USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 825 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 11 THR OG1 : rot 124:sc= 2.15 USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 42 CYS SG : rot -170:sc= -0.359 USER MOD Set 2.2: A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 30:sc= -0.0443 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 92:sc= 1.27 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -137:sc= -0.162 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+ -114:sc= -0.105 (180deg=-0.559) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 89:sc= 0.281 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 69 SER OG : rot 33:sc= 0.404 USER MOD Single : A 75 MET CE :methyl 142:sc= -0.047 (180deg=-0.363) USER MOD Single : A 77 THR OG1 : rot 88:sc= 0.395 USER MOD Single : A 78 MET CE :methyl 144:sc= -0.122 (180deg=-1.88!) USER MOD Single : A 82 THR OG1 : rot 83:sc= 0.984 USER MOD Single : A 84 SER OG : rot 62:sc= 1.13 USER MOD Single : A 87 THR OG1 : rot 77:sc= 1.34 USER MOD Single : A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot -44:sc= -0.166 USER MOD Single : A 125 THR OG1 : rot 99:sc= 1.09 USER MOD Single : A 128 MET CE :methyl 138:sc=-0.00836 (180deg=-3.46!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 6 5.045 5.593 -10.432 1.00 71.55 N ATOM 56 CA GLU A 6 5.486 5.510 -11.820 1.00 31.51 C ATOM 57 C GLU A 6 4.970 6.697 -12.627 1.00 15.31 C ATOM 58 O GLU A 6 5.736 7.464 -13.210 1.00 61.14 O ATOM 59 CB GLU A 6 5.007 4.202 -12.453 1.00 74.32 C ATOM 60 CG GLU A 6 4.707 4.319 -13.938 1.00 70.53 C ATOM 61 CD GLU A 6 4.572 2.968 -14.614 1.00 75.11 C ATOM 62 OE1 GLU A 6 3.898 2.084 -14.045 1.00 21.21 O ATOM 63 OE2 GLU A 6 5.139 2.796 -15.713 1.00 63.41 O ATOM 0 HA GLU A 6 6.576 5.533 -11.830 1.00 31.51 H new ATOM 0 HB2 GLU A 6 5.768 3.436 -12.304 1.00 74.32 H new ATOM 0 HB3 GLU A 6 4.109 3.865 -11.935 1.00 74.32 H new ATOM 0 HG2 GLU A 6 3.785 4.884 -14.075 1.00 70.53 H new ATOM 0 HG3 GLU A 6 5.503 4.885 -14.422 1.00 70.53 H new ATOM 70 N PRO A 7 3.638 6.854 -12.662 1.00 51.11 N ATOM 71 CA PRO A 7 2.988 7.946 -13.394 1.00 25.31 C ATOM 72 C PRO A 7 3.229 9.304 -12.743 1.00 64.34 C ATOM 73 O PRO A 7 3.430 10.306 -13.431 1.00 23.13 O ATOM 74 CB PRO A 7 1.503 7.580 -13.333 1.00 24.52 C ATOM 75 CG PRO A 7 1.371 6.737 -12.111 1.00 61.35 C ATOM 76 CD PRO A 7 2.664 5.978 -11.990 1.00 13.12 C ATOM 0 HA PRO A 7 3.375 8.044 -14.408 1.00 25.31 H new ATOM 0 HB2 PRO A 7 0.878 8.471 -13.269 1.00 24.52 H new ATOM 0 HB3 PRO A 7 1.192 7.036 -14.225 1.00 24.52 H new ATOM 0 HG2 PRO A 7 1.196 7.353 -11.229 1.00 61.35 H new ATOM 0 HG3 PRO A 7 0.525 6.055 -12.197 1.00 61.35 H new ATOM 0 HD2 PRO A 7 2.932 5.804 -10.948 1.00 13.12 H new ATOM 0 HD3 PRO A 7 2.603 5.002 -12.471 1.00 13.12 H new ATOM 84 N LEU A 8 3.209 9.330 -11.415 1.00 53.24 N ATOM 85 CA LEU A 8 3.426 10.566 -10.671 1.00 53.14 C ATOM 86 C LEU A 8 4.842 11.090 -10.886 1.00 62.53 C ATOM 87 O LEU A 8 5.140 12.246 -10.588 1.00 53.52 O ATOM 88 CB LEU A 8 3.175 10.337 -9.180 1.00 1.32 C ATOM 89 CG LEU A 8 2.442 11.459 -8.443 1.00 21.44 C ATOM 90 CD1 LEU A 8 1.069 10.990 -7.988 1.00 75.12 C ATOM 91 CD2 LEU A 8 3.262 11.942 -7.255 1.00 65.34 C ATOM 0 H LEU A 8 3.045 8.510 -10.831 1.00 53.24 H new ATOM 0 HA LEU A 8 2.723 11.312 -11.041 1.00 53.14 H new ATOM 0 HB2 LEU A 8 2.600 9.418 -9.066 1.00 1.32 H new ATOM 0 HB3 LEU A 8 4.136 10.175 -8.691 1.00 1.32 H new ATOM 0 HG LEU A 8 2.310 12.294 -9.131 1.00 21.44 H new ATOM 0 HD11 LEU A 8 0.562 11.801 -7.466 1.00 75.12 H new ATOM 0 HD12 LEU A 8 0.480 10.693 -8.856 1.00 75.12 H new ATOM 0 HD13 LEU A 8 1.179 10.139 -7.316 1.00 75.12 H new ATOM 0 HD21 LEU A 8 2.725 12.740 -6.743 1.00 65.34 H new ATOM 0 HD22 LEU A 8 3.426 11.114 -6.565 1.00 65.34 H new ATOM 0 HD23 LEU A 8 4.223 12.318 -7.605 1.00 65.34 H new ATOM 103 N PHE A 9 5.712 10.231 -11.407 1.00 61.44 N ATOM 104 CA PHE A 9 7.098 10.607 -11.664 1.00 35.52 C ATOM 105 C PHE A 9 7.175 11.720 -12.704 1.00 3.31 C ATOM 106 O PHE A 9 8.125 12.503 -12.721 1.00 2.51 O ATOM 107 CB PHE A 9 7.898 9.392 -12.140 1.00 10.35 C ATOM 108 CG PHE A 9 9.348 9.440 -11.749 1.00 35.50 C ATOM 109 CD1 PHE A 9 10.252 10.192 -12.481 1.00 72.34 C ATOM 110 CD2 PHE A 9 9.806 8.732 -10.649 1.00 52.23 C ATOM 111 CE1 PHE A 9 11.586 10.236 -12.125 1.00 3.14 C ATOM 112 CE2 PHE A 9 11.139 8.773 -10.287 1.00 41.23 C ATOM 113 CZ PHE A 9 12.030 9.527 -11.026 1.00 3.05 C ATOM 0 H PHE A 9 5.482 9.270 -11.660 1.00 61.44 H new ATOM 0 HA PHE A 9 7.528 10.974 -10.732 1.00 35.52 H new ATOM 0 HB2 PHE A 9 7.449 8.488 -11.730 1.00 10.35 H new ATOM 0 HB3 PHE A 9 7.824 9.321 -13.225 1.00 10.35 H new ATOM 0 HD1 PHE A 9 9.910 10.750 -13.340 1.00 72.34 H new ATOM 0 HD2 PHE A 9 9.113 8.141 -10.068 1.00 52.23 H new ATOM 0 HE1 PHE A 9 12.281 10.824 -12.706 1.00 3.14 H new ATOM 0 HE2 PHE A 9 11.484 8.217 -9.428 1.00 41.23 H new ATOM 0 HZ PHE A 9 13.072 9.562 -10.745 1.00 3.05 H new ATOM 123 N TYR A 10 6.170 11.784 -13.570 1.00 21.12 N ATOM 124 CA TYR A 10 6.125 12.799 -14.615 1.00 40.15 C ATOM 125 C TYR A 10 5.715 14.153 -14.043 1.00 62.33 C ATOM 126 O TYR A 10 6.455 15.132 -14.141 1.00 44.21 O ATOM 127 CB TYR A 10 5.150 12.383 -15.718 1.00 61.31 C ATOM 128 CG TYR A 10 5.700 12.568 -17.114 1.00 60.13 C ATOM 129 CD1 TYR A 10 6.652 11.697 -17.629 1.00 24.25 C ATOM 130 CD2 TYR A 10 5.266 13.614 -17.920 1.00 22.13 C ATOM 131 CE1 TYR A 10 7.158 11.863 -18.903 1.00 60.13 C ATOM 132 CE2 TYR A 10 5.765 13.787 -19.196 1.00 62.33 C ATOM 133 CZ TYR A 10 6.711 12.909 -19.683 1.00 42.03 C ATOM 134 OH TYR A 10 7.211 13.077 -20.954 1.00 44.02 O ATOM 0 H TYR A 10 5.375 11.145 -13.569 1.00 21.12 H new ATOM 0 HA TYR A 10 7.125 12.892 -15.039 1.00 40.15 H new ATOM 0 HB2 TYR A 10 4.882 11.336 -15.578 1.00 61.31 H new ATOM 0 HB3 TYR A 10 4.233 12.963 -15.618 1.00 61.31 H new ATOM 0 HD1 TYR A 10 7.003 10.875 -17.022 1.00 24.25 H new ATOM 0 HD2 TYR A 10 4.526 14.303 -17.542 1.00 22.13 H new ATOM 0 HE1 TYR A 10 7.899 11.178 -19.286 1.00 60.13 H new ATOM 0 HE2 TYR A 10 5.417 14.605 -19.809 1.00 62.33 H new ATOM 0 HH TYR A 10 7.460 12.205 -21.325 1.00 44.02 H new ATOM 144 N THR A 11 4.529 14.200 -13.444 1.00 44.11 N ATOM 145 CA THR A 11 4.019 15.432 -12.856 1.00 51.01 C ATOM 146 C THR A 11 5.038 16.052 -11.907 1.00 62.02 C ATOM 147 O THR A 11 5.231 17.268 -11.897 1.00 43.13 O ATOM 148 CB THR A 11 2.705 15.187 -12.091 1.00 32.23 C ATOM 149 OG1 THR A 11 2.306 16.380 -11.407 1.00 51.22 O ATOM 150 CG2 THR A 11 2.865 14.053 -11.090 1.00 21.52 C ATOM 0 H THR A 11 3.904 13.399 -13.353 1.00 44.11 H new ATOM 0 HA THR A 11 3.829 16.120 -13.680 1.00 51.01 H new ATOM 0 HB THR A 11 1.937 14.908 -12.813 1.00 32.23 H new ATOM 0 HG1 THR A 11 1.398 16.626 -11.681 1.00 51.22 H new ATOM 0 HG21 THR A 11 1.924 13.898 -10.562 1.00 21.52 H new ATOM 0 HG22 THR A 11 3.140 13.139 -11.616 1.00 21.52 H new ATOM 0 HG23 THR A 11 3.646 14.308 -10.373 1.00 21.52 H new ATOM 158 N ILE A 12 5.688 15.209 -11.112 1.00 1.12 N ATOM 159 CA ILE A 12 6.689 15.675 -10.161 1.00 3.44 C ATOM 160 C ILE A 12 7.846 16.366 -10.875 1.00 3.05 C ATOM 161 O ILE A 12 8.305 17.427 -10.453 1.00 32.35 O ATOM 162 CB ILE A 12 7.243 14.515 -9.312 1.00 43.44 C ATOM 163 CG1 ILE A 12 6.177 14.014 -8.336 1.00 3.41 C ATOM 164 CG2 ILE A 12 8.491 14.957 -8.562 1.00 62.32 C ATOM 165 CD1 ILE A 12 5.927 14.956 -7.179 1.00 40.31 C ATOM 0 H ILE A 12 5.539 14.200 -11.108 1.00 1.12 H new ATOM 0 HA ILE A 12 6.192 16.389 -9.504 1.00 3.44 H new ATOM 0 HB ILE A 12 7.514 13.695 -9.977 1.00 43.44 H new ATOM 0 HG12 ILE A 12 5.243 13.861 -8.877 1.00 3.41 H new ATOM 0 HG13 ILE A 12 6.482 13.043 -7.945 1.00 3.41 H new ATOM 0 HG21 ILE A 12 8.871 14.127 -7.967 1.00 62.32 H new ATOM 0 HG22 ILE A 12 9.253 15.270 -9.276 1.00 62.32 H new ATOM 0 HG23 ILE A 12 8.245 15.791 -7.905 1.00 62.32 H new ATOM 0 HD11 ILE A 12 5.160 14.537 -6.528 1.00 40.31 H new ATOM 0 HD12 ILE A 12 6.849 15.090 -6.614 1.00 40.31 H new ATOM 0 HD13 ILE A 12 5.592 15.920 -7.561 1.00 40.31 H new ATOM 177 N ASN A 13 8.313 15.757 -11.960 1.00 54.21 N ATOM 178 CA ASN A 13 9.416 16.314 -12.734 1.00 52.35 C ATOM 179 C ASN A 13 9.004 17.622 -13.405 1.00 23.35 C ATOM 180 O ASN A 13 9.849 18.378 -13.887 1.00 31.41 O ATOM 181 CB ASN A 13 9.882 15.311 -13.792 1.00 10.15 C ATOM 182 CG ASN A 13 11.015 14.434 -13.296 1.00 22.31 C ATOM 183 OD1 ASN A 13 11.067 14.072 -12.120 1.00 53.31 O ATOM 184 ND2 ASN A 13 11.931 14.087 -14.193 1.00 53.01 N ATOM 0 H ASN A 13 7.945 14.878 -12.323 1.00 54.21 H new ATOM 0 HA ASN A 13 10.239 16.520 -12.050 1.00 52.35 H new ATOM 0 HB2 ASN A 13 9.042 14.682 -14.088 1.00 10.15 H new ATOM 0 HB3 ASN A 13 10.206 15.850 -14.682 1.00 10.15 H new ATOM 0 HD21 ASN A 13 12.717 13.498 -13.918 1.00 53.01 H new ATOM 0 HD22 ASN A 13 11.849 14.410 -15.157 1.00 53.01 H new ATOM 191 N LEU A 14 7.702 17.882 -13.430 1.00 40.44 N ATOM 192 CA LEU A 14 7.177 19.099 -14.041 1.00 3.24 C ATOM 193 C LEU A 14 7.116 20.235 -13.025 1.00 4.34 C ATOM 194 O LEU A 14 7.131 21.411 -13.392 1.00 33.44 O ATOM 195 CB LEU A 14 5.785 18.843 -14.620 1.00 41.13 C ATOM 196 CG LEU