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 Set 1.1: A 18 CYS SG : rot 180:sc= 1.12 USER MOD Set 1.2: A 22 SER OG : rot 170:sc= 1.25 USER MOD Set 1.3: A 73 TYR OH : rot 58:sc= 1.44 USER MOD Set 1.4: A 121 CYS SG : rot 79:sc= 1.83 USER MOD Single : A 10 TYR OH : rot 0:sc= -2.23! USER MOD Single : A 11 THR OG1 : rot 150:sc= 0.064 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 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= -0.0216 (180deg=-0.0216) USER MOD Single : A 40 THR OG1 : rot 55:sc= -0.103 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 72:sc= 0.73 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 57 THR OG1 : rot -54:sc= 1.29 USER MOD Single : A 69 SER OG : rot -20:sc= 0.21 USER MOD Single : A 77 THR OG1 : rot 164:sc= 1.3 USER MOD Single : A 78 MET CE :methyl 166:sc= 0 (180deg=-0.179) USER MOD Single : A 82 THR OG1 : rot 83:sc= 1.19 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 85:sc= 0.901 USER MOD Single : A 93 ASN : amide:sc= 0.89 K(o=0.89,f=-0.01) USER MOD Single : A 116 MET CE :methyl 162:sc= -3.76 (180deg=-6.38!) USER MOD Single : A 125 THR OG1 : rot 102:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 64 N LEU A 8 -7.956 -7.831 -2.234 1.00 14.33 N ATOM 65 CA LEU A 8 -8.466 -9.192 -2.112 1.00 34.02 C ATOM 66 C LEU A 8 -7.361 -10.151 -1.683 1.00 63.42 C ATOM 67 O LEU A 8 -7.556 -10.985 -0.799 1.00 34.50 O ATOM 68 CB LEU A 8 -9.070 -9.652 -3.440 1.00 32.32 C ATOM 69 CG LEU A 8 -10.048 -10.825 -3.362 1.00 15.13 C ATOM 70 CD1 LEU A 8 -9.313 -12.111 -3.020 1.00 34.55 C ATOM 71 CD2 LEU A 8 -11.139 -10.543 -2.338 1.00 45.20 C ATOM 0 HA LEU A 8 -9.242 -9.196 -1.346 1.00 34.02 H new ATOM 0 HB2 LEU A 8 -9.585 -8.806 -3.895 1.00 32.32 H new ATOM 0 HB3 LEU A 8 -8.256 -9.928 -4.110 1.00 32.32 H new ATOM 0 HG LEU A 8 -10.517 -10.948 -4.338 1.00 15.13 H new ATOM 0 HD11 LEU A 8 -10.025 -12.935 -2.969 1.00 34.55 H new ATOM 0 HD12 LEU A 8 -8.570 -12.321 -3.789 1.00 34.55 H new ATOM 0 HD13 LEU A 8 -8.816 -12.001 -2.056 1.00 34.55 H new ATOM 0 HD21 LEU A 8 -11.826 -11.388 -2.296 1.00 45.20 H new ATOM 0 HD22 LEU A 8 -10.688 -10.393 -1.357 1.00 45.20 H new ATOM 0 HD23 LEU A 8 -11.686 -9.645 -2.627 1.00 45.20 H new ATOM 83 N PHE A 9 -6.198 -10.026 -2.314 1.00 50.14 N ATOM 84 CA PHE A 9 -5.060 -10.881 -1.998 1.00 10.03 C ATOM 85 C PHE A 9 -4.776 -10.875 -0.498 1.00 70.34 C ATOM 86 O PHE A 9 -4.322 -11.873 0.062 1.00 5.22 O ATOM 87 CB PHE A 9 -3.819 -10.420 -2.765 1.00 12.40 C ATOM 88 CG PHE A 9 -4.065 -10.208 -4.232 1.00 34.45 C ATOM 89 CD1 PHE A 9 -4.816 -11.117 -4.959 1.00 72.44 C ATOM 90 CD2 PHE A 9 -3.546 -9.101 -4.882 1.00 65.23 C ATOM 91 CE1 PHE A 9 -5.045 -10.926 -6.309 1.00 40.11 C ATOM 92 CE2 PHE A 9 -3.771 -8.904 -6.232 1.00 34.25 C ATOM 93 CZ PHE A 9 -4.521 -9.818 -6.946 1.00 61.30 C ATOM 0 H PHE A 9 -6.019 -9.340 -3.048 1.00 50.14 H new ATOM 0 HA PHE A 9 -5.307 -11.899 -2.300 1.00 10.03 H new ATOM 0 HB2 PHE A 9 -3.456 -9.490 -2.328 1.00 12.40 H new ATOM 0 HB3 PHE A 9 -3.029 -11.160 -2.641 1.00 12.40 H new ATOM 0 HD1 PHE A 9 -5.227 -11.985 -4.465 1.00 72.44 H new ATOM 0 HD2 PHE A 9 -2.959 -8.383 -4.328 1.00 65.23 H new ATOM 0 HE1 PHE A 9 -5.633 -11.642 -6.865 1.00 40.11 H new ATOM 0 HE2 PHE A 9 -3.361 -8.036 -6.728 1.00 34.25 H new ATOM 0 HZ PHE A 9 -4.697 -9.667 -8.001 1.00 61.30 H new ATOM 103 N TYR A 10 -5.047 -9.745 0.144 1.00 3.23 N ATOM 104 CA TYR A 10 -4.818 -9.607 1.578 1.00 60.02 C ATOM 105 C TYR A 10 -5.925 -10.291 2.374 1.00 22.13 C ATOM 106 O TYR A 10 -5.694 -10.801 3.471 1.00 4.02 O ATOM 107 CB TYR A 10 -4.736 -8.129 1.963 1.00 53.13 C ATOM 108 CG TYR A 10 -3.529 -7.789 2.808 1.00 75.12 C ATOM 109 CD1 TYR A 10 -2.244 -7.884 2.289 1.00 32.11 C ATOM 110 CD2 TYR A 10 -3.675 -7.372 4.125 1.00 0.13 C ATOM 111 CE1 TYR A 10 -1.139 -7.575 3.058 1.00 21.40 C ATOM 112 CE2 TYR A 10 -2.575 -7.060 4.901 1.00 14.42 C ATOM 113 CZ TYR A 10 -1.310 -7.163 4.363 1.00 24.43 C ATOM 114 OH TYR A 10 -0.211 -6.854 5.132 1.00 12.41 O ATOM 0 H TYR A 10 -5.425 -8.911 -0.305 1.00 3.23 H new ATOM 0 HA TYR A 10 -3.871 -10.091 1.817 1.00 60.02 H new ATOM 0 HB2 TYR A 10 -4.715 -7.526 1.055 1.00 53.13 H new ATOM 0 HB3 TYR A 10 -5.639 -7.853 2.507 1.00 53.13 H new ATOM 0 HD1 TYR A 10 -2.107 -8.205 1.267 1.00 32.11 H new ATOM 0 HD2 TYR A 10 -4.665 -7.290 4.549 1.00 0.13 H new ATOM 0 HE1 TYR A 10 -0.147 -7.656 2.640 1.00 21.40 H new ATOM 0 HE2 TYR A 10 -2.706 -6.737 5.923 1.00 14.42 H new ATOM 0 HH TYR A 10 0.604 -6.981 4.603 1.00 12.41 H new ATOM 124 N THR A 11 -7.130 -10.299 1.814 1.00 53.14 N ATOM 125 CA THR A 11 -8.274 -10.919 2.470 1.00 74.14 C ATOM 126 C THR A 11 -8.140 -12.437 2.491 1.00 64.41 C ATOM 127 O THR A 11 -8.610 -13.099 3.417 1.00 3.42 O ATOM 128 CB THR A 11 -9.595 -10.542 1.772 1.00 63.14 C ATOM 129 OG1 THR A 11 -10.099 -9.313 2.307 1.00 24.43 O ATOM 130 CG2 THR A 11 -10.632 -11.641 1.946 1.00 12.24 C ATOM 0 H THR A 11 -7.339 -9.883 0.907 1.00 53.14 H new ATOM 0 HA THR A 11 -8.292 -10.544 3.493 1.00 74.14 H new ATOM 0 HB THR A 11 -9.395 -10.419 0.708 1.00 63.14 H new ATOM 0 HG1 THR A 11 -10.604 -8.838 1.615 1.00 24.43 H new ATOM 0 HG21 THR A 11 -11.556 -11.352 1.445 1.00 12.24 H new ATOM 0 HG22 THR A 11 -10.257 -12.567 1.510 1.00 12.24 H new ATOM 0 HG23 THR A 11 -10.827 -11.792 3.008 1.00 12.24 H new ATOM 138 N ILE A 12 -7.495 -12.984 1.466 1.00 43.23 N ATOM 139 CA ILE A 12 -7.297 -14.425 1.369 1.00 42.43 C ATOM 140 C ILE A 12 -6.188 -14.892 2.305 1.00 1.55 C ATOM 141 O ILE A 12 -6.246 -15.992 2.853 1.00 15.51 O ATOM 142 CB ILE A 12 -6.950 -14.850 -0.071 1.00 15.35 C ATOM 143 CG1 ILE A 12 -7.979 -14.286 -1.053 1.00 63.04 C ATOM 144 CG2 ILE A 12 -6.887 -16.366 -0.174 1.00 64.21 C ATOM 145 CD1 ILE A 12 -9.353 -14.902 -0.910 1.00 1.23 C ATOM 0 H ILE A 12 -7.101 -12.451 0.691 1.00 43.23 H new ATOM 0 HA ILE A 12 -8.237 -14.893 1.661 1.00 42.43 H new ATOM 0 HB ILE A 12 -5.971 -14.447 -0.328 1.00 15.35 H new ATOM 0 HG12 ILE A 12 -8.056 -13.209 -0.907 1.00 63.04 H new ATOM 0 HG13 ILE A 12 -7.623 -14.445 -2.071 1.00 63.04 H new ATOM 0 HG21 ILE A 12 -6.641 -16.651 -1.197 1.00 64.21 H new ATOM 0 HG22 ILE A 12 -6.121 -16.745 0.503 1.00 64.21 H new ATOM 0 HG23 ILE A 12 -7.854 -16.790 0.098 1.00 64.21 H new ATOM 0 HD11 ILE A 12 -10.030 -14.454 -1.638 1.00 1.23 H new ATOM 0 HD12 ILE A 12 -9.290 -15.976 -1.086 1.00 1.23 H new ATOM 0 HD13 ILE A 12 -9.730 -14.720 0.096 1.00 1.23 H new ATOM 157 N ASN A 13 -5.178 -14.046 2.486 1.00 33.20 N ATOM 158 CA ASN A 13 -4.056 -14.372 3.358 1.00 4.31 C ATOM 159 C ASN A 13 -4.397 -14.081 4.816 1.00 35.24 C ATOM 160 O ASN A 13 -3.749 -14.592 5.731 1.00 14.41 O ATOM 161 CB ASN A 13 -2.815 -13.577 2.945 1.00 11.24 C ATOM 162 CG ASN A 13 -1.587 -14.455 2.800 1.00 35.22 C ATOM 163 OD1 ASN A 13 -1.147 -14.747 1.688 1.00 33.11 O ATOM 164 ND2 ASN A 13 -1.029 -14.881 3.927 1.00 64.51 N ATOM 0 H ASN A 13 -5.114 -13.131 2.041 1.00 33.20 H new ATOM 0 HA ASN A 13 -3.848 -15.437 3.258 1.00 4.31 H new ATOM 0 HB2 ASN A 13 -3.010 -13.070 2.000 1.00 11.24 H new ATOM 0 HB3 ASN A 13 -2.619 -12.803 3.687 1.00 11.24 H new ATOM 0 HD21 ASN A 13 -0.201 -15.476 3.893 1.00 64.51 H new ATOM 0 HD22 ASN A 13 -1.428 -14.614 4.827 1.00 64.51 H new ATOM 171 N LEU A 14 -5.419 -13.259 5.026 1.00 15.10 N ATOM 172 CA LEU A 14 -5.849 -12.900 6.373 1.00 30.33 C ATOM 173 C LEU A 14 -6.942 -13.843 6.865 1.00 35.12 C ATOM 174 O LEU A 14 -7.075 -14.082 8.066 1.00 73.42 O ATOM 175 CB LEU A 14 -6.354 -11.457 6.402 1.00 41.45 C ATOM 176 CG LEU A 14 -5.302 -10.383 6.683 1.00 20.11 C ATOM 177 CD1 LEU A 14 -3.961 -10.780 6.086 1.00 22.42 C ATOM 178 CD2 LEU A 14 -5.754 -9.037 6.136 1.00 62.15 C ATOM 0 H LEU A 14 -5.966 -12.828 4.280 1.00 15.10 H new ATOM 0 HA LEU A 14 -4.990 -12.991 7.038 1.00 30.33 H new ATOM 0 HB2 LEU A 14 -6.821 -11.237 5.442 1.00 41.45 H new ATOM 0 HB3 LEU A 14 -7.133 -11.381 7.160 1.00 41.45 H new ATOM 0 HG LEU A 14 -5.183 -10.292 7.763 1.00 20.11 H new ATOM 0 HD11 LEU A 14 -3.225 -10.004 6.296 1.00 22.42 H new ATOM 0 HD12 LEU A 14 -3.631 -11.721 6.526 1.00 22.42 H new ATOM 0 HD13 LEU A 14 -4.064 -10.900 5.008 1.00 22.42 H new ATOM 0 HD21 LEU A 14 -4.993 -8.285 6.345 1.00 62.15 H new ATOM 0 HD22 LEU A 14 -5.902 -9.113 5.059 1.00 62.15 H new ATOM 0 HD23 LEU A 14 -6.691 -8.747 6.612 1.00 62.15 H new ATOM 190 N ILE A 15 -7.721 -14.377 5.930 1.00 12.32 N ATOM 191 CA ILE A 15 -8.801 -15.296 6.269 1.00 45.13 C ATOM 192 C ILE A 15 -8.259 -16.685 6.590 1.00 53.13 C ATOM 193 O ILE A 15 -8.805 -17.394 7.436 1.00 62.34 O ATOM 194 CB ILE A 15 -9.824 -15.408 5.124 1.00 74.13 C ATOM 195 CG1 ILE A 15 -11.014 -16.268 5.556 1.00 23.13 C ATOM 196 CG2 ILE A 15 -9.167 -15.990 3.881 1.00 54.21 C ATOM 197 CD1 ILE A 15 -11.774 -15.700 6.734 1.00 5.24 C ATOM 0 H ILE A 15 -7.624 -14.189 4.932 1.00 12.32 H new ATOM 0 HA ILE A 15 -9.298 -14.890 7.150 1.00 45.13 H new ATOM 0 HB ILE A 15 -10.189 -14.409 4.884 1.00 74.13 H new ATOM 0 HG12 ILE A 15 -11.696 -16.379 4.713 1.00 23.13 H new ATOM 0 HG13 ILE A 15 -10.657 -17.266 5.811 1.00 23.13 H new ATOM 0 HG21 ILE A 15 -9.903 -16.063 3.081 1.00 54.21 H new ATOM 0 HG22 ILE A 15 -8.350 -15.342 3.564 1.00 54.21 H new ATOM 0 HG23 ILE A 15 -8.777 -16.982 4.107 1.00 54.21 H new ATOM 0 HD11 ILE A 15 -12.603 -16.361 6.985 1.00 5.24 H new ATOM 0 HD12 ILE A 15 -11.106 -15.614 7.591 1.00 5.24 H new ATOM 0 HD13 ILE A 15 -12.161 -14.714 6.476 1.00 5.24 H new ATOM 209 N ILE A 16 -7.183 -17.066 5.910 1.00 1.12 N ATOM 210 CA ILE A 16 -6.566 -18.369 6.125 1.00 10.13 C ATOM 211 C ILE A 16 -6.283 -18.606 7.605 1.00 43.51 C ATOM 212 O ILE A 16 -6.752 -19.572 8.205 1.00 32.35 O ATOM 213 CB ILE A 16 -5.252 -18.507 5.334 1.00 20.20 C ATOM 214 CG1 ILE A 16 -5.529 -19.063 3.936 1.00 73.22 C ATOM 215 CG2 ILE A 16 -4.275 -19.402 6.082 1.00 71.32 C ATOM 216 CD1 ILE A 16 -4.471 -18.697 2.919 1.00 2.01 C ATOM 0 H ILE A 16 -6.721 -16.491 5.206 1.00 1.12 H new ATOM 0 HA ILE A 16 -7.275 -19.116 5.769 1.00 10.13 H new ATOM 0 HB ILE A 16 -4.803 -17.519 5.229 1.00 20.20 H new ATOM 0 HG12 ILE A 16 -5.605 -20.149 3.994 1.00 73.22 H new ATOM 0 HG13 ILE A 16 -6.495 -18.694 3.592 1.00 73.22 H new ATOM 0 HG21 ILE A 16 -3.351 -19.490 5.510 1.00 71.32 H new ATOM 0 HG22 ILE A 16 -4.058 -18.968 7.058 1.00 71.32 H new ATOM 0 HG23 ILE A 16 -4.715 -20.390 6.214 1.00 71.32 H new ATOM 0 HD11 ILE A 16 -4.733 -19.125 1.951 1.00 2.01 H new ATOM 0 HD12 ILE A 16 -4.410 -17.612 2.832 1.00 2.01 H new ATOM 0 HD13 ILE A 16 -3.506 -19.090 3.240 1.00 2.01 H new ATOM 228 N PRO A 17 -5.497 -17.701 8.209 1.00 75.31 N ATOM 229 CA PRO A 17 -5.136 -17.789 9.627 1.00 44.52 C ATOM 230 C PRO A 17 -6.322 -17.517 10.546 1.00 41.14 C ATOM 231 O PRO A 17 -6.375 -18.017 11.670 1.00 13.40 O ATOM 232 CB PRO A 17 -4.073 -16.699 9.789 1.00 1.13 C ATOM 233 CG PRO A 17 -4.366 -15.719 8.706 1.00 61.43 C ATOM 234 CD PRO A 17 -4.903 -16.524 7.554 1.00 1.14 C ATOM 0 HA PRO A 17 -4.790 -18.786 9.899 1.00 44.52 H new ATOM 0 HB2 PRO A 17 -4.132 -16.232 10.772 1.00 1.13 H new ATOM 0 HB3 PRO A 17 -3.068 -17.109 9.691 1.00 1.13 H new ATOM 0 HG2 PRO A 17 -5.093 -14.978 9.037 1.00 61.43 H new ATOM 0 HG3 PRO A 17 -3.466 -15.176 8.417 1.00 61.43 H new ATOM 0 HD2 PRO A 17 -5.644 -15.964 6.984 1.00 1.14 H new ATOM 0 HD3 PRO A 17 -4.113 -16.807 6.858 1.00 1.14 H new ATOM 242 N CYS A 18 -7.270 -16.724 10.060 1.00 14.44 N ATOM 243 CA CYS A 18 -8.457 -16.385 10.839 1.00 64.51 C ATOM 244 C CYS A 18 -9.132 -17.644 11.375 1.00 1.40 C ATOM 245 O CYS A 18 -9.590 -17.676 12.518 1.00 72.31 O ATOM 246 CB CYS A 18 -9.443 -15.587 9.984 1.00 25.55 C ATOM 247 SG CYS A 18 -10.576 -14.551 10.939 1.00 61.22 S ATOM 0 H CYS A 18 -7.241 -16.304 9.131 1.00 14.44 H new ATOM 0 HA CYS A 18 -8.144 -15.773 11.685 1.00 64.51 H new ATOM 0 HB2 CYS A 18 -8.882 -14.955 9.296 1.00 25.55 H new ATOM 0 HB3 CYS A 18 -10.025 -16.280 9.377 1.00 25.55 H new ATOM 0 HG CYS A 18 -11.369 -13.914 10.129 1.00 61.22 H new ATOM 253 N LEU A 19 -9.192 -18.677 10.542 1.00 24.05 N ATOM 254 CA LEU A 19 -9.813 -19.938 10.932 1.00 61.22 C ATOM 255 C LEU A 19 -8.849 -20.789 11.753 1.00 73.34 C ATOM 256 O LEU A 19 -9.234 -21.386 12.759 1.00 1.35 O ATOM 257 CB LEU A 19 -10.264 -20.711 9.691 1.00 34.35 C ATOM 258 CG LEU A 19 -10.692 -19.865 8.492 1.00 44.03 C ATOM 259 CD1 LEU A 19 -11.218 -20.751 7.374 1.00 63.35 C ATOM 260 CD2 LEU A 19 -11.742 -18.845 8.906 1.00 75.14 C ATOM 0 H LEU A 19 -8.819 -18.666 9.593 1.00 24.05 H new ATOM 0 HA LEU A 19 -10.683 -19.712 11.548 1.00 61.22 H new ATOM 0 HB2 LEU A 19 -9.449 -21.363 9.378 1.00 34.35 H new ATOM 0 HB3 LEU A 19 -11.097 -21.355 9.972 1.00 34.35 H new ATOM 0 HG LEU A 19 -9.819 -19.327 8.121 1.00 44.03 H new ATOM 0 HD11 LEU A 19 -11.518 -20.131 6.529 1.00 63.35 H new ATOM 0 HD12 LEU A 19 -10.436 -21.441 7.058 1.00 63.35 H new ATOM 0 HD13 LEU A 19 -12.078 -21.317 7.732 1.00 63.35 H new ATOM 0 HD21 LEU A 19 -12.035 -18.252 8.040 1.00 75.14 H new ATOM 0 HD22 LEU A 19 -12.615 -19.362 9.303 1.00 75.14 H new ATOM 0 HD23 LEU A 19 -11.329 -18.189 9.672 1.00 75.14 H new ATOM 272 N LEU A 20 -7.595 -20.840 11.318 1.00 52.15 N ATOM 273 CA LEU A 20 -6.575 -21.616 12.013 1.00 24.23 C ATOM 274 C LEU A 20 -6.536 -21.260 13.496 1.00 41.11 C ATOM 275 O LEU A 20 -6.486 -22.141 14.355 1.00 40.22 O ATOM 276 CB LEU A 20 -5.202 -21.373 11.383 1.00 55.15 C ATOM 277 CG LEU A 20 -4.709 -22.448 10.413 1.00 11.24 C ATOM 278 CD1 LEU A 20 -3.736 -21.853 9.407 1.00 73.21 C ATOM 279 CD2 LEU A 20 -4.058 -23.594 11.174 1.00 11.43 C ATOM 0 H LEU A 20 -7.260 -20.353 10.487 1.00 52.15 H new ATOM 0 HA LEU A 20 -6.830 -22.671 11.918 1.00 24.23 H new ATOM 0 HB2 LEU A 20 -5.231 -20.420 10.854 1.00 55.15 H new ATOM 0 HB3 LEU A 20 -4.470 -21.271 12.184 1.00 55.15 H new ATOM 0 HG LEU A 20 -5.568 -22.841 9.868 1.00 11.24 H new ATOM 0 HD11 LEU A 20 -3.396 -22.632 8.725 1.00 73.21 H new ATOM 0 HD12 LEU A 20 -4.234 -21.067 8.840 1.00 73.21 H new ATOM 0 HD13 LEU A 20 -2.879 -21.433 9.934 1.00 73.21 H new ATOM 0 HD21 LEU A 20 -3.713 -24.350 10.468 1.00 11.43 H new ATOM 0 HD22 LEU A 20 -3.210 -23.216 11.745 1.00 11.43 H new ATOM 0 HD23 LEU A 20 -4.784 -24.038 11.855 1.00 11.43 H new ATOM 291 N ILE A 21 -6.561 -19.964 13.788 1.00 33.04 N ATOM 292 CA ILE A 21 -6.533 -19.492 15.167 1.00 5.02 C ATOM 293 C ILE A 21 -7.867 -19.743 15.862 1.00 4.40 C ATOM 294 O ILE A 21 -7.911 -20.021 17.060 1.00 34.31 O ATOM 295 CB ILE A 21 -6.202 -17.990 15.241 1.00 12.50 C ATOM 296 CG1 ILE A 21 -7.264 -17.175 14.500 1.00 14.43 C ATOM 297 CG2 ILE A 21 -4.821 -17.722 14.661 1.00 15.41 C ATOM 298 CD1 ILE A 21 -6.785 -15.806 14.070 1.00 2.02 C ATOM 0 H ILE A 21 -6.601 -19.223 13.089 1.00 33.04 H new ATOM 0 HA ILE A 21 -5.750 -20.054 15.677 1.00 5.02 H new ATOM 0 HB ILE A 21 -6.200 -17.685 16.287 1.00 12.50 H new ATOM 0 HG12 ILE A 21 -7.588 -17.731 13.620 1.00 14.43 H new ATOM 0 HG13 ILE A 21 -8.136 -17.060 15.143 1.00 14.43 H new ATOM 0 HG21 ILE A 21 -4.602 -16.656 14.721 1.00 15.41 H new ATOM 0 HG22 ILE A 21 -4.074 -18.278 15.228 1.00 15.41 H new ATOM 0 HG23 ILE A 21 -4.796 -18.040 13.619 1.00 15.41 H new ATOM 0 HD11 ILE A 21 -7.590 -15.285 13.551 1.00 2.02 H new ATOM 0 HD12 ILE A 21 -6.488 -15.232 14.948 1.00 2.02 H new ATOM 0 HD13 ILE A 21 -5.931 -15.913 13.401 1.00 2.02 H new ATOM 310 N SER A 22 -8.952 -19.643 15.101 1.00 2.01 N ATOM 311 CA SER A 22 -10.288 -19.857 15.644 1.00 53.12 C ATOM 312 C SER A 22 -10.473 -21.308 16.076 1.00 31.32 C ATOM 313 O SER A 22 -10.697 -21.593 17.253 1.00 23.14 O ATOM 314 CB SER A 22 -11.349 -19.483 14.607 1.00 42.14 C ATOM 315 OG SER A 22 -11.735 -18.126 14.738 1.00 0.15 O ATOM 0 H SER A 22 -8.932 -19.415 14.107 1.00 2.01 H new ATOM 0 HA SER A 22 -10.404 -19.218 16.519 1.00 53.12 H new ATOM 0 HB2 SER A 22 -10.959 -19.658 13.604 1.00 42.14 H new ATOM 0 HB3 SER A 22 -12.221 -20.126 14.727 1.00 42.14 H new ATOM 0 HG SER A 22 -12.290 -17.868 13.973 1.00 0.15 H new ATOM 321 N CYS A 23 -10.378 -22.221 15.116 1.00 31.42 N ATOM 322 CA CYS A 23 -10.535 -23.644 15.396 1.00 34.32 C ATOM 323 C CYS A 23 -9.516 -24.111 16.430 1.00 65.13 C ATOM 324 O CYS A 23 -9.733 -25.101 17.129 1.00 32.25 O ATOM 325 CB CYS A 23 -10.385 -24.458 14.110 1.00 50.00 C ATOM 326 SG CYS A 23 -11.826 -25.472 13.705 1.00 33.14 S ATOM 0 H CYS A 23 -10.193 -22.002 14.137 1.00 31.42 H new ATOM 0 HA CYS A 23 -11.534 -23.801 15.802 1.00 34.32 H new ATOM 0 HB2 CYS A 23 -10.190 -23.776 13.282 1.00 50.00 H new ATOM 0 HB3 CYS A 23 -9.513 -25.105 14.202 1.00 50.00 H new ATOM 0 HG CYS A 23 -11.604 -26.120 12.600 1.00 33.14 H new ATOM 332 N LEU A 24 -8.401 -23.393 16.520 1.00 74.33 N ATOM 333 CA LEU A 24 -7.346 -23.734 17.467 1.00 22.40 C ATOM 334 C LEU A 24 -7.876 -23.730 18.897 1.00 24.54 C ATOM 335 O LEU A 24 -7.806 -24.739 19.600 1.00 24.24 O ATOM 336 CB LEU A 24 -6.181 -22.751 17.340 1.00 55.54 C ATOM 337 CG LEU A 24 -4.858 -23.337 16.847 1.00 50.10 C ATOM 338 CD1 LEU A 24 -4.003 -22.257 16.203 1.00 63.14 C ATOM 339 CD2 LEU A 24 -4.109 -24.000 17.994 1.00 43.24 C ATOM 0 H LEU A 24 -8.205 -22.571 15.948 1.00 74.33 H new ATOM 0 HA LEU A 24 -6.993 -24.738 17.233 1.00 22.40 H new ATOM 0 HB2 LEU A 24 -6.478 -21.953 16.659 1.00 55.54 H new ATOM 0 HB3 LEU A 24 -6.011 -22.292 18.314 1.00 55.54 H new ATOM 0 HG LEU A 24 -5.076 -24.095 16.095 1.00 50.10 H new ATOM 0 HD11 LEU A 24 -3.065 -22.693 15.858 1.00 63.14 H new ATOM 0 HD12 LEU A 24 -4.537 -21.827 15.355 1.00 63.14 H new ATOM 0 HD13 LEU A 24 -3.793 -21.476 16.933 1.00 63.14 H new ATOM 0 HD21 LEU A 24 -3.170 -24.412 17.625 1.00 43.24 H new ATOM 0 HD22 LEU A 24 -3.902 -23.262 18.769 1.00 43.24 H new ATOM 0 HD23 LEU A 24 -4.718 -24.802 18.411 1.00 43.24 H new ATOM 351 N THR A 25 -8.408 -22.589 19.323 1.00 74.04 N ATOM 352 CA THR A 25 -8.951 -22.454 20.668 1.00 13.53 C ATOM 353 C THR A 25 -10.059 -23.471 20.919 1.00 4.44 C ATOM 354 O THR A 25 -10.162 -24.035 22.009 1.00 65.24 O ATOM 355 CB THR A 25 -9.506 -21.037 20.910 1.00 33.12 C ATOM 356 OG1 THR A 25 -8.507 -20.060 20.599 1.00 11.34 O ATOM 357 CG2 THR A 25 -9.954 -20.871 22.355 1.00 41.35 C ATOM 0 H THR A 25 -8.474 -21.744 18.755 1.00 74.04 H new ATOM 0 HA THR A 25 -8.129 -22.638 21.360 1.00 13.53 H new ATOM 0 HB THR A 25 -10.369 -20.892 20.260 1.00 33.12 H new ATOM 0 HG1 THR A 25 -8.868 -19.162 20.754 1.00 11.34 H new ATOM 0 HG21 THR A 25 -10.342 -19.863 22.502 1.00 41.35 H new ATOM 0 HG22 THR A 25 -10.735 -21.597 22.579 1.00 41.35 H new ATOM 0 HG23 THR A 25 -9.106 -21.034 23.020 1.00 41.35 H new ATOM 365 N VAL A 26 -10.886 -23.701 19.905 1.00 44.05 N ATOM 366 CA VAL A 26 -11.985 -24.652 20.015 1.00 60.31 C ATOM 367 C VAL A 26 -11.465 -26.075 20.184 1.00 32.45 C ATOM 368 O VAL A 26 -12.016 -26.861 20.957 1.00 61.54 O ATOM 369 CB VAL A 26 -12.902 -24.596 18.779 1.00 60.33 C ATOM 370 CG1 VAL A 26 -14.173 -25.396 19.020 1.00 15.51 C ATOM 371 CG2 VAL A 26 -13.229 -23.154 18.423 1.00 4.31 C ATOM 0 H VAL A 26 -10.816 -23.241 18.997 1.00 44.05 H new ATOM 0 HA VAL A 26 -12.560 -24.371 20.897 1.00 60.31 H new ATOM 0 HB VAL A 26 -12.374 -25.043 17.936 1.00 60.33 H new ATOM 0 HG11 VAL A 26 -14.808 -25.345 18.136 1.00 15.51 H new ATOM 0 HG12 VAL A 26 -13.916 -26.436 19.222 1.00 15.51 H new ATOM 0 HG13 VAL A 26 -14.707 -24.982 19.875 1.00 15.51 H new ATOM 0 HG21 VAL A 26 -13.878 -23.134 17.547 1.00 4.31 H new ATOM 0 HG22 VAL A 26 -13.737 -22.678 19.262 1.00 4.31 H new ATOM 0 HG23 VAL A 26 -12.307 -22.615 18.204 1.00 4.31 H new ATOM 381 N LEU A 27 -10.401 -26.401 19.459 1.00 74.13 N ATOM 382 CA LEU A 27 -9.805 -27.731 19.529 1.00 54.24 C ATOM 383 C LEU A 27 -9.510 -28.120 20.974 1.00 52.04 C ATOM 384 O LEU A 27 -9.921 -29.184 21.437 1.00 11.35 O ATOM 385 CB LEU A 27 -8.519 -27.779 18.703 1.00 43.44 C ATOM 386 CG LEU A 27 -8.213 -29.109 18.013 1.00 2.41 C ATOM 387 CD1 LEU A 27 -8.229 -30.248 19.020 1.00 34.10 C ATOM 388 CD2 LEU A 27 -9.209 -29.370 16.893 1.00 42.04 C ATOM 0 H LEU A 27 -9.933 -25.763 18.816 1.00 74.13 H new ATOM 0 HA LEU A 27 -10.520 -28.445 19.119 1.00 54.24 H new ATOM 0 HB2 LEU A 27 -8.571 -27.001 17.941 1.00 43.44 H new ATOM 0 HB3 LEU A 27 -7.682 -27.530 19.356 1.00 43.44 H new ATOM 0 HG LEU A 27 -7.215 -29.050 17.578 1.00 2.41 H new ATOM 0 HD11 LEU A 27 -8.009 -31.187 18.511 1.00 34.10 H new ATOM 0 HD12 LEU A 27 -7.476 -30.066 19.787 1.00 34.10 H new ATOM 0 HD13 LEU A 27 -9.213 -30.309 19.485 1.00 34.10 H new ATOM 0 HD21 LEU A 27 -8.976 -30.321 16.413 1.00 42.04 H new ATOM 0 HD22 LEU A 27 -10.218 -29.409 17.305 1.00 42.04 H new ATOM 0 HD23 LEU A 27 -9.148 -28.568 16.158 1.00 42.04 H new ATOM 400 N VAL A 28 -8.797 -27.250 21.682 1.00 42.15 N ATOM 401 CA VAL A 28 -8.449 -27.501 23.075 1.00 14.31 C ATOM 402 C VAL A 28 -9.694 -27.784 23.909 1.00 24.23 C ATOM 403 O VAL A 28 -9.715 -28.714 24.716 1.00 4.23 O ATOM 404 CB VAL A 28 -7.694 -26.307 23.689 1.00 52.21 C ATOM 405 CG1 VAL A 28 -7.757 -26.359 25.208 1.00 51.12 C ATOM 406 CG2 VAL A 28 -6.251 -26.285 23.207 1.00 15.12 C ATOM 0 H VAL A 28 -8.449 -26.365 21.313 1.00 42.15 H new ATOM 0 HA VAL A 28 -7.800 -28.376 23.087 1.00 14.31 H new ATOM 0 HB VAL A 28 -8.177 -25.386 23.361 1.00 52.21 H new ATOM 0 HG11 VAL A 28 -7.218 -25.508 25.624 1.00 51.12 H new ATOM 0 HG12 VAL A 28 -8.798 -26.323 25.530 1.00 51.12 H new ATOM 0 HG13 VAL A 28 -7.300 -27.284 25.560 1.00 51.12 H new ATOM 0 HG21 VAL A 28 -5.732 -25.435 23.650 1.00 15.12 H new ATOM 0 HG22 VAL A 28 -5.754 -27.209 23.504 1.00 15.12 H new ATOM 0 HG23 VAL A 28 -6.232 -26.195 22.121 1.00 15.12 H new ATOM 416 N PHE A 29 -10.730 -26.977 23.709 1.00 50.00 N ATOM 417 CA PHE A 29 -11.979 -27.140 24.443 1.00 33.42 C ATOM 418 C PHE A 29 -12.765 -28.340 23.920 1.00 4.33 C ATOM 419 O PHE A 29 -13.752 -28.760 24.524 1.00 23.32 O ATOM 420 CB PHE A 29 -12.829 -25.873 24.334 1.00 54.23 C ATOM 421 CG PHE A 29 -13.333 -25.373 25.657 1.00 11.33 C ATOM 422 CD1 PHE A 29 -12.454 -25.123 26.699 1.00 41.14 C ATOM 423 CD2 PHE A 29 -14.686 -25.153 25.860 1.00 10.14 C ATOM 424 CE1 PHE A 29 -12.914 -24.662 27.918 1.00 71.21 C ATOM 425 CE2 PHE A 29 -15.152 -24.692 27.077 1.00 1.02 C ATOM 426 CZ PHE A 29 -14.265 -24.447 28.108 1.00 71.54 C ATOM 0 H PHE A 29 -10.729 -26.203 23.044 1.00 50.00 H new ATOM 0 HA PHE A 29 -11.735 -27.316 25.491 1.00 33.42 H new ATOM 0 HB2 PHE A 29 -12.239 -25.089 23.859 1.00 54.23 H new ATOM 0 HB3 PHE A 29 -13.680 -26.071 23.682 1.00 54.23 H new ATOM 0 HD1 PHE A 29 -11.397 -25.290 26.557 1.00 41.14 H new ATOM 0 HD2 PHE A 29 -15.384 -25.344 25.058 1.00 10.14 H new ATOM 0 HE1 PHE A 29 -12.218 -24.470 28.721 1.00 71.21 H new ATOM 0 HE2 PHE A 29 -16.209 -24.523 27.222 1.00 1.02 H new ATOM 0 HZ PHE A 29 -14.627 -24.088 29.060 1.00 71.54 H new ATOM 436 N TYR A 30 -12.319 -28.885 22.794 1.00 54.11 N ATOM 437 CA TYR A 30 -12.981 -30.034 22.187 1.00 13.40 C ATOM 438 C TYR A 30 -12.237 -31.325 22.512 1.00 34.40 C ATOM 439 O TYR A 30 -12.763 -32.423 22.322 1.00 21.21 O ATOM 440 CB TYR A 30 -13.074 -29.853 20.671 1.00 71.11 C ATOM 441 CG TYR A 30 -13.907 -30.912 19.985 1.00 63.42 C ATOM 442 CD1 TYR A 30 -15.289 -30.937 20.126 1.00 42.20 C ATOM 443 CD2 TYR A 30 -13.312 -31.889 19.196 1.00 25.45 C ATOM 444 CE1 TYR A 30 -16.054 -31.903 19.502 1.00 63.14 C ATOM 445 CE2 TYR A 30 -14.069 -32.859 18.567 1.00 5.42 C ATOM 446 CZ TYR A 30 -15.439 -32.861 18.723 1.00 30.40 C ATOM 447 OH TYR A 30 -16.196 -33.826 18.099 1.00 35.00 O ATOM 0 H TYR A 30 -11.502 -28.550 22.283 1.00 54.11 H new ATOM 0 HA TYR A 30 -13.987 -30.102 22.600 1.00 13.40 H new ATOM 0 HB2 TYR A 30 -13.499 -28.873 20.456 1.00 71.11 H new ATOM 0 HB3 TYR A 30 -12.069 -29.864 20.250 1.00 71.11 H new ATOM 0 HD1 TYR A 30 -15.774 -30.188 20.734 1.00 42.20 H new ATOM 0 HD2 TYR A 30 -12.239 -31.890 19.072 1.00 25.45 H new ATOM 0 HE1 TYR A 30 -17.127 -31.908 19.623 1.00 63.14 H new ATOM 0 HE2 TYR A 30 -13.591 -33.611 17.957 1.00 5.42 H new ATOM 0 HH TYR A 30 -15.609 -34.423 17.589 1.00 35.00 H new ATOM 457 N LEU A 31 -11.011 -31.186 23.004 1.00 72.44 N ATOM 458 CA LEU A 31 -10.193 -32.341 23.357 1.00 60.43 C ATOM 459 C LEU A 31 -9.812 -32.308 24.833 1.00 4.42 C ATOM 460 O LEU A 31 -8.654 -32.096 25.196 1.00 32.50 O ATOM 461 CB LEU A 31 -8.931 -32.380 22.493 1.00 30.41 C ATOM 462 CG LEU A 31 -8.156 -33.698 22.497 1.00 65.21 C ATOM 463 CD1 LEU A 31 -8.826 -34.714 21.585 1.00 25.53 C ATOM 464 CD2 LEU A 31 -6.712 -33.469 22.073 1.00 11.21 C ATOM 0 H LEU A 31 -10.561 -30.285 23.168 1.00 72.44 H new ATOM 0 HA LEU A 31 -10.780 -33.241 23.173 1.00 60.43 H new ATOM 0 HB2 LEU A 31 -9.211 -32.149 21.465 1.00 30.41 H new ATOM 0 HB3 LEU A 31 -8.262 -31.587 22.827 1.00 30.41 H new ATOM 0 HG LEU A 31 -8.157 -34.095 23.512 1.00 65.21 H new ATOM 0 HD11 LEU A 31 -8.260 -35.646 21.601 1.00 25.53 H new ATOM 0 HD12 LEU A 31 -9.842 -34.901 21.933 1.00 25.53 H new ATOM 0 HD13 LEU A 31 -8.856 -34.325 20.567 1.00 25.53 H new ATOM 0 HD21 LEU A 31 -6.175 -34.418 22.082 1.00 11.21 H new ATOM 0 HD22 LEU A 31 -6.690 -33.049 21.067 1.00 