARG A 111 -26.495 -26.309 21.927 1.00 62.21 C ATOM 1688 CD ARG A 111 -27.749 -27.158 21.787 1.00 40.45 C ATOM 1689 NE ARG A 111 -28.924 -26.350 21.470 1.00 3.42 N ATOM 1690 CZ ARG A 111 -30.137 -26.858 21.285 1.00 41.25 C ATOM 1691 NH1 ARG A 111 -30.334 -28.165 21.384 1.00 62.25 N ATOM 1692 NH2 ARG A 111 -31.156 -26.058 21.000 1.00 53.43 N ATOM 0 H ARG A 111 -24.244 -26.788 23.048 1.00 63.11 H new ATOM 0 HA ARG A 111 -23.359 -26.443 20.439 1.00 75.02 H new ATOM 0 HB2 ARG A 111 -25.816 -26.450 19.903 1.00 32.11 H new ATOM 0 HB3 ARG A 111 -25.297 -27.774 20.927 1.00 32.11 H new ATOM 0 HG2 ARG A 111 -26.084 -26.427 22.930 1.00 62.21 H new ATOM 0 HG3 ARG A 111 -26.752 -25.256 21.810 1.00 62.21 H new ATOM 0 HD2 ARG A 111 -27.598 -27.901 21.004 1.00 40.45 H new ATOM 0 HD3 ARG A 111 -27.923 -27.703 22.715 1.00 40.45 H new ATOM 0 HE ARG A 111 -28.806 -25.340 21.386 1.00 3.42 H new ATOM 0 HH11 ARG A 111 -29.553 -28.783 21.603 1.00 62.25 H new ATOM 0 HH12 ARG A 111 -31.267 -28.552 21.241 1.00 62.25 H new ATOM 0 HH21 ARG A 111 -31.008 -25.052 20.923 1.00 53.43 H new ATOM 0 HH22 ARG A 111 -32.087 -26.449 20.858 1.00 53.43 H new ATOM 1706 N ILE A 112 -24.819 -23.764 21.703 1.00 53.25 N ATOM 1707 CA ILE A 112 -24.999 -22.330 21.515 1.00 52.45 C ATOM 1708 C ILE A 112 -23.680 -21.584 21.680 1.00 5.32 C ATOM 1709 O ILE A 112 -23.433 -20.580 21.011 1.00 13.35 O ATOM 1710 CB ILE A 112 -26.028 -21.756 22.507 1.00 70.41 C ATOM 1711 CG1 ILE A 112 -27.409 -22.364 22.251 1.00 1.32 C ATOM 1712 CG2 ILE A 112 -26.082 -20.240 22.397 1.00 3.12 C ATOM 1713 CD1 ILE A 112 -27.951 -22.072 20.870 1.00 50.35 C ATOM 0 H ILE A 112 -25.188 -24.124 22.583 1.00 53.25 H new ATOM 0 HA ILE A 112 -25.369 -22.190 20.499 1.00 52.45 H new ATOM 0 HB ILE A 112 -25.719 -22.016 23.519 1.00 70.41 H new ATOM 0 HG12 ILE A 112 -27.353 -23.444 22.390 1.00 1.32 H new ATOM 0 HG13 ILE A 112 -28.108 -21.983 22.995 1.00 1.32 H new ATOM 0 HG21 ILE A 112 -26.814 -19.850 23.104 1.00 3.12 H new ATOM 0 HG22 ILE A 112 -25.100 -19.824 22.623 1.00 3.12 H new ATOM 0 HG23 ILE A 112 -26.371 -19.959 21.384 1.00 3.12 H new ATOM 0 HD11 ILE A 112 -28.932 -22.533 20.759 1.00 50.35 H new ATOM 0 HD12 ILE A 112 -28.040 -20.994 20.734 1.00 50.35 H new ATOM 0 HD13 ILE A 112 -27.272 -22.478 20.120 1.00 50.35 H new ATOM 1725 N PHE A 113 -22.833 -22.082 22.575 1.00 64.33 N ATOM 1726 CA PHE A 113 -21.537 -21.464 22.828 1.00 5.21 C ATOM 1727 C PHE