A 14 5.631 19.076 -16.124 1.00 30.42 C ATOM 197 CD1 LEU A 14 4.575 18.146 -16.702 1.00 40.41 C ATOM 198 CD2 LEU A 14 5.277 20.529 -16.405 1.00 63.42 C ATOM 0 H LEU A 14 6.990 17.267 -13.035 1.00 40.44 H new ATOM 0 HA LEU A 14 7.851 19.392 -14.846 1.00 3.24 H new ATOM 0 HB2 LEU A 14 5.506 17.812 -14.402 1.00 41.13 H new ATOM 0 HB3 LEU A 14 5.073 19.483 -14.099 1.00 41.13 H new ATOM 0 HG LEU A 14 6.583 18.856 -16.606 1.00 30.42 H new ATOM 0 HD11 LEU A 14 4.479 18.326 -17.773 1.00 40.41 H new ATOM 0 HD12 LEU A 14 4.870 17.110 -16.533 1.00 40.41 H new ATOM 0 HD13 LEU A 14 3.618 18.335 -16.215 1.00 40.41 H new ATOM 0 HD21 LEU A 14 5.171 20.676 -17.480 1.00 63.42 H new ATOM 0 HD22 LEU A 14 4.338 20.777 -15.911 1.00 63.42 H new ATOM 0 HD23 LEU A 14 6.068 21.176 -16.026 1.00 63.42 H new ATOM 210 N ILE A 15 7.051 19.877 -11.747 1.00 34.41 N ATOM 211 CA ILE A 15 6.991 20.866 -10.678 1.00 41.03 C ATOM 212 C ILE A 15 8.370 21.453 -10.395 1.00 72.21 C ATOM 213 O ILE A 15 8.495 22.624 -10.036 1.00 21.01 O ATOM 214 CB ILE A 15 6.427 20.259 -9.380 1.00 3.21 C ATOM 215 CG1 ILE A 15 5.004 19.746 -9.607 1.00 71.11 C ATOM 216 CG2 ILE A 15 6.453 21.288 -8.260 1.00 14.33 C ATOM 217 CD1 ILE A 15 4.037 20.822 -10.048 1.00 52.21 C ATOM 0 H ILE A 15 7.039 18.909 -11.427 1.00 34.41 H new ATOM 0 HA ILE A 15 6.324 21.658 -11.018 1.00 41.03 H new ATOM 0 HB ILE A 15 7.054 19.416 -9.088 1.00 3.21 H new ATOM 0 HG12 ILE A 15 5.026 18.958 -10.360 1.00 71.11 H new ATOM 0 HG13 ILE A 15 4.637 19.295 -8.685 1.00 71.11 H new ATOM 0 HG21 ILE A 15 6.051 20.844 -7.349 1.00 14.33 H new ATOM 0 HG22 ILE A 15 7.480 21.609 -8.085 1.00 14.33 H new ATOM 0 HG23 ILE A 15 5.847 22.149 -8.542 1.00 14.33 H new ATOM 0 HD11 ILE A 15 3.048 20.386 -10.190 1.00 52.21 H new ATOM 0 HD12 ILE A 15 3.985 21.599 -9.286 1.00 52.21 H new ATOM 0 HD13 ILE A 15 4.380 21.257 -10.987 1.00 52.21 H new ATOM 229 N ILE A 16 9.401 20.632 -10.561 1.00 5.11 N ATOM 230 CA ILE A 16 10.771 21.071 -10.326 1.00 65.11 C ATOM 231 C ILE A 16 11.076 22.354 -11.091 1.00 4.41 C ATOM 232 O ILE A 16 11.457 23.374 -10.515 1.00 53.11 O ATOM 233 CB ILE A 16 11.787 19.988 -10.736 1.00 44.53 C ATOM 234 CG1 ILE A 16 12.071 19.052 -9.560 1.00 73.11 C ATOM 235 CG2 ILE A 16 13.075 20.631 -11.231 1.00 72.30 C ATOM 236 CD1 ILE A 16 12.019 17.586 -9.929 1.00 63.20 C ATOM 0 H ILE A 16 9.314 19.660 -10.857 1.00 5.11 H new ATOM 0 HA ILE A 16 10.863 21.258 -9.256 1.00 65.11 H new ATOM 0 HB ILE A 16 11.361 19.400 -11.549 1.00 44.53 H new ATOM 0 HG12 ILE A 16 13.056 19.281 -9.153 1.00 73.11 H new ATOM 0 HG13 ILE A 16 11.346 19.245 -8.769 1.00 73.11 H new ATOM 0 HG21 ILE A 16 13.783 19.853 -11.517 1.00 72.30 H new ATOM 0 HG22 ILE A 16 12.859 21.261 -12.094 1.00 72.30 H new ATOM 0 HG23 ILE A 16 13.506 21.240 -10.437 1.00 72.30 H new ATOM 0 HD11 ILE A 16 12.230 16.981 -9.047 1.00 63.20 H new ATOM 0 HD12 ILE A 16 11.027 17.341 -10.308 1.00 63.20 H new ATOM 0 HD13 ILE A 16 12.763 17.378 -10.698 1.00 63.20 H new ATOM 248 N PRO A 17 10.904 22.306 -12.420 1.00 45.02 N ATOM 249 CA PRO A 17 11.153 23.457 -13.293 1.00 4.20 C ATOM 250 C PRO A 17 10.122 24.564 -13.101 1.00 72.34 C ATOM 251 O PRO A 17 10.437 25.748 -13.229 1.00 33.43 O ATOM 252 CB PRO A 17 11.047 22.865 -14.700 1.00 60.14 C ATOM 253 CG PRO A 17 10.168 21.673 -14.544 1.00 75.42 C ATOM 254 CD PRO A 17 10.453 21.124 -13.174 1.00 24.04 C ATOM 0 HA PRO A 17 12.115 23.926 -13.085 1.00 4.20 H new ATOM 0 HB2 PRO A 17 10.620 23.583 -15.400 1.00 60.14 H new ATOM 0 HB3 PRO A 17 12.027 22.586 -15.087 1.00 60.14 H new ATOM 0 HG2 PRO A 17 9.118 21.947 -14.644 1.00 75.42 H new ATOM 0 HG3 PRO A 17 10.378 20.930 -15.313 1.00 75.42 H new ATOM 0 HD2 PRO A 17 9.565 20.677 -12.727 1.00 24.04 H new ATOM 0 HD3 PRO A 17 11.219 20.349 -13.203 1.00 24.04 H new ATOM 262 N CYS A 18 8.890 24.171 -12.795 1.00 4.33 N ATOM 263 CA CYS A 18 7.812 25.131 -12.586 1.00 31.12 C ATOM 264 C CYS A 18 8.202 26.167 -11.537 1.00 12.22 C ATOM 265 O CYS A 18 8.213 27.368 -11.809 1.00 34.21 O ATOM 266 CB CYS A 18 6.534 24.408 -12.156 1.00 44.21 C ATOM 267 SG CYS A 18 5.101 25.493 -11.965 1.00 51.52 S ATOM 0 H CYS A 18 8.613 23.195 -12.686 1.00 4.33 H new ATOM 0 HA CYS A 18 7.630 25.647 -13.529 1.00 31.12 H new ATOM 0 HB2 CYS A 18 6.299 23.640 -12.892 1.00 44.21 H new ATOM 0 HB3 CYS A 18 6.719 23.898 -11.211 1.00 44.21 H new ATOM 0 HG CYS A 18 4.070 24.790 -11.602 1.00 51.52 H new ATOM 273 N VAL A 19 8.520 25.695 -10.336 1.00 22.03 N ATOM 274 CA VAL A 19 8.910 26.580 -9.245 1.00 1.41 C ATOM 275 C VAL A 19 10.304 27.153 -9.474 1.00 4.14 C ATOM 276 O VAL A 19 10.584 28.298 -9.115 1.00 72.02 O ATOM 277 CB VAL A 19 8.884 25.848 -7.890 1.00 70.55 C ATOM 278 CG1 VAL A 19 7.470 25.402 -7.552 1.00 33.25 C ATOM 279 CG2 VAL A 19 9.836 24.661 -7.909 1.00 33.03 C ATOM 0 H VAL A 19 8.515 24.704 -10.094 1.00 22.03 H new ATOM 0 HA VAL A 19 8.185 27.393 -9.223 1.00 1.41 H new ATOM 0 HB VAL A 19 9.216 26.539 -7.116 1.00 70.55 H new ATOM 0 HG11 VAL A 19 7.471 24.887 -6.592 1.00 33.25 H new ATOM 0 HG12 VAL A 19 6.817 26.273 -7.496 1.00 33.25 H new ATOM 0 HG13 VAL A 19 7.107 24.726 -8.326 1.00 33.25 H new ATOM 0 HG21 VAL A 19 9.806 24.155 -6.944 1.00 33.03 H new ATOM 0 HG22 VAL A 19 9.535 23.966 -8.693 1.00 33.03 H new ATOM 0 HG23 VAL A 19 10.850 25.011 -8.103 1.00 33.03 H new ATOM 289 N LEU A 20 11.177 26.350 -10.073 1.00 14.21 N ATOM 290 CA LEU A 20 12.544 26.777 -10.351 1.00 33.12 C ATOM 291 C LEU A 20 12.557 28.026 -11.227 1.00 30.44 C ATOM 292 O LEU A 20 13.270 28.988 -10.941 1.00 52.21 O ATOM 293 CB LEU A 20 13.321 25.651 -11.036 1.00 11.43 C ATOM 294 CG LEU A 20 14.792 25.939 -11.339 1.00 54.42 C ATOM 295 CD1 LEU A 20 15.636 25.784 -10.084 1.00 61.40 C ATOM 296 CD2 LEU A 20 15.298 25.022 -12.442 1.00 62.23 C ATOM 0 H LEU A 20 10.962 25.400 -10.375 1.00 14.21 H new ATOM 0 HA LEU A 20 13.024 27.017 -9.402 1.00 33.12 H new ATOM 0 HB2 LEU A 20 13.268 24.764 -10.405 1.00 11.43 H new ATOM 0 HB3 LEU A 20 12.819 25.407 -11.972 1.00 11.43 H new ATOM 0 HG LEU A 20 14.878 26.970 -11.683 1.00 54.42 H new ATOM 0 HD11 LEU A 20 16.680 25.993 -10.319 1.00 61.40 H new ATOM 0 HD12 LEU A 20 15.289 26.483 -9.323 1.00 61.40 H new ATOM 0 HD13 LEU A 20 15.546 24.765 -9.708 1.00 61.40 H new ATOM 0 HD21 LEU A 20 16.346 25.241 -12.645 1.00 62.23 H new ATOM 0 HD22 LEU A 20 15.199 23.984 -12.126 1.00 62.23 H new ATOM 0 HD23 LEU A 20 14.712 25.184 -13.347 1.00 62.23 H new ATOM 308 N ILE A 21 11.763 28.003 -12.292 1.00 3.20 N ATOM 309 CA ILE A 21 11.682 29.135 -13.207 1.00 74.21 C ATOM 310 C ILE A 21 10.902 30.289 -12.586 1.00 70.21 C ATOM 311 O ILE A 21 11.378 31.424 -12.544 1.00 61.23 O ATOM 312 CB ILE A 21 11.015 28.736 -14.537 1.00 12.40 C ATOM 313 CG1 ILE A 21 11.861 27.689 -15.263 1.00 60.32 C ATOM 314 CG2 ILE A 21 10.811 29.962 -15.415 1.00 72.22 C ATOM 315 CD1 ILE A 21 11.073 26.851 -16.246 1.00 21.02 C ATOM 0 H ILE A 21 11.167 27.214 -12.542 1.00 3.20 H new ATOM 0 HA ILE A 21 12.705 29.456 -13.404 1.00 74.21 H new ATOM 0 HB ILE A 21 10.039 28.301 -14.321 1.00 12.40 H new ATOM 0 HG12 ILE A 21 12.670 28.191 -15.793 1.00 60.32 H new ATOM 0 HG13 ILE A 21 12.323 27.032 -14.526 1.00 60.32 H new ATOM 0 HG21 ILE A 21 10.339 29.665 -16.351 1.00 72.22 H new ATOM 0 HG22 ILE A 21 10.172 30.678 -14.898 1.00 72.22 H new ATOM 0 HG23 ILE A 21 11.776 30.423 -15.626 1.00 72.22 H new ATOM 0 HD11 ILE A 21 11.737 26.130 -16.724 1.00 21.02 H new ATOM 0 HD12 ILE A 21 10.280 26.320 -15.718 1.00 21.02 H new ATOM 0 HD13 ILE A 21 10.633 27.498 -17.005 1.00 21.02 H new ATOM 327 N THR A 22 9.700 29.991 -12.102 1.00 40.30 N ATOM 328 CA THR A 22 8.854 31.003 -11.482 1.00 71.00 C ATOM 329 C THR A 22 9.603 31.749 -10.384 1.00 22.21 C ATOM 330 O THR A 22 9.709 32.975 -10.414 1.00 63.21 O ATOM 331 CB THR A 22 7.578 30.379 -10.885 1.00 2.41 C ATOM 332 OG1 THR A 22 6.891 29.618 -11.884 1.00 62.12 O ATOM 333 CG2 THR A 22 6.655 31.457 -10.337 1.00 74.20 C ATOM 0 H THR A 22 9.291 29.057 -12.128 1.00 40.30 H new ATOM 0 HA THR A 22 8.574 31.705 -12.267 1.00 71.00 H new ATOM 0 HB THR A 22 7.870 29.722 -10.066 1.00 2.41 H new ATOM 0 HG1 THR A 22 7.191 28.686 -11.849 1.00 62.12 H new ATOM 0 HG21 THR A 22 5.761 30.993 -9.921 1.00 74.20 H new ATOM 0 HG22 THR A 22 7.171 32.015 -9.556 1.00 74.20 H new ATOM 0 HG23 THR A 22 6.371 32.136 -11.141 1.00 74.20 H new ATOM 341 N SER A 23 10.122 31.001 -9.415 1.00 42.22 N ATOM 342 CA SER A 23 10.860 31.593 -8.305 1.00 33.41 C ATOM 343 C SER A 23 11.963 32.514 -8.815 1.00 42.24 C ATOM 344 O SER A 23 12.193 33.591 -8.264 1.00 43.41 O ATOM 345 CB SER A 23 11.462 30.497 -7.424 1.00 20.34 C ATOM 346 OG SER A 23 12.336 31.046 -6.453 1.00 64.20 O ATOM 0 H SER A 23 10.045 29.985 -9.376 1.00 42.22 H new ATOM 0 HA SER A 23 10.163 32.185 -7.712 1.00 33.41 H new ATOM 0 HB2 SER A 23 10.663 29.945 -6.928 1.00 20.34 H new ATOM 0 HB3 SER A 23 12.005 29.784 -8.045 1.00 20.34 H new ATOM 0 HG SER A 23 12.707 30.325 -5.902 1.00 64.20 H new ATOM 352 N LEU A 24 12.643 32.083 -9.872 1.00 42.42 N ATOM 353 CA LEU A 24 13.724 32.869 -10.459 1.00 35.30 C ATOM 354 C LEU A 24 13.212 34.222 -10.943 1.00 