11.21 H new ATOM 0 HD23 LEU A 31 -6.235 -32.776 22.766 1.00 11.21 H new ATOM 476 N PRO A 32 -10.807 -32.523 25.707 1.00 44.53 N ATOM 477 CA PRO A 32 -10.599 -32.524 27.158 1.00 73.41 C ATOM 478 C PRO A 32 -9.795 -33.732 27.627 1.00 0.11 C ATOM 479 O PRO A 32 -10.176 -34.877 27.383 1.00 51.44 O ATOM 480 CB PRO A 32 -12.022 -32.579 27.719 1.00 13.24 C ATOM 481 CG PRO A 32 -12.830 -33.219 26.643 1.00 1.53 C ATOM 482 CD PRO A 32 -12.210 -32.781 25.345 1.00 54.11 C ATOM 0 HA PRO A 32 -10.028 -31.656 27.489 1.00 73.41 H new ATOM 0 HB2 PRO A 32 -12.062 -33.158 28.641 1.00 13.24 H new ATOM 0 HB3 PRO A 32 -12.394 -31.582 27.953 1.00 13.24 H new ATOM 0 HG2 PRO A 32 -12.814 -34.305 26.736 1.00 1.53 H new ATOM 0 HG3 PRO A 32 -13.873 -32.909 26.702 1.00 1.53 H new ATOM 0 HD2 PRO A 32 -12.292 -33.553 24.580 1.00 54.11 H new ATOM 0 HD3 PRO A 32 -12.694 -31.888 24.950 1.00 54.11 H new ATOM 490 N SER A 33 -8.681 -33.469 28.302 1.00 3.14 N ATOM 491 CA SER A 33 -7.821 -34.535 28.803 1.00 2.22 C ATOM 492 C SER A 33 -6.833 -33.997 29.833 1.00 4.45 C ATOM 493 O SER A 33 -6.714 -34.534 30.934 1.00 2.21 O ATOM 494 CB SER A 33 -7.063 -35.193 27.648 1.00 12.33 C ATOM 495 OG SER A 33 -6.537 -34.219 26.763 1.00 33.11 O ATOM 0 H SER A 33 -8.353 -32.527 28.515 1.00 3.14 H new ATOM 0 HA SER A 33 -8.452 -35.281 29.286 1.00 2.22 H new ATOM 0 HB2 SER A 33 -6.253 -35.806 28.043 1.00 12.33 H new ATOM 0 HB3 SER A 33 -7.731 -35.860 27.104 1.00 12.33 H new ATOM 0 HG SER A 33 -6.056 -34.665 26.035 1.00 33.11 H new ATOM 501 N GLU A 34 -6.126 -32.932 29.467 1.00 41.03 N ATOM 502 CA GLU A 34 -5.147 -32.321 30.359 1.00 73.23 C ATOM 503 C GLU A 34 -5.304 -30.803 30.381 1.00 60.43 C ATOM 504 O GLU A 34 -5.627 -30.187 29.364 1.00 34.45 O ATOM 505 CB GLU A 34 -3.728 -32.692 29.925 1.00 64.10 C ATOM 506 CG GLU A 34 -3.131 -33.845 30.716 1.00 52.55 C ATOM 507 CD GLU A 34 -3.264 -35.174 29.999 1.00 71.22 C ATOM 508 OE1 GLU A 34 -4.374 -35.746 30.009 1.00 20.35 O ATOM 509 OE2 GLU A 34 -2.257 -35.642 29.427 1.00 74.32 O ATOM 0 H GLU A 34 -6.213 -32.475 28.559 1.00 41.03 H new ATOM 0 HA GLU A 34 -5.323 -32.702 31.365 1.00 73.23 H new ATOM 0 HB2 GLU A 34 -3.738 -32.955 28.867 1.00 64.10 H new ATOM 0 HB3 GLU A 34 -3.085 -31.818 30.031 1.00 64.10 H new ATOM 0 HG2 GLU A 34 -2.077 -33.643 30.906 1.00 52.55 H new ATOM 0 HG3 GLU A 34 -3.624 -33.909 31.686 1.00 52.55 H new ATOM 516 N CYS A 35 -5.073 -30.208 31.545 1.00 11.13 N ATOM 517 CA CYS A 35 -5.190 -28.762 31.701 1.00 23.22 C ATOM 518 C CYS A 35 -3.981 -28.051 31.101 1.00 32.40 C ATOM 519 O CYS A 35 -4.064 -26.888 30.709 1.00 63.30 O ATOM 520 CB CYS A 35 -5.329 -28.397 33.180 1.00 62.41 C ATOM 521 SG CYS A 35 -6.076 -26.777 33.473 1.00 22.24 S ATOM 0 H CYS A 35 -4.804 -30.704 32.395 1.00 11.13 H new ATOM 0 HA CYS A 35 -6.083 -28.435 31.168 1.00 23.22 H new ATOM 0 HB2 CYS A 35 -5.931 -29.158 33.676 1.00 62.41 H new ATOM 0 HB3 CYS A 35 -4.343 -28.419 33.643 1.00 62.41 H new ATOM 0 HG CYS A 35 -6.153 -26.560 34.752 1.00 22.24 H new ATOM 527 N GLY A 36 -2.858 -28.759 31.034 1.00 64.41 N ATOM 528 CA GLY A 36 -1.647 -28.179 30.482 1.00 32.32 C ATOM 529 C GLY A 36 -1.816 -27.749 29.039 1.00 72.14 C ATOM 530 O GLY A 36 -1.127 -26.844 28.570 1.00 70.03 O ATOM 0 H GLY A 36 -2.765 -29.724 31.352 1.00 64.41 H new ATOM 0 HA2 GLY A 36 -1.354 -27.318 31.083 1.00 32.32 H new ATOM 0 HA3 GLY A 36 -0.837 -28.905 30.549 1.00 32.32 H new ATOM 534 N GLU A 37 -2.735 -28.401 28.332 1.00 3.21 N ATOM 535 CA GLU A 37 -2.989 -28.081 26.932 1.00 34.33 C ATOM 536 C GLU A 37 -3.574 -26.679 26.792 1.00 12.11 C ATOM 537 O GLU A 37 -3.589 -26.106 25.703 1.00 50.35 O ATOM 538 CB GLU A 37 -3.943 -29.107 26.317 1.00 34.54 C ATOM 539 CG GLU A 37 -3.400 -29.768 25.062 1.00 64.13 C ATOM 540 CD GLU A 37 -2.862 -31.162 25.322 1.00 44.31 C ATOM 541 OE1 GLU A 37 -1.774 -31.274 25.926 1.00 15.14 O ATOM 542 OE2 GLU A 37 -3.527 -32.139 24.921 1.00 22.52 O ATOM 0 H GLU A 37 -3.315 -29.153 28.705 1.00 3.21 H new ATOM 0 HA GLU A 37 -2.038 -28.114 26.400 1.00 34.33 H new ATOM 0 HB2 GLU A 37 -4.161 -29.877 27.057 1.00 34.54 H new ATOM 0 HB3 GLU A 37 -4.887 -28.616 26.080 1.00 34.54 H new ATOM 0 HG2 GLU A 37 -4.190 -29.822 24.313 1.00 64.13 H new ATOM 0 HG3 GLU A 37 -2.606 -29.149 24.644 1.00 64.13 H new ATOM 549 N LYS A 38 -4.056 -26.132 27.903 1.00 53.43 N ATOM 550 CA LYS A 38 -4.642 -24.796 27.906 1.00 32.44 C ATOM 551 C LYS A 38 -3.560 -23.727 27.799 1.00 1.01 C ATOM 552 O LYS A 38 -3.669 -22.798 26.998 1.00 73.31 O ATOM 553 CB LYS A 38 -5.463 -24.581 29.180 1.00 2.30 C ATOM 554 CG LYS A 38 -6.097 -23.204 29.269 1.00 54.43 C ATOM 555 CD LYS A 38 -7.049 -22.952 28.111 1.00 61.51 C ATOM 556 CE LYS A 38 -6.482 -21.934 27.134 1.00 4.01 C ATOM 557 NZ LYS A 38 -7.556 -21.164 26.449 1.00 75.45 N ATOM 0 H LYS A 38 -4.053 -26.593 28.813 1.00 53.43 H new ATOM 0 HA LYS A 38 -5.298 -24.711 27.039 1.00 32.44 H new ATOM 0 HB2 LYS A 38 -6.247 -25.337 29.229 1.00 2.30 H new ATOM 0 HB3 LYS A 38 -4.820 -24.732 30.047 1.00 2.30 H new ATOM 0 HG2 LYS A 38 -6.637 -23.111 30.212 1.00 54.43 H new ATOM 0 HG3 LYS A 38 -5.317 -22.443 29.272 1.00 54.43 H new ATOM 0 HD2 LYS A 38 -7.245 -23.889 27.589 1.00 61.51 H new ATOM 0 HD3 LYS A 38 -8.005 -22.596 28.495 1.00 61.51 H new ATOM 0 HE2 LYS A 38 -5.826 -21.246 27.667 1.00 4.01 H new ATOM 0 HE3 LYS A 38 -5.871 -22.446 26.390 1.00 4.01 H new ATOM 0 HZ1 LYS A 38 -7.128 -20.481 25.792 1.00 75.45 H new ATOM 0 HZ2 LYS A 38 -8.168 -21.817 25.920 1.00 75.45 H new ATOM 0 HZ3 LYS A 38 -8.123 -20.655 27.156 1.00 75.45 H new ATOM 571 N ILE A 39 -2.516 -23.865 28.609 1.00 0.25 N ATOM 572 CA ILE A 39 -1.413 -22.911 28.603 1.00 73.51 C ATOM 573 C ILE A 39 -0.724 -22.877 27.243 1.00 73.30 C ATOM 574 O ILE A 39 -0.527 -21.810 26.661 1.00 63.34 O ATOM 575 CB ILE A 39 -0.371 -23.249 29.686 1.00 52.34 C ATOM 576 CG1 ILE A 39 -0.968 -23.045 31.080 1.00 61.33 C ATOM 577 CG2 ILE A 39 0.874 -22.393 29.507 1.00 62.34 C ATOM 578 CD1 ILE A 39 -0.456 -24.032 32.106 1.00 75.23 C ATOM 0 H ILE A 39 -2.410 -24.628 29.278 1.00 0.25 H new ATOM 0 HA ILE A 39 -1.841 -21.931 28.816 1.00 73.51 H new ATOM 0 HB ILE A 39 -0.087 -24.296 29.583 1.00 52.34 H new ATOM 0 HG12 ILE A 39 -0.744 -22.033 31.418 1.00 61.33 H new ATOM 0 HG13 ILE A 39 -2.053 -23.128 31.018 1.00 61.33 H new ATOM 0 HG21 ILE A 39 1.601 -22.643 30.279 1.00 62.34 H new ATOM 0 HG22 ILE A 39 1.308 -22.582 28.525 1.00 62.34 H new ATOM 0 HG23 ILE A 39 0.606 -21.340 29.588 1.00 62.34 H new ATOM 0 HD11 ILE A 39 -0.921 -23.828 33.070 1.00 75.23 H new ATOM 0 HD12 ILE A 39 -0.703 -25.046 31.791 1.00 75.23 H new ATOM 0 HD13 ILE A 39 0.626 -23.934 32.197 1.00 75.23 H new ATOM 590 N THR A 40 -0.361 -24.053 26.740 1.00 72.12 N ATOM 591 CA THR A 40 0.305 -24.159 25.448 1.00 2.30 C ATOM 592 C THR A 40 -0.529 -23.518 24.345 1.00 74.32 C ATOM 593 O THR A 40 0.010 -22.935 23.403 1.00 12.04 O ATOM 594 CB THR A 40 0.584 -25.628 25.078 1.00 12.20 C ATOM 595 OG1 THR A 40 -0.389 -26.481 25.691 1.00 14.54 O ATOM 596 CG2 THR A 40 1.979 -26.042 25.520 1.00 1.04 C ATOM 0 H THR A 40 -0.517 -24.946 27.208 1.00 72.12 H new ATOM 0 HA THR A 40 1.253 -23.629 25.537 1.00 2.30 H new ATOM 0 HB THR A 40 0.520 -25.725 23.994 1.00 12.20 H new ATOM 0 HG1 THR A 40 -1.289 -26.183 25.442 1.00 14.54 H new ATOM 0 HG21 THR A 40 2.153 -27.083 25.248 1.00 1.04 H new ATOM 0 HG22 THR A 40 2.719 -25.410 25.029 1.00 1.04 H new ATOM 0 HG23 THR A 40 2.066 -25.930 26.601 1.00 1.04 H new ATOM 604 N LEU A 41 -1.848 -23.630 24.467 1.00 45.54 N ATOM 605 CA LEU A 41 -2.758 -23.060 23.479 1.00 1.01 C ATOM 606 C LEU A 41 -2.663 -21.538 23.465 1.00 45.32 C ATOM 607 O LEU A 41 -2.548 -20.923 22.404 1.00 51.03 O ATOM 608 CB LEU A 41 -4.196 -23.490 23.775 1.00 40.53 C ATOM 609 CG LEU A 41 -5.294 -22.670 23.096 1.00 12.13 C ATOM 610 CD1 LEU A 41 -5.197 -22.796 21.584 1.00 73.01 C ATOM 611 CD2 LEU A 41 -6.667 -23.111 23.583 1.00 2.13 C ATOM 0 H LEU A 41 -2.310 -24.110 25.239 1.00 45.54 H new ATOM 0 HA LEU A 41 -2.468 -23.432 22.496 1.00 1.01 H new ATOM 0 HB2 LEU A 41 -4.311 -24.532 23.477 1.00 40.53 H new ATOM 0 HB3 LEU A 41 -4.352 -23.448 24.853 1.00 40.53 H new ATOM 0 HG LEU A 41 -5.155 -21.622 23.362 1.00 12.13 H new ATOM 0 HD11 LEU A 41 -5.986 -22.206 21.118 1.00 73.01 H new ATOM 0 HD12 LEU A 41 -4.226 -22.431 21.250 1.00 73.01 H new ATOM 0 HD13 LEU A 41 -5.309 -23.842 21.298 1.00 73.01 H new ATOM 0 HD21 LEU A 41 -7.436 -22.517 23.090 1.00 2.13 H new ATOM 0 HD22 LEU A 41 -6.815 -24.165 23.347 1.00 2.13 H new ATOM 0 HD23 LEU A 41 -6.734 -22.967 24.661 1.00 2.13 H new ATOM 623 N CYS A 42 -2.708 -20.936 24.648 1.00 33.33 N ATOM 624 CA CYS A 42 -2.626 -19.485 24.772 1.00 25.23 C ATOM 625 C CYS A 42 -1.408 -18.945 24.029 1.00 11.35 C ATOM 626 O CYS A 42 -1.449 -17.852 23.464 1.00 43.31 O ATOM 627 CB CYS A 42 -2.560 -19.081 26.246 1.00 62.41 C ATOM 628 SG CYS A 42 -1.929 -17.410 26.526 1.00 72.11 S ATOM 0 H CYS A 42 -2.801 -21.430 25.535 1.00 33.33 H new ATOM 0 HA CYS A 42 -3.522 -19.055 24.325 1.00 25.23 H new ATOM 0 HB2 CYS A 42 -3.558 -19.158 26.678 1.00 62.41 H new ATOM 0 HB3 CYS A 42 -1.927 -19.791 26.778 1.00 62.41 H new ATOM 0 HG CYS A 42 -1.913 -17.160 27.802 1.00 72.11 H new ATOM 634 N ILE A 43 -0.326 -19.716 24.037 1.00 74.43 N ATOM 635 CA ILE A 43 0.903 -19.314 23.364 1.00 34.41 C ATOM 636 C ILE A 43 0.790 -19.503 21.855 1.00 4.11 C ATOM 637 O ILE A 43 1.218 -18.648 21.079 1.00 74.31 O ATOM 638 CB ILE A 43 2.114 -20.112 23.881 1.00 22.42 C ATOM 639 CG1 ILE A 43 2.230 -19.978 25.401 1.00 43.41 C ATOM 640 CG2 ILE A 43 3.390 -19.637 23.203 1.00 42.22 C ATOM 641 CD1 ILE A 43 3.291 -20.869 26.007 1.00 24.02 C ATOM 0 H ILE A 43 -0.275 -20.622 24.502 1.00 74.43 H new ATOM 0 HA ILE A 43 1.053 -18.257 23.585 1.00 34.41 H new ATOM 0 HB ILE A 43 1.967 -21.164 23.638 1.00 22.42 H new ATOM 0 HG12 ILE A 43 2.453 -18.940 25.650 1.00 43.41 H new ATOM 0 HG13 ILE A 43 1.267 -20.215 25.853 1.00 43.41 H new ATOM 0 HG21 ILE A 43 4.237 -20.211 23.579 1.00 42.22 H new ATOM 0 HG22 ILE A 43 3.305 -19.780 22.126 1.00 42.22 H new ATOM 0 HG23 ILE A 43 3.544 -18.580 23.418 1.00 42.22 H new ATOM 0 HD11 ILE A 43 3.317 -20.721 27.087 1.00 24.02 H new ATOM 0 HD12 ILE A 43 3.059 -21.911 25.789 1.00 24.02 H new ATOM 0 HD13 ILE A 43 4.263 -20.617 25.583 1.00 24.02 H new ATOM 653 N SER A 44 0.211 -20.627 21.446 1.00 22.21 N ATOM 654 CA SER A 44 0.044 -20.929 20.029 1.00 30.44 C ATOM 655 C SER A 44 -0.689 -19.798 19.315 1.00 4.43 C ATOM 656 O SER A 44 -0.166 -19.202 18.373 1.00 55.21 O ATOM 657 CB SER A 44 -0.724 -22.241 19.853 1.00 14.42 C ATOM 658 OG SER A 44 -0.092 -23.300 20.550 1.00 1.01 O ATOM 0 H SER A 44 -0.150 -21.344 22.075 1.00 22.21 H new ATOM 0 HA SER A 44 1.034 -21.033 19.586 1.00 30.44 H new ATOM 0 HB2 SER A 44 -1.744 -22.120 20.217 1.00 14.42 H new ATOM 0 HB3 SER A 44 -0.790 -22.488 18.793 1.00 14.42 H new ATOM 0 HG SER A 44 -0.219 -23.179 21.514 1.00 1.01 H new ATOM 664 N VAL A 45 -1.903 -19.506 19.771 1.00 23.34 N ATOM 665 CA VAL A 45 -2.708 -18.446 19.178 1.00 12.31 C ATOM 666 C VAL A 45 -1.954 -17.121 19.171 1.00 24.01 C ATOM 667 O VAL A 45 -2.013 -16.365 18.200 1.00 31.04 O ATOM 668 CB VAL A 45 -4.038 -18.262 19.933 1.00 73.13 C ATOM 669 CG1 VAL A 45 -4.892 -17.199 19.259 1.00 11.53 C ATOM 670 CG2 VAL A 45 -4.788 -19.583 20.019 1.00 22.14 C ATOM 0 H VAL A 45 -2.350 -19.989 20.550 1.00 23.34 H new ATOM 0 HA VAL A 45 -2.919 -18.746 18.152 1.00 12.31 H new ATOM 0 HB VAL A 45 -3.817 -17.928 20.947 1.00 73.13 H new ATOM 0 HG11 VAL A 45 -5.827 -17.083 19.806 1.00 11.53 H new ATOM 0 HG12 VAL A 45 -4.355 -16.251 19.253 1.00 11.53 H new ATOM 0 HG13 VAL A 45 -5.107 -17.501 18.234 1.00 11.53 H new ATOM 0 HG21 VAL A 45 -5.725 -19.435 20.555 1.00 22.14 H new ATOM 0 HG22 VAL A 45 -4.999 -19.948 19.014 1.00 22.14 H new ATOM 0 HG23 VAL A 45 -4.178 -20.314 20.550 1.00 22.14 H new ATOM 680 N LEU A 46 -1.243 -16.846 20.259 1.00 13.53 N ATOM 681 CA LEU A 46 -0.475 -15.611 20.379 1.00 20.23 C ATOM 682 C LEU A 46 0.662 -15.576 19.363 1.00 74.34 C ATOM 683 O LEU A 46 1.039 -14.511 18.873 1.00 13.32 O ATOM 684 CB LEU A 46 0.087 -15.473 21.795 1.00 5.01 C ATOM 685 CG LEU A 46 -0.509 -14.352 22.648 1.00 64.34 C ATOM 686 CD1 LEU A 46 -0.003 -12.997 22.177 1.00 32.32 C ATOM 687 CD2 LEU A 46 -2.029 -14.401 22.605 1.00 40.32 C ATOM 0 H LEU A 46 -1.182 -17.461 21.070 1.00 13.53 H new ATOM 0 HA LEU A 46 -1.144 -14.775 20.177 1.00 20.23 H new ATOM 0 HB2 LEU A 46 -0.062 -16.418 22.317 1.00 5.01 H new ATOM 0 HB3 LEU A 46 1.163 -15.315 21.723 1.00 5.01 H new ATOM 0 HG LEU A 46 -0.190 -14.497 23.680 1.00 64.34 H new ATOM 0 HD11 LEU A 46 -0.437 -12.211 22.795 1.00 32.32 H new ATOM 0 HD12 LEU A 46 1.083 -12.965 22.260 1.00 32.32 H new ATOM 0 HD13 LEU A 46 -0.292 -12.842 21.137 1.00 32.32 H new ATOM 0 HD21 LEU A 46 -2.436 -13.597 23.217 1.00 40.32 H new ATOM 0 HD22 LEU A 46 -2.368 -14.281 21.576 1.00 40.32 H new ATOM 0 HD23 LEU A 46 -2.373 -15.361 22.991 1.00 40.32 H new ATOM 699 N LEU A 47 1.203 -16.748 19.047 1.00 15.15 N ATOM 700 CA LEU A 47 2.295 -16.852 18.086 1.00 22.55 C ATOM 701 C LEU A 47 1.896 -16.255 16.741 1.00 10.00 C ATOM 702 O LEU A 47 2.578 -15.377 16.214 1.00 43.43 O ATOM 703 CB LEU A 47 2.704 -18.315 17.907 1.00 61.54 C ATOM 704 CG LEU A 47 4.195 -18.573 17.687 1.00 61.43 C ATOM 705 CD1 LEU A 47 4.533 -20.028 17.974 1.00 62.12 C ATOM 706 CD2 LEU A 47 4.597 -18.201 16.267 1.00 2.32 C ATOM 0 H LEU A 47 0.903 -17.639 19.442 1.00 15.15 H new ATOM 0 HA LEU A 47 3.143 -16.288 18.474 1.00 22.55 H new ATOM 0 HB2 LEU A 47 2.386 -18.871 18.789 1.00 61.54 H new ATOM 0 HB3 LEU A 47 2.156 -18.723 17.058 1.00 61.54 H new ATOM 0 HG LEU A 47 4.758 -17.947 18.379 1.00 61.43 H new ATOM 0 HD11 LEU A 47 5.598 -20.193 17.812 1.00 62.12 H new ATOM 0 HD12 LEU A 47 4.283 -20.262 19.009 1.00 62.12 H new ATOM 0 HD13 LEU A 47 3.961 -20.673 17.307 1.00 62.12 H new ATOM 0 HD21 LEU A 47 5.661 -18.391 16.129 1.00 2.32 H new ATOM 0 HD22 LEU A 47 4.026 -18.801 15.558 1.00 2.32 H new ATOM 0 HD23 LEU A 47 4.392 -17.144 16.096 1.00 2.32 H new ATOM 718 N SER A 48 0.785 -16.736 16.192 1.00 62.11 N ATOM 719 CA SER A 48 0.296 -16.251 14.907 1.00 54.31 C ATOM 720 C SER A 48 -0.361 -14.882 15.058 1.00 40.23 C ATOM 721 O SER A 48 -0.341 -14.065 14.136 1.00 61.45 O ATOM 722 CB SER A 48 -0.702 -17.244 14.309 1.00 33.41 C ATOM 723 OG SER A 48 -0.455 -17.447 12.929 1.00 72.24 O ATOM 0 H SER A 48 0.207 -17.461 16.617 1.00 62.11 H new ATOM 0 HA SER A 48 1.149 -16.154 14.235 1.00 54.31 H new ATOM 0 HB2 SER A 48 -0.634 -18.195 14.837 1.00 33.41 H new ATOM 0 HB3 SER A 48 -1.717 -16.873 14.449 1.00 33.41 H new ATOM 0 HG SER A 48 -1.105 -18.087 12.571 1.00 72.24 H new ATOM 729 N LEU A 49 -0.943 -14.637 16.227 1.00 63.43 N ATOM 730 CA LEU A 49 -1.606 -13.367 16.501 1.00 73.45 C ATOM 731 C LEU A 49 -0.606 -12.216 16.483 1.00 13.22 C ATOM 732 O LEU A 49 -0.842 -11.183 15.854 1.00 23.44 O ATOM 733 CB LEU A 49 -2.316 -13.422 17.855 1.00 43.44 C ATOM 734 CG LEU A 49 -3.126 -12.183 18.238 1.00 53.02 C ATOM 735 CD1 LEU A 49 -4.594 -12.377 17.889 1.00 1.44 C ATOM 736 CD2 LEU A 49 -2.964 -11.877 19.719 1.00 1.45 C ATOM 0 H LEU A 49 -0.969 -15.301 17.000 1.00 63.43 H new ATOM 0 HA LEU A 49 -2.344 -13.194 15.718 1.00 73.45 H new ATOM 0 HB2 LEU A 49 -2.984 -14.283 17.858 1.00 43.44 H new ATOM 0 HB3 LEU A 49 -1.568 -13.596 18.628 1.00 43.44 H new ATOM 0 HG LEU A 49 -2.747 -11.334 17.669 1.00 53.02 H new ATOM 0 HD11 LEU A 49 -5.155 -11.485 18.169 1.00 1.44 H new ATOM 0 HD12 LEU A 49 -4.694 -12.547 16.817 1.00 1.44 H new ATOM 0 HD13 LEU A 49 -4.986 -13.237 18.431 1.00 1.44 H new ATOM 0 HD21 LEU A 49 -3.547 -10.992 19.974 1.00 1.45 H new ATOM 0 HD22 LEU A 49 -3.316 -12.725 20.306 1.00 1.45 H new ATOM 0 HD23 LEU A 49 -1.912 -11.694 19.940 1.00 1.45 H new ATOM 748 N THR A 50 0.513 -12.400 17.177 1.00 70.03 N ATOM 749 CA THR A 50 1.550 -11.378 17.240 1.00 13.34 C ATOM 750 C THR A 50 2.301 -11.273 15.918 1.00 54.10 C ATOM 751 O THR A 50 2.897 -10.241 15.611 1.00 4.34 O ATOM 752 CB THR A 50 2.557 -11.669 18.368 1.00 25.13 C ATOM 753 OG1 THR A 50 1.868 -12.136 19.533 1.00 73.41 O ATOM 754 CG2 THR A 50 3.359 -10.423 18.713 1.00 12.12 C ATOM 0 H THR A 50 0.724 -13.248 17.703 1.00 70.03 H new ATOM 0 HA THR A 50 1.049 -10.432 17.445 1.00 13.34 H new ATOM 0 HB THR A 50 3.245 -12.440 18.020 1.00 25.13 H new ATOM 0 HG1 THR A 50 1.784 -13.112 19.494 1.00 73.41 H new ATOM 0 HG21 THR A 50 4.063 -10.653 19.512 1.00 12.12 H new ATOM 0 HG22 THR A 50 3.906 -10.087 17.832 1.00 12.12 H new ATOM 0 HG23 THR A 50 2.682 -9.634 19.042 1.00 12.12 H new ATOM 762 N VAL A 51 2.267 -12.348 15.137 1.00 53.13 N ATOM 763 CA VAL A 51 2.943 -12.376 13.845 1.00 12.12 C ATOM 764 C VAL A 51 2.180 -11.560 12.808 1.00 73.34 C ATOM 765 O VAL A 51 2.739 -10.669 12.168 1.00 25.33 O ATOM 766 CB VAL A 51 3.107 -13.818 13.329 1.00 4.31 C ATOM 767 CG1 VAL A 51 3.156 -13.839 11.809 1.00 41.41 C ATOM 768 CG2 VAL A 51 4.356 -14.455 13.919 1.00 21.25 C ATOM 0 H VAL A 51 1.779 -13.211 15.376 1.00 53.13 H new ATOM 0 HA VAL A 51 3.930 -11.937 13.994 1.00 12.12 H new ATOM 0 HB VAL A 51 2.243 -14.401 13.649 1.00 4.31 H new ATOM 0 HG11 VAL A 51 3.272 -14.866 11.463 1.00 41.41 H new ATOM 0 HG12 VAL A 51 2.231 -13.424 11.409 1.00 41.41 H new ATOM 0 HG13 VAL A 51 4.000 -13.242 11.464 1.00 41.41 H new ATOM 0 HG21 VAL A 51 4.457 -15.474 13.544 1.00 21.25 H new ATOM 0 HG22 VAL A 51 5.232 -13.874 13.630 1.00 21.25 H new ATOM 0 HG23 VAL A 51 4.276 -14.475 15.006 1.00 21.25 H new ATOM 778 N PHE A 52 0.898 -11.871 12.645 1.00 12.42 N ATOM 779 CA PHE A 52 0.057 -11.167 11.684 1.00 14.43 C ATOM 780 C PHE A 52 -0.193 -9.729 12.130 1.00 5.25 C ATOM 781 O PHE A 52 -0.469 -8.851 11.311 1.00 23.43 O ATOM 782 CB PHE A 52 -1.277 -11.897 11.511 1.00 43.25 C ATOM 783 CG PHE A 52 -2.445 -10.973 11.313 1.00 23.32 C ATOM 784 CD1 PHE A 52 -2.648 -10.342 10.097 1.00 72.44 C ATOM 785 CD2 PHE A 52 -3.339 -10.736 12.345 1.00 41.23 C ATOM 786 CE1 PHE A 52 -3.722 -9.492 9.912 1.00 72.24 C ATOM 787 CE2 PHE A 52 -4.415 -9.887 12.165 1.00 22.14 C ATOM 788 CZ PHE A 52 -4.606 -9.264 10.948 1.00 51.42 C ATOM 0 H PHE A 52 0.419 -12.606 13.166 1.00 12.42 H new ATOM 0 HA PHE A 52 0.580 -11.147 10.728 1.00 14.43 H new ATOM 0 HB2 PHE A 52 -1.206 -12.569 10.655 1.00 43.25 H new ATOM 0 HB3 PHE A 52 -1.459 -12.517 12.389 1.00 43.25 H new ATOM 0 HD1 PHE A 52 -1.959 -10.516 9.284 1.00 72.44 H new ATOM 0 HD2 PHE A 52 -3.194 -11.220 13.300 1.00 41.23 H new ATOM 0 HE1 PHE A 52 -3.870 -9.007 8.958 1.00 72.24 H new ATOM 0 HE2 PHE A 52 -5.106 -9.711 12.976 1.00 22.14 H new ATOM 0 HZ PHE A 52 -5.445 -8.599 10.806 1.00 51.42 H new ATOM 798 N LEU A 53 -0.094 -9.495 13.434 1.00 4.14 N ATOM 799 CA LEU A 53 -0.308 -8.164 13.991 1.00 14.14 C ATOM 800 C LEU A 53 0.766 -7.193 13.512 1.00 21.11 C ATOM 801 O LEU A 53 0.461 -6.149 12.934 1.00 4.22 O ATOM 802 CB LEU A 53 -0.313 -8.224 15.520 1.00 45.31 C ATOM 803 CG LEU A 53 0.195 -6.975 16.242 1.00 65.21 C ATOM 804 CD1 LEU A 53 -0.647 -5.765 15.872 1.00 14.31 C ATOM 805 CD2 LEU A 53 0.190 -7.191 17.748 1.00 22.13 C ATOM 0 H LEU A 53 0.133 -10.210 14.125 1.00 4.14 H new ATOM 0 HA LEU A 53 -1.277 -7.804 13.644 1.00 14.14 H new ATOM 0 HB2 LEU A 53 -1.332 -8.423 15.853 1.00 45.31 H new ATOM 0 HB3 LEU A 53 0.295 -9.073 15.832 1.00 45.31 H new ATOM 0 HG LEU A 53 1.221 -6.788 15.925 1.00 65.21 H new ATOM 0 HD11 LEU A 53 -0.271 -4.886 16.395 1.00 14.31 H new ATOM 0 HD12 LEU A 53 -0.592 -5.598 14.796 1.00 14.31 H new ATOM 0 HD13 LEU A 53 -1.684 -5.942 16.159 1.00 14.31 H new ATOM 0 HD21 LEU A 53 0.554 -6.292 18.246 1.00 22.13 H new ATOM 0 HD22 LEU A 53 -0.826 -7.404 18.082 1.00 22.13 H new ATOM 0 HD23 LEU A 53 0.838 -8.032 17.997 1.00 22.13 H new ATOM 817 N LEU A 54 2.024 -7.545 13.754 1.00 41.13 N ATOM 818 CA LEU A 54 3.145 -6.706 13.345 1.00 42.04 C ATOM 819 C LEU A 54 3.060 -6.369 11.859 1.00 15.35 C ATOM 820 O LEU A 54 3.205 -5.211 11.465 1.00 10.23 O ATOM 821 CB LEU A 54 4.470 -7.410 13.644 1.00 41.41 C ATOM 822 CG LEU A 54 5.634 -6.504 14.048 1.00 64.51 C ATOM 823 CD1 LEU A 54 5.868 -6.573 15.549 1.00 21.41 C ATOM 824 CD2 LEU A 54 6.897 -6.890 13.292 1.00 62.35 C ATOM 0 H LEU A 54 2.293 -8.405 14.231 1.00 41.13 H new ATOM 0 HA LEU A 54 3.097 -5.777 13.913 1.00 42.04 H new ATOM 0 HB2 LEU A 54 4.303 -8.132 14.444 1.00 41.41 H new ATOM 0 HB3 LEU A 54 4.766 -7.976 12.760 1.00 41.41 H new ATOM 0 HG LEU A 54 5.377 -5.477 13.788 1.00 64.51 H new ATOM 0 HD11 LEU A 54 6.700 -5.922 15.818 1.00 21.41 H new ATOM 0 HD12 LEU A 54 4.969 -6.248 16.073 1.00 21.41 H new ATOM 0 HD13 LEU A 54 6.103 -7.599 15.834 1.00 21.41 H new ATOM 0 HD21 LEU A 54 7.715 -6.235 13.592 1.00 62.35 H new ATOM 0 HD22 LEU A 54 7.157 -7.923 13.521 1.00 62.35 H new ATOM 0 HD23 LEU A 54 6.725 -6.788 12.220 1.00 62.35 H new ATOM 836 N LEU A 55 2.821 -7.387 11.040 1.00 54.40 N ATOM 837 CA LEU A 55 2.713 -7.198 9.597 1.00 32.34 C ATOM 838 C LEU A 55 1.715 -6.094 9.266 1.00 53.45 C ATOM 839 O LEU A 55 1.927 -5.310 8.340 1.00 53.32 O ATOM 840 CB LEU A 55 2.288 -8.504 8.923 1.00 24.11 C ATOM 841 CG LEU A 55 3.096 -8.917 7.692 1.00 23.43 C ATOM 842 CD1 LEU A 55 2.412 -10.064 6.965 1.00 71.20 C ATOM 843 CD2 LEU A 55 3.290 -7.731 6.759 1.00 62.42 C ATOM 0 H LEU A 55 2.698 -8.351 11.350 1.00 54.40 H new ATOM 0 HA LEU A 55 3.692 -6.903 9.219 1.00 32.34 H new ATOM 0 HB2 LEU A 55 2.349 -9.306 9.659 1.00 24.11 H new ATOM 0 HB3 LEU A 55 1.241 -8.416 8.633 1.00 24.11 H new ATOM 0 HG LEU A 55 4.077 -9.258 8.022 1.00 23.43 H new ATOM 0 HD11 LEU A 55 3.001 -10.344 6.092 1.00 71.20 H new ATOM 0 HD12 LEU A 55 2.326 -10.920 7.635 1.00 71.20 H new ATOM 0 HD13 LEU A 55 1.418 -9.751 6.646 1.00 71.20 H new ATOM 0 HD21 LEU A 55 3.867 -8.043 5.889 1.00 62.42 H new ATOM 0 HD22 LEU A 55 2.318 -7.360 6.436 1.00 62.42 H new ATOM 0 HD23 LEU A 55 3.825 -6.939 7.284 1.00 62.42 H new ATOM 855 N ILE A 56 0.628 -6.037 10.028 1.00 0.40 N ATOM 856 CA ILE A 56 -0.401 -5.026 9.817 1.00 44.32 C ATOM 857 C ILE A 56 0.084 -3.648 10.256 1.00 62.15 C ATOM 858 O ILE A 56 -0.329 -2.627 9.704 1.00 25.13 O ATOM 859 CB ILE A 56 -1.693 -5.370 10.580 1.00 12.31 C ATOM 860 CG1 ILE A 56 -2.373 -6.589 9.953 1.00 5.11 C ATOM 861 CG2 ILE A 56 -2.637 -4.176 10.588 1.00 20.54 C ATOM 862 CD1 ILE A 56 -2.828 -6.361 8.529 1.00 43.14 C ATOM 0 H ILE A 56 0.437 -6.679 10.797 1.00 0.40 H new ATOM 0 HA ILE A 56 -0.613 -5.010 8.748 1.00 44.32 H new ATOM 0 HB ILE A 56 -1.435 -5.612 11.611 1.00 12.31 H new ATOM 0 HG12 ILE A 56 -1.682 -7.432 9.975 1.00 5.11 H new ATOM 0 HG13 ILE A 56 -3.234 -6.867 10.561 1.00 5.11 H new ATOM 0 HG21 ILE A 56 -3.546 -4.435 11.131 1.00 20.54 H new ATOM 0 HG22 ILE A 56 -2.151 -3.331 11.076 1.00 20.54 H new ATOM 0 HG23 ILE A 56 -2.891 -3.906 9.563 1.00 20.54 H new ATOM 0 HD11 ILE A 56 -3.301 -7.267 8.149 1.00 43.14 H new ATOM 0 HD12 ILE A 56 -3.544 -5.539 8.503 1.00 43.14 H new ATOM 0 HD13 ILE A 56 -1.968 -6.112 7.908 1.00 43.14 H new ATOM 874 N THR A 57 0.965 -3.626 11.251 1.00 2.00 N ATOM 875 CA THR A 57 1.508 -2.374 11.764 1.00 35.30 C ATOM 876 C THR A 57 2.561 -1.804 10.821 1.00 21.23 C ATOM 877 O THR A 57 2.970 -0.652 10.958 1.00 42.10 O ATOM 878 CB THR A 57 2.132 -2.563 13.160 1.00 53.44 C ATOM 879 OG1 THR A 57 3.430 -3.154 13.040 1.00 63.13 O ATOM 880 CG2 THR A 57 1.248 -3.440 14.034 1.00 41.23 C ATOM 0 H THR A 57 1.318 -4.461 11.718 1.00 2.00 H new ATOM 0 HA THR A 57 0.675 -1.675 11.838 1.00 35.30 H new ATOM 0 HB THR A 57 2.221 -1.583 13.630 1.00 53.44 H new ATOM 0 HG1 THR A 57 3.366 -3.980 12.517 1.00 63.13 H new ATOM 0 HG21 THR A 57 1.709 -3.559 15.014 1.00 41.23 H new ATOM 0 HG22 THR A 57 0.270 -2.972 14.147 1.00 41.23 H new ATOM 0 HG23 THR A 57 1.130 -4.418 13.567 1.00 41.23 H new ATOM 888 N GLU A 58 2.996 -2.619 9.865 1.00 54.23 N ATOM 889 CA GLU A 58 4.002 -2.194 8.899 1.00 4.44 C ATOM 890 C GLU A 58 3.350 -1.533 7.688 1.00 1.23 C ATOM 891 O GLU A 58 3.849 -0.533 7.170 1.00 34.21 O ATOM 892 CB GLU A 58 4.846 -3.388 8.449 1.00 22.15 C ATOM 893 CG GLU A 58 5.642 -4.029 9.574 1.00 32.30 C ATOM 894 CD GLU A 58 6.798 -3.164 10.038 1.00 71.45 C ATOM 895 OE1 GLU A 58 7.820 -3.108 9.322 1.00 71.11 O ATOM 896 OE2 GLU A 58 6.681 -2.544 11.115 1.00 21.40 O ATOM 0 H GLU A 58 2.668 -3.576 9.739 1.00 54.23 H new ATOM 0 HA GLU A 58 4.649 -1.464 9.385 1.00 4.44 H new ATOM 0 HB2 GLU A 58 4.192 -4.138 8.005 1.00 22.15 H new ATOM 0 HB3 GLU A 58 5.534 -3.063 7.668 1.00 22.15 H new ATOM 0 HG2 GLU A 58 4.979 -4.225 10.417 1.00 32.30 H new ATOM 0 HG3 GLU A 58 6.026 -4.993 9.239 1.00 32.30 H new ATOM 903 N ILE A 59 2.234 -2.099 7.243 1.00 54.21 N ATOM 904 CA ILE A 59 1.513 -1.565 6.094 1.00 70.02 C ATOM 905 C ILE A 59 0.702 -0.332 6.478 1.00 75.41 C ATOM 906 O ILE A 59 0.504 0.571 5.665 1.00 72.02 O ATOM 907 CB ILE A 59 0.569 -2.617 5.483 1.00 71.42 C ATOM 908 CG1 ILE A 59 -0.543 -2.973 6.472 1.00 4.24 C ATOM 909 CG2 ILE A 59 1.349 -3.861 