A 113 -20.742 -21.316 21.534 1.00 61.31 C ATOM 1728 O PHE A 113 -20.385 -20.207 21.134 1.00 24.32 O ATOM 1729 CB PHE A 113 -20.740 -22.294 23.837 1.00 51.10 C ATOM 1730 CG PHE A 113 -19.294 -21.898 23.930 1.00 32.14 C ATOM 1731 CD1 PHE A 113 -18.346 -22.490 23.112 1.00 40.34 C ATOM 1732 CD2 PHE A 113 -18.883 -20.935 24.838 1.00 53.35 C ATOM 1733 CE1 PHE A 113 -17.015 -22.127 23.195 1.00 64.53 C ATOM 1734 CE2 PHE A 113 -17.554 -20.568 24.925 1.00 64.12 C ATOM 1735 CZ PHE A 113 -16.618 -21.166 24.103 1.00 21.13 C ATOM 0 H PHE A 113 -23.021 -22.912 23.137 1.00 64.33 H new ATOM 0 HA PHE A 113 -21.712 -20.471 23.242 1.00 5.21 H new ATOM 0 HB2 PHE A 113 -21.200 -22.195 24.820 1.00 51.10 H new ATOM 0 HB3 PHE A 113 -20.803 -23.346 23.560 1.00 51.10 H new ATOM 0 HD1 PHE A 113 -18.650 -23.244 22.401 1.00 40.34 H new ATOM 0 HD2 PHE A 113 -19.610 -20.466 25.485 1.00 53.35 H new ATOM 0 HE1 PHE A 113 -16.286 -22.595 22.550 1.00 64.53 H new ATOM 0 HE2 PHE A 113 -17.247 -19.814 25.635 1.00 64.12 H new ATOM 0 HZ PHE A 113 -15.578 -20.882 24.171 1.00 21.13 H new ATOM 1745 N LEU A 114 -20.468 -22.442 20.883 1.00 12.34 N ATOM 1746 CA LEU A 114 -19.715 -22.440 19.634 1.00 51.50 C ATOM 1747 C LEU A 114 -20.492 -21.728 18.531 1.00 73.41 C ATOM 1748 O LEU A 114 -19.907 -21.215 17.578 1.00 63.04 O ATOM 1749 CB LEU A 114 -19.396 -23.873 19.206 1.00 45.23 C ATOM 1750 CG LEU A 114 -20.479 -24.589 18.398 1.00 25.33 C ATOM 1751 CD1 LEU A 114 -20.223 -24.434 16.907 1.00 32.12 C ATOM 1752 CD2 LEU A 114 -20.542 -26.061 18.780 1.00 74.00 C ATOM 0 H LEU A 114 -20.756 -23.368 21.200 1.00 12.34 H new ATOM 0 HA LEU A 114 -18.782 -21.901 19.801 1.00 51.50 H new ATOM 0 HB2 LEU A 114 -18.480 -23.859 18.616 1.00 45.23 H new ATOM 0 HB3 LEU A 114 -19.190 -24.461 20.101 1.00 45.23 H new ATOM 0 HG LEU A 114 -21.441 -24.132 18.630 1.00 25.33 H new ATOM 0 HD11 LEU A 114 -21.004 -24.950 16.348 1.00 32.12 H new ATOM 0 HD12 LEU A 114 -20.228 -23.376 16.645 1.00 32.12 H new ATOM 0 HD13 LEU A 114 -19.253 -24.865 16.658 1.00 32.12 H new ATOM 0 HD21 LEU A 114 -21.318 -26.556 18.196 1.00 74.00 H new ATOM 0 HD22 LEU A 114 -19.580 -26.531 18.577 1.00 74.00 H new ATOM 0 HD23 LEU A 114 -20.774 -26.152 19.841 1.00 74.00 H new ATOM 1764 N TRP A 115 -21.813 -21.701 18.669 1.00 41.52 N ATOM 1765 CA TRP A 115 -22.670 -21.050 17.685 1.00 54.24 C ATOM 1766 C TRP A 115 -22.468 -19.539 17.701 1.00 14.31 C ATOM 1767 O TRP A 115 -22.682 -18.864 16.694 1.00 21.03 O ATOM 1768 CB TRP A 115 -24.138 -21.384 17.957 1.00 50.35 C ATOM 1769 CG TRP A 115 -24.756 -22.249 16.900 1.00 22.34 C ATOM 1770 CD1 TRP A 115 -25.332 -23.475 17.079 1.00 44.24 C ATOM 1771 CD2 TRP A 115 -24.857 -21.955 15.503 1.00 75.41 C ATOM 1772 NE1 TRP A 115 -25.785 -23.961 15.876 1.00 40.51 N ATOM 1773 CE2 TRP A 115 -25.507 -23.047 14.894 1.00 51.12 C ATOM 1774 CE3 TRP A 115 -24.465 -20.876 14.707 1.00 10.11 C ATOM 1775 CZ2 TRP A 115 -25.770 -23.088 13.527 1.00 13.02 C ATOM 1776 CZ3 TRP A 115 -24.727 -20.918 13.351 1.00 63.31 C ATOM 1777 CH2 TRP A 115 -25.375 -22.018 12.772 1.00 1.50 C ATOM 0 H TRP A 115 -22.313 -22.122 19.452 1.00 41.52 H new ATOM 0 HA TRP A 115 -22.396 -21.423 16.698 1.00 54.24 H new ATOM 0 HB2 TRP A 115 -24.216 -21.888 18.920 1.00 50.35 H new ATOM 0 HB3 TRP A 115 -24.706 -20.457 18.035 1.00 50.35 H new ATOM 0 HD1 TRP A 115 -25.419 -23.987 18.026 1.00 44.24 H new ATOM 0 HE1 TRP A 115 -26.252 -24.857 15.737 1.00 40.51 H new ATOM 0 HE3 TRP A 115 -23.966 -20.024 15.144 1.00 10.11 H new ATOM 0 HZ2 TRP A 115 -26.268 -23.935 13.079 1.00 13.02 H new ATOM 0 HZ3 TRP A 115 -24.427 -20.089 12.727 1.00 63.31 H new ATOM 0 HH2 TRP A 115 -25.566 -22.021 11.709 1.00 1.50 H new ATOM 1788 N MET A 116 -22.056 -19.014 18.850 1.00 2.41 N ATOM 1789 CA MET A 116 -21.824 -17.581 18.996 1.00 61.23 C ATOM 1790 C MET A 116 -20.490 -17.180 18.374 1.00 21.50 C ATOM 1791 O MET A 116 -20.418 -16.230 17.595 1.00 65.24 O ATOM 1792 CB MET A 116 -21.850 -17.186 20.474 1.00 73.25 C ATOM 1793 CG MET A 116 -22.734 -15.985 20.766 1.00 53.43 C ATOM 1794 SD MET A 116 -21.797 -14.556 21.341 1.00 44.00 S ATOM 1795 CE MET A 116 -20.514 -14.469 20.094 1.00 2.50 C ATOM 0 H MET A 116 -21.876 -19.559 19.693 1.00 2.41 H new ATOM 0 HA MET A 116 -22.622 -17.054 18.473 1.00 61.23 H new ATOM 0 HB2 MET A 116 -22.198 -18.035 21.062 1.00 73.25 H new ATOM 0 HB3 MET A 116 -20.834 -16.967 20.801 1.00 73.25 H new ATOM 0 HG2 MET A 116 -23.283 -15.715 19.864 1.00 53.43 H new ATOM 0 HG3 MET A 116 -23.473 -16.257 21.520 1.00 53.43 H new ATOM 0 HE1 MET A 116 -20.078 -13.470 20.089 1.00 2.50 H new ATOM 0 HE2 MET A 116 -19.739 -15.202 20.318 1.00 2.50 H new ATOM 0 HE3 MET A 116 -20.943 -14.682 19.115 1.00 2.50 H new ATOM 1805 N PHE A 117 -19.436 -17.911 18.724 1.00 50.52 N ATOM 1806 CA PHE A 117 -18.104 -17.630 18.201 1.00 50.11 C ATOM 1807 C PHE A 117 -18.124 -17.547 