63.21 C ATOM 355 O LEU A 24 13.896 35.237 -10.815 1.00 22.21 O ATOM 356 CB LEU A 24 14.362 32.106 -11.621 1.00 54.14 C ATOM 357 CG LEU A 24 15.779 31.583 -11.384 1.00 34.14 C ATOM 358 CD1 LEU A 24 16.748 32.738 -11.186 1.00 31.11 C ATOM 359 CD2 LEU A 24 15.808 30.648 -10.183 1.00 14.41 C ATOM 0 H LEU A 24 12.465 31.194 -10.340 1.00 42.42 H new ATOM 0 HA LEU A 24 14.476 33.041 -9.689 1.00 35.30 H new ATOM 0 HB2 LEU A 24 13.721 31.260 -11.869 1.00 54.14 H new ATOM 0 HB3 LEU A 24 14.379 32.760 -12.493 1.00 54.14 H new ATOM 0 HG LEU A 24 16.091 31.021 -12.265 1.00 34.14 H new ATOM 0 HD11 LEU A 24 17.751 32.347 -11.019 1.00 31.11 H new ATOM 0 HD12 LEU A 24 16.748 33.369 -12.075 1.00 31.11 H new ATOM 0 HD13 LEU A 24 16.440 33.327 -10.322 1.00 31.11 H new ATOM 0 HD21 LEU A 24 16.824 30.285 -10.029 1.00 14.41 H new ATOM 0 HD22 LEU A 24 15.476 31.186 -9.295 1.00 14.41 H new ATOM 0 HD23 LEU A 24 15.144 29.802 -10.364 1.00 14.41 H new ATOM 371 N ALA A 25 12.005 34.228 -11.498 1.00 13.20 N ATOM 372 CA ALA A 25 11.400 35.457 -11.997 1.00 60.13 C ATOM 373 C ALA A 25 10.905 36.331 -10.850 1.00 22.12 C ATOM 374 O ALA A 25 10.890 37.558 -10.954 1.00 32.21 O ATOM 375 CB ALA A 25 10.257 35.134 -12.948 1.00 40.02 C ATOM 0 H ALA A 25 11.427 33.396 -11.614 1.00 13.20 H new ATOM 0 HA ALA A 25 12.164 36.014 -12.540 1.00 60.13 H new ATOM 0 HB1 ALA A 25 9.814 36.061 -13.313 1.00 40.02 H new ATOM 0 HB2 ALA A 25 10.637 34.557 -13.791 1.00 40.02 H new ATOM 0 HB3 ALA A 25 9.500 34.553 -12.422 1.00 40.02 H new ATOM 381 N ILE A 26 10.501 35.692 -9.757 1.00 61.23 N ATOM 382 CA ILE A 26 10.006 36.412 -8.591 1.00 1.03 C ATOM 383 C ILE A 26 11.154 37.027 -7.797 1.00 34.15 C ATOM 384 O ILE A 26 11.056 38.158 -7.318 1.00 22.42 O ATOM 385 CB ILE A 26 9.191 35.490 -7.664 1.00 43.50 C ATOM 386 CG1 ILE A 26 7.972 34.936 -8.404 1.00 11.33 C ATOM 387 CG2 ILE A 26 8.762 36.243 -6.413 1.00 62.41 C ATOM 388 CD1 ILE A 26 7.450 33.641 -7.823 1.00 22.22 C ATOM 0 H ILE A 26 10.507 34.677 -9.655 1.00 61.23 H new ATOM 0 HA ILE A 26 9.357 37.206 -8.962 1.00 1.03 H new ATOM 0 HB ILE A 26 9.820 34.653 -7.362 1.00 43.50 H new ATOM 0 HG12 ILE A 26 7.176 35.680 -8.385 1.00 11.33 H new ATOM 0 HG13 ILE A 26 8.234 34.776 -9.450 1.00 11.33 H new ATOM 0 HG21 ILE A 26 8.187 35.579 -5.768 1.00 62.41 H new ATOM 0 HG22 ILE A 26 9.645 36.593 -5.879 1.00 62.41 H new ATOM 0 HG23 ILE A 26 8.146 37.097 -6.696 1.00 62.41 H new ATOM 0 HD11 ILE A 26 6.586 33.307 -8.397 1.00 22.22 H new ATOM 0 HD12 ILE A 26 8.231 32.882 -7.867 1.00 22.22 H new ATOM 0 HD13 ILE A 26 7.157 33.800 -6.785 1.00 22.22 H new ATOM 400 N LEU A 27 12.241 36.276 -7.662 1.00 2.14 N ATOM 401 CA LEU A 27 13.410 36.748 -6.927 1.00 30.41 C ATOM 402 C LEU A 27 14.109 37.874 -7.681 1.00 10.54 C ATOM 403 O LEU A 27 14.800 38.700 -7.083 1.00 64.44 O ATOM 404 CB LEU A 27 14.387 35.595 -6.690 1.00 31.45 C ATOM 405 CG LEU A 27 14.379 34.986 -5.287 1.00 4.54 C ATOM 406 CD1 LEU A 27 14.966 35.962 -4.279 1.00 1.44 C ATOM 407 CD2 LEU A 27 12.967 34.588 -4.886 1.00 35.22 C ATOM 0 H LEU A 27 12.338 35.338 -8.051 1.00 2.14 H new ATOM 0 HA LEU A 27 13.072 37.134 -5.965 1.00 30.41 H new ATOM 0 HB2 LEU A 27 14.167 34.805 -7.408 1.00 31.45 H new ATOM 0 HB3 LEU A 27 15.395 35.949 -6.905 1.00 31.45 H new ATOM 0 HG LEU A 27 14.998 34.089 -5.298 1.00 4.54 H new ATOM 0 HD11 LEU A 27 14.952 35.512 -3.286 1.00 1.44 H new ATOM 0 HD12 LEU A 27 15.993 36.198 -4.556 1.00 1.44 H new ATOM 0 HD13 LEU A 27 14.374 36.877 -4.271 1.00 1.44 H new ATOM 0 HD21 LEU A 27 12.981 34.157 -3.885 1.00 35.22 H new ATOM 0 HD22 LEU A 27 12.325 35.469 -4.893 1.00 35.22 H new ATOM 0 HD23 LEU A 27 12.582 33.853 -5.593 1.00 35.22 H new ATOM 419 N VAL A 28 13.922 37.904 -8.996 1.00 44.34 N ATOM 420 CA VAL A 28 14.532 38.932 -9.832 1.00 21.21 C ATOM 421 C VAL A 28 13.790 40.257 -9.703 1.00 15.10 C ATOM 422 O VAL A 28 14.405 41.315 -9.569 1.00 55.22 O ATOM 423 CB VAL A 28 14.554 38.510 -11.313 1.00 44.53 C ATOM 424 CG1 VAL A 28 14.666 39.731 -12.214 1.00 61.01 C ATOM 425 CG2 VAL A 28 15.696 37.539 -11.573 1.00 50.33 C ATOM 0 H VAL A 28 13.353 37.228 -9.506 1.00 44.34 H new ATOM 0 HA VAL A 28 15.557 39.058 -9.482 1.00 21.21 H new ATOM 0 HB VAL A 28 13.617 38.003 -11.543 1.00 44.53 H new ATOM 0 HG11 VAL A 28 14.680 39.414 -13.257 1.00 61.01 H new ATOM 0 HG12 VAL A 28 13.812 40.387 -12.046 1.00 61.01 H new ATOM 0 HG13 VAL A 28 15.586 40.268 -11.986 1.00 61.01 H new ATOM 0 HG21 VAL A 28 15.697 37.251 -12.624 1.00 50.33 H new ATOM 0 HG22 VAL A 28 16.644 38.018 -11.327 1.00 50.33 H new ATOM 0 HG23 VAL A 28 15.567 36.651 -10.954 1.00 50.33 H new ATOM 435 N PHE A 29 12.463 40.192 -9.744 1.00 32.03 N ATOM 436 CA PHE A 29 11.635 41.387 -9.632 1.00 10.22 C ATOM 437 C PHE A 29 11.856 42.078 -8.289 1.00 42.34 C ATOM 438 O PHE A 29 11.920 43.306 -8.214 1.00 32.43 O ATOM 439 CB PHE A 29 10.157 41.027 -9.795 1.00 70.21 C ATOM 440 CG PHE A 29 9.504 41.694 -10.971 1.00 53.34 C ATOM 441 CD1 PHE A 29 9.639 41.169 -12.246 1.00 70.32 C ATOM 442 CD2 PHE A 29 8.755 42.848 -10.802 1.00 73.33 C ATOM 443 CE1 PHE A 29 9.039 41.780 -13.331 1.00 12.21 C ATOM 444 CE2 PHE A 29 8.152 43.463 -11.883 1.00 51.30 C ATOM 445 CZ PHE A 29 8.295 42.930 -13.149 1.00 21.41 C ATOM 0 H PHE A 29 11.938 39.324 -9.854 1.00 32.03 H new ATOM 0 HA PHE A 29 11.924 42.074 -10.427 1.00 10.22 H new ATOM 0 HB2 PHE A 29 10.064 39.946 -9.903 1.00 70.21 H new ATOM 0 HB3 PHE A 29 9.622 41.304 -8.887 1.00 70.21 H new ATOM 0 HD1 PHE A 29 10.220 40.271 -12.394 1.00 70.32 H new ATOM 0 HD2 PHE A 29 8.641 43.271 -9.815 1.00 73.33 H new ATOM 0 HE1 PHE A 29 9.152 41.359 -14.319 1.00 12.21 H new ATOM 0 HE2 PHE A 29 7.569 44.360 -11.738 1.00 51.30 H new ATOM 0 HZ PHE A 29 7.826 43.411 -13.995 1.00 21.41 H new ATOM 455 N TYR A 30 11.972 41.282 -7.233 1.00 21.31 N ATOM 456 CA TYR A 30 12.183 41.816 -5.893 1.00 31.54 C ATOM 457 C TYR A 30 13.652 42.159 -5.668 1.00 43.40 C ATOM 458 O TYR A 30 13.984 43.260 -5.225 1.00 22.31 O ATOM 459 CB TYR A 30 11.717 40.808 -4.840 1.00 71.14 C ATOM 460 CG TYR A 30 10.254 40.941 -4.481 1.00 23.15 C ATOM 461 CD1 TYR A 30 9.292 41.134 -5.464 1.00 12.31 C ATOM 462 CD2 TYR A 30 9.835 40.874 -3.158 1.00 0.33 C ATOM 463 CE1 TYR A 30 7.954 41.257 -5.140 1.00 4.11 C ATOM 464 CE2 TYR A 30 8.500 40.995 -2.825 1.00 32.53 C ATOM 465 CZ TYR A 30 7.563 41.186 -3.819 1.00 44.01 C ATOM 466 OH TYR A 30 6.232 41.308 -3.491 1.00 65.33 O ATOM 0 H TYR A 30 11.924 40.264 -7.279 1.00 21.31 H new ATOM 0 HA TYR A 30 11.596 42.730 -5.798 1.00 31.54 H new ATOM 0 HB2 TYR A 30 11.902 39.799 -5.208 1.00 71.14 H new ATOM 0 HB3 TYR A 30 12.317 40.933 -3.938 1.00 71.14 H new ATOM 0 HD1 TYR A 30 9.595 41.189 -6.499 1.00 12.31 H new ATOM 0 HD2 TYR A 30 10.566 40.725 -2.377 1.00 0.33 H new ATOM 0 HE1 TYR A 30 7.219 41.408 -5.917 1.00 4.11 H new ATOM 0 HE2 TYR A 30 8.191 40.940 -1.791 1.00 32.53 H new ATOM 0 HH TYR A 30 6.140 41.888 -2.706 1.00 65.33 H new ATOM 476 N LEU A 31 14.529 41.211 -5.978 1.00 31.54 N ATOM 477 CA LEU A 31 15.964 41.411 -5.811 1.00 42.21 C ATOM 478 C LEU A 31 16.688 41.302 -7.149 1.00 41.33 C ATOM 479 O LEU A 31 17.421 40.348 -7.411 1.00 13.11 O ATOM 480 CB LEU A 31 16.532 40.387 -4.827 1.00 35.13 C ATOM 481 CG LEU A 31 16.240 40.644 -3.348 1.00 15.01 C ATOM 482 CD1 LEU A 31 15.520 39.454 -2.731 1.00 45.41 C ATOM 483 CD2 LEU A 31 17.527 40.941 -2.594 1.00 25.23 C ATOM 0 H LEU A 31 14.271 40.296 -6.347 1.00 31.54 H new ATOM 0 HA LEU A 31 16.121 42.414 -5.413 1.00 42.21 H new ATOM 0 HB2 LEU A 31 16.139 39.405 -5.089 1.00 35.13 H new ATOM 0 HB3 LEU A 31 17.613 40.344 -4.961 1.00 35.13 H new ATOM 0 HG LEU A 31 15.589 41.515 -3.272 1.00 15.01 H new ATOM 0 HD11 LEU A 31 15.321 39.655 -1.678 1.00 45.41 H new ATOM 0 HD12 LEU A 31 14.578 39.288 -3.253 1.00 45.41 H new ATOM 0 HD13 LEU A 31 16.145 38.565 -2.818 1.00 45.41 H new ATOM 0 HD21 LEU A 31 17.300 41.121 -1.543 1.00 25.23 H new ATOM 0 HD22 LEU A 31 18.203 40.090 -2.678 1.00 25.23 H new ATOM 0 HD23 LEU A 31 18.002 41.825 -3.019 1.00 25.23 H new ATOM 495 N PRO A 32 16.481 42.304 -8.017 1.00 62.34 N ATOM 496 CA PRO A 32 17.108 42.345 -9.342 1.00 75.12 C ATOM 497 C PRO A 32 18.610 42.591 -9.265 1.00 44.25 C ATOM 498 O PRO A 32 19.074 43.421 -8.484 1.00 12.52 O ATOM 499 CB PRO A 32 16.407 43.520 -10.029 1.00 44.20 C ATOM 500 CG PRO A 32 15.953 44.395 -8.912 1.00 51.45 C ATOM 501 CD PRO A 32 15.620 43.473 -7.772 1.00 64.04 C ATOM 0 HA PRO A 32 17.003 41.399 -9.873 1.00 75.12 H new ATOM 0 HB2 PRO A 32 17.086 44.050 -10.697 1.00 44.20 H new ATOM 0 HB3 PRO A 32 15.566 43.181 -10.633 1.00 44.20 H new ATOM 0 HG2 PRO A 32 16.733 45.101 -8.628 1.00 51.45 H new ATOM 0 HG3 PRO A 32 15.083 44.983 -9.205 1.00 51.45 H new ATOM 0 HD2 PRO A 32 15.833 43.934 -6.807 1.00 64.04 H new ATOM 0 HD3 PRO A 32 14.564 43.201 -7.770 1.00 64.04 H new ATOM 509 N SER A 33 19.367 41.865 -10.082 1.00 31.30 N ATOM 510 CA SER A 33 20.818 42.002 -10.104 1.00 5.32 C ATOM 511 C SER A 33 21.276 42.733 -11.362 1.00 41.04 C ATOM 512 O SER A 33 22.426 43.163 -11.461 1.00 34.42 O ATOM 513 CB SER A 33 21.483 40.626 -10.029 1.00 4.51 C ATOM 514 