5.085 1.00 61.41 C ATOM 910 CD1 ILE A 59 -1.260 -4.261 6.137 1.00 35.54 C ATOM 0 H ILE A 59 1.809 -2.927 7.660 1.00 54.21 H new ATOM 0 HA ILE A 59 2.262 -1.287 5.353 1.00 70.02 H new ATOM 0 HB ILE A 59 0.112 -2.196 4.587 1.00 71.42 H new ATOM 0 HG12 ILE A 59 -0.117 -3.054 7.472 1.00 4.24 H new ATOM 0 HG13 ILE A 59 -1.268 -2.160 6.499 1.00 4.24 H new ATOM 0 HG21 ILE A 59 0.668 -4.595 4.655 1.00 61.41 H new ATOM 0 HG22 ILE A 59 2.108 -3.595 4.349 1.00 61.41 H new ATOM 0 HG23 ILE A 59 1.831 -4.285 5.966 1.00 61.41 H new ATOM 0 HD11 ILE A 59 -2.035 -4.450 6.880 1.00 35.54 H new ATOM 0 HD12 ILE A 59 -1.716 -4.178 5.151 1.00 35.54 H new ATOM 0 HD13 ILE A 59 -0.547 -5.085 6.138 1.00 35.54 H new ATOM 922 N ILE A 60 0.236 -0.302 7.722 1.00 53.31 N ATOM 923 CA ILE A 60 -0.552 0.822 8.215 1.00 64.33 C ATOM 924 C ILE A 60 -1.859 0.958 7.442 1.00 70.23 C ATOM 925 O ILE A 60 -2.031 1.856 6.618 1.00 54.41 O ATOM 926 CB ILE A 60 0.231 2.144 8.115 1.00 51.42 C ATOM 927 CG1 ILE A 60 1.616 1.991 8.746 1.00 44.54 C ATOM 928 CG2 ILE A 60 -0.542 3.269 8.787 1.00 11.12 C ATOM 929 CD1 ILE A 60 2.749 2.087 7.747 1.00 12.33 C ATOM 0 H ILE A 60 0.390 -1.042 8.407 1.00 53.31 H new ATOM 0 HA ILE A 60 -0.772 0.618 9.263 1.00 64.33 H new ATOM 0 HB ILE A 60 0.358 2.395 7.062 1.00 51.42 H new ATOM 0 HG12 ILE A 60 1.747 2.761 9.507 1.00 44.54 H new ATOM 0 HG13 ILE A 60 1.671 1.028 9.254 1.00 44.54 H new ATOM 0 HG21 ILE A 60 0.024 4.197 8.708 1.00 11.12 H new ATOM 0 HG22 ILE A 60 -1.508 3.390 8.297 1.00 11.12 H new ATOM 0 HG23 ILE A 60 -0.697 3.027 9.838 1.00 11.12 H new ATOM 0 HD11 ILE A 60 3.701 1.970 8.264 1.00 12.33 H new ATOM 0 HD12 ILE A 60 2.643 1.301 7.000 1.00 12.33 H new ATOM 0 HD13 ILE A 60 2.720 3.060 7.257 1.00 12.33 H new ATOM 941 N PRO A 61 -2.805 0.046 7.713 1.00 4.02 N ATOM 942 CA PRO A 61 -4.115 0.044 7.055 1.00 4.24 C ATOM 943 C PRO A 61 -4.984 1.219 7.491 1.00 23.13 C ATOM 944 O PRO A 61 -6.033 1.479 6.903 1.00 51.04 O ATOM 945 CB PRO A 61 -4.737 -1.279 7.509 1.00 53.35 C ATOM 946 CG PRO A 61 -4.068 -1.589 8.803 1.00 42.23 C ATOM 947 CD PRO A 61 -2.668 -1.053 8.684 1.00 62.14 C ATOM 0 HA PRO A 61 -4.028 0.141 5.973 1.00 4.24 H new ATOM 0 HB2 PRO A 61 -5.816 -1.187 7.634 1.00 53.35 H new ATOM 0 HB3 PRO A 61 -4.567 -2.068 6.777 1.00 53.35 H new ATOM 0 HG2 PRO A 61 -4.595 -1.123 9.636 1.00 42.23 H new ATOM 0 HG3 PRO A 61 -4.060 -2.663 8.991 1.00 42.23 H new ATOM 0 HD2 PRO A 61 -2.291 -0.697 9.643 1.00 62.14 H new ATOM 0 HD3 PRO A 61 -1.974 -1.816 8.332 1.00 62.14 H new ATOM 1043 N SER A 69 -11.653 -0.762 6.643 1.00 72.12 N ATOM 1044 CA SER A 69 -10.313 -1.004 7.164 1.00 41.21 C ATOM 1045 C SER A 69 -10.306 -2.200 8.110 1.00 24.35 C ATOM 1046 O SER A 69 -11.299 -2.480 8.782 1.00 0.14 O ATOM 1047 CB SER A 69 -9.793 0.239 7.890 1.00 34.50 C ATOM 1048 OG SER A 69 -10.763 0.746 8.791 1.00 61.35 O ATOM 0 HA SER A 69 -9.657 -1.225 6.322 1.00 41.21 H new ATOM 0 HB2 SER A 69 -8.881 -0.008 8.434 1.00 34.50 H new ATOM 0 HB3 SER A 69 -9.532 1.007 7.162 1.00 34.50 H new ATOM 0 HG SER A 69 -11.650 0.417 8.535 1.00 61.35 H new ATOM 1054 N ILE A 70 -9.179 -2.903 8.157 1.00 3.44 N ATOM 1055 CA ILE A 70 -9.041 -4.068 9.022 1.00 60.22 C ATOM 1056 C ILE A 70 -8.849 -3.654 10.477 1.00 41.03 C ATOM 1057 O ILE A 70 -8.970 -4.472 11.387 1.00 35.23 O ATOM 1058 CB ILE A 70 -7.856 -4.952 8.591 1.00 43.14 C ATOM 1059 CG1 ILE A 70 -7.960 -6.334 9.239 1.00 63.15 C ATOM 1060 CG2 ILE A 70 -6.538 -4.287 8.958 1.00 43.40 C ATOM 1061 CD1 ILE A 70 -6.853 -7.280 8.826 1.00 53.40 C ATOM 0 H ILE A 70 -8.348 -2.686 7.606 1.00 3.44 H new ATOM 0 HA ILE A 70 -9.964 -4.640 8.929 1.00 60.22 H new ATOM 0 HB ILE A 70 -7.889 -5.076 7.509 1.00 43.14 H new ATOM 0 HG12 ILE A 70 -7.944 -6.220 10.323 1.00 63.15 H new ATOM 0 HG13 ILE A 70 -8.921 -6.777 8.979 1.00 63.15 H new ATOM 0 HG21 ILE A 70 -5.710 -4.924 8.647 1.00 43.40 H new ATOM 0 HG22 ILE A 70 -6.464 -3.323 8.454 1.00 43.40 H new ATOM 0 HG23 ILE A 70 -6.494 -4.136 10.037 1.00 43.40 H new ATOM 0 HD11 ILE A 70 -6.990 -8.240 9.324 1.00 53.40 H new ATOM 0 HD12 ILE A 70 -6.881 -7.424 7.746 1.00 53.40 H new ATOM 0 HD13 ILE A 70 -5.889 -6.858 9.111 1.00 53.40 H new ATOM 1073 N GLY A 71 -8.549 -2.376 10.688 1.00 15.21 N ATOM 1074 CA GLY A 71 -8.347 -1.874 12.035 1.00 72.13 C ATOM 1075 C GLY A 71 -9.502 -2.210 12.958 1.00 44.20 C ATOM 1076 O GLY A 71 -9.317 -2.349 14.167 1.00 52.15 O ATOM 0 H GLY A 71 -8.442 -1.679 9.951 1.00 15.21 H new ATOM 0 HA2 GLY A 71 -7.427 -2.294 12.442 1.00 72.13 H new ATOM 0 HA3 GLY A 71 -8.216 -0.792 12.001 1.00 72.13 H new ATOM 1080 N GLU A 72 -10.696 -2.338 12.388 1.00 64.44 N ATOM 1081 CA GLU A 72 -11.885 -2.657 13.169 1.00 25.13 C ATOM 1082 C GLU A 72 -11.909 -4.136 13.544 1.00 71.23 C ATOM 1083 O GLU A 72 -12.395 -4.509 14.612 1.00 71.43 O ATOM 1084 CB GLU A 72 -13.149 -2.297 12.386 1.00 3.10 C ATOM 1085 CG GLU A 72 -13.126 -0.893 11.806 1.00 11.32 C ATOM 1086 CD GLU A 72 -14.334 -0.073 12.216 1.00 1.33 C ATOM 1087 OE1 GLU A 72 -14.308 0.509 13.321 1.00 3.30 O ATOM 1088 OE2 GLU A 72 -15.305 -0.013 11.433 1.00 22.14 O ATOM 0 H GLU A 72 -10.865 -2.226 11.388 1.00 64.44 H new ATOM 0 HA GLU A 72 -11.855 -2.068 14.086 1.00 25.13 H new ATOM 0 HB2 GLU A 72 -13.281 -3.014 11.575 1.00 3.10 H new ATOM 0 HB3 GLU A 72 -14.013 -2.396 13.043 1.00 3.10 H new ATOM 0 HG2 GLU A 72 -12.219 -0.384 12.131 1.00 11.32 H new ATOM 0 HG3 GLU A 72 -13.085 -0.954 10.718 1.00 11.32 H new ATOM 1095 N TYR A 73 -11.382 -4.973 12.657 1.00 33.52 N ATOM 1096 CA TYR A 73 -11.346 -6.412 12.892 1.00 32.01 C ATOM 1097 C TYR A 73 -10.285 -6.768 13.928 1.00 25.32 C ATOM 1098 O TYR A 73 -10.522 -7.579 14.825 1.00 51.12 O ATOM 1099 CB TYR A 73 -11.069 -7.157 11.585 1.00 52.40 C ATOM 1100 CG TYR A 73 -10.479 -8.534 11.786 1.00 33.21 C ATOM 1101 CD1 TYR A 73 -11.268 -9.593 12.220 1.00 43.24 C ATOM 1102 CD2 TYR A 73 -9.133 -8.777 11.541 1.00 32.25 C ATOM 1103 CE1 TYR A 73 -10.733 -10.853 12.405 1.00 4.34 C ATOM 1104 CE2 TYR A 73 -8.590 -10.034 11.723 1.00 22.31 C ATOM 1105 CZ TYR A 73 -9.393 -11.069 12.156 1.00 54.53 C ATOM 1106 OH TYR A 73 -8.857 -12.323 12.338 1.00 1.51 O ATOM 0 H TYR A 73 -10.974 -4.680 11.769 1.00 33.52 H new ATOM 0 HA TYR A 73 -12.320 -6.716 13.276 1.00 32.01 H new ATOM 0 HB2 TYR A 73 -11.999 -7.248 11.024 1.00 52.40 H new ATOM 0 HB3 TYR A 73 -10.387 -6.564 10.976 1.00 52.40 H new ATOM 0 HD1 TYR A 73 -12.317 -9.428 12.416 1.00 43.24 H new ATOM 0 HD2 TYR A 73 -8.501 -7.969 11.203 1.00 32.25 H new ATOM 0 HE1 TYR A 73 -11.360 -11.665 12.743 1.00 4.34 H new ATOM 0 HE2 TYR A 73 -7.542 -10.206 11.527 1.00 22.31 H new ATOM 0 HH TYR A 73 -9.334 -12.968 11.775 1.00 1.51 H new ATOM 1116 N LEU A 74 -9.113 -6.156 13.799 1.00 24.40 N ATOM 1117 CA LEU A 74 -8.013 -6.407 14.724 1.00 65.12 C ATOM 1118 C LEU A 74 -8.376 -5.961 16.136 1.00 34.34 C ATOM 1119 O LEU A 74 -7.905 -6.534 17.120 1.00 14.53 O ATOM 1120 CB LEU A 74 -6.751 -5.679 14.256 1.00 31.10 C ATOM 1121 CG LEU A 74 -5.542 -6.563 13.947 1.00 2.42 C ATOM 1122 CD1 LEU A 74 -4.637 -5.891 12.926 1.00 3.33 C ATOM 1123 CD2 LEU A 74 -4.771 -6.876 15.221 1.00 31.14 C ATOM 0 H LEU A 74 -8.900 -5.483 13.063 1.00 24.40 H new ATOM 0 HA LEU A 74 -7.822 -7.480 14.740 1.00 65.12 H new ATOM 0 HB2 LEU A 74 -6.996 -5.107 13.361 1.00 31.10 H new ATOM 0 HB3 LEU A 74 -6.464 -4.961 15.024 1.00 31.10 H new ATOM 0 HG LEU A 74 -5.900 -7.501 13.523 1.00 2.42 H new ATOM 0 HD11 LEU A 74 -3.782 -6.534 12.718 1.00 3.33 H new ATOM 0 HD12 LEU A 74 -5.193 -5.718 12.005 1.00 3.33 H new ATOM 0 HD13 LEU A 74 -4.286 -4.938 13.322 1.00 3.33 H new ATOM 0 HD21 LEU A 74 -3.914 -7.506 14.982 1.00 31.14 H new ATOM 0 HD22 LEU A 74 -4.424 -5.947 15.674 1.00 31.14 H new ATOM 0 HD23 LEU A 74 -5.422 -7.399 15.921 1.00 31.14 H new ATOM 1135 N LEU A 75 -9.219 -4.938 16.230 1.00 64.23 N ATOM 1136 CA LEU A 75 -9.648 -4.417 17.523 1.00 53.55 C ATOM 1137 C LEU A 75 -10.774 -5.265 18.105 1.00 21.13 C ATOM 1138 O LEU A 75 -10.640 -5.833 19.189 1.00 23.33 O ATOM 1139 CB LEU A 75 -10.110 -2.965 17.381 1.00 5.10 C ATOM 1140 CG LEU A 75 -10.311 -2.194 18.686 1.00 23.33 C ATOM 1141 CD1 LEU A 75 -8.970 -1.877 19.331 1.00 53.44 C ATOM 1142 CD2 LEU A 75 -11.100 -0.918 18.436 1.00 40.43 C ATOM 0 H LEU A 75 -9.619 -4.453 15.426 1.00 64.23 H new ATOM 0 HA LEU A 75 -8.798 -4.458 18.204 1.00 53.55 H new ATOM 0 HB2 LEU A 75 -9.379 -2.430 16.775 1.00 5.10 H new ATOM 0 HB3 LEU A 75 -11.050 -2.956 16.829 1.00 5.10 H new ATOM 0 HG LEU A 75 -10.881 -2.821 19.372 1.00 23.33 H new ATOM 0 HD11 LEU A 75 -9.133 -1.328 20.258 1.00 53.44 H new ATOM 0 HD12 LEU A 75 -8.442 -2.806 19.547 1.00 53.44 H new ATOM 0 HD13 LEU A 75 -8.373 -1.270 18.650 1.00 53.44 H new ATOM 0 HD21 LEU A 75 -11.233 -0.383 19.376 1.00 40.43 H new ATOM 0 HD22 LEU A 75 -10.557 -0.287 17.732 1.00 40.43 H new ATOM 0 HD23 LEU A 75 -12.076 -1.169 18.020 1.00 40.43 H new ATOM 1154 N PHE A 76 -11.883 -5.348 17.378 1.00 63.44 N ATOM 1155 CA PHE A 76 -13.032 -6.129 17.822 1.00 43.14 C ATOM 1156 C PHE A 76 -12.615 -7.551 18.187 1.00 51.32 C ATOM 1157 O PHE A 76 -13.032 -8.088 19.213 1.00 24.44 O ATOM 1158 CB PHE A 76 -14.104 -6.164 16.730 1.00 3.14 C ATOM 1159 CG PHE A 76 -15.109 -5.054 16.842 1.00 14.13 C ATOM 1160 CD1 PHE A 76 -14.715 -3.779 17.213 1.00 0.41 C ATOM 1161 CD2 PHE A 76 -16.449 -5.286 16.577 1.00 35.22 C ATOM 1162 CE1 PHE A 76 -15.638 -2.755 17.317 1.00 41.34 C ATOM 1163 CE2 PHE A 76 -17.377 -4.266 16.679 1.00 63.33 C ATOM 1164 CZ PHE A 76 -16.971 -2.999 17.050 1.00 23.40 C ATOM 0 H PHE A 76 -12.011 -4.884 16.479 1.00 63.44 H new ATOM 0 HA PHE A 76 -13.444 -5.651 18.711 1.00 43.14 H new ATOM 0 HB2 PHE A 76 -13.620 -6.108 15.755 1.00 3.14 H new ATOM 0 HB3 PHE A 76 -14.625 -7.121 16.773 1.00 3.14 H new ATOM 0 HD1 PHE A 76 -13.674 -3.582 17.424 1.00 0.41 H new ATOM 0 HD2 PHE A 76 -16.772 -6.275 16.287 1.00 35.22 H new ATOM 0 HE1 PHE A 76 -15.317 -1.765 17.607 1.00 41.34 H new ATOM 0 HE2 PHE A 76 -18.418 -4.460 16.469 1.00 63.33 H new ATOM 0 HZ PHE A 76 -17.694 -2.201 17.131 1.00 23.40 H new ATOM 1174 N THR A 77 -11.790 -8.156 17.338 1.00 3.41 N ATOM 1175 CA THR A 77 -11.317 -9.515 17.569 1.00 54.10 C ATOM 1176 C THR A 77 -10.492 -9.600 18.848 1.00 62.34 C ATOM 1177 O THR A 77 -10.688 -10.499 19.665 1.00 1.01 O ATOM 1178 CB THR A 77 -10.468 -10.023 16.388 1.00 13.34 C ATOM 1179 OG1 THR A 77 -11.266 -10.080 15.200 1.00 21.35 O ATOM 1180 CG2 THR A 77 -9.895 -11.400 16.687 1.00 5.53 C ATOM 0 H THR A 77 -11.436 -7.726 16.484 1.00 3.41 H new ATOM 0 HA THR A 77 -12.201 -10.145 17.668 1.00 54.10 H new ATOM 0 HB THR A 77 -9.642 -9.328 16.237 1.00 13.34 H new ATOM 0 HG1 THR A 77 -10.682 -10.157 14.417 1.00 21.35 H new ATOM 0 HG21 THR A 77 -9.299 -11.738 15.839 1.00 5.53 H new ATOM 0 HG22 THR A 77 -9.265 -11.347 17.575 1.00 5.53 H new ATOM 0 HG23 THR A 77 -10.710 -12.103 16.862 1.00 5.53 H new ATOM 1188 N MET A 78 -9.568 -8.659 19.014 1.00 35.03 N ATOM 1189 CA MET A 78 -8.714 -8.628 20.196 1.00 52.22 C ATOM 1190 C MET A 78 -9.550 -8.534 21.468 1.00 2.15 C ATOM 1191 O MET A 78 -9.273 -9.216 22.455 1.00 24.14 O ATOM 1192 CB MET A 78 -7.745 -7.446 20.120 1.00 72.43 C ATOM 1193 CG MET A 78 -6.399 -7.803 19.511 1.00 41.14 C ATOM 1194 SD MET A 78 -5.194 -6.470 19.661 1.00 63.22 S ATOM 1195 CE MET A 78 -3.783 -7.194 18.829 1.00 64.43 C ATOM 0 H MET A 78 -9.392 -7.909 18.346 1.00 35.03 H new ATOM 0 HA MET A 78 -8.143 -9.556 20.226 1.00 52.22 H new ATOM 0 HB2 MET A 78 -8.201 -6.650 19.532 1.00 72.43 H new ATOM 0 HB3 MET A 78 -7.587 -7.051 21.123 1.00 72.43 H new ATOM 0 HG2 MET A 78 -6.009 -8.697 19.999 1.00 41.14 H new ATOM 0 HG3 MET A 78 -6.535 -8.048 18.458 1.00 41.14 H new ATOM 0 HE1 MET A 78 -3.047 -6.418 18.618 1.00 64.43 H new ATOM 0 HE2 MET A 78 -3.335 -7.955 19.468 1.00 64.43 H new ATOM 0 HE3 MET A 78 -4.107 -7.651 17.894 1.00 64.43 H new ATOM 1205 N ILE A 79 -10.572 -7.686 21.439 1.00 41.54 N ATOM 1206 CA ILE A 79 -11.447 -7.504 22.590 1.00 73.12 C ATOM 1207 C ILE A 79 -12.355 -8.714 22.786 1.00 1.33 C ATOM 1208 O ILE A 79 -12.665 -9.094 23.916 1.00 40.24 O ATOM 1209 CB ILE A 79 -12.318 -6.242 22.442 1.00 64.11 C ATOM 1210 CG1 ILE A 79 -11.435 -4.998 22.328 1.00 3.31 C ATOM 1211 CG2 ILE A 79 -13.271 -6.115 23.620 1.00 35.44 C ATOM 1212 CD1 ILE A 79 -10.737 -4.632 23.619 1.00 11.44 C ATOM 0 H ILE A 79 -10.815 -7.114 20.630 1.00 41.54 H new ATOM 0 HA ILE A 79 -10.802 -7.390 23.462 1.00 73.12 H new ATOM 0 HB ILE A 79 -12.909 -6.331 21.530 1.00 