16.677 1.00 13.24 C ATOM 1808 O PHE A 117 -17.497 -16.669 16.085 1.00 44.42 O ATOM 1809 CB PHE A 117 -17.118 -18.710 18.651 1.00 73.21 C ATOM 1810 CG PHE A 117 -16.614 -18.515 20.052 1.00 23.10 C ATOM 1811 CD1 PHE A 117 -17.468 -18.648 21.135 1.00 43.11 C ATOM 1812 CD2 PHE A 117 -15.285 -18.198 20.286 1.00 32.32 C ATOM 1813 CE1 PHE A 117 -17.007 -18.469 22.426 1.00 64.43 C ATOM 1814 CE2 PHE A 117 -14.818 -18.019 21.575 1.00 73.14 C ATOM 1815 CZ PHE A 117 -15.680 -18.154 22.646 1.00 52.45 C ATOM 0 H PHE A 117 -19.479 -18.702 19.367 1.00 50.52 H new ATOM 0 HA PHE A 117 -17.782 -16.666 18.596 1.00 50.11 H new ATOM 0 HB2 PHE A 117 -17.601 -19.684 18.580 1.00 73.21 H new ATOM 0 HB3 PHE A 117 -16.270 -18.724 17.967 1.00 73.21 H new ATOM 0 HD1 PHE A 117 -18.506 -18.894 20.969 1.00 43.11 H new ATOM 0 HD2 PHE A 117 -14.607 -18.090 19.452 1.00 32.32 H new ATOM 0 HE1 PHE A 117 -17.683 -18.575 23.261 1.00 64.43 H new ATOM 0 HE2 PHE A 117 -13.780 -17.774 21.744 1.00 73.14 H new ATOM 0 HZ PHE A 117 -15.317 -18.014 23.653 1.00 52.45 H new ATOM 1825 N ILE A 118 -18.849 -18.467 16.050 1.00 31.13 N ATOM 1826 CA ILE A 118 -18.952 -18.498 14.597 1.00 43.14 C ATOM 1827 C ILE A 118 -19.938 -17.449 14.093 1.00 63.52 C ATOM 1828 O ILE A 118 -19.881 -17.036 12.934 1.00 11.45 O ATOM 1829 CB ILE A 118 -19.392 -19.885 14.093 1.00 55.13 C ATOM 1830 CG1 ILE A 118 -20.791 -20.220 14.614 1.00 74.21 C ATOM 1831 CG2 ILE A 118 -18.392 -20.947 14.523 1.00 32.32 C ATOM 1832 CD1 ILE A 118 -21.302 -21.567 14.151 1.00 0.22 C ATOM 0 H ILE A 118 -19.374 -19.201 16.526 1.00 31.13 H new ATOM 0 HA ILE A 118 -17.959 -18.277 14.206 1.00 43.14 H new ATOM 0 HB ILE A 118 -19.425 -19.866 13.004 1.00 55.13 H new ATOM 0 HG12 ILE A 118 -20.778 -20.200 15.704 1.00 74.21 H new ATOM 0 HG13 ILE A 118 -21.486 -19.446 14.289 1.00 74.21 H new ATOM 0 HG21 ILE A 118 -18.717 -21.922 14.159 1.00 32.32 H new ATOM 0 HG22 ILE A 118 -17.412 -20.713 14.108 1.00 32.32 H new ATOM 0 HG23 ILE A 118 -18.329 -20.968 15.611 1.00 32.32 H new ATOM 0 HD11 ILE A 118 -22.299 -21.738 14.558 1.00 0.22 H new ATOM 0 HD12 ILE A 118 -21.347 -21.584 13.062 1.00 0.22 H new ATOM 0 HD13 ILE A 118 -20.629 -22.351 14.499 1.00 0.22 H new ATOM 1844 N ILE A 119 -20.839 -17.023 14.971 1.00 52.12 N ATOM 1845 CA ILE A 119 -21.836 -16.020 14.616 1.00 61.33 C ATOM 1846 C ILE A 119 -21.194 -14.650 14.427 1.00 51.01 C ATOM 1847 O ILE A 119 -21.646 -13.848 13.610 