OG SER A 33 22.796 40.722 -9.504 1.00 43.53 O ATOM 0 H SER A 33 18.999 41.176 -10.738 1.00 31.30 H new ATOM 0 HA SER A 33 21.116 42.589 -9.235 1.00 5.32 H new ATOM 0 HB2 SER A 33 20.885 39.963 -9.403 1.00 4.51 H new ATOM 0 HB3 SER A 33 21.517 40.180 -11.023 1.00 4.51 H new ATOM 0 HG SER A 33 23.199 39.829 -9.465 1.00 43.53 H new ATOM 520 N ASP A 34 20.368 42.870 -12.322 1.00 60.13 N ATOM 521 CA ASP A 34 20.676 43.549 -13.575 1.00 44.33 C ATOM 522 C ASP A 34 19.464 44.319 -14.089 1.00 13.33 C ATOM 523 O ASP A 34 18.465 44.466 -13.383 1.00 70.01 O ATOM 524 CB ASP A 34 21.138 42.540 -14.627 1.00 70.25 C ATOM 525 CG ASP A 34 22.276 43.069 -15.478 1.00 10.22 C ATOM 526 OD1 ASP A 34 23.235 43.629 -14.905 1.00 75.20 O ATOM 527 OD2 ASP A 34 22.209 42.923 -16.716 1.00 14.10 O ATOM 0 H ASP A 34 19.412 42.520 -12.256 1.00 60.13 H new ATOM 0 HA ASP A 34 21.481 44.259 -13.386 1.00 44.33 H new ATOM 0 HB2 ASP A 34 21.455 41.623 -14.131 1.00 70.25 H new ATOM 0 HB3 ASP A 34 20.298 42.280 -15.271 1.00 70.25 H new ATOM 532 N CYS A 35 19.558 44.810 -15.320 1.00 25.54 N ATOM 533 CA CYS A 35 18.470 45.567 -15.927 1.00 33.30 C ATOM 534 C CYS A 35 17.794 44.758 -17.030 1.00 3.12 C ATOM 535 O CYS A 35 16.636 44.997 -17.368 1.00 72.12 O ATOM 536 CB CYS A 35 18.993 46.887 -16.494 1.00 1.23 C ATOM 537 SG CYS A 35 17.881 48.291 -16.242 1.00 62.34 S ATOM 0 H CYS A 35 20.377 44.697 -15.917 1.00 25.54 H new ATOM 0 HA CYS A 35 17.733 45.780 -15.153 1.00 33.30 H new ATOM 0 HB2 CYS A 35 19.955 47.112 -16.034 1.00 1.23 H new ATOM 0 HB3 CYS A 35 19.171 46.766 -17.562 1.00 1.23 H new ATOM 0 HG CYS A 35 18.411 49.362 -16.754 1.00 62.34 H new ATOM 543 N GLY A 36 18.528 43.800 -17.589 1.00 1.34 N ATOM 544 CA GLY A 36 17.984 42.972 -18.649 1.00 1.12 C ATOM 545 C GLY A 36 17.691 41.558 -18.188 1.00 4.13 C ATOM 546 O GLY A 36 17.537 40.652 -19.005 1.00 61.25 O ATOM 0 H GLY A 36 19.489 43.583 -17.326 1.00 1.34 H new ATOM 0 HA2 GLY A 36 17.067 43.425 -19.026 1.00 1.12 H new ATOM 0 HA3 GLY A 36 18.689 42.941 -19.480 1.00 1.12 H new ATOM 550 N GLU A 37 17.617 41.369 -16.874 1.00 14.21 N ATOM 551 CA GLU A 37 17.343 40.054 -16.306 1.00 40.13 C ATOM 552 C GLU A 37 15.871 39.686 -16.470 1.00 0.52 C ATOM 553 O GLU A 37 15.503 38.513 -16.421 1.00 30.44 O ATOM 554 CB GLU A 37 17.726 40.024 -14.825 1.00 62.43 C ATOM 555 CG GLU A 37 18.580 38.827 -14.442 1.00 63.21 C ATOM 556 CD GLU A 37 19.761 39.208 -13.570 1.00 34.13 C ATOM 557 OE1 GLU A 37 19.569 39.352 -12.344 1.00 3.31 O ATOM 558 OE2 GLU A 37 20.875 39.362 -14.112 1.00 73.10 O ATOM 0 H GLU A 37 17.743 42.109 -16.184 1.00 14.21 H new ATOM 0 HA GLU A 37 17.944 39.322 -16.844 1.00 40.13 H new ATOM 0 HB2 GLU A 37 18.266 40.938 -14.579 1.00 62.43 H new ATOM 0 HB3 GLU A 37 16.817 40.019 -14.223 1.00 62.43 H new ATOM 0 HG2 GLU A 37 17.963 38.099 -13.914 1.00 63.21 H new ATOM 0 HG3 GLU A 37 18.943 38.340 -15.347 1.00 63.21 H new ATOM 565 N LYS A 38 15.033 40.699 -16.664 1.00 74.31 N ATOM 566 CA LYS A 38 13.601 40.485 -16.836 1.00 34.42 C ATOM 567 C LYS A 38 13.308 39.805 -18.170 1.00 22.13 C ATOM 568 O LYS A 38 12.730 38.719 -18.210 1.00 5.02 O ATOM 569 CB LYS A 38 12.852 41.817 -16.755 1.00 74.32 C ATOM 570 CG LYS A 38 12.140 42.035 -15.431 1.00 74.03 C ATOM 571 CD LYS A 38 13.123 42.116 -14.276 1.00 2.10 C ATOM 572 CE LYS A 38 12.452 42.618 -13.007 1.00 32.44 C ATOM 573 NZ LYS A 38 13.355 43.494 -12.211 1.00 12.52 N ATOM 0 H LYS A 38 15.321 41.677 -16.706 1.00 74.31 H new ATOM 0 HA LYS A 38 13.258 39.833 -16.033 1.00 34.42 H new ATOM 0 HB2 LYS A 38 13.558 42.632 -16.917 1.00 74.32 H new ATOM 0 HB3 LYS A 38 12.122 41.863 -17.563 1.00 74.32 H new ATOM 0 HG2 LYS A 38 11.556 42.954 -15.478 1.00 74.03 H new ATOM 0 HG3 LYS A 38 11.438 41.220 -15.256 1.00 74.03 H new ATOM 0 HD2 LYS A 38 13.555 41.132 -14.095 1.00 2.10 H new ATOM 0 HD3 LYS A 38 13.944 42.781 -14.542 1.00 2.10 H new ATOM 0 HE2 LYS A 38 11.549 43.169 -13.268 1.00 32.44 H new ATOM 0 HE3 LYS A 38 12.142 41.768 -12.399 1.00 32.44 H new ATOM 0 HZ1 LYS A 38 13.582 43.030 -11.309 1.00 12.52 H new ATOM 0 HZ2 LYS A 38 14.232 43.664 -12.744 1.00 12.52 H new ATOM 0 HZ3 LYS A 38 12.882 44.401 -12.024 1.00 12.52 H new ATOM 587 N MET A 39 13.712 40.451 -19.259 1.00 22.52 N ATOM 588 CA MET A 39 13.495 39.906 -20.594 1.00 63.11 C ATOM 589 C MET A 39 14.103 38.512 -20.718 1.00 43.42 C ATOM 590 O MET A 39 13.502 37.611 -21.303 1.00 70.22 O ATOM 591 CB MET A 39 14.098 40.834 -21.651 1.00 32.13 C ATOM 592 CG MET A 39 13.092 41.798 -22.257 1.00 54.33 C ATOM 593 SD MET A 39 12.904 43.307 -21.288 1.00 34.23 S ATOM 594 CE MET A 39 13.532 44.528 -22.437 1.00 5.53 C ATOM 0 H MET A 39 14.191 41.351 -19.243 1.00 22.52 H new ATOM 0 HA MET A 39 12.420 39.830 -20.758 1.00 63.11 H new ATOM 0 HB2 MET A 39 14.910 41.405 -21.201 1.00 32.13 H new ATOM 0 HB3 MET A 39 14.535 40.230 -22.446 1.00 32.13 H new ATOM 0 HG2 MET A 39 13.407 42.057 -23.268 1.00 54.33 H new ATOM 0 HG3 MET A 39 12.125 41.302 -22.341 1.00 54.33 H new ATOM 0 HE1 MET A 39 13.481 45.517 -21.981 1.00 5.53 H new ATOM 0 HE2 MET A 39 14.568 44.296 -22.685 1.00 5.53 H new ATOM 0 HE3 MET A 39 12.930 44.516 -23.346 1.00 5.53 H new ATOM 604 N THR A 40 15.300 38.342 -20.164 1.00 71.04 N ATOM 605 CA THR A 40 15.990 37.059 -20.215 1.00 14.14 C ATOM 606 C THR A 40 15.153 35.960 -19.570 1.00 24.32 C ATOM 607 O THR A 40 15.177 34.809 -20.008 1.00 65.05 O ATOM 608 CB THR A 40 17.357 37.129 -19.509 1.00 62.44 C ATOM 609 OG1 THR A 40 18.255 37.952 -20.262 1.00 22.20 O ATOM 610 CG2 THR A 40 17.953 35.738 -19.345 1.00 54.40 C ATOM 0 H THR A 40 15.811 39.077 -19.675 1.00 71.04 H new ATOM 0 HA THR A 40 16.145 36.824 -21.268 1.00 14.14 H new ATOM 0 HB THR A 40 17.209 37.563 -18.520 1.00 62.44 H new ATOM 0 HG1 THR A 40 18.167 38.884 -19.970 1.00 22.20 H new ATOM 0 HG21 THR A 40 18.918 35.812 -18.844 1.00 54.40 H new ATOM 0 HG22 THR A 40 17.281 35.122 -18.748 1.00 54.40 H new ATOM 0 HG23 THR A 40 18.088 35.282 -20.326 1.00 54.40 H new ATOM 618 N LEU A 41 14.414 36.320 -18.527 1.00 13.31 N ATOM 619 CA LEU A 41 13.568 35.364 -17.821 1.00 61.43 C ATOM 620 C LEU A 41 12.406 34.912 -18.700 1.00 41.22 C ATOM 621 O LEU A 41 12.138 33.717 -18.826 1.00 31.31 O ATOM 622 CB LEU A 41 13.034 35.982 -16.528 1.00 61.20 C ATOM 623 CG LEU A 41 12.924 35.039 -15.329 1.00 40.30 C ATOM 624 CD1 LEU A 41 12.249 33.738 -15.733 1.00 70.13 C ATOM 625 CD2 LEU A 41 14.299 34.767 -14.736 1.00 50.54 C ATOM 0 H LEU A 41 14.383 37.268 -18.151 1.00 13.31 H new ATOM 0 HA LEU A 41 14.175 34.492 -17.576 1.00 61.43 H new ATOM 0 HB2 LEU A 41 13.682 36.814 -16.252 1.00 61.20 H new ATOM 0 HB3 LEU A 41 12.047 36.399 -16.729 1.00 61.20 H new ATOM 0 HG LEU A 41 12.311 35.521 -14.568 1.00 40.30 H new ATOM 0 HD11 LEU A 41 12.180 33.080 -14.867 1.00 70.13 H new ATOM 0 HD12 LEU A 41 11.248 33.949 -16.109 1.00 70.13 H new ATOM 0 HD13 LEU A 41 12.835 33.251 -16.513 1.00 70.13 H new ATOM 0 HD21 LEU A 41 14.201 34.094 -13.884 1.00 50.54 H new ATOM 0 HD22 LEU A 41 14.936 34.306 -15.491 1.00 50.54 H new ATOM 0 HD23 LEU A 41 14.746 35.705 -14.408 1.00 50.54 H new ATOM 637 N CYS A 42 11.722 35.875 -19.307 1.00 53.14 N ATOM 638 CA CYS A 42 10.589 35.577 -20.177 1.00 31.35 C ATOM 639 C CYS A 42 10.995 34.615 -21.288 1.00 43.04 C ATOM 640 O CYS A 42 10.203 33.775 -21.716 1.00 52.35 O ATOM 641 CB CYS A 42 10.029 36.866 -20.780 1.00 32.42 C ATOM 642 SG CYS A 42 9.169 36.631 -22.353 1.00 15.42 S ATOM 0 H CYS A 42 11.932 36.869 -19.213 1.00 53.14 H new ATOM 0 HA CYS A 42 9.815 35.101 -19.575 1.00 31.35 H new ATOM 0 HB2 CYS A 42 9.341 37.320 -20.066 1.00 32.42 H new ATOM 0 HB3 CYS A 42 10.847 37.571 -20.927 1.00 32.42 H new ATOM 0 HG CYS A 42 8.916 37.789 -22.886 1.00 15.42 H new ATOM 648 N ILE A 43 12.233 34.745 -21.753 1.00 25.14 N ATOM 649 CA ILE A 43 12.744 33.888 -22.815 1.00 62.22 C ATOM 650 C ILE A 43 13.133 32.516 -22.275 1.00 62.45 C ATOM 651 O ILE A 43 12.974 31.502 -22.955 1.00 62.14 O ATOM 652 CB ILE A 43 13.966 34.519 -23.509 1.00 75.05 C ATOM 653 CG1 ILE A 43 13.566 35.820 -24.208 1.00 4.51 C ATOM 654 CG2 ILE A 43 14.572 33.542 -24.505 1.00 64.31 C ATOM 655 CD1 ILE A 43 14.667 36.858 -24.226 1.00 54.43 C ATOM 0 H ILE A 43 12.901 35.436 -21.411 1.00 25.14 H new ATOM 0 HA ILE A 43 11.941 33.775 -23.543 1.00 62.22 H new ATOM 0 HB ILE A 43 14.717 34.750 -22.753 1.00 75.05 H new ATOM 0 HG12 ILE A 43 13.271 35.597 -25.233 1.00 4.51 H new ATOM 0 HG13 ILE A 43 12.692 36.238 -23.709 1.00 4.51 H new ATOM 0 HG21 ILE A 43 15.434 34.002 -24.987 1.00 64.31 H new ATOM 0 HG22 ILE A 43 14.887 32.639 -23.983 1.00 64.31 H new ATOM 0 HG23 ILE A 43 13.829 33.284 -25.260 1.00 64.31 H new ATOM 0 HD11 ILE A 43 14.314 37.754 -24.737 1.00 54.43 H new ATOM 0 HD12 ILE A 43 14.946 37.110 -23.203 1.00 54.43 H new ATOM 0 HD13 ILE A 43 15.535 36.459 -24.751 1.00 54.43 H new ATOM 667 N SER A 44 13.642 32.491 -21.048 1.00 2.22 N ATOM 668 CA SER A 44 14.056 31.243 -20.417 1.00 11.54 C ATOM 669 C SER A 44 12.844 30.391 -20.052 1.00 1.44 C ATOM 670 O SER A 44 12.819 29.187 -20.304 1.00 71.30 O ATOM 671 CB SER A 44 14.887 31.532 -19.165 1.00 33.43 C ATOM 672 