64.11 H new ATOM 0 HG12 ILE A 79 -10.686 -5.164 21.554 1.00 3.31 H new ATOM 0 HG13 ILE A 79 -12.047 -4.156 22.004 1.00 3.31 H new ATOM 0 HG21 ILE A 79 -13.879 -5.219 23.501 1.00 35.44 H new ATOM 0 HG22 ILE A 79 -13.919 -6.991 23.660 1.00 35.44 H new ATOM 0 HG23 ILE A 79 -12.699 -6.045 24.545 1.00 35.44 H new ATOM 0 HD11 ILE A 79 -10.129 -3.741 23.464 1.00 11.44 H new ATOM 0 HD12 ILE A 79 -11.480 -4.434 24.391 1.00 11.44 H new ATOM 0 HD13 ILE A 79 -10.098 -5.457 23.934 1.00 11.44 H new ATOM 1224 N PHE A 80 -12.777 -9.316 21.679 1.00 24.14 N ATOM 1225 CA PHE A 80 -13.648 -10.484 21.729 1.00 33.14 C ATOM 1226 C PHE A 80 -12.915 -11.685 22.320 1.00 13.13 C ATOM 1227 O PHE A 80 -13.357 -12.272 23.308 1.00 0.54 O ATOM 1228 CB PHE A 80 -14.161 -10.824 20.329 1.00 73.24 C ATOM 1229 CG PHE A 80 -15.389 -11.690 20.334 1.00 42.25 C ATOM 1230 CD1 PHE A 80 -16.625 -11.159 20.665 1.00 32.42 C ATOM 1231 CD2 PHE A 80 -15.307 -13.033 20.006 1.00 24.50 C ATOM 1232 CE1 PHE A 80 -17.756 -11.954 20.671 1.00 11.13 C ATOM 1233 CE2 PHE A 80 -16.434 -13.833 20.010 1.00 52.10 C ATOM 1234 CZ PHE A 80 -17.661 -13.292 20.342 1.00 3.11 C ATOM 0 H PHE A 80 -12.530 -9.014 20.737 1.00 24.14 H new ATOM 0 HA PHE A 80 -14.496 -10.246 22.371 1.00 33.14 H new ATOM 0 HB2 PHE A 80 -14.381 -9.899 19.797 1.00 73.24 H new ATOM 0 HB3 PHE A 80 -13.371 -11.331 19.774 1.00 73.24 H new ATOM 0 HD1 PHE A 80 -16.706 -10.113 20.921 1.00 32.42 H new ATOM 0 HD2 PHE A 80 -14.350 -13.460 19.744 1.00 24.50 H new ATOM 0 HE1 PHE A 80 -18.714 -11.529 20.933 1.00 11.13 H new ATOM 0 HE2 PHE A 80 -16.356 -14.879 19.754 1.00 52.10 H new ATOM 0 HZ PHE A 80 -18.544 -13.914 20.344 1.00 3.11 H new ATOM 1244 N VAL A 81 -11.792 -12.046 21.707 1.00 14.42 N ATOM 1245 CA VAL A 81 -10.997 -13.176 22.172 1.00 41.25 C ATOM 1246 C VAL A 81 -10.544 -12.974 23.613 1.00 3.40 C ATOM 1247 O VAL A 81 -10.344 -13.937 24.354 1.00 3.53 O ATOM 1248 CB VAL A 81 -9.759 -13.394 21.282 1.00 61.24 C ATOM 1249 CG1 VAL A 81 -10.165 -13.510 19.820 1.00 32.44 C ATOM 1250 CG2 VAL A 81 -8.757 -12.266 21.477 1.00 72.01 C ATOM 0 H VAL A 81 -11.413 -11.572 20.887 1.00 14.42 H new ATOM 0 HA VAL A 81 -11.636 -14.057 22.116 1.00 41.25 H new ATOM 0 HB VAL A 81 -9.282 -14.329 21.577 1.00 61.24 H new ATOM 0 HG11 VAL A 81 -9.277 -13.664 19.207 1.00 32.44 H new ATOM 0 HG12 VAL A 81 -10.842 -14.355 19.696 1.00 32.44 H new ATOM 0 HG13 VAL A 81 -10.667 -12.594 19.508 1.00 32.44 H new ATOM 0 HG21 VAL A 81 -7.889 -12.437 20.840 1.00 72.01 H new ATOM 0 HG22 VAL A 81 -9.221 -11.317 21.210 1.00 72.01 H new ATOM 0 HG23 VAL A 81 -8.442 -12.236 22.520 1.00 72.01 H new ATOM 1260 N THR A 82 -10.383 -11.714 24.006 1.00 15.31 N ATOM 1261 CA THR A 82 -9.953 -11.384 25.359 1.00 54.10 C ATOM 1262 C THR A 82 -10.981 -11.838 26.389 1.00 74.22 C ATOM 1263 O THR A 82 -10.685 -12.662 27.255 1.00 33.21 O ATOM 1264 CB THR A 82 -9.716 -9.870 25.520 1.00 75.40 C ATOM 1265 OG1 THR A 82 -8.422 -9.521 25.017 1.00 53.14 O ATOM 1266 CG2 THR A 82 -9.827 -9.458 26.980 1.00 42.30 C ATOM 0 H THR A 82 -10.544 -10.905 23.406 1.00 15.31 H new ATOM 0 HA THR A 82 -9.014 -11.911 25.529 1.00 54.10 H new ATOM 0 HB THR A 82 -10.481 -9.342 24.951 1.00 75.40 H new ATOM 0 HG1 THR A 82 -8.470 -9.403 24.045 1.00 53.14 H new ATOM 0 HG21 THR A 82 -9.656 -8.385 27.069 1.00 42.30 H new ATOM 0 HG22 THR A 82 -10.823 -9.699 27.351 1.00 42.30 H new ATOM 0 HG23 THR A 82 -9.082 -9.994 27.567 1.00 42.30 H new ATOM 1274 N LEU A 83 -12.191 -11.297 26.289 1.00 25.01 N ATOM 1275 CA LEU A 83 -13.264 -11.648 27.212 1.00 12.34 C ATOM 1276 C LEU A 83 -13.619 -13.127 27.099 1.00 43.13 C ATOM 1277 O LEU A 83 -14.145 -13.723 28.038 1.00 24.53 O ATOM 1278 CB LEU A 83 -14.502 -10.792 26.935 1.00 24.23 C ATOM 1279 CG LEU A 83 -14.289 -9.278 26.955 1.00 20.12 C ATOM 1280 CD1 LEU A 83 -15.535 -8.558 26.464 1.00 1.40 C ATOM 1281 CD2 LEU A 83 -13.917 -8.810 28.355 1.00 62.24 C ATOM 0 H LEU A 83 -12.453 -10.614 25.578 1.00 25.01 H new ATOM 0 HA LEU A 83 -12.915 -11.454 28.226 1.00 12.34 H new ATOM 0 HB2 LEU A 83 -14.900 -11.070 25.959 1.00 24.23 H new ATOM 0 HB3 LEU A 83 -15.264 -11.041 27.673 1.00 24.23 H new ATOM 0 HG LEU A 83 -13.466 -9.037 26.282 1.00 20.12 H new ATOM 0 HD11 LEU A 83 -15.365 -7.482 26.485 1.00 1.40 H new ATOM 0 HD12 LEU A 83 -15.757 -8.870 25.444 1.00 1.40 H new ATOM 0 HD13 LEU A 83 -16.377 -8.805 27.111 1.00 1.40 H new ATOM 0 HD21 LEU A 83 -13.769 -7.730 28.350 1.00 62.24 H new ATOM 0 HD22 LEU A 83 -14.719 -9.064 29.048 1.00 62.24 H new ATOM 0 HD23 LEU A 83 -12.996 -9.301 28.670 1.00 62.24 H new ATOM 1293 N SER A 84 -13.325 -13.713 25.943 1.00 72.35 N ATOM 1294 CA SER A 84 -13.614 -15.123 25.705 1.00 14.22 C ATOM 1295 C SER A 84 -12.779 -16.011 26.623 1.00 52.43 C ATOM 1296 O SER A 84 -13.306 -16.900 27.292 1.00 12.30 O ATOM 1297 CB SER A 84 -13.342 -15.482 24.243 1.00 12.21 C ATOM 1298 OG SER A 84 -14.531 -15.890 23.589 1.00 61.34 O ATOM 0 H SER A 84 -12.887 -13.234 25.156 1.00 72.35 H new ATOM 0 HA SER A 84 -14.668 -15.294 25.923 1.00 14.22 H new ATOM 0 HB2 SER A 84 -12.916 -14.621 23.727 1.00 12.21 H new ATOM 0 HB3 SER A 84 -12.603 -16.282 24.193 1.00 12.21 H new ATOM 0 HG SER A 84 -14.331 -16.112 22.656 1.00 61.34 H new ATOM 1304 N ILE A 85 -11.474 -15.763 26.648 1.00 50.32 N ATOM 1305 CA ILE A 85 -10.566 -16.538 27.483 1.00 24.22 C ATOM 1306 C ILE A 85 -10.846 -16.305 28.964 1.00 73.32 C ATOM 1307 O ILE A 85 -10.530 -17.145 29.806 1.00 23.14 O ATOM 1308 CB ILE A 85 -9.095 -16.189 27.190 1.00 45.10 C ATOM 1309 CG1 ILE A 85 -8.757 -16.491 25.728 1.00 34.04 C ATOM 1310 CG2 ILE A 85 -8.171 -16.959 28.122 1.00 33.03 C ATOM 1311 CD1 ILE A 85 -7.874 -15.446 25.084 1.00 60.03 C ATOM 0 H ILE A 85 -11.022 -15.031 26.099 1.00 50.32 H new ATOM 0 HA ILE A 85 -10.737 -17.588 27.244 1.00 24.22 H new ATOM 0 HB ILE A 85 -8.949 -15.123 27.365 1.00 45.10 H new ATOM 0 HG12 ILE A 85 -8.261 -17.460 25.671 1.00 34.04 H new ATOM 0 HG13 ILE A 85 -9.683 -16.573 25.159 1.00 34.04 H new ATOM 0 HG21 ILE A 85 -7.135 -16.701 27.902 1.00 33.03 H new ATOM 0 HG22 ILE A 85 -8.398 -16.699 29.156 1.00 33.03 H new ATOM 0 HG23 ILE A 85 -8.317 -18.029 27.977 1.00 33.03 H new ATOM 0 HD11 ILE A 85 -7.675 -15.725 24.049 1.00 60.03 H new ATOM 0 HD12 ILE A 85 -8.377 -14.479 25.109 1.00 60.03 H new ATOM 0 HD13 ILE A 85 -6.932 -15.379 25.629 1.00 60.03 H new ATOM 1323 N VAL A 86 -11.445 -15.160 29.274 1.00 4.40 N ATOM 1324 CA VAL A 86 -11.772 -14.817 30.653 1.00 45.30 C ATOM 1325 C VAL A 86 -13.076 -15.475 31.089 1.00 42.05 C ATOM 1326 O VAL A 86 -13.160 -16.050 32.174 1.00 12.02 O ATOM 1327 CB VAL A 86 -11.891 -13.292 30.839 1.00 74.40 C ATOM 1328 CG1 VAL A 86 -12.969 -12.962 31.860 1.00 33.10 C ATOM 1329 CG2 VAL A 86 -10.553 -12.700 31.254 1.00 51.24 C ATOM 0 H VAL A 86 -11.714 -14.454 28.589 1.00 4.40 H new ATOM 0 HA VAL A 86 -10.956 -15.189 31.273 1.00 45.30 H new ATOM 0 HB VAL A 86 -12.178 -12.848 29.886 1.00 74.40 H new ATOM 0 HG11 VAL A 86 -13.039 -11.881 31.979 1.00 33.10 H new ATOM 0 HG12 VAL A 86 -13.927 -13.352 31.517 1.00 33.10 H new ATOM 0 HG13 VAL A 86 -12.714 -13.416 32.818 1.00 33.10 H new ATOM 0 HG21 VAL A 86 -10.656 -11.622 31.381 1.00 51.24 H new ATOM 0 HG22 VAL A 86 -10.233 -13.147 32.195 1.00 51.24 H new ATOM 0 HG23 VAL A 86 -9.810 -12.905 30.484 1.00 51.24 H new ATOM 1339 N ILE A 87 -14.090 -15.387 30.235 1.00 72.10 N ATOM 1340 CA ILE A 87 -15.390 -15.976 30.531 1.00 14.22 C ATOM 1341 C ILE A 87 -15.351 -17.494 30.394 1.00 43.14 C ATOM 1342 O ILE A 87 -16.126 -18.207 31.031 1.00 31.41 O ATOM 1343 CB ILE A 87 -16.486 -15.416 29.605 1.00 71.01 C ATOM 1344 CG1 ILE A 87 -16.677 -13.918 29.852 1.00 61.12 C ATOM 1345 CG2 ILE A 87 -17.793 -16.164 29.818 1.00 33.44 C ATOM 1346 CD1 ILE A 87 -17.102 -13.588 31.266 1.00 61.15 C ATOM 0 H ILE A 87 -14.036 -14.914 29.333 1.00 72.10 H new ATOM 0 HA ILE A 87 -15.627 -15.713 31.562 1.00 14.22 H new ATOM 0 HB ILE A 87 -16.174 -15.558 28.570 1.00 71.01 H new ATOM 0 HG12 ILE A 87 -15.744 -13.400 29.631 1.00 61.12 H new ATOM 0 HG13 ILE A 87 -17.425 -13.536 29.158 1.00 61.12 H new ATOM 0 HG21 ILE A 87 -18.557 -15.756 29.156 1.00 33.44 H new ATOM 0 HG22 ILE A 87 -17.647 -17.221 29.596 1.00 33.44 H new ATOM 0 HG23 ILE A 87 -18.112 -16.051 30.854 1.00 33.44 H new ATOM 0 HD11 ILE A 87 -17.218 -12.509 31.369 1.00 61.15 H new ATOM 0 HD12 ILE A 87 -18.051 -14.078 31.484 1.00 61.15 H new ATOM 0 HD13 ILE A 87 -16.343 -13.939 31.965 1.00 61.15 H new ATOM 1358 N THR A 88 -14.440 -17.983 29.558 1.00 71.44 N ATOM 1359 CA THR A 88 -14.298 -19.417 29.336 1.00 0.22 C ATOM 1360 C THR A 88 -13.699 -20.105 30.557 1.00 30.05 C ATOM 1361 O THR A 88 -14.200 -21.134 31.011 1.00 61.34 O ATOM 1362 CB THR A 88 -13.413 -19.711 28.110 1.00 53.10 C ATOM 1363 OG1 THR A 88 -14.143 -19.449 26.906 1.00 65.12 O ATOM 1364 CG2 THR A 88 -12.940 -21.157 28.118 1.00 13.32 C ATOM 0 H THR A 88 -13.790 -17.407 29.024 1.00 71.44 H new ATOM 0 HA THR A 88 -15.299 -19.809 29.155 1.00 0.22 H new ATOM 0 HB THR A 88 -12.540 -19.060 28.155 1.00 53.10 H new ATOM 0 HG1 THR A 88 -14.074 -18.497 26.682 1.00 65.12 H new ATOM 0 HG21 THR A 88 -12.317 -21.341 27.243 1.00 13.32 H new ATOM 0 HG22 THR A 88 -12.361 -21.345 29.022 1.00 13.32 H new ATOM 0 HG23 THR A 88 -13.803 -21.822 28.095 1.00 13.32 H new ATOM 1372 N VAL A 89 -12.624 -19.530 31.087 1.00 10.03 N ATOM 1373 CA VAL A 89 -11.958 -20.087 32.258 1.00 24.42 C ATOM 1374 C VAL A 89 -12.838 -19.975 33.497 1.00 13.45 C ATOM 1375 O VAL A 89 -12.740 -20.786 34.418 1.00 20.11 O ATOM 1376 CB VAL A 89 -10.616 -19.382 32.529 1.00 3.54 C ATOM 1377 CG1 VAL A 89 -9.659 -19.586 31.364 1.00 35.13 C ATOM 1378 CG2 VAL A 89 -10.838 -17.900 32.794 1.00 45.01 C ATOM 0 H VAL A 89 -12.196 -18.678 30.724 1.00 10.03 H new ATOM 0 HA VAL A 89 -11.770 -21.139 32.044 1.00 24.42 H new ATOM 0 HB VAL A 89 -10.166 -19.824 33.418 1.00 3.54 H new ATOM 0 HG11 VAL A 89 -8.717 -19.080 31.574 1.00 35.13 H new ATOM 0 HG12 VAL A 89 -9.476 -20.652 31.226 1.00 35.13 H new ATOM 0 HG13 VAL A 89 -10.098 -19.172 30.456 1.00 35.13 H new ATOM 0 HG21 VAL A 89 -9.880 -17.417 32.984 1.00 45.01 H new ATOM 0 HG22 VAL A 89 -11.310 -17.442 31.925 1.00 45.01 H new ATOM 0 HG23 VAL A 89 -11.484 -17.779 33.664 1.00 45.01 H new ATOM 1388 N PHE A 90 -13.700 -18.963 33.514 1.00 2.02 N ATOM 1389 CA PHE A 90 -14.599 -18.743 34.641 1.00 21.01 C ATOM 1390 C PHE A 90 -15.614 -19.876 34.756 1.00 21.53 C ATOM 1391 O PHE A 90 -15.670 -20.574 35.769 1.00 34.01 O ATOM 1392 CB PHE A 90 -15.326 -17.406 34.487 1.00 11.32 C ATOM 1393 CG PHE A 90 -14.877 -16.362 35.470 1.00 63.33 C ATOM 1394 CD1 PHE A 90 -14.959 -16.595 36.833 1.00 11.32 C ATOM 1395 CD2 PHE A 90 -14.371 -15.150 35.030 1.00 13.50 C ATOM 1396 CE1 PHE A 90 -14.547 -15.636 37.739 1.00 21.04 C ATOM 1397 CE2 PHE A 90 -13.957 -14.187 35.932 1.00 72.15 C ATOM 1398 CZ PHE A 90 -14.044 -14.431 37.288 1.00 32.30 C ATOM 0 H PHE A 90 -13.795 -18.283 32.760 1.00 2.02 H new ATOM 0 HA PHE A 90 -14.001 -18.721 35.552 1.00 21.01 H new ATOM 0 HB2 PHE A 90 -15.171 -17.032 33.475 1.00 11.32 H new ATOM 0 HB3 PHE A 90 -16.397 -17.568 34.606 1.00 11.32 H new ATOM 0 HD1 PHE A 90 -15.349 -17.536 37.192 1.00 11.32 H new ATOM 0 HD2 PHE A 90 -14.299 -14.955 33.970 1.00 13.50 H new ATOM 0 HE1 PHE A 90 -14.618 -15.829 38.799 1.00 21.04 H new ATOM 0 HE2 PHE A 90 -13.566 -13.245 35.576 1.00 72.15 H new ATOM 0 HZ PHE A 90 -13.720 -13.681 37.995 1.00 32.30 H new ATOM 1408 N VAL A 91 -16.415 -20.054 33.711 1.00 53.34 N ATOM 1409 CA VAL A 91 -17.429 -21.102 33.693 1.00 44.01 C ATOM 1410 C VAL A 91 -16.821 -22.459 34.031 1.00 54.11 C ATOM 1411 O VAL A 91 -17.435 -23.271 34.725 1.00 12.40 O ATOM 1412 CB VAL A 91 -18.122 -21.190 32.320 1.00 3.53 C ATOM 1413 CG1 VAL A 91 -17.091 -21.309 31.208 1.00 20.51 C ATOM 1414 CG2 VAL A 91 -19.092 -22.361 32.288 1.00 51.44 C ATOM 0 H VAL A 91 -16.382 -19.486 32.865 1.00 53.34 H new ATOM 0 HA VAL A 91 -18.169 -20.839 34.449 1.00 44.01 H new ATOM 0 HB VAL A 91 -18.690 -20.274 32.159 1.00 3.53 H new ATOM 0 HG11 VAL A 91 -17.599 -21.370 30.246 1.00 20.51 H new ATOM 0 HG12 VAL A 91 -16.440 -20.435 31.220 1.00 20.51 H new ATOM 0 HG13 VAL A 91 -16.494 -22.208 31.360 1.00 20.51 H new ATOM 0 HG21 VAL A 91 -19.573 -22.409 31.311 1.00 51.44 H new ATOM 0 HG22 VAL A 91 -18.549 -23.288 32.471 1.00 51.44 H new ATOM 0 HG23 VAL A 91 -19.850 -22.227 33.059 1.00 51.44 H new ATOM 1424 N LEU A 92 -15.612 -22.699 33.537 1.00 71.34 N