1.00 53.21 O ATOM 1848 CB ILE A 119 -22.936 -15.916 15.688 1.00 34.00 C ATOM 1849 CG1 ILE A 119 -24.285 -16.348 15.109 1.00 33.24 C ATOM 1850 CG2 ILE A 119 -23.016 -14.496 16.229 1.00 72.24 C ATOM 1851 CD1 ILE A 119 -25.115 -17.177 16.065 1.00 52.40 C ATOM 0 H ILE A 119 -20.900 -17.356 15.933 1.00 52.12 H new ATOM 0 HA ILE A 119 -22.286 -16.340 13.676 1.00 61.33 H new ATOM 0 HB ILE A 119 -22.684 -16.584 16.512 1.00 34.00 H new ATOM 0 HG12 ILE A 119 -24.851 -15.460 14.825 1.00 33.24 H new ATOM 0 HG13 ILE A 119 -24.113 -16.921 14.198 1.00 33.24 H new ATOM 0 HG21 ILE A 119 -23.798 -14.439 16.986 1.00 72.24 H new ATOM 0 HG22 ILE A 119 -22.060 -14.222 16.674 1.00 72.24 H new ATOM 0 HG23 ILE A 119 -23.248 -13.809 15.415 1.00 72.24 H new ATOM 0 HD11 ILE A 119 -26.057 -17.448 15.588 1.00 52.40 H new ATOM 0 HD12 ILE A 119 -24.569 -18.082 16.330 1.00 52.40 H new ATOM 0 HD13 ILE A 119 -25.318 -16.599 16.967 1.00 52.40 H new ATOM 1863 N VAL A 120 -20.136 -14.389 15.187 1.00 5.54 N ATOM 1864 CA VAL A 120 -19.429 -13.116 15.102 1.00 23.23 C ATOM 1865 C VAL A 120 -18.388 -13.139 13.989 1.00 63.23 C ATOM 1866 O VAL A 120 -18.083 -12.108 13.388 1.00 14.11 O ATOM 1867 CB VAL A 120 -18.734 -12.770 16.433 1.00 62.14 C ATOM 1868 CG1 VAL A 120 -19.764 -12.504 17.520 1.00 63.41 C ATOM 1869 CG2 VAL A 120 -17.787 -13.887 16.845 1.00 31.20 C ATOM 0 H VAL A 120 -19.749 -15.042 15.869 1.00 5.54 H new ATOM 0 HA VAL A 120 -20.176 -12.353 14.881 1.00 23.23 H new ATOM 0 HB VAL A 120 -18.148 -11.862 16.292 1.00 62.14 H new ATOM 0 HG11 VAL A 120 -19.254 -12.261 18.453 1.00 63.41 H new ATOM 0 HG12 VAL A 120 -20.397 -11.668 17.224 1.00 63.41 H new ATOM 0 HG13 VAL A 120 -20.379 -13.392 17.663 1.00 63.41 H new ATOM 0 HG21 VAL A 120 -17.305 -13.626 17.787 1.00 31.20 H new ATOM 0 HG22 VAL A 120 -18.349 -14.813 16.969 1.00 31.20 H new ATOM 0 HG23 VAL A 120 -17.028 -14.023 16.074 1.00 31.20 H new ATOM 1879 N CYS A 121 -17.845 -14.321 13.718 1.00 74.10 N ATOM 1880 CA CYS A 121 -16.837 -14.479 12.676 1.00 73.13 C ATOM 1881 C CYS A 121 -17.429 -14.193 11.299 1.00 2.43 C ATOM 1882 O CYS A 121 -16.864 -13.428 10.516 1.00 51.11 O ATOM 1883 CB CYS A 121 -16.256 -15.893 12.710 1.00 64.11 C ATOM 1884 SG CYS A 121 -15.113 -16.188 14.079 1.00 25.14 S ATOM 0 H CYS A 121 -18.086 -15.184 14.206 1.00 74.10 H new ATOM 0 HA CYS A 121 -16.039 -13.761 12.865 1.00 73.13 H new ATOM 0 HB2 CYS A 121 -17.075 -16.609 12.774 1.00 