OG SER A 44 15.635 30.393 -18.776 1.00 32.32 O ATOM 0 H SER A 44 13.778 33.321 -20.471 1.00 2.22 H new ATOM 0 HA SER A 44 14.666 30.688 -21.130 1.00 11.54 H new ATOM 0 HB2 SER A 44 15.562 32.366 -19.357 1.00 33.43 H new ATOM 0 HB3 SER A 44 14.230 31.835 -18.350 1.00 33.43 H new ATOM 0 HG SER A 44 16.159 30.604 -17.975 1.00 32.32 H new ATOM 678 N VAL A 45 11.840 31.026 -19.455 1.00 40.43 N ATOM 679 CA VAL A 45 10.624 30.329 -19.056 1.00 32.43 C ATOM 680 C VAL A 45 9.859 29.817 -20.271 1.00 41.34 C ATOM 681 O VAL A 45 9.180 28.791 -20.205 1.00 44.45 O ATOM 682 CB VAL A 45 9.699 31.241 -18.228 1.00 24.01 C ATOM 683 CG1 VAL A 45 9.264 32.446 -19.048 1.00 23.11 C ATOM 684 CG2 VAL A 45 8.492 30.462 -17.727 1.00 43.33 C ATOM 0 H VAL A 45 11.845 32.022 -19.237 1.00 40.43 H new ATOM 0 HA VAL A 45 10.933 29.483 -18.442 1.00 32.43 H new ATOM 0 HB VAL A 45 10.254 31.602 -17.362 1.00 24.01 H new ATOM 0 HG11 VAL A 45 8.611 33.079 -18.447 1.00 23.11 H new ATOM 0 HG12 VAL A 45 10.142 33.016 -19.352 1.00 23.11 H new ATOM 0 HG13 VAL A 45 8.726 32.108 -19.934 1.00 23.11 H new ATOM 0 HG21 VAL A 45 7.849 31.122 -17.144 1.00 43.33 H new ATOM 0 HG22 VAL A 45 7.934 30.070 -18.577 1.00 43.33 H new ATOM 0 HG23 VAL A 45 8.827 29.635 -17.100 1.00 43.33 H new ATOM 694 N LEU A 46 9.973 30.538 -21.381 1.00 43.23 N ATOM 695 CA LEU A 46 9.293 30.158 -22.614 1.00 72.43 C ATOM 696 C LEU A 46 9.963 28.946 -23.255 1.00 1.34 C ATOM 697 O LEU A 46 9.301 28.111 -23.873 1.00 1.44 O ATOM 698 CB LEU A 46 9.284 31.329 -23.598 1.00 1.22 C ATOM 699 CG LEU A 46 8.034 32.209 -23.582 1.00 52.51 C ATOM 700 CD1 LEU A 46 8.364 33.615 -24.061 1.00 23.44 C ATOM 701 CD2 LEU A 46 6.938 31.595 -24.441 1.00 43.33 C ATOM 0 H LEU A 46 10.530 31.389 -21.452 1.00 43.23 H new ATOM 0 HA LEU A 46 8.265 29.893 -22.365 1.00 72.43 H new ATOM 0 HB2 LEU A 46 10.150 31.958 -23.391 1.00 1.22 H new ATOM 0 HB3 LEU A 46 9.412 30.932 -24.605 1.00 1.22 H new ATOM 0 HG LEU A 46 7.671 32.272 -22.556 1.00 52.51 H new ATOM 0 HD11 LEU A 46 7.462 34.227 -24.043 1.00 23.44 H new ATOM 0 HD12 LEU A 46 9.115 34.056 -23.405 1.00 23.44 H new ATOM 0 HD13 LEU A 46 8.752 33.571 -25.079 1.00 23.44 H new ATOM 0 HD21 LEU A 46 6.056 32.235 -24.418 1.00 43.33 H new ATOM 0 HD22 LEU A 46 7.291 31.500 -25.468 1.00 43.33 H new ATOM 0 HD23 LEU A 46 6.681 30.609 -24.053 1.00 43.33 H new ATOM 713 N LEU A 47 11.279 28.855 -23.101 1.00 44.43 N ATOM 714 CA LEU A 47 12.040 27.744 -23.663 1.00 2.44 C ATOM 715 C LEU A 47 11.712 26.441 -22.942 1.00 61.31 C ATOM 716 O LEU A 47 11.306 25.461 -23.566 1.00 33.35 O ATOM 717 CB LEU A 47 13.540 28.029 -23.569 1.00 23.32 C ATOM 718 CG LEU A 47 14.467 26.869 -23.934 1.00 24.22 C ATOM 719 CD1 LEU A 47 15.598 27.351 -24.829 1.00 63.21 C ATOM 720 CD2 LEU A 47 15.022 26.213 -22.677 1.00 52.53 C ATOM 0 H LEU A 47 11.842 29.537 -22.592 1.00 44.43 H new ATOM 0 HA LEU A 47 11.762 27.638 -24.712 1.00 2.44 H new ATOM 0 HB2 LEU A 47 13.771 28.872 -24.221 1.00 23.32 H new ATOM 0 HB3 LEU A 47 13.767 28.343 -22.550 1.00 23.32 H new ATOM 0 HG LEU A 47 13.888 26.126 -24.482 1.00 24.22 H new ATOM 0 HD11 LEU A 47 16.247 26.512 -25.078 1.00 63.21 H new ATOM 0 HD12 LEU A 47 15.183 27.773 -25.744 1.00 63.21 H new ATOM 0 HD13 LEU A 47 16.175 28.114 -24.307 1.00 63.21 H new ATOM 0 HD21 LEU A 47 15.679 25.390 -22.956 1.00 52.53 H new ATOM 0 HD22 LEU A 47 15.585 26.948 -22.101 1.00 52.53 H new ATOM 0 HD23 LEU A 47 14.199 25.831 -22.072 1.00 52.53 H new ATOM 732 N ALA A 48 11.890 26.438 -21.625 1.00 34.30 N ATOM 733 CA ALA A 48 11.608 25.256 -20.819 1.00 4.31 C ATOM 734 C ALA A 48 10.160 24.809 -20.987 1.00 1.24 C ATOM 735 O ALA A 48 9.887 23.633 -21.232 1.00 11.43 O ATOM 736 CB ALA A 48 11.911 25.533 -19.354 1.00 22.33 C ATOM 0 H ALA A 48 12.228 27.240 -21.094 1.00 34.30 H new ATOM 0 HA ALA A 48 12.252 24.448 -21.166 1.00 4.31 H new ATOM 0 HB1 ALA A 48 11.696 24.642 -18.763 1.00 22.33 H new ATOM 0 HB2 ALA A 48 12.963 25.797 -19.244 1.00 22.33 H new ATOM 0 HB3 ALA A 48 11.291 26.359 -19.004 1.00 22.33 H new ATOM 742 N LEU A 49 9.235 25.753 -20.853 1.00 3.35 N ATOM 743 CA LEU A 49 7.814 25.456 -20.989 1.00 15.43 C ATOM 744 C LEU A 49 7.503 24.905 -22.377 1.00 11.33 C ATOM 745 O LEU A 49 6.667 24.015 -22.531 1.00 35.54 O ATOM 746 CB LEU A 49 6.983 26.714 -20.729 1.00 54.32 C ATOM 747 CG LEU A 49 5.488 26.606 -21.034 1.00 1.10 C ATOM 748 CD1 LEU A 49 4.869 25.448 -20.266 1.00 42.34 C ATOM 749 CD2 LEU A 49 4.780 27.910 -20.698 1.00 54.32 C ATOM 0 H LEU A 49 9.444 26.731 -20.650 1.00 3.35 H new ATOM 0 HA LEU A 49 7.554 24.697 -20.251 1.00 15.43 H new ATOM 0 HB2 LEU A 49 7.101 26.993 -19.682 1.00 54.32 H new ATOM 0 HB3 LEU A 49 7.397 27.528 -21.324 1.00 54.32 H new ATOM 0 HG LEU A 49 5.367 26.414 -22.100 1.00 1.10 H new ATOM 0 HD11 LEU A 49 3.805 25.387 -20.495 1.00 42.34 H new ATOM 0 HD12 LEU A 49 5.357 24.517 -20.555 1.00 42.34 H new ATOM 0 HD13 LEU A 49 5.001 25.609 -19.196 1.00 42.34 H new ATOM 0 HD21 LEU A 49 3.717 27.815 -20.921 1.00 54.32 H new ATOM 0 HD22 LEU A 49 4.910 28.132 -19.639 1.00 54.32 H new ATOM 0 HD23 LEU A 49 5.205 28.718 -21.293 1.00 54.32 H new ATOM 761 N THR A 50 8.184 25.440 -23.386 1.00 74.40 N ATOM 762 CA THR A 50 7.981 25.001 -24.761 1.00 45.11 C ATOM 763 C THR A 50 8.332 23.527 -24.925 1.00 64.33 C ATOM 764 O THR A 50 7.647 22.790 -25.635 1.00 42.41 O ATOM 765 CB THR A 50 8.827 25.831 -25.745 1.00 40.05 C ATOM 766 OG1 THR A 50 8.164 27.065 -26.042 1.00 35.14 O ATOM 767 CG2 THR A 50 9.071 25.059 -27.033 1.00 45.02 C ATOM 0 H THR A 50 8.880 26.177 -23.277 1.00 74.40 H new ATOM 0 HA THR A 50 6.925 25.147 -24.987 1.00 45.11 H new ATOM 0 HB THR A 50 9.789 26.039 -25.276 1.00 40.05 H new ATOM 0 HG1 THR A 50 8.355 27.717 -25.336 1.00 35.14 H new ATOM 0 HG21 THR A 50 9.670 25.665 -27.712 1.00 45.02 H new ATOM 0 HG22 THR A 50 9.602 24.134 -26.808 1.00 45.02 H new ATOM 0 HG23 THR A 50 8.116 24.824 -27.503 1.00 45.02 H new ATOM 775 N VAL A 51 9.404 23.101 -24.264 1.00 1.00 N ATOM 776 CA VAL A 51 9.845 21.713 -24.335 1.00 40.13 C ATOM 777 C VAL A 51 8.745 20.763 -23.876 1.00 60.30 C ATOM 778 O VAL A 51 8.290 19.909 -24.637 1.00 72.31 O ATOM 779 CB VAL A 51 11.102 21.479 -23.477 1.00 22.21 C ATOM 780 CG1 VAL A 51 11.384 19.991 -23.337 1.00 34.43 C ATOM 781 CG2 VAL A 51 12.299 22.202 -24.077 1.00 33.23 C ATOM 0 H VAL A 51 9.983 23.698 -23.673 1.00 1.00 H new ATOM 0 HA VAL A 51 10.084 21.510 -25.379 1.00 40.13 H new ATOM 0 HB VAL A 51 10.922 21.886 -22.482 1.00 22.21 H new ATOM 0 HG11 VAL A 51 12.276 19.845 -22.728 1.00 34.43 H new ATOM 0 HG12 VAL A 51 10.534 19.503 -22.859 1.00 34.43 H new ATOM 0 HG13 VAL A 51 11.544 19.557 -24.324 1.00 34.43 H new ATOM 0 HG21 VAL A 51 13.178 22.026 -23.458 1.00 33.23 H new ATOM 0 HG22 VAL A 51 12.483 21.827 -25.084 1.00 33.23 H new ATOM 0 HG23 VAL A 51 12.094 23.272 -24.120 1.00 33.23 H new ATOM 791 N PHE A 52 8.321 20.917 -22.626 1.00 23.00 N ATOM 792 CA PHE A 52 7.274 20.072 -22.064 1.00 21.00 C ATOM 793 C PHE A 52 5.970 20.234 -22.839 1.00 53.40 C ATOM 794 O PHE A 52 5.304 19.252 -23.169 1.00 51.14 O ATOM 795 CB PHE A 52 7.050 20.414 -20.589 1.00 62.54 C ATOM 796 CG PHE A 52 7.708 19.450 -19.644 1.00 64.42 C ATOM 797 CD1 PHE A 52 7.398 18.100 -19.682 1.00 72.15 C ATOM 798 CD2 PHE A 52 8.637 19.893 -18.717 1.00 5.41 C ATOM 799 CE1 PHE A 52 8.002 17.210 -18.814 1.00 40.13 C ATOM 800 CE2 PHE A 52 9.245 19.008 -17.847 1.00 1.34 C ATOM 801 CZ PHE A 52 8.926 17.665 -17.894 1.00 42.25 C ATOM 0 H PHE A 52 8.687 21.619 -21.983 1.00 23.00 H new ATOM 0 HA PHE A 52 7.597 19.034 -22.144 1.00 21.00 H new ATOM 0 HB2 PHE A 52 7.430 21.417 -20.395 1.00 62.54 H new ATOM 0 HB3 PHE A 52 5.979 20.434 -20.387 1.00 62.54 H new ATOM 0 HD1 PHE A 52 6.675 17.739 -20.399 1.00 72.15 H new ATOM 0 HD2 PHE A 52 8.889 20.942 -18.674 1.00 5.41 H new ATOM 0 HE1 PHE A 52 7.752 16.160 -18.855 1.00 40.13 H new ATOM 0 HE2 PHE A 52 9.969 19.366 -17.131 1.00 1.34 H new ATOM 0 HZ PHE A 52 9.398 16.972 -17.213 1.00 42.25 H new ATOM 811 N LEU A 53 5.610 21.481 -23.126 1.00 23.35 N ATOM 812 CA LEU A 53 4.385 21.774 -23.861 1.00 62.34 C ATOM 813 C LEU A 53 4.359 21.030 -25.193 1.00 51.51 C ATOM 814 O LEU A 53 3.327 20.491 -25.595 1.00 22.52 O ATOM 815 CB LEU A 53 4.259 23.279 -24.102 1.00 1.11 C ATOM 816 CG LEU A 53 3.010 23.736 -24.856 1.00 70.14 C ATOM 817 CD1 LEU A 53 2.172 24.663 -23.990 1.00 3.31 C ATOM 818 CD2 LEU A 53 3.395 24.423 -26.159 1.00 31.24 C ATOM 0 H LEU A 53 6.150 22.305 -22.861 1.00 23.35 H new ATOM 0 HA LEU A 53 3.540 21.437 -23.260 1.00 62.34 H new ATOM 0 HB2 LEU A 53 4.281 23.784 -23.136 1.00 1.11 H new ATOM 0 HB3 LEU A 53 5.136 23.613 -24.657 1.00 1.11 H new ATOM 0 HG LEU A 53 2.412 22.857 -25.095 1.00 70.14 H new ATOM 0 HD11 LEU A 53 1.288 24.978 -24.544 1.00 3.31 H new ATOM 0 HD12 LEU A 53 1.866 24.138 -23.085 1.00 3.31 H new ATOM 0 HD13 LEU A 53 2.761 25.539 -23.719 1.00 3.31 H new ATOM 0 HD21 LEU A 53 2.494 24.742 -26.682 1.00 31.24 H new ATOM 0 HD22 LEU A 53 4.015 25.293 -25.942 1.00 31.24 H new ATOM 0 HD23 LEU A 53 3.952 23.727 -26.786 1.00 31.24 H new ATOM 830 N LEU A 54 5.500 21.005 -25.873 