ATOM 1425 CA LEU A 92 -14.920 -23.959 33.786 1.00 1.15 C ATOM 1426 C LEU A 92 -14.346 -23.994 35.199 1.00 2.22 C ATOM 1427 O LEU A 92 -14.178 -25.062 35.785 1.00 33.33 O ATOM 1428 CB LEU A 92 -13.800 -24.160 32.764 1.00 54.04 C ATOM 1429 CG LEU A 92 -13.012 -25.465 32.879 1.00 31.11 C ATOM 1430 CD1 LEU A 92 -12.640 -25.988 31.500 1.00 13.13 C ATOM 1431 CD2 LEU A 92 -11.766 -25.262 33.729 1.00 61.25 C ATOM 0 H LEU A 92 -15.090 -22.038 32.962 1.00 71.34 H new ATOM 0 HA LEU A 92 -15.644 -24.768 33.686 1.00 1.15 H new ATOM 0 HB2 LEU A 92 -14.233 -24.108 31.765 1.00 54.04 H new ATOM 0 HB3 LEU A 92 -13.101 -23.328 32.852 1.00 54.04 H new ATOM 0 HG LEU A 92 -13.644 -26.207 33.367 1.00 31.11 H new ATOM 0 HD11 LEU A 92 -12.080 -26.917 31.602 1.00 13.13 H new ATOM 0 HD12 LEU A 92 -13.547 -26.173 30.924 1.00 13.13 H new ATOM 0 HD13 LEU A 92 -12.027 -25.249 30.984 1.00 13.13 H new ATOM 0 HD21 LEU A 92 -11.217 -26.201 33.800 1.00 61.25 H new ATOM 0 HD22 LEU A 92 -11.131 -24.505 33.269 1.00 61.25 H new ATOM 0 HD23 LEU A 92 -12.056 -24.935 34.727 1.00 61.25 H new ATOM 1443 N ASN A 93 -14.048 -22.817 35.741 1.00 71.13 N ATOM 1444 CA ASN A 93 -13.494 -22.713 37.086 1.00 54.11 C ATOM 1445 C ASN A 93 -14.472 -23.262 38.121 1.00 40.14 C ATOM 1446 O ASN A 93 -14.076 -23.951 39.061 1.00 62.14 O ATOM 1447 CB ASN A 93 -13.157 -21.256 37.409 1.00 24.14 C ATOM 1448 CG ASN A 93 -11.667 -21.033 37.585 1.00 61.31 C ATOM 1449 OD1 ASN A 93 -11.094 -21.376 38.619 1.00 32.43 O ATOM 1450 ND2 ASN A 93 -11.032 -20.456 36.572 1.00 41.53 N ATOM 0 H ASN A 93 -14.181 -21.922 35.269 1.00 71.13 H new ATOM 0 HA ASN A 93 -12.581 -23.307 37.124 1.00 54.11 H new ATOM 0 HB2 ASN A 93 -13.526 -20.615 36.609 1.00 24.14 H new ATOM 0 HB3 ASN A 93 -13.676 -20.959 38.320 1.00 24.14 H new ATOM 0 HD21 ASN A 93 -10.029 -20.281 36.632 1.00 41.53 H new ATOM 0 HD22 ASN A 93 -11.547 -20.188 35.733 1.00 41.53 H new ATOM 1457 N VAL A 94 -15.752 -22.952 37.940 1.00 0.23 N ATOM 1458 CA VAL A 94 -16.787 -23.415 38.857 1.00 72.14 C ATOM 1459 C VAL A 94 -16.592 -22.826 40.249 1.00 14.11 C ATOM 1460 O VAL A 94 -15.468 -22.727 40.742 1.00 71.52 O ATOM 1461 CB VAL A 94 -16.800 -24.952 38.959 1.00 44.04 C ATOM 1462 CG1 VAL A 94 -17.266 -25.392 40.338 1.00 52.02 C ATOM 1463 CG2 VAL A 94 -17.681 -25.550 37.873 1.00 63.55 C ATOM 0 H VAL A 94 -16.097 -22.383 37.167 1.00 0.23 H new ATOM 0 HA VAL A 94 -17.741 -23.077 38.453 1.00 72.14 H new ATOM 0 HB VAL A 94 -15.784 -25.317 38.812 1.00 44.04 H new ATOM 0 HG11 VAL A 94 -17.269 -26.481 40.391 1.00 52.02 H new ATOM 0 HG12 VAL A 94 -16.590 -24.994 41.095 1.00 52.02 H new ATOM 0 HG13 VAL A 94 -18.274 -25.018 40.518 1.00 52.02 H new ATOM 0 HG21 VAL A 94 -17.679 -26.637 37.960 1.00 63.55 H new ATOM 0 HG22 VAL A 94 -18.700 -25.179 37.986 1.00 63.55 H new ATOM 0 HG23 VAL A 94 -17.297 -25.263 36.894 1.00 63.55 H new ATOM 1644 N GLY A 108 -25.576 -28.930 24.666 1.00 11.35 N ATOM 1645 CA GLY A 108 -25.404 -28.330 23.356 1.00 12.43 C ATOM 1646 C GLY A 108 -24.581 -27.058 23.405 1.00 43.04 C ATOM 1647 O GLY A 108 -24.608 -26.257 22.470 1.00 54.02 O ATOM 0 HA2 GLY A 108 -24.921 -29.047 22.692 1.00 12.43 H new ATOM 0 HA3 GLY A 108 -26.383 -28.110 22.929 1.00 12.43 H new ATOM 1651 N ILE A 109 -23.847 -26.871 24.497 1.00 55.12 N ATOM 1652 CA ILE A 109 -23.013 -25.687 24.663 1.00 74.21 C ATOM 1653 C ILE A 109 -21.760 -25.773 23.799 1.00 4.40 C ATOM 1654 O ILE A 109 -21.258 -24.759 23.313 1.00 1.21 O ATOM 1655 CB ILE A 109 -22.598 -25.493 26.133 1.00 1.11 C ATOM 1656 CG1 ILE A 109 -23.833 -25.471 27.036 1.00 1.01 C ATOM 1657 CG2 ILE A 109 -21.796 -24.210 26.292 1.00 50.22 C ATOM 1658 CD1 ILE A 109 -23.502 -25.426 28.511 1.00 21.15 C ATOM 0 H ILE A 109 -23.813 -27.524 25.280 1.00 55.12 H new ATOM 0 HA ILE A 109 -23.611 -24.832 24.347 1.00 74.21 H new ATOM 0 HB ILE A 109 -21.968 -26.331 26.431 1.00 1.11 H new ATOM 0 HG12 ILE A 109 -24.443 -24.604 26.782 1.00 1.01 H new ATOM 0 HG13 ILE A 109 -24.437 -26.356 26.834 1.00 1.01 H new ATOM 0 HG21 ILE A 109 -21.510 -24.087 27.337 1.00 50.22 H new ATOM 0 HG22 ILE A 109 -20.900 -24.262 25.674 1.00 50.22 H new ATOM 0 HG23 ILE A 109 -22.403 -23.360 25.979 1.00 50.22 H new ATOM 0 HD11 ILE A 109 -24.425 -25.412 29.091 1.00 21.15 H new ATOM 0 HD12 ILE A 109 -22.918 -26.306 28.780 1.00 21.15 H new ATOM 0 HD13 ILE A 109 -22.925 -24.527 28.727 1.00 21.15 H new ATOM 1670 N ASP A 110 -21.260 -26.989 23.611 1.00 45.24 N ATOM 1671 CA ASP A 110 -20.066 -27.208 22.803 1.00 44.25 C ATOM 1672 C ASP A 110 -20.359 -26.971 21.324 1.00 21.03 C ATOM 1673 O ASP A 110 -19.624 -26.256 20.642 1.00 32.43 O ATOM 1674 CB ASP A 110 -19.537 -28.628 23.009 1.00 33.23 C ATOM 1675 CG ASP A 110 -18.266 -28.659 23.835 1.00 40.44 C ATOM 1676 OD1 ASP A 110 -18.070 -27.738 24.655 1.00 23.33 O ATOM 1677 OD2 ASP A 110 -17.467 -29.602 23.659 1.00 23.33 O ATOM 0 H ASP A 110 -21.663 -27.838 24.007 1.00 45.24 H new ATOM 0 HA ASP A 110 -19.306 -26.496 23.123 1.00 44.25 H new ATOM 0 HB2 ASP A 110 -20.301 -29.229 23.501 1.00 33.23 H new ATOM 0 HB3 ASP A 110 -19.347 -29.086 22.038 1.00 33.23 H new ATOM 1682 N ARG A 111 -21.436 -27.576 20.836 1.00 74.42 N ATOM 1683 CA ARG A 111 -21.825 -27.433 19.438 1.00 34.30 C ATOM 1684 C ARG A 111 -22.059 -25.967 19.086 1.00 2.01 C ATOM 1685 O ARG A 111 -21.624 -25.494 18.035 1.00 35.13 O ATOM 1686 CB ARG A 111 -23.090 -28.245 19.153 1.00 55.21 C ATOM 1687 CG ARG A 111 -24.244 -27.924 20.090 1.00 63.33 C ATOM 1688 CD ARG A 111 -25.418 -28.866 19.870 1.00 3.34 C ATOM 1689 NE ARG A 111 -26.395 -28.314 18.936 1.00 43.42 N ATOM 1690 CZ ARG A 111 -27.604 -28.829 18.747 1.00 33.31 C ATOM 1691 NH1 ARG A 111 -27.984 -29.904 19.425 1.00 4.44 N ATOM 1692 NH2 ARG A 111 -28.437 -28.270 17.879 1.00 73.01 N ATOM 0 H ARG A 111 -22.055 -28.170 21.388 1.00 74.42 H new ATOM 0 HA ARG A 111 -21.011 -27.812 18.820 1.00 34.30 H new ATOM 0 HB2 ARG A 111 -23.405 -28.062 18.126 1.00 55.21 H new ATOM 0 HB3 ARG A 111 -22.855 -29.307 19.230 1.00 55.21 H new ATOM 0 HG2 ARG A 111 -23.906 -27.997 21.124 1.00 63.33 H new ATOM 0 HG3 ARG A 111 -24.567 -26.895 19.932 1.00 63.33 H new ATOM 0 HD2 ARG A 111 -25.051 -29.819 19.490 1.00 3.34 H new ATOM 0 HD3 ARG A 111 -25.904 -29.069 20.824 1.00 3.34 H new ATOM 0 HE ARG A 111 -26.134 -27.487 18.399 1.00 43.42 H new ATOM 0 HH11 ARG A 111 -27.347 -30.337 20.093 1.00 4.44 H new ATOM 0 HH12 ARG A 111 -28.913 -30.298 19.278 1.00 4.44 H new ATOM 0 HH21 ARG A 111 -28.149 -27.443 17.356 1.00 73.01 H new ATOM 0 HH22 ARG A 111 -29.365 -28.667 17.735 1.00 73.01 H new ATOM 1706 N ILE A 112 -22.747 -25.254 19.971 1.00 0.20 N ATOM 1707 CA ILE A 112 -23.037 -23.842 19.754 1.00 72.03 C ATOM 1708 C ILE A 112 -21.785 -22.990 19.932 1.00 54.32 C ATOM 1709 O ILE A 112 -21.615 -21.970 19.263 1.00 70.21 O ATOM 1710 CB ILE A 112 -24.129 -23.337 20.715 1.00 33.33 C ATOM 1711 CG1 ILE A 112 -25.455 -24.047 20.433 1.00 12.05 C ATOM 1712 CG2 ILE A 112 -24.292 -21.830 20.588 1.00 4.01 C ATOM 1713 CD1 ILE A 112 -25.982 -23.810 19.036 1.00 53.14 C ATOM 0 H ILE A 112 -23.114 -25.631 20.845 1.00 0.20 H new ATOM 0 HA ILE A 112 -23.395 -23.748 18.729 1.00 72.03 H new ATOM 0 HB ILE A 112 -23.826 -23.565 21.737 1.00 33.33 H new ATOM 0 HG12 ILE A 112 -25.324 -25.118 20.586 1.00 12.05 H new ATOM 0 HG13 ILE A 112 -26.199 -23.710 21.155 1.00 12.05 H new ATOM 0 HG21 ILE A 112 -25.068 -21.489 21.274 1.00 4.01 H new ATOM 0 HG22 ILE A 112 -23.350 -21.340 20.833 1.00 4.01 H new ATOM 0 HG23 ILE A 112 -24.576 -21.580 19.566 1.00 4.01 H new ATOM 0 HD11 ILE A 112 -26.924 -24.343 18.907 1.00 53.14 H new ATOM 0 HD12 ILE A 112 -26.145 -22.743 18.885 1.00 53.14 H new ATOM 0 HD13 ILE A 112 -25.257 -24.173 18.307 1.00 53.14 H new ATOM 1725 N PHE A 113 -20.910 -23.415 20.837 1.00 35.11 N ATOM 1726 CA PHE A 113 -19.673 -22.691 21.103 1.00 24.51 C ATOM 1727 C PHE A 113 -18.872 -22.493 19.819 1.00 13.42 C ATOM 1728 O PHE A 113 -18.599 -21.362 19.413 1.00 73.30 O ATOM 1729 CB PHE A 113 -18.828 -23.445 22.133 1.00 42.24 C ATOM 1730 CG PHE A 113 -17.419 -22.935 22.240 1.00 30.14 C ATOM 1731 CD1 PHE A 113 -16.415 -23.460 21.442 1.00 14.13 C ATOM 1732 CD2 PHE A 113 -17.098 -21.932 23.140 1.00 14.44 C ATOM 1733 CE1 PHE A 113 -15.118 -22.993 21.539 1.00 50.23 C ATOM 1734 CE2 PHE A 113 -15.803 -21.460 23.241 1.00 70.31 C ATOM 1735 CZ PHE A 113 -14.811 -21.992 22.440 1.00 74.40 C ATOM 0 H PHE A 113 -21.035 -24.257 21.399 1.00 35.11 H new ATOM 0 HA PHE A 113 -19.933 -21.711 21.503 1.00 24.51 H new ATOM 0 HB2 PHE A 113 -19.308 -23.371 23.109 1.00 42.24 H new ATOM 0 HB3 PHE A 113 -18.804 -24.502 21.868 1.00 42.24 H new ATOM 0 HD1 PHE A 113 -16.649 -24.243 20.736 1.00 14.13 H new ATOM 0 HD2 PHE A 113 -17.869 -21.514 23.770 1.00 14.44 H new ATOM 0 HE1 PHE A 113 -14.345 -23.410 20.911 1.00 50.23 H new ATOM 0 HE2 PHE A 113 -15.567 -20.676 23.945 1.00 70.31 H new ATOM 0 HZ PHE A 113 -13.798 -21.626 22.518 1.00 74.40 H new ATOM 1745 N LEU A 114 -18.499 -23.598 19.185 1.00 24.41 N ATOM 1746 CA LEU A 114 -17.729 -23.547 17.947 1.00 23.41 C ATOM 1747 C LEU A 114 -18.543 -22.912 16.825 1.00 53.10 C ATOM 1748 O LEU A 114 -17.986 -22.362 15.875 1.00 71.11 O ATOM 1749 CB LEU A 114 -17.288 -24.954 17.539 1.00 21.20 C ATOM 1750 CG LEU A 114 -18.293 -25.760 16.715 1.00 1.11 C ATOM 1751 CD1 LEU A 114 -18.008 -25.608 15.229 1.00 70.41 C ATOM 1752 CD2 LEU A 114 -18.260 -27.227 17.119 1.00 11.44 C ATOM 0 H LEU A 114 -18.717 -24.541 19.507 1.00 24.41 H new ATOM 0 HA LEU A 114 -16.846 -22.933 18.123 1.00 23.41 H new ATOM 0 HB2 LEU A 114 -16.363 -24.872 16.968 1.00 21.20 H new ATOM 0 HB3 LEU A 114 -17.056 -25.517 18.443 1.00 21.20 H new ATOM 0 HG LEU A 114 -19.292 -25.372 16.914 1.00 1.11 H new ATOM 0 HD11 LEU A 114 -18.733 -26.188 14.658 1.00 70.41 H new ATOM 0 HD12 LEU A 114 -18.084 -24.557 14.950 1.00 70.41 H new ATOM 0 HD13 LEU A 114 -17.003 -25.969 15.012 1.00 70.41 H new ATOM 0 HD21 LEU A 114 -18.982 -27.785 16.522 1.00 11.44 H new ATOM 0 HD22 LEU A 114 -17.261 -27.629 16.950 1.00 11.44 H new ATOM 0 HD23 LEU A 114 -18.514 -27.319 18.175 1.00 11.44 H new ATOM 1764 N TRP A 115 -19.864 -22.990 16.943 1.00 42.41 N ATOM 1765 CA TRP A 115 -20.755 -22.420 15.939 1.00 15.31 C ATOM 1766 C TRP A 115 -20.673 -20.897 15.939 1.00 63.31 C ATOM 1767 O TRP A 115 -20.921 -20.254 14.920 1.00 44.51 O ATOM 1768 CB TRP A 115 -22.196 -22.864 16.196 1.00 73.43 C ATOM 1769 CG TRP A 115 -22.730 -23.787 15.142 1.00 42.12 C ATOM 1770 CD1 TRP A 115 -23.211 -25.051 15.327 1.00 72.52 C ATOM 1771 CD2 TRP A 115 -22.834 -23.517 13.740 1.00 41.14 C ATOM 1772 NE1 TRP A 115 -23.608 -25.584 14.124 1.00 53.00 N ATOM 1773 CE2 TRP A 115 -23.388 -24.662 13.135 1.00 71.20 C ATOM 1774 CE3 TRP A 115 -22.515 -22.419 12.936 1.00 11.13 C ATOM 1775 CZ2 TRP A 115 -23.628 -24.738 11.766 1.00 62.44 C ATOM 1776 CZ3 TRP A 115 -22.753 -22.496 11.577 1.00 33.24 C ATOM 1777 CH2 TRP A 115 -23.306 -23.649 11.003 1.00 1.30 C ATOM 0 H TRP A 115 -20.341 -23.442 17.723 1.00 42.41 H new ATOM 0 HA TRP A 115 -20.438 -22.782 14.961 1.00 15.31 H new ATOM 0 HB2 TRP A 115 -22.248 -23.361 17.165 1.00 73.43 H new ATOM 0 HB3 TRP A 115 -22.835 -21.983 16.255 1.00 73.43 H new ATOM 0 HD1 TRP A 115 -23.271 -25.558 16.279 1.00 72.52 H new ATOM 0 HE1 TRP A 115 -24.002 -26.515 13.989 1.00 53.00 H new ATOM 0 HE3 TRP A 115 -22.090 -21.526 13.369 1.00 11.13 H new ATOM 0 HZ2 TRP A 115 -24.054 -25.626 11.322 1.00 62.44 H new ATOM 0 HZ3 TRP A 115 -22.509 -21.654 10.947 1.00 33.24 H new ATOM 0 HH2 TRP A 115 -23.481 -23.678 9.938 1.00 1.30 H new ATOM 1788 N MET A 116 -20.322 -20.328 17.088 1.00 55.25 N ATOM 1789 CA MET A 116 -20.206 -18.880 17.218 1.00 40.01 C ATOM 1790 C MET A 116 -18.897 -18.383 16.613 1.00 62.31 C ATOM 1791 O MET A 116 -18.885 -17.439 15.823 1.00 74.12 O ATOM 1792 CB MET A 116 -20.289 -18.471 18.690 1.00 42.32 C ATOM 1793 CG MET A 116 -21.270 -17.339 18.952 1.00 63.53 C ATOM 1794 SD MET A 116 -20.457 -15.833 19.517 1.00 11.53 S ATOM 1795 CE MET A 116 -19.165 -15.663 18.288 1.00 13.32 C ATOM 0 H MET A 116 -20.113 -20.847 17.941 1.00 55.25 H new ATOM 0 HA MET A 116 -21.033 -18.424 16.674 1.00 40.01 H new ATOM 0 HB2 MET A 116 -20.580 -19.338 19.284 1.00 42.32 H new ATOM 0 HB3 MET A 116 -19.299 -18.169 19.031 1.00 42.32 H new ATOM 0 HG2 MET A 116 -21.826 -17.127 18.039 1.00 63.53 H new ATOM 0 HG3 MET A 116 -21.996 -17.658 19.700 1.00 63.53 H new ATOM 0 HE1 MET A 116 -18.785 -14.642 18.299 1.00 13.32 H new ATOM 0 HE2 