64.11 H new ATOM 0 HB3 CYS A 121 -15.738 -16.084 11.770 1.00 64.11 H new ATOM 0 HG CYS A 121 -15.788 -16.438 15.162 1.00 25.14 H new ATOM 1890 N LEU A 122 -18.568 -14.812 11.010 1.00 2.02 N ATOM 1891 CA LEU A 122 -19.236 -14.625 9.727 1.00 70.10 C ATOM 1892 C LEU A 122 -19.867 -13.239 9.638 1.00 31.34 C ATOM 1893 O LEU A 122 -19.688 -12.526 8.650 1.00 12.23 O ATOM 1894 CB LEU A 122 -20.306 -15.699 9.526 1.00 74.22 C ATOM 1895 CG LEU A 122 -20.247 -16.467 8.205 1.00 62.21 C ATOM 1896 CD1 LEU A 122 -20.349 -15.511 7.027 1.00 61.24 C ATOM 1897 CD2 LEU A 122 -18.966 -17.285 8.121 1.00 74.20 C ATOM 0 H LEU A 122 -19.048 -15.448 11.647 1.00 2.02 H new ATOM 0 HA LEU A 122 -18.488 -14.714 8.939 1.00 70.10 H new ATOM 0 HB2 LEU A 122 -20.231 -16.416 10.344 1.00 74.22 H new ATOM 0 HB3 LEU A 122 -21.285 -15.227 9.605 1.00 74.22 H new ATOM 0 HG LEU A 122 -21.095 -17.151 8.166 1.00 62.21 H new ATOM 0 HD11 LEU A 122 -20.305 -16.075 6.096 1.00 61.24 H new ATOM 0 HD12 LEU A 122 -21.293 -14.969 7.079 1.00 61.24 H new ATOM 0 HD13 LEU A 122 -19.522 -14.802 7.061 1.00 61.24 H new ATOM 0 HD21 LEU A 122 -18.941 -17.825 7.175 1.00 74.20 H new ATOM 0 HD22 LEU A 122 -18.105 -16.620 8.182 1.00 74.20 H new ATOM 0 HD23 LEU A 122 -18.934 -17.997 8.946 1.00 74.20 H new ATOM 1909 N LEU A 123 -20.604 -12.863 10.678 1.00 72.15 N ATOM 1910 CA LEU A 123 -21.260 -11.561 10.719 1.00 54.13 C ATOM 1911 C LEU A 123 -20.246 -10.434 10.547 1.00 34.44 C ATOM 1912 O LEU A 123 -20.342 -9.636 9.616 1.00 4.13 O ATOM 1913 CB LEU A 123 -22.013 -11.389 12.039 1.00 1.43 C ATOM 1914 CG LEU A 123 -22.685 -10.032 12.257 1.00 61.40 C ATOM 1915 CD1 LEU A 123 -21.718 -9.056 12.907 1.00 4.44 C ATOM 1916 CD2 LEU A 123 -23.202 -9.476 10.938 1.00 1.44 C ATOM 0 H LEU A 123 -20.762 -13.441 11.503 1.00 72.15 H new ATOM 0 HA LEU A 123 -21.971 -11.513 9.894 1.00 54.13 H new ATOM 0 HB2 LEU A 123 -22.776 -12.164 12.102 1.00 1.43 H new ATOM 0 HB3 LEU A 123 -21.315 -11.562 12.858 1.00 1.43 H new ATOM 0 HG LEU A 123 -23.533 -10.171 12.927 1.00 61.40 H new ATOM 0 HD11 LEU A 123 -22.214 -8.096 13.054 1.00 4.44 H new ATOM 0 HD12 LEU A 123 -21.396 -9.450 13.871 1.00 4.44 H new ATOM 0 HD13 LEU A 123 -20.849 -8.921 12.262 1.00 4.44 H new ATOM 0 HD21 LEU A 123 -23.677 -8.510 11.111 1.00 1.44 H new ATOM 0 HD22 LEU A 123 -22.370 -9.352 10.244 1.00 1.44 H new ATOM 0 HD23 LEU A 123 -23.929 -10.167 10.512 1.00 1.44 H new ATOM 1928 N GLY A 124 -19.273 -10.378 11.452 1.00 15.10 N ATOM 1929 CA GLY A 124 -18.254 -9.347 11.382 1.00 73.21 C ATOM 1930 C GLY A 124 -17.562 -9.307 10.034 1.00 22.31 C ATOM 1931 O GLY A 124 -17.285 -8.232 9.501 1.00 63.31 O ATOM 0 H GLY A 124 -19.173 -11.028 12.232 1.00 15.10 H new ATOM 0 HA2 GLY A 124 -18.709 -8.377 11.583 1.00 73.21 H new ATOM 0 HA3 GLY A 124 -17.513 -9.519 12.163 1.00 73.21 H new ATOM 1935 N THR A 125 -17.279 -10.483 9.481 1.00 51.44 N ATOM 1936 CA THR A 125 -16.612 -10.578 8.188 1.00 31.13 C ATOM 1937 C THR A 125 -17.489 -10.019 7.074 1.00 34.11 C ATOM 1938 O THR A 125 -16.999 -9.371 6.150 1.00 64.04 O ATOM 1939 CB THR A 125 -16.243 -12.035 7.853 1.00 24.42 C ATOM 1940 OG1 THR A 125 -15.054 -12.414 8.556 1.00 1.44 O ATOM 1941 CG2 THR A 125 -16.030 -12.209 6.357 1.00 61.30 C ATOM 0 H THR A 125 -17.501 -11.382 9.908 1.00 51.44 H new ATOM 0 HA THR A 125 -15.699 -9.986 8.259 1.00 31.13 H new ATOM 0 HB THR A 125 -17.068 -12.676 8.164 1.00 24.42 H new ATOM 0 HG1 THR A 125 -15.298 -12.866 9.391 1.00 1.44 H new ATOM 0 HG21 THR A 125 -15.770 -13.246 6.145 1.00 61.30 H new ATOM 0 HG22 THR A 125 -16.946 -11.948 5.826 1.00 61.30 H new ATOM 0 HG23 THR A 125 -15.221 -11.557 6.026 1.00 61.30 H new ATOM 1949 N VAL A 126 -18.791 -10.273 7.168 1.00 62.31 N ATOM 1950 CA VAL A 126 -19.737 -9.793 6.168 1.00 35.52 C ATOM 1951 C VAL A 126 -19.777 -8.270 6.135 1.00 1.23 C ATOM 1952 O VAL A 126 -19.673 -7.658 5.073 1.00 62.41 O ATOM 1953 CB VAL A 126 -21.157 -10.327 6.438 1.00 61.24 C ATOM 1954 CG1 VAL A 126 -22.178 -9.580 5.593 1.00 63.44 C ATOM 1955 CG2 VAL A 126 -21.223 -11.823 6.170 1.00 60.22 C ATOM 0 H VAL A 126 -19.214 -10.808 7.926 1.00 62.31 H new ATOM 0 HA VAL A 126 -19.393 -10.165 5.203 1.00 35.52 H new ATOM 0 HB VAL A 126 -21.397 -10.158 7.488 1.00 61.24 H new ATOM 0 HG11 VAL A 126 -23.175 -9.971 5.797 1.00 63.44 H new ATOM 0 HG12 VAL A 126 -22.147 -8.519 5.839 1.00 63.44 H new ATOM 0 HG13 VAL A 126 -21.945 -9.715 4.537 1.00 63.44 H new ATOM 0 HG21 VAL A 126 -22.233 -12.183 6.366 1.00 60.22 H new ATOM 0 HG22 VAL A 126 -20.963 -12.018 5.129 1.00 60.22 H new ATOM 0 HG23 VAL A 126 -20.520 -12.341 6.823 1.00 60.22 H new ATOM 1965 N GLY A 127 -19.928 -7.662 7.308 1.00 3.41 N ATOM 1966 CA GLY A 127 -19.978 -6.214 7.392 1.00 42.32 C ATOM 1967 C GLY A 127 -18.688 -5.562 6.936 1.00 5.41 C ATOM 1968 O GLY A 127 -18.677 -4.392 6.551 1.00 44.33 O ATOM 0 H GLY A 127 -20.017 -8.146 8.201 