1.00 31.42 N ATOM 831 CA LEU A 54 5.609 20.325 -27.159 1.00 41.11 C ATOM 832 C LEU A 54 5.311 18.836 -27.015 1.00 54.24 C ATOM 833 O LEU A 54 4.718 18.222 -27.904 1.00 11.32 O ATOM 834 CB LEU A 54 7.008 20.522 -27.745 1.00 42.21 C ATOM 835 CG LEU A 54 7.347 19.676 -28.973 1.00 52.41 C ATOM 836 CD1 LEU A 54 7.929 20.546 -30.076 1.00 51.34 C ATOM 837 CD2 LEU A 54 8.315 18.562 -28.603 1.00 1.41 C ATOM 0 H LEU A 54 6.362 21.448 -25.555 1.00 31.42 H new ATOM 0 HA LEU A 54 4.873 20.760 -27.836 1.00 41.11 H new ATOM 0 HB2 LEU A 54 7.125 21.573 -28.009 1.00 42.21 H new ATOM 0 HB3 LEU A 54 7.740 20.306 -26.967 1.00 42.21 H new ATOM 0 HG LEU A 54 6.427 19.223 -29.343 1.00 52.41 H new ATOM 0 HD11 LEU A 54 8.164 19.927 -30.942 1.00 51.34 H new ATOM 0 HD12 LEU A 54 7.202 21.307 -30.361 1.00 51.34 H new ATOM 0 HD13 LEU A 54 8.838 21.029 -29.717 1.00 51.34 H new ATOM 0 HD21 LEU A 54 8.545 17.970 -29.489 1.00 1.41 H new ATOM 0 HD22 LEU A 54 9.234 18.995 -28.207 1.00 1.41 H new ATOM 0 HD23 LEU A 54 7.861 17.922 -27.847 1.00 1.41 H new ATOM 849 N LEU A 55 5.723 18.261 -25.891 1.00 52.40 N ATOM 850 CA LEU A 55 5.498 16.844 -25.629 1.00 53.02 C ATOM 851 C LEU A 55 4.006 16.530 -25.580 1.00 30.45 C ATOM 852 O LEU A 55 3.499 15.751 -26.388 1.00 14.52 O ATOM 853 CB LEU A 55 6.160 16.437 -24.312 1.00 4.01 C ATOM 854 CG LEU A 55 6.247 14.935 -24.040 1.00 71.22 C ATOM 855 CD1 LEU A 55 7.685 14.524 -23.768 1.00 25.53 C ATOM 856 CD2 LEU A 55 5.350 14.552 -22.872 1.00 23.32 C ATOM 0 H LEU A 55 6.215 18.754 -25.146 1.00 52.40 H new ATOM 0 HA LEU A 55 5.944 16.274 -26.444 1.00 53.02 H new ATOM 0 HB2 LEU A 55 7.169 16.848 -24.294 1.00 4.01 H new ATOM 0 HB3 LEU A 55 5.611 16.903 -23.494 1.00 4.01 H new ATOM 0 HG LEU A 55 5.901 14.404 -24.927 1.00 71.22 H new ATOM 0 HD11 LEU A 55 7.727 13.452 -23.577 1.00 25.53 H new ATOM 0 HD12 LEU A 55 8.302 14.762 -24.635 1.00 25.53 H new ATOM 0 HD13 LEU A 55 8.059 15.063 -22.897 1.00 25.53 H new ATOM 0 HD21 LEU A 55 5.424 13.479 -22.693 1.00 23.32 H new ATOM 0 HD22 LEU A 55 5.665 15.092 -21.979 1.00 23.32 H new ATOM 0 HD23 LEU A 55 4.317 14.810 -23.107 1.00 23.32 H new ATOM 868 N ILE A 56 3.309 17.141 -24.628 1.00 2.03 N ATOM 869 CA ILE A 56 1.875 16.929 -24.475 1.00 62.35 C ATOM 870 C ILE A 56 1.113 17.428 -25.698 1.00 13.52 C ATOM 871 O ILE A 56 0.031 16.932 -26.013 1.00 44.14 O ATOM 872 CB ILE A 56 1.331 17.637 -23.220 1.00 63.44 C ATOM 873 CG1 ILE A 56 2.054 17.132 -21.970 1.00 24.10 C ATOM 874 CG2 ILE A 56 -0.169 17.416 -23.096 1.00 41.54 C ATOM 875 CD1 ILE A 56 3.076 18.107 -21.428 1.00 12.13 C ATOM 0 H ILE A 56 3.714 17.787 -23.951 1.00 2.03 H new ATOM 0 HA ILE A 56 1.724 15.855 -24.369 1.00 62.35 H new ATOM 0 HB ILE A 56 1.514 18.707 -23.316 1.00 63.44 H new ATOM 0 HG12 ILE A 56 1.318 16.921 -21.194 1.00 24.10 H new ATOM 0 HG13 ILE A 56 2.550 16.190 -22.203 1.00 24.10 H new ATOM 0 HG21 ILE A 56 -0.539 17.922 -22.204 1.00 41.54 H new ATOM 0 HG22 ILE A 56 -0.670 17.819 -23.976 1.00 41.54 H new ATOM 0 HG23 ILE A 56 -0.374 16.348 -23.018 1.00 41.54 H new ATOM 0 HD11 ILE A 56 3.549 17.683 -20.542 1.00 12.13 H new ATOM 0 HD12 ILE A 56 3.834 18.299 -22.187 1.00 12.13 H new ATOM 0 HD13 ILE A 56 2.582 19.042 -21.163 1.00 12.13 H new ATOM 1056 N SER A 69 -2.770 12.042 -16.085 1.00 14.32 N ATOM 1057 CA SER A 69 -3.570 13.176 -16.534 1.00 33.05 C ATOM 1058 C SER A 69 -2.701 14.416 -16.715 1.00 42.40 C ATOM 1059 O SER A 69 -2.520 15.204 -15.786 1.00 32.42 O ATOM 1060 CB SER A 69 -4.690 13.466 -15.532 1.00 25.14 C ATOM 1061 OG SER A 69 -5.242 12.264 -15.023 1.00 13.43 O ATOM 0 HA SER A 69 -4.011 12.919 -17.497 1.00 33.05 H new ATOM 0 HB2 SER A 69 -4.301 14.068 -14.711 1.00 25.14 H new ATOM 0 HB3 SER A 69 -5.471 14.053 -16.015 1.00 25.14 H new ATOM 0 HG SER A 69 -4.544 11.578 -14.975 1.00 13.43 H new ATOM 1067 N VAL A 70 -2.164 14.584 -17.919 1.00 40.05 N ATOM 1068 CA VAL A 70 -1.314 15.728 -18.225 1.00 41.51 C ATOM 1069 C VAL A 70 -2.142 16.996 -18.406 1.00 32.50 C ATOM 1070 O VAL A 70 -1.663 18.103 -18.167 1.00 25.23 O ATOM 1071 CB VAL A 70 -0.482 15.486 -19.499 1.00 33.24 C ATOM 1072 CG1 VAL A 70 0.427 14.280 -19.321 1.00 23.33 C ATOM 1073 CG2 VAL A 70 -1.394 15.304 -20.703 1.00 24.41 C ATOM 0 H VAL A 70 -2.303 13.942 -18.699 1.00 40.05 H new ATOM 0 HA VAL A 70 -0.639 15.855 -17.378 1.00 41.51 H new ATOM 0 HB VAL A 70 0.145 16.360 -19.675 1.00 33.24 H new ATOM 0 HG11 VAL A 70 1.007 14.124 -20.231 1.00 23.33 H new ATOM 0 HG12 VAL A 70 1.104 14.455 -18.485 1.00 23.33 H new ATOM 0 HG13 VAL A 70 -0.177 13.395 -19.120 1.00 23.33 H new ATOM 0 HG21 VAL A 70 -0.790 15.134 -21.594 1.00 24.41 H new ATOM 0 HG22 VAL A 70 -2.047 14.447 -20.538 1.00 24.41 H new ATOM 0 HG23 VAL A 70 -1.999 16.200 -20.840 1.00 24.41 H new ATOM 1083 N GLY A 71 -3.391 16.824 -18.830 1.00 43.53 N ATOM 1084 CA GLY A 71 -4.267 17.963 -19.036 1.00 21.02 C ATOM 1085 C GLY A 71 -4.541 18.723 -17.753 1.00 70.40 C ATOM 1086 O GLY A 71 -4.781 19.929 -17.779 1.00 14.14 O ATOM 0 H GLY A 71 -3.811 15.917 -19.034 1.00 43.53 H new ATOM 0 HA2 GLY A 71 -3.816 18.637 -19.765 1.00 21.02 H new ATOM 0 HA3 GLY A 71 -5.211 17.620 -19.460 1.00 21.02 H new ATOM 1090 N GLU A 72 -4.507 18.014 -16.629 1.00 5.24 N ATOM 1091 CA GLU A 72 -4.756 18.630 -15.331 1.00 10.14 C ATOM 1092 C GLU A 72 -3.717 19.706 -15.030 1.00 43.43 C ATOM 1093 O GLU A 72 -4.049 20.883 -14.886 1.00 75.01 O ATOM 1094 CB GLU A 72 -4.742 17.570 -14.227 1.00 51.22 C ATOM 1095 CG GLU A 72 -6.117 17.267 -13.657 1.00 75.01 C ATOM 1096 CD GLU A 72 -6.139 17.293 -12.141 1.00 73.21 C ATOM 1097 OE1 GLU A 72 -5.659 16.320 -11.524 1.00 24.24 O ATOM 1098 OE2 GLU A 72 -6.637 18.287 -11.572 1.00 52.15 O ATOM 0 H GLU A 72 -4.310 17.014 -16.591 1.00 5.24 H new ATOM 0 HA GLU A 72 -5.740 19.098 -15.363 1.00 10.14 H new ATOM 0 HB2 GLU A 72 -4.312 16.650 -14.623 1.00 51.22 H new ATOM 0 HB3 GLU A 72 -4.090 17.906 -13.421 1.00 51.22 H new ATOM 0 HG2 GLU A 72 -6.833 17.994 -14.039 1.00 75.01 H new ATOM 0 HG3 GLU A 72 -6.442 16.286 -14.005 1.00 75.01 H new ATOM 1105 N TYR A 73 -2.457 19.294 -14.937 1.00 54.40 N ATOM 1106 CA TYR A 73 -1.369 20.222 -14.651 1.00 31.41 C ATOM 1107 C TYR A 73 -1.163 21.193 -15.809 1.00 3.43 C ATOM 1108 O TYR A 73 -0.661 22.303 -15.622 1.00 62.31 O ATOM 1109 CB TYR A 73 -0.075 19.453 -14.378 1.00 42.35 C ATOM 1110 CG TYR A 73 -0.251 18.285 -13.435 1.00 73.34 C ATOM 1111 CD1 TYR A 73 -0.378 18.485 -12.066 1.00 60.02 C ATOM 1112 CD2 TYR A 73 -0.291 16.981 -13.913 1.00 24.30 C ATOM 1113 CE1 TYR A 73 -0.539 17.420 -11.200 1.00 42.44 C ATOM 1114 CE2 TYR A 73 -0.453 15.910 -13.055 1.00 5.31 C ATOM 1115 CZ TYR A 73 -0.576 16.135 -11.700 1.00 1.24 C ATOM 1116 OH TYR A 73 -0.736 15.071 -10.841 1.00 40.55 O ATOM 0 H TYR A 73 -2.164 18.324 -15.055 1.00 54.40 H new ATOM 0 HA TYR A 73 -1.637 20.796 -13.764 1.00 31.41 H new ATOM 0 HB2 TYR A 73 0.327 19.088 -15.323 1.00 42.35 H new ATOM 0 HB3 TYR A 73 0.663 20.138 -13.961 1.00 42.35 H new ATOM 0 HD1 TYR A 73 -0.350 19.490 -11.672 1.00 60.02 H new ATOM 0 HD2 TYR A 73 -0.194 16.801 -14.974 1.00 24.30 H new ATOM 0 HE1 TYR A 73 -0.635 17.593 -10.138 1.00 42.44 H new ATOM 0 HE2 TYR A 73 -0.483 14.903 -13.443 1.00 5.31 H new ATOM 0 HH TYR A 73 -0.742 14.235 -11.353 1.00 40.55 H new ATOM 1126 N LEU A 74 -1.554 20.769 -17.005 1.00 51.22 N ATOM 1127 CA LEU A 74 -1.414 21.601 -18.195 1.00 62.14 C ATOM 1128 C LEU A 74 -2.368 22.790 -18.145 1.00 33.33 C ATOM 1129 O LEU A 74 -1.983 23.921 -18.439 1.00 23.41 O ATOM 1130 CB LEU A 74 -1.678 20.773 -19.454 1.00 55.12 C ATOM 1131 CG LEU A 74 -1.626 21.533 -20.780 1.00 60.53 C ATOM 1132 CD1 LEU A 74 -0.357 22.367 -20.868 1.00 34.21 C ATOM 1133 CD2 LEU A 74 -1.713 20.566 -21.952 1.00 63.23 C ATOM 0 H LEU A 74 -1.971 19.854 -17.177 1.00 51.22 H new ATOM 0 HA LEU A 74 -0.393 21.980 -18.224 1.00 62.14 H new ATOM 0 HB2 LEU A 74 -0.948 19.965 -19.493 1.00 55.12 H new ATOM 0 HB3 LEU A 74 -2.661 20.311 -19.361 1.00 55.12 H new ATOM 0 HG LEU A 74 -2.482 22.206 -20.825 1.00 60.53 H new ATOM 0 HD11 LEU A 74 -0.337 22.901 -21.818 1.00 34.21 H new ATOM 0 HD12 LEU A 74 -0.336 23.085 -20.048 1.00 34.21 H new ATOM 0 HD13 LEU A 74 0.513 21.714 -20.801 1.00 34.21 H new ATOM 0 HD21 LEU A 74 -1.675 21.124 -22.888 1.00 63.23 H new ATOM 0 HD22 LEU A 74 -0.877 19.868 -21.911 1.00 63.23 H new ATOM 0 HD23 LEU A 74 -2.650 20.012 -21.898 1.00 63.23 H new ATOM 1145 N MET A 75 -3.615 22.525 -17.768 1.00 1.34 N ATOM 1146 CA MET A 75 -4.624 23.574 -17.675 1.00 4.31 C ATOM 1147 C MET A 75 -4.178 24.674 -16.716 1.00 70.21 C ATOM 1148 O MET A 75 -4.195 25.856 -17.060 1.00 71.22 O ATOM 1149 CB MET A 75 -5.959 22.988 -17.212 1.00 41.22 C ATOM 1150 CG MET A 75 -7.045 24.033 -17.015 1.00 75.33 C ATOM 1151 SD MET A 75 -8.685 23.304 -16.836 1.00 0.12 S ATOM 1152 CE MET A 75 -8.443 22.277 -15.388 1.00 44.43 C ATOM 0 H MET A 75 -3.951 21.594 -17.522 1.00 1.34 H new ATOM 0 HA MET A 75 -4.751 24.010 -18.666 1.00 4.31 H new ATOM 0 HB2 MET A 75 -6.299 22.256 -17.945 1.00 41.22 H new ATOM 0 HB3 MET A 75 -5.806 22.453 -16.275 1.00 41.22 H new ATOM 0 HG2 MET A 75 -6.817 24.626 -16.130 1.00 75.33 H