MET A 116 -18.354 -16.355 18.515 1.00 13.32 H new ATOM 0 HE3 MET A 116 -19.569 -15.889 17.301 1.00 13.32 H new ATOM 1805 N PHE A 117 -17.795 -19.025 16.989 1.00 54.22 N ATOM 1806 CA PHE A 117 -16.481 -18.647 16.484 1.00 45.11 C ATOM 1807 C PHE A 117 -16.481 -18.583 14.959 1.00 12.14 C ATOM 1808 O PHE A 117 -15.914 -17.665 14.366 1.00 24.20 O ATOM 1809 CB PHE A 117 -15.421 -19.642 16.963 1.00 14.44 C ATOM 1810 CG PHE A 117 -14.957 -19.392 18.370 1.00 52.52 C ATOM 1811 CD1 PHE A 117 -15.817 -19.576 19.440 1.00 21.35 C ATOM 1812 CD2 PHE A 117 -13.661 -18.971 18.621 1.00 10.00 C ATOM 1813 CE1 PHE A 117 -15.393 -19.347 20.736 1.00 62.40 C ATOM 1814 CE2 PHE A 117 -13.231 -18.741 19.914 1.00 12.12 C ATOM 1815 CZ PHE A 117 -14.098 -18.928 20.973 1.00 74.21 C ATOM 0 H PHE A 117 -17.787 -19.809 17.641 1.00 54.22 H new ATOM 0 HA PHE A 117 -16.242 -17.657 16.872 1.00 45.11 H new ATOM 0 HB2 PHE A 117 -15.826 -20.652 16.896 1.00 14.44 H new ATOM 0 HB3 PHE A 117 -14.563 -19.597 16.292 1.00 14.44 H new ATOM 0 HD1 PHE A 117 -16.831 -19.902 19.260 1.00 21.35 H new ATOM 0 HD2 PHE A 117 -12.979 -18.821 17.797 1.00 10.00 H new ATOM 0 HE1 PHE A 117 -16.073 -19.495 21.562 1.00 62.40 H new ATOM 0 HE2 PHE A 117 -12.218 -18.415 20.096 1.00 12.12 H new ATOM 0 HZ PHE A 117 -13.764 -18.747 21.984 1.00 74.21 H new ATOM 1825 N ILE A 118 -17.121 -19.564 14.332 1.00 14.14 N ATOM 1826 CA ILE A 118 -17.197 -19.619 12.878 1.00 65.13 C ATOM 1827 C ILE A 118 -18.253 -18.657 12.345 1.00 43.21 C ATOM 1828 O ILE A 118 -18.209 -18.253 11.182 1.00 22.04 O ATOM 1829 CB ILE A 118 -17.519 -21.042 12.384 1.00 1.13 C ATOM 1830 CG1 ILE A 118 -18.911 -21.466 12.856 1.00 55.52 C ATOM 1831 CG2 ILE A 118 -16.466 -22.024 12.875 1.00 21.14 C ATOM 1832 CD1 ILE A 118 -19.296 -22.863 12.424 1.00 33.32 C ATOM 0 H ILE A 118 -17.594 -20.332 14.809 1.00 14.14 H new ATOM 0 HA ILE A 118 -16.218 -19.325 12.500 1.00 65.13 H new ATOM 0 HB ILE A 118 -17.509 -21.043 11.294 1.00 1.13 H new ATOM 0 HG12 ILE A 118 -18.951 -21.407 13.944 1.00 55.52 H new ATOM 0 HG13 ILE A 118 -19.647 -20.760 12.471 1.00 55.52 H new ATOM 0 HG21 ILE A 118 -16.707 -23.025 12.518 1.00 21.14 H new ATOM 0 HG22 ILE A 118 -15.488 -21.729 12.495 1.00 21.14 H new ATOM 0 HG23 ILE A 118 -16.447 -22.022 13.965 1.00 21.14 H new ATOM 0 HD11 ILE A 118 -20.294 -23.096 12.794 1.00 33.32 H new ATOM 0 HD12 ILE A 118 -19.289 -22.922 11.336 1.00 33.32 H new ATOM 0 HD13 ILE A 118 -18.582 -23.579 12.831 1.00 33.32 H new ATOM 1844 N ILE A 119 -19.200 -18.292 13.203 1.00 64.32 N ATOM 1845 CA ILE A 119 -20.265 -17.375 12.819 1.00 13.10 C ATOM 1846 C ILE A 119 -19.730 -15.960 12.625 1.00 63.41 C ATOM 1847 O ILE A 119 -20.229 -15.205 11.791 1.00 13.34 O ATOM 1848 CB ILE A 119 -21.390 -17.346 13.871 1.00 25.23 C ATOM 1849 CG1 ILE A 119 -22.690 -17.890 13.275 1.00 24.15 C ATOM 1850 CG2 ILE A 119 -21.591 -15.931 14.393 1.00 62.31 C ATOM 1851 CD1 ILE A 119 -23.468 -18.772 14.227 1.00 41.32 C ATOM 0 H ILE A 119 -19.251 -18.618 14.168 1.00 64.32 H new ATOM 0 HA ILE A 119 -20.670 -17.740 11.875 1.00 13.10 H new ATOM 0 HB ILE A 119 -21.102 -17.983 14.707 1.00 25.23 H new ATOM 0 HG12 ILE A 119 -23.319 -17.053 12.971 1.00 24.15 H new ATOM 0 HG13 ILE A 119 -22.458 -18.458 12.374 1.00 24.15 H new ATOM 0 HG21 ILE A 119 -22.389 -15.927 15.135 1.00 62.31 H new ATOM 0 HG22 ILE A 119 -20.667 -15.578 14.851 1.00 62.31 H new ATOM 0 HG23 ILE A 119 -21.861 -15.273 13.567 1.00 62.31 H new ATOM 0 HD11 ILE A 119 -24.377 -19.122 13.738 1.00 41.32 H new ATOM 0 HD12 ILE A 119 -22.857 -19.628 14.512 1.00 41.32 H new ATOM 0 HD13 ILE A 119 -23.731 -18.202 15.118 1.00 41.32 H new ATOM 1863 N VAL A 120 -18.708 -15.609 13.399 1.00 11.14 N ATOM 1864 CA VAL A 120 -18.102 -14.286 13.311 1.00 2.12 C ATOM 1865 C VAL A 120 -17.043 -14.238 12.215 1.00 33.50 C ATOM 1866 O VAL A 120 -16.810 -13.193 11.608 1.00 55.35 O ATOM 1867 CB VAL A 120 -17.459 -13.873 14.649 1.00 40.35 C ATOM 1868 CG1 VAL A 120 -18.525 -13.678 15.716 1.00 50.32 C ATOM 1869 CG2 VAL A 120 -16.435 -14.908 15.089 1.00 2.31 C ATOM 0 H VAL A 120 -18.282 -16.222 14.094 1.00 11.14 H new ATOM 0 HA VAL A 120 -18.903 -13.587 13.070 1.00 2.12 H new ATOM 0 HB VAL A 120 -16.944 -12.923 14.507 1.00 40.35 H new ATOM 0 HG11 VAL A 120 -18.052 -13.387 16.654 1.00 50.32 H new ATOM 0 HG12 VAL A 120 -19.217 -12.897 15.401 1.00 50.32 H new ATOM 0 HG13 VAL A 120 -19.071 -14.610 15.859 1.00 50.32 H new ATOM 0 HG21 VAL A 120 -15.991 -14.601 16.036 1.00 2.31 H new ATOM 0 HG22 VAL A 120 -16.925 -15.874 15.215 1.00 2.31 H new ATOM 0 HG23 VAL A 120 -15.655 -14.992 14.332 1.00 2.31 H new ATOM 1879 N CYS A 121 -16.405 -15.377 11.967 1.00 54.12 N ATOM 1880 CA CYS A 121 -15.370 -15.466 10.943 1.00 53.11 C ATOM 1881 C CYS A 121 -15.945 -15.170 9.562 1.00 72.25 C ATOM 1882 O CYS A 121 -15.387 -14.378 8.801 1.00 22.03 O ATOM 1883 CB CYS A 121 -14.729 -16.854 10.955 1.00 35.45 C ATOM 1884 SG CYS A 121 -13.605 -17.136 12.343 1.00 32.02 S ATOM 0 H CYS A 121 -16.586 -16.251 12.461 1.00 54.12 H new ATOM 0 HA CYS A 121 -14.607 -14.720 11.167 1.00 53.11 H new ATOM 0 HB2 CYS A 121 -15.517 -17.606 10.981 1.00 35.45 H new ATOM 0 HB3 CYS A 121 -14.182 -16.998 10.023 1.00 35.45 H new ATOM 0 HG CYS A 121 -14.295 -17.398 13.414 1.00 32.02 H new ATOM 1890 N LEU A 122 -17.063 -15.813 9.242 1.00 52.30 N ATOM 1891 CA LEU A 122 -17.714 -15.620 7.951 1.00 62.14 C ATOM 1892 C LEU A 122 -18.461 -14.291 7.910 1.00 10.11 C ATOM 1893 O LEU A 122 -18.239 -13.468 7.021 1.00 64.22 O ATOM 1894 CB LEU A 122 -18.681 -16.771 7.668 1.00 12.11 C ATOM 1895 CG LEU A 122 -18.531 -17.456 6.309 1.00 1.13 C ATOM 1896 CD1 LEU A 122 -18.826 -16.478 5.183 1.00 45.42 C ATOM 1897 CD2 LEU A 122 -17.134 -18.041 6.159 1.00 52.25 C ATOM 0 H LEU A 122 -17.537 -16.472 9.859 1.00 52.30 H new ATOM 0 HA LEU A 122 -16.942 -15.605 7.182 1.00 62.14 H new ATOM 0 HB2 LEU A 122 -18.557 -17.523 8.447 1.00 12.11 H new ATOM 0 HB3 LEU A 122 -19.700 -16.392 7.751 1.00 12.11 H new ATOM 0 HG LEU A 122 -19.253 -18.271 6.252 1.00 1.13 H new ATOM 0 HD11 LEU A 122 -18.714 -16.983 4.224 1.00 45.42 H new ATOM 0 HD12 LEU A 122 -19.846 -16.107 5.281 1.00 45.42 H new ATOM 0 HD13 LEU A 122 -18.129 -15.641 5.236 1.00 45.42 H new ATOM 0 HD21 LEU A 122 -17.045 -18.525 5.186 1.00 52.25 H new ATOM 0 HD22 LEU A 122 -16.395 -17.243 6.237 1.00 52.25 H new ATOM 0 HD23 LEU A 122 -16.960 -18.775 6.946 1.00 52.25 H new ATOM 1909 N LEU A 123 -19.346 -14.086 8.879 1.00 32.22 N ATOM 1910 CA LEU A 123 -20.125 -12.855 8.956 1.00 33.33 C ATOM 1911 C LEU A 123 -19.214 -11.632 8.936 1.00 73.11 C ATOM 1912 O LEU A 123 -19.359 -10.752 8.088 1.00 3.05 O ATOM 1913 CB LEU A 123 -20.980 -12.848 10.225 1.00 3.11 C ATOM 1914 CG LEU A 123 -21.795 -11.579 10.478 1.00 70.21 C ATOM 1915 CD1 LEU A 123 -20.974 -10.563 11.257 1.00 61.34 C ATOM 1916 CD2 LEU A 123 -22.276 -10.983 9.163 1.00 70.52 C ATOM 0 H LEU A 123 -19.542 -14.756 9.622 1.00 32.22 H new ATOM 0 HA LEU A 123 -20.778 -12.812 8.085 1.00 33.33 H new ATOM 0 HB2 LEU A 123 -21.666 -13.694 10.181 1.00 3.11 H new ATOM 0 HB3 LEU A 123 -20.325 -13.012 11.081 1.00 3.11 H new ATOM 0 HG LEU A 123 -22.668 -11.844 11.075 1.00 70.21 H new ATOM 0 HD11 LEU A 123 -21.571 -9.667 11.427 1.00 61.34 H new ATOM 0 HD12 LEU A 123 -20.680 -10.991 12.215 1.00 61.34 H new ATOM 0 HD13 LEU A 123 -20.082 -10.302 10.687 1.00 61.34 H new ATOM 0 HD21 LEU A 123 -22.854 -10.081 9.362 1.00 70.52 H new ATOM 0 HD22 LEU A 123 -21.417 -10.733 8.541 1.00 70.52 H new ATOM 0 HD23 LEU A 123 -22.902 -11.708 8.643 1.00 70.52 H new ATOM 1928 N GLY A 124 -18.274 -11.585 9.875 1.00 63.15 N ATOM 1929 CA GLY A 124 -17.351 -10.467 9.945 1.00 14.11 C ATOM 1930 C GLY A 124 -16.666 -10.196 8.620 1.00 12.04 C ATOM 1931 O GLY A 124 -16.533 -9.044 8.205 1.00 75.32 O ATOM 0 H GLY A 124 -18.135 -12.301 10.588 1.00 63.15 H new ATOM 0 HA2 GLY A 124 -17.890 -9.574 10.261 1.00 14.11 H new ATOM 0 HA3 GLY A 124 -16.597 -10.670 10.705 1.00 14.11 H new ATOM 1935 N THR A 125 -16.227 -11.260 7.954 1.00 12.44 N ATOM 1936 CA THR A 125 -15.549 -11.131 6.671 1.00 73.24 C ATOM 1937 C THR A 125 -16.450 -10.465 5.637 1.00 12.33 C ATOM 1938 O THR A 125 -16.081 -9.456 5.035 1.00 32.24 O ATOM 1939 CB THR A 125 -15.099 -12.503 6.134 1.00 42.13 C ATOM 1940 OG1 THR A 125 -14.075 -13.046 6.975 1.00 35.31 O ATOM 1941 CG2 THR A 125 -14.580 -12.382 4.709 1.00 62.32 C ATOM 0 H THR A 125 -16.329 -12.220 8.283 1.00 12.44 H new ATOM 0 HA THR A 125 -14.671 -10.508 6.839 1.00 73.24 H new ATOM 0 HB THR A 125 -15.961 -13.170 6.135 1.00 42.13 H new ATOM 0 HG1 THR A 125 -14.462 -13.726 7.565 1.00 35.31 H new ATOM 0 HG21 THR A 125 -14.268 -13.363 4.351 1.00 62.32 H new ATOM 0 HG22 THR A 125 -15.370 -11.995 4.066 1.00 62.32 H new ATOM 0 HG23 THR A 125 -13.729 -11.701 4.688 1.00 62.32 H new ATOM 1949 N VAL A 126 -17.635 -11.034 5.436 1.00 5.04 N ATOM 1950 CA VAL A 126 -18.590 -10.493 4.477 1.00 64.34 C ATOM 1951 C VAL A 126 -18.967 -9.058 4.826 1.00 71.13 C ATOM 1952 O VAL A 126 -18.889 -8.163 3.986 1.00 43.41 O ATOM 1953 CB VAL A 126 -19.869 -11.349 4.415 1.00 11.44 C ATOM 1954 CG1 VAL A 126 -20.993 -10.580 3.738 1.00 74.22 C ATOM 1955 CG2 VAL A 126 -19.599 -12.660 3.694 1.00 24.42 C ATOM 0 H VAL A 126 -17.956 -11.870 5.925 1.00 5.04 H new ATOM 0 HA VAL A 126 -18.103 -10.510 3.502 1.00 64.34 H new ATOM 0 HB VAL A 126 -20.181 -11.580 5.434 1.00 11.44 H new ATOM 0 HG11 VAL A 126 -21.889 -11.200 3.703 1.00 74.22 H new ATOM 0 HG12 VAL A 126 -21.203 -9.671 4.302 1.00 74.22 H new ATOM 0 HG13 VAL A 126 -20.694 -10.317 2.723 1.00 74.22 H new ATOM 0 HG21 VAL A 126 -20.514 -13.252 3.660 1.00 24.42 H new ATOM 0 HG22 VAL A 126 -19.262 -12.454 2.678 1.00 24.42 H new ATOM 0 HG23 VAL A 126 -18.827 -13.216 4.226 1.00 24.42 H new ATOM 1965 N GLY A 127 -19.377 -8.846 6.073 1.00 70.32 N ATOM 1966 CA GLY A 127 -19.760 -7.517 6.512 1.00 33.30 C ATOM 1967 C GLY A 127 -18.658 -6.498 6.306 1.00 44.04 C ATOM 1968 O GLY A 127 -18.927 -5.326 6.041 1.00 51.44 O ATOM 0 H GLY A 127 -19.451 -9.571 6.787 1.00 70.32 H new ATOM 0 HA2 GLY A 127 -20.650 -7.200 5.968 1.00 33.30 H new ATOM 0 HA3 GLY A 127 -20.027 -7.550 7.568 1.00 33.30 H new ATOM 1972 N LEU A 128 -17.412 -6.943 6.428 1.00 31.25 N ATOM 1973 CA LEU A 128 -16.263 -6.061 6.255 1.00 15.31 C ATOM 1974 C LEU A 128 -16.157 -5.584 4.810 1.00 4.43 C ATOM 1975 O LEU A 128 -15.818 -4.429 4.550 1.00 14.43 O ATOM 1976 CB LEU A 128 -14.977 -6.780 6.663 1.00 24.01 C ATOM 1977 CG LEU A 128 -13.693 -5.953 6.588 1.00 64.25 C ATOM 1978 CD1 LEU A 128 -13.897 -4.590 7.231 1.00 63.24 C ATOM 1979 CD2 LEU A 128 -12.542 -6.693 7.254 1.00 1.35 C ATOM 0 H LEU A 128 -17.172 -7.910 6.646 1.00 31.25 H new ATOM 0 HA LEU A 128 -16.403 -5.191 6.896 1.00 15.31 H new ATOM 0 HB2 LEU A 128 -15.094 -7.140 7.685 1.00 24.01 H new ATOM 0 HB3 LEU A 128 -14.858 -7.658 6.028 1.00 24.01 H new ATOM 0 HG LEU A 128 -13.442 -5.802 5.538 1.00 64.25 H new ATOM 0 HD11 LEU A 128 -12.973 -4.016 7.168 1.00 63.24 H new ATOM 0 HD12 LEU A 128 -14.692 -4.057 6.709 1.00 63.24 H new ATOM 0 HD13 LEU A 128 -14.173 -4.719 8.277 1.00 63.24 H new ATOM 0 HD21 LEU A 128 -11.637 -6.090 7.191 1.00 1.35 H new ATOM 0 HD22 LEU A 128 -12.784 -6.876 8.301 1.00 1.35 H new ATOM 0 HD23 LEU A 128 -12.380 -7.645 6.748 1.00 1.35 H new ATOM 1991 N PHE A 129 -16.449 -6.480 3.874 1.00 51.45 N ATOM 1992 CA PHE A 129 -16.387 -6.150 2.454 1.00 11.13 C ATOM 1993 C PHE A 129 -17.440 -5.107 2.092 1.00 41.41 C ATOM 1994 O PHE A 129 -17.272 -4.343 1.140 1.00 3.34 O ATOM 1995 CB PHE A 129 -16.587 -7.408 1.607 1.00 33.55 C ATOM 1996 CG PHE A 129 -15.301 -8.078 1.216 1.00 72.24 C ATOM 1997 CD1 PHE A 129 -14.326 -7.381 0.521 1.00 63.42 C ATOM 1998 CD2 PHE A 129 -15.068 -9.404 1.542 1.00 25.15 C ATOM 1999 CE1 PHE A 129 -13.142 -7.996 0.158 1.00 2.54 C ATOM 2000 CE2 PHE A 129 -13.885 -10.024 1.183 1.00 13.51 C ATOM 2001 CZ PHE A 129 -12.921 -9.318 0.491 1.00 42.21 C ATOM 0 H PHE A 129 -16.731 -7.440 4.072 1.00 51.45 H new ATOM 0 HA PHE A 129 -15.401 -5.733 2.246 1.00 11.13 H new ATOM 0 HB2 PHE A 129 -17.202 -8.116 2.162 1.00 33.55 H new ATOM 0 HB3 PHE A 129 -17.139 -7.145 0.705 1.00 33.55 H new ATOM 0 HD1 PHE A 129 -14.493 -6.346 0.260 1.00 63.42 H new ATOM 0 HD2 PHE A 129 -15.819 -9.960 2.083 1.00 25.15 H new ATOM 0 HE1 PHE A 129 -12.390 -7.443 -0.386 1.00 2.54 H new ATOM 0 HE2 PHE A 129 -13.716 -11.058 1.443 1.00 13.51 H new ATOM 0 HZ PHE A 129 -11.996 -9.799 0.211 1.00 42.21 H new