1.00 3.41 H new ATOM 0 HA2 GLY A 127 -20.803 -5.846 6.782 1.00 42.32 H new ATOM 0 HA3 GLY A 127 -20.186 -5.920 8.421 1.00 42.32 H new ATOM 1972 N LEU A 128 -17.596 -6.318 6.981 1.00 14.01 N ATOM 1973 CA LEU A 128 -16.293 -5.806 6.571 1.00 73.30 C ATOM 1974 C LEU A 128 -16.136 -5.868 5.055 1.00 35.30 C ATOM 1975 O LEU A 128 -15.713 -4.900 4.424 1.00 11.40 O ATOM 1976 CB LEU A 128 -15.175 -6.604 7.244 1.00 72.41 C ATOM 1977 CG LEU A 128 -13.752 -6.097 7.008 1.00 53.42 C ATOM 1978 CD1 LEU A 128 -13.643 -4.625 7.374 1.00 53.42 C ATOM 1979 CD2 LEU A 128 -12.752 -6.922 7.805 1.00 55.32 C ATOM 0 H LEU A 128 -17.587 -7.288 7.297 1.00 14.01 H new ATOM 0 HA LEU A 128 -16.225 -4.764 6.882 1.00 73.30 H new ATOM 0 HB2 LEU A 128 -15.361 -6.617 8.318 1.00 72.41 H new ATOM 0 HB3 LEU A 128 -15.234 -7.636 6.898 1.00 72.41 H new ATOM 0 HG LEU A 128 -13.519 -6.206 5.949 1.00 53.42 H new ATOM 0 HD11 LEU A 128 -12.623 -4.281 7.200 1.00 53.42 H new ATOM 0 HD12 LEU A 128 -14.331 -4.045 6.759 1.00 53.42 H new ATOM 0 HD13 LEU A 128 -13.896 -4.492 8.426 1.00 53.42 H new ATOM 0 HD21 LEU A 128 -11.745 -6.547 7.624 1.00 55.32 H new ATOM 0 HD22 LEU A 128 -12.983 -6.846 8.868 1.00 55.32 H new ATOM 0 HD23 LEU A 128 -12.811 -7.965 7.495 1.00 55.32 H new ATOM 1991 N PHE A 129 -16.482 -7.013 4.476 1.00 75.21 N ATOM 1992 CA PHE A 129 -16.381 -7.202 3.033 1.00 14.54 C ATOM 1993 C PHE A 129 -17.343 -6.275 2.295 1.00 3.52 C ATOM 1994 O PHE A 129 -17.065 -5.836 1.178 1.00 14.42 O ATOM 1995 CB PHE A 129 -16.676 -8.657 2.666 1.00 64.31 C ATOM 1996 CG PHE A 129 -15.439 -9.483 2.451 1.00 54.14 C ATOM 1997 CD1 PHE A 129 -14.371 -9.397 3.329 1.00 51.54 C ATOM 1998 CD2 PHE A 129 -15.346 -10.345 1.370 1.00 44.12 C ATOM 1999 CE1 PHE A 129 -13.232 -10.155 3.134 1.00 72.14 C ATOM 2000 CE2 PHE A 129 -14.210 -11.106 1.170 1.00 25.10 C ATOM 2001 CZ PHE A 129 -13.151 -11.010 2.052 1.00 31.22 C ATOM 0 H PHE A 129 -16.835 -7.824 4.984 1.00 75.21 H new ATOM 0 HA PHE A 129 -15.363 -6.957 2.730 1.00 14.54 H new ATOM 0 HB2 PHE A 129 -17.272 -9.110 3.458 1.00 64.31 H new ATOM 0 HB3 PHE A 129 -17.281 -8.679 1.759 1.00 64.31 H new ATOM 0 HD1 PHE A 129 -14.429 -8.730 4.176 1.00 51.54 H new ATOM 0 HD2 PHE A 129 -16.170 -10.423 0.676 1.00 44.12 H new ATOM 0 HE1 PHE A 129 -12.407 -10.079 3.826 1.00 72.14 H new ATOM 0 HE2 PHE A 129 -14.150 -11.775 0.325 1.00 25.10 H new ATOM 0 HZ PHE A 129 -12.261 -11.602 1.896 1.00 31.22 H new