new ATOM 0 HG3 MET A 75 -7.046 24.716 -17.865 1.00 75.33 H new ATOM 0 HE1 MET A 75 -9.338 22.307 -14.767 1.00 44.43 H new ATOM 0 HE2 MET A 75 -8.250 21.250 -15.698 1.00 44.43 H new ATOM 0 HE3 MET A 75 -7.593 22.649 -14.816 1.00 44.43 H new ATOM 1162 N PHE A 76 -3.780 24.277 -15.512 1.00 1.01 N ATOM 1163 CA PHE A 76 -3.331 25.229 -14.503 1.00 10.32 C ATOM 1164 C PHE A 76 -2.076 25.963 -14.967 1.00 54.14 C ATOM 1165 O PHE A 76 -1.798 27.080 -14.530 1.00 2.10 O ATOM 1166 CB PHE A 76 -3.055 24.511 -13.180 1.00 51.12 C ATOM 1167 CG PHE A 76 -4.227 23.722 -12.671 1.00 12.03 C ATOM 1168 CD1 PHE A 76 -5.508 24.247 -12.723 1.00 12.31 C ATOM 1169 CD2 PHE A 76 -4.048 22.455 -12.139 1.00 42.11 C ATOM 1170 CE1 PHE A 76 -6.589 23.524 -12.255 1.00 71.32 C ATOM 1171 CE2 PHE A 76 -5.125 21.727 -11.670 1.00 63.34 C ATOM 1172 CZ PHE A 76 -6.397 22.262 -11.727 1.00 43.13 C ATOM 0 H PHE A 76 -3.759 23.303 -15.211 1.00 1.01 H new ATOM 0 HA PHE A 76 -4.124 25.961 -14.353 1.00 10.32 H new ATOM 0 HB2 PHE A 76 -2.205 23.841 -13.310 1.00 51.12 H new ATOM 0 HB3 PHE A 76 -2.769 25.247 -12.429 1.00 51.12 H new ATOM 0 HD1 PHE A 76 -5.664 25.233 -13.134 1.00 12.31 H new ATOM 0 HD2 PHE A 76 -3.056 22.032 -12.090 1.00 42.11 H new ATOM 0 HE1 PHE A 76 -7.582 23.945 -12.302 1.00 71.32 H new ATOM 0 HE2 PHE A 76 -4.972 20.740 -11.259 1.00 63.34 H new ATOM 0 HZ PHE A 76 -7.240 21.695 -11.360 1.00 43.13 H new ATOM 1182 N THR A 77 -1.321 25.327 -15.857 1.00 71.44 N ATOM 1183 CA THR A 77 -0.095 25.916 -16.381 1.00 14.34 C ATOM 1184 C THR A 77 -0.401 26.984 -17.425 1.00 31.11 C ATOM 1185 O THR A 77 0.103 28.104 -17.347 1.00 21.20 O ATOM 1186 CB THR A 77 0.819 24.847 -17.008 1.00 51.33 C ATOM 1187 OG1 THR A 77 1.575 24.188 -15.986 1.00 74.44 O ATOM 1188 CG2 THR A 77 1.765 25.472 -18.022 1.00 42.33 C ATOM 0 H THR A 77 -1.537 24.403 -16.230 1.00 71.44 H new ATOM 0 HA THR A 77 0.421 26.374 -15.537 1.00 14.34 H new ATOM 0 HB THR A 77 0.191 24.119 -17.521 1.00 51.33 H new ATOM 0 HG1 THR A 77 1.061 23.430 -15.636 1.00 74.44 H new ATOM 0 HG21 THR A 77 2.401 24.698 -18.452 1.00 42.33 H new ATOM 0 HG22 THR A 77 1.187 25.948 -18.814 1.00 42.33 H new ATOM 0 HG23 THR A 77 2.386 26.219 -17.528 1.00 42.33 H new ATOM 1196 N MET A 78 -1.230 26.630 -18.401 1.00 73.22 N ATOM 1197 CA MET A 78 -1.604 27.560 -19.460 1.00 74.34 C ATOM 1198 C MET A 78 -2.259 28.810 -18.880 1.00 62.35 C ATOM 1199 O MET A 78 -2.046 29.918 -19.371 1.00 42.51 O ATOM 1200 CB MET A 78 -2.556 26.884 -20.449 1.00 71.33 C ATOM 1201 CG MET A 78 -2.204 27.142 -21.905 1.00 64.22 C ATOM 1202 SD MET A 78 -2.858 25.878 -23.013 1.00 4.13 S ATOM 1203 CE MET A 78 -1.366 24.968 -23.406 1.00 41.03 C ATOM 0 H MET A 78 -1.655 25.706 -18.481 1.00 73.22 H new ATOM 0 HA MET A 78 -0.696 27.857 -19.985 1.00 74.34 H new ATOM 0 HB2 MET A 78 -2.552 25.809 -20.268 1.00 71.33 H new ATOM 0 HB3 MET A 78 -3.571 27.235 -20.261 1.00 71.33 H new ATOM 0 HG2 MET A 78 -2.593 28.116 -22.202 1.00 64.22 H new ATOM 0 HG3 MET A 78 -1.120 27.186 -22.010 1.00 64.22 H new ATOM 0 HE1 MET A 78 -1.600 23.908 -23.498 1.00 41.03 H new ATOM 0 HE2 MET A 78 -0.955 25.332 -24.348 1.00 41.03 H new ATOM 0 HE3 MET A 78 -0.633 25.110 -22.611 1.00 41.03 H new ATOM 1213 N VAL A 79 -3.056 28.623 -17.834 1.00 14.24 N ATOM 1214 CA VAL A 79 -3.741 29.736 -17.187 1.00 33.15 C ATOM 1215 C VAL A 79 -2.744 30.738 -16.616 1.00 51.23 C ATOM 1216 O VAL A 79 -2.711 31.900 -17.026 1.00 31.53 O ATOM 1217 CB VAL A 79 -4.664 29.245 -16.055 1.00 3.53 C ATOM 1218 CG1 VAL A 79 -4.932 30.366 -15.061 1.00 60.51 C ATOM 1219 CG2 VAL A 79 -5.966 28.705 -16.626 1.00 21.13 C ATOM 0 H VAL A 79 -3.244 27.712 -17.416 1.00 14.24 H new ATOM 0 HA VAL A 79 -4.344 30.224 -17.952 1.00 33.15 H new ATOM 0 HB VAL A 79 -4.163 28.435 -15.526 1.00 3.53 H new ATOM 0 HG11 VAL A 79 -5.586 30.001 -14.269 1.00 60.51 H new ATOM 0 HG12 VAL A 79 -3.990 30.702 -14.628 1.00 60.51 H new ATOM 0 HG13 VAL A 79 -5.413 31.199 -15.573 1.00 60.51 H new ATOM 0 HG21 VAL A 79 -6.606 28.363 -15.813 1.00 21.13 H new ATOM 0 HG22 VAL A 79 -6.475 29.493 -17.181 1.00 21.13 H new ATOM 0 HG23 VAL A 79 -5.752 27.871 -17.295 1.00 21.13 H new ATOM 1229 N LEU A 80 -1.932 30.282 -15.669 1.00 44.43 N ATOM 1230 CA LEU A 80 -0.931 31.139 -15.042 1.00 14.12 C ATOM 1231 C LEU A 80 0.021 31.718 -16.084 1.00 32.35 C ATOM 1232 O LEU A 80 0.269 32.923 -16.112 1.00 12.23 O ATOM 1233 CB LEU A 80 -0.142 30.352 -13.994 1.00 52.11 C ATOM 1234 CG LEU A 80 -0.244 30.860 -12.555 1.00 54.15 C ATOM 1235 CD1 LEU A 80 -1.664 30.701 -12.033 1.00 24.12 C ATOM 1236 CD2 LEU A 80 0.742 30.125 -11.659 1.00 54.31 C ATOM 0 H LEU A 80 -1.947 29.324 -15.318 1.00 44.43 H new ATOM 0 HA LEU A 80 -1.449 31.964 -14.553 1.00 14.12 H new ATOM 0 HB2 LEU A 80 -0.479 29.316 -14.017 1.00 52.11 H new ATOM 0 HB3 LEU A 80 0.909 30.352 -14.284 1.00 52.11 H new ATOM 0 HG LEU A 80 0.008 31.920 -12.545 1.00 54.15 H new ATOM 0 HD11 LEU A 80 -1.718 31.067 -11.008 1.00 24.12 H new ATOM 0 HD12 LEU A 80 -2.348 31.273 -12.659 1.00 24.12 H new ATOM 0 HD13 LEU A 80 -1.945 29.648 -12.057 1.00 24.12 H new ATOM 0 HD21 LEU A 80 0.656 30.499 -10.639 1.00 54.31 H new ATOM 0 HD22 LEU A 80 0.521 29.058 -11.674 1.00 54.31 H new ATOM 0 HD23 LEU A 80 1.756 30.291 -12.022 1.00 54.31 H new ATOM 1248 N VAL A 81 0.550 30.850 -16.940 1.00 43.34 N ATOM 1249 CA VAL A 81 1.473 31.275 -17.987 1.00 14.24 C ATOM 1250 C VAL A 81 0.850 32.358 -18.861 1.00 64.44 C ATOM 1251 O VAL A 81 1.488 33.365 -19.170 1.00 53.14 O ATOM 1252 CB VAL A 81 1.896 30.091 -18.877 1.00 13.44 C ATOM 1253 CG1 VAL A 81 2.390 30.588 -20.227 1.00 14.12 C ATOM 1254 CG2 VAL A 81 2.963 29.258 -18.183 1.00 12.43 C ATOM 0 H VAL A 81 0.356 29.849 -16.930 1.00 43.34 H new ATOM 0 HA VAL A 81 2.355 31.677 -17.488 1.00 14.24 H new ATOM 0 HB VAL A 81 1.026 29.457 -19.047 1.00 13.44 H new ATOM 0 HG11 VAL A 81 2.684 29.738 -20.842 1.00 14.12 H new ATOM 0 HG12 VAL A 81 1.592 31.138 -20.726 1.00 14.12 H new ATOM 0 HG13 VAL A 81 3.248 31.245 -20.081 1.00 14.12 H new ATOM 0 HG21 VAL A 81 3.250 28.426 -18.826 1.00 12.43 H new ATOM 0 HG22 VAL A 81 3.836 29.879 -17.982 1.00 12.43 H new ATOM 0 HG23 VAL A 81 2.569 28.871 -17.243 1.00 12.43 H new ATOM 1264 N THR A 82 -0.400 32.144 -19.258 1.00 73.24 N ATOM 1265 CA THR A 82 -1.110 33.100 -20.098 1.00 44.35 C ATOM 1266 C THR A 82 -1.157 34.477 -19.445 1.00 71.30 C ATOM 1267 O THR A 82 -1.049 35.500 -20.121 1.00 53.01 O ATOM 1268 CB THR A 82 -2.548 32.633 -20.390 1.00 52.23 C ATOM 1269 OG1 THR A 82 -2.539 31.621 -21.403 1.00 44.12 O ATOM 1270 CG2 THR A 82 -3.415 33.800 -20.840 1.00 31.41 C ATOM 0 H THR A 82 -0.942 31.316 -19.011 1.00 73.24 H new ATOM 0 HA THR A 82 -0.560 33.165 -21.037 1.00 44.35 H new ATOM 0 HB THR A 82 -2.966 32.223 -19.471 1.00 52.23 H new ATOM 0 HG1 THR A 82 -2.349 30.751 -20.994 1.00 44.12 H new ATOM 0 HG21 THR A 82 -4.426 33.446 -21.041 1.00 31.41 H new ATOM 0 HG22 THR A 82 -3.444 34.556 -20.055 1.00 31.41 H new ATOM 0 HG23 THR A 82 -2.997 34.236 -21.747 1.00 31.41 H new ATOM 1278 N PHE A 83 -1.318 34.495 -18.126 1.00 54.11 N ATOM 1279 CA PHE A 83 -1.380 35.747 -17.381 1.00 15.02 C ATOM 1280 C PHE A 83 -0.048 36.487 -17.448 1.00 65.32 C ATOM 1281 O PHE A 83 -0.008 37.699 -17.658 1.00 0.02 O ATOM 1282 CB PHE A 83 -1.755 35.479 -15.922 1.00 25.43 C ATOM 1283 CG PHE A 83 -3.208 35.709 -15.623 1.00 54.24 C ATOM 1284 CD1 PHE A 83 -3.800 36.931 -15.898 1.00 54.34 C ATOM 1285 CD2 PHE A 83 -3.983 34.704 -15.067 1.00 70.24 C ATOM 1286 CE1 PHE A 83 -5.138 37.147 -15.625 1.00 72.34 C ATOM 1287 CE2 PHE A 83 -5.321 34.913 -14.793 1.00 13.23 C ATOM 1288 CZ PHE A 83 -5.899 36.136 -15.071 1.00 12.51 C ATOM 0 H PHE A 83 -1.408 33.657 -17.551 1.00 54.11 H new ATOM 0 HA PHE A 83 -2.146 36.374 -17.837 1.00 15.02 H new ATOM 0 HB2 PHE A 83 -1.500 34.449 -15.673 1.00 25.43 H new ATOM 0 HB3 PHE A 83 -1.154 36.120 -15.277 1.00 25.43 H new ATOM 0 HD1 PHE A 83 -3.209 37.725 -16.331 1.00 54.34 H new ATOM 0 HD2 PHE A 83 -3.536 33.746 -14.845 1.00 70.24 H new ATOM 0 HE1 PHE A 83 -5.587 38.104 -15.844 1.00 72.34 H new ATOM 0 HE2 PHE A 83 -5.914 34.120 -14.362 1.00 13.23 H new ATOM 0 HZ PHE A 83 -6.944 36.302 -14.856 1.00 12.51 H new ATOM 1298 N SER A 84 1.042 35.747 -17.268 1.00 44.41 N ATOM 1299 CA SER A 84 2.377 36.333 -17.304 1.00 25.33 C ATOM 1300 C SER A 84 2.705 36.854 -18.700 1.00 11.45 C ATOM 1301 O SER A 84 3.158 37.988 -18.860 1.00 24.14 O ATOM 1302 CB SER A 84 3.422 35.300 -16.875 1.00 14.11 C ATOM 1303 OG SER A 84 2.904 33.984 -16.965 1.00 22.11 O ATOM 0 H SER A 84 1.027 34.742 -17.096 1.00 44.41 H new ATOM 0 HA SER A 84 2.397 37.172 -16.608 1.00 25.33 H new ATOM 0 HB2 SER A 84 4.307 35.390 -17.505 1.00 14.11 H new ATOM 0 HB3 SER A 84 3.738 35.501 -15.851 1.00 14.11 H new ATOM 0 HG SER A 84 2.668 33.788 -17.896 1.00 22.11 H new ATOM 1309 N ILE A 85 2.472 36.019 -19.706 1.00 53.01 N ATOM 1310 CA ILE A 85 2.740 36.395 -21.088 1.00 44.44 C ATOM 1311 C ILE A 85 1.972 37.655 -21.475 1.00 30.34 C ATOM 1312 O ILE A 85 2.498 38.530 -22.162 1.00 5.24 O ATOM 1313 CB ILE A 85 2.369 35.262 -22.063 1.00 21.01 C ATOM 1314 CG1 ILE A 85 3.175 34.001 -21.744 1.00 13.05 C ATOM 1315 CG2 ILE A 85 2.608 35.700 -23.500 1.00 72.22 C ATOM 1316 CD1 ILE A 85 4.584 34.029 -22.292 1.00 40.32 C ATOM 0 H ILE A 85 2.098 35.077 -19.590 1.00 53.01 H new ATOM 0 HA ILE A 85 3.810 36.588 -21.159 1.00 44.44 H new ATOM 0 HB ILE A 85 1.310 35.033 -21.945 1.00 21.01 H new ATOM 0 HG12 ILE A 85 3.217 33.871 -20.663 1.00 13.05 H new ATOM 0 HG13 ILE A 85 2.653 33.134 -22.150 1.00 13.05 H new ATOM 0 HG21 ILE A 85 2.341 34.888 -24.177 1.00 72.22 H new ATOM 0 HG22 ILE A 85 1.994 36.573 -23.721 1.00 72.22 H new ATOM 0 HG23 ILE A 85 3.660 35.952 -23.633 1.00 72.22 H new ATOM 0 HD11 ILE A 85 5.096 33.104 -22.028 1.00 40.32 H new ATOM 0 HD12 ILE A 85 4.551 34.128 -23.377 1.00 40.32 H new ATOM 0 HD13 ILE A 85 5.123 34.876 -21.867 1.00 40.32 H new ATOM 1328 N VAL A 86 0.723 37.740 -21.027 1.00 4.34 N ATOM 1329 CA VAL A 86 -0.118 38.894 -21.322 1.00 64.14 C ATOM 1330 C VAL A 86 0.545 40.189 -20.864 1.00 75.44 C ATOM 1331 O VAL A 86 0.516 41.198 -21.570 1.00 32.33 O ATOM 1332 CB VAL A 86 -1.498 38.770 -20.649 1.00 65.14 C ATOM 1333 CG1 VAL A 86 -2.186 40.125 -20.589 1.00 22.04 C ATOM 1334 CG2 VAL A 86 -2.360 37.757 -21.387 1.00 13.11 C ATOM 0 H VAL A 86 0.272 37.023 -20.459 1.00 4.34 H new ATOM 0 HA VAL A 86 -0.251 38.920 -22.404 1.00 64.14 H new ATOM 0 HB VAL A 86 -1.355 38.417 -19.628 1.00 65.14 H new ATOM 0 HG11 VAL A 86 -3.159 40.018 -20.110 1.00 22.04 H new ATOM 0 HG12 VAL A 86 -1.573 40.819 -20.014 1.00 22.04 H new ATOM 0 HG13 VAL A 86 -2.319 40.511 -21.600 1.00 22.04 H new ATOM 0 HG21 VAL A 86 -3.332 37.681 -20.899 1.00 13.11 H new ATOM 0 HG22 VAL A 86 -2.497 38.079 -22.419 1.00 13.11 H new ATOM 0 HG23 VAL A 86 -1.870 36.783 -21.373 1.00 13.11 H new ATOM 1344 N THR A 87 1.142 40.153 -19.677 1.00 42.53 N ATOM 1345 CA THR A 87 1.812 41.324 -19.124 1.00 34.32 C ATOM 1346 C THR A 87 3.062 41.672 -19.924 1.00 31.45 C ATOM 1347 O THR A 87 3.368 42.845 -20.136 1.00 71.21 O ATOM 1348 CB THR A 87 2.203 41.102 -17.651 1.00 4.44 C ATOM 1349 OG1 THR A 87 1.975 39.738 -17.283 1.00 21.53 O ATOM 1350 CG2 THR A 87 1.407 42.020 -16.735 1.00 72.21 C ATOM 0 H THR A 87 1.175 39.326 -19.080 1.00 42.53 H new ATOM 0 HA THR A 87 1.105 42.151 -19.184 1.00 34.32 H new ATOM 0 HB THR A 87 3.262 41.335 -17.541 1.00 4.44 H new ATOM 0 HG1 THR A 87 2.693 39.177 -17.644 1.00 21.53 H new ATOM 0 HG21 THR A 87 1.701 41.845 -15.700 1.00 72.21 H new ATOM 0 HG22 THR A 87 1.607 43.059 -16.998 1.00 72.21 H new ATOM 0 HG23 THR A 87 0.343 41.815 -16.850 1.00 72.21 H new ATOM 1358 N SER A 88 3.781 40.645 -20.365 1.00 71.34 N ATOM 1359 CA SER A 88 5.000 40.842 -21.140 1.00 5.42 C ATOM 1360 C SER A 88 4.725 41.684 -22.382 1.00 12.51 C ATOM 1361 O SER A 88 5.334 42.736 -22.581 1.00 74.21 O ATOM 1362 CB SER A 88 5.596 39.493 -21.546 1.00 50.15 C ATOM 1363 OG SER A 88 6.940 39.636 -21.973 1.00 53.51 O ATOM 0 H SER A 88 3.540 39.668 -20.199 1.00 71.34 H new ATOM 0 HA SER A 88 5.716 41.374 -20.514 1.00 5.42 H new ATOM 0 HB2 SER A 88 5.551 38.804 -20.703 1.00 50.15 H new ATOM 0 HB3 SER A 88 5.001 39.056 -22.348 1.00 50.15 H new ATOM 0 HG SER A 88 7.298 38.759 -22.225 1.00 53.51 H new ATOM 1369 N VAL A 89 3.802 41.214 -23.215 1.00 40.11 N ATOM 1370 CA VAL A 89 3.443 41.923 -24.438 1.00 24.13 C ATOM 1371 C VAL A 89 2.838 43.286 -24.125 1.00 14.51 C ATOM 1372 O VAL A 89 2.914 44.212 -24.934 1.00 71.54 O ATOM 1373 CB VAL A 89 2.445 41.112 -25.284 1.00 72.35 C ATOM 1374 CG1 VAL A 89 2.065 41.878 -26.542 1.00 53.22 C ATOM 1375 CG2 VAL A 89 3.027 39.751 -25.635 1.00 74.41 C ATOM 0 H VAL A 89 3.289 40.345 -23.065 1.00 40.11 H new ATOM 0 HA VAL A 89 4.363 42.059 -25.007 1.00 24.13 H new ATOM 0 HB VAL A 89 1.541 40.955 -24.696 1.00 72.35 H new ATOM 0 HG11 VAL A 89 1.359 41.289 -27.127 1.00 53.22 H new ATOM 0 HG12 VAL A 89 1.605 42.826 -26.265 1.00 53.22 H new ATOM 0 HG13 VAL A 89 2.959 42.068 -27.136 1.00 53.22 H new ATOM 0 HG21 VAL A 89 2.308 39.191 -26.233 1.00 74.41 H new ATOM 0 HG22 VAL A 89 3.947 39.884 -26.204 1.00 74.41 H new ATOM 0 HG23 VAL A 89 3.244 39.201 -24.719 1.00 74.41 H new ATOM 1385 N CYS A 90 2.237 43.404 -22.946 1.00 54.12 N ATOM 1386 CA CYS A 90 1.617 44.656 -22.526 1.00 35.45 C ATOM 1387 C CYS A 90 2.669 45.737 -22.305 1.00 64.15 C ATOM 1388 O CYS A 90 2.407 46.923 -22.502 1.00 54.41 O ATOM 1389 CB CYS A 90 0.810 44.444 -21.244 1.00 30.44 C ATOM 1390 SG CYS A 90 -0.977 44.621 -21.458 1.00 4.24 S ATOM 0 H CYS A 90 2.166 42.649 -22.264 1.00 54.12 H new ATOM 0 HA CYS A 90 0.946 44.985 -23.320 1.00 35.45 H new ATOM 0 HB2 CYS A 90 1.022 43.448 -20.855 1.00 30.44 H new ATOM 0 HB3 CYS A 90 1.148 45.158 -20.493 1.00 30.44 H new ATOM 0 HG CYS A 90 -1.572 44.421 -20.320 1.00 4.24 H new ATOM 1396 N VAL A 91 3.863 45.319 -21.895 1.00 15.05 N ATOM 1397 CA VAL A 91 4.956 46.252 -21.647 1.00 34.42 C ATOM 1398 C VAL A 91 5.675 46.612 -22.942 1.00 15.11 C ATOM 1399 O VAL A 91 6.171 47.728 -23.099 1.00 40.34 O ATOM 1400 CB VAL A 91 5.976 45.669 -20.651 1.00 70.52 C ATOM 1401 CG1 VAL A 91 7.163 46.607 -20.492 1.00 32.51 C ATOM 1402 CG2 VAL A 91 5.315 45.399 -19.308 1.00 31.01 C ATOM 0 H VAL A 91 4.098 44.341 -21.728 1.00 15.05 H new ATOM 0 HA VAL A 91 4.514 47.151 -21.218 1.00 34.42 H new ATOM 0 HB VAL A 91 6.343 44.722 -21.046 1.00 70.52 H new ATOM 0 HG11 VAL A 91 7.873 46.179 -19.785 1.00 32.51 H new ATOM 0 HG12 VAL A 91 7.650 46.744 -21.457 1.00 32.51 H new ATOM 0 HG13 VAL A 91 6.817 47.571 -20.120 1.00 32.51 H new ATOM 0 HG21 VAL A 91 6.050 44.987 -18.617 1.00 31.01 H new ATOM 0 HG22 VAL A 91 4.919 46.330 -18.904 1.00 31.01 H new ATOM 0 HG23 VAL A 91 4.502 44.685 -19.440 1.00 31.01 H new ATOM 1412 N LEU A 92 5.727 45.661 -23.868 1.00 33.34 N ATOM 1413 CA LEU A 92 6.385 45.878 -25.151 1.00 73.44 C ATOM 1414 C LEU A 92 5.513 46.723 -26.074 1.00 72.03 C ATOM 1415 O LEU A 92 5.893 47.826 -26.465 1.00 33.04 O ATOM 1416 CB LEU A 92 6.702 44.537 -25.817 1.00 51.40 C ATOM 1417 CG LEU A 92 7.959 44.501 -26.687 1.00 73.12 C ATOM 1418 CD1 LEU A 92 9.207 44.621 -25.827 1.00 61.10 C ATOM 1419 CD2 LEU A 92 7.999 43.223 -27.513 1.00 53.41 C ATOM 0 H LEU A 92 5.321 44.732 -23.754 1.00 33.34 H new ATOM 0 HA LEU A 92 7.316 46.415 -24.968 1.00 73.44 H new ATOM 0 HB2 LEU A 92 6.802 43.782 -25.038 1.00 51.40 H new ATOM 0 HB3 LEU A 92 5.850 44.249 -26.433 1.00 51.40 H new ATOM 0 HG LEU A 92 7.930 45.351 -27.369 1.00 73.12 H new ATOM 0 HD11 LEU A 92 10.091 44.593 -26.463 1.00 61.10 H new ATOM 0 HD12 LEU A 92 9.183 45.564 -25.280 1.00 61.10 H new ATOM 0 HD13 LEU A 92 9.243 43.792 -25.120 1.00 61.10 H new ATOM 0 HD21 LEU A 92 8.900 43.214 -28.126 1.00 53.41 H new ATOM 0 HD22 LEU A 92 8.004 42.360 -26.848 1.00 53.41 H new ATOM 0 HD23 LEU A 92 7.121 43.179 -28.158 1.00 53.41 H new ATOM 1632 N GLY A 108 4.088 51.056 -10.878 1.00 20.45 N ATOM 1633 CA GLY A 108 4.549 49.817 -10.278 1.00 0.24 C ATOM 1634 C GLY A 108 3.489 48.734 -10.296 1.00 14.22 C ATOM 1635 O GLY A 108 3.602 47.733 -9.588 1.00 2.34 O ATOM 0 HA2 GLY A 108 5.432 49.465 -10.811 1.00 0.24 H new ATOM 0 HA3 GLY A 108 4.853 50.007 -9.248 1.00 0.24 H new ATOM 1639 N ILE A 109 2.455 48.934 -11.106 1.00 14.42 N ATOM 1640 CA ILE A 109 1.370 47.967 -11.212 1.00 74.12 C ATOM 1641 C ILE A 109 1.908 46.564 -11.473 1.00 54.11 C ATOM 1642 O ILE A 109 1.363 45.577 -10.978 1.00 1.22 O ATOM 1643 CB ILE A 109 0.387 48.345 -12.336 1.00 74.30 C ATOM 1644 CG1 ILE A 109 -0.564 47.181 -12.625 1.00 23.23 C ATOM 1645 CG2 ILE A 109 1.146 48.740 -13.594 1.00 23.25 C ATOM 1646 CD1 ILE A 109 -0.126 46.318 -13.787 1.00 72.43 C ATOM 0 H ILE A 109 2.346 49.757 -11.698 1.00 14.42 H new ATOM 0 HA ILE A 109 0.842 47.980 -10.259 1.00 74.12 H new ATOM 0 HB ILE A 109 -0.204 49.200 -12.008 1.00 74.30 H new ATOM 0 HG12 ILE A 109 -0.647 46.560 -11.733 1.00 23.23 H new ATOM 0 HG13 ILE A 109 -1.558 47.577 -12.832 1.00 23.23 H new ATOM 0 HG21 ILE A 109 0.437 49.004 -14.379 1.00 23.25 H new ATOM 0 HG22 ILE A 109 1.786 49.596 -13.379 1.00 23.25 H new ATOM 0 HG23 ILE A 109 1.760 47.903 -13.926 1.00 23.25 H new ATOM 0 HD11 ILE A 109 -0.846 45.513 -13.934 1.00 72.43 H new ATOM 0 HD12 ILE A 109 -0.070 46.925 -14.690 1.00 72.43 H new ATOM 0 HD13 ILE A 109 0.855 45.892 -13.575 1.00 72.43 H new ATOM 1658 N ASP A 110 2.981 46.484 -12.252 1.00 74.51 N ATOM 1659 CA ASP A 110 3.595 45.201 -12.577 1.00 1.51 C ATOM 1660 C ASP A 110 3.903 44.410 -11.310 1.00 2.04 C ATOM 1661 O ASP A 110 3.647 43.208 -11.239 1.00 14.00 O ATOM 1662 CB ASP A 110 4.877 45.416 -13.383 1.00 71.14 C ATOM 1663 CG ASP A 110 5.060 44.372 -14.468 1.00 12.41 C ATOM 1664 OD1 ASP A 110 5.337 43.204 -14.126 1.00 10.03 O ATOM 1665 OD2 ASP A 110 4.927 44.724 -15.659 1.00 13.41 O ATOM 0 H ASP A 110 3.444 47.291 -12.670 1.00 74.51 H new ATOM 0 HA ASP A 110 2.888 44.629 -13.178 1.00 1.51 H new ATOM 0 HB2 ASP A 110 4.856 46.407 -13.836 1.00 71.14 H new ATOM 0 HB3 ASP A 110 5.734 45.391 -12.710 1.00 71.14 H new ATOM 1670 N ARG A 111 4.456 45.092 -10.312 1.00 14.13 N ATOM 1671 CA ARG A 111 4.801 44.452 -9.048 1.00 50.21 C ATOM 1672 C ARG A 111 3.564 43.852 -8.387 1.00 32.23 C ATOM 1673 O ARG A 111 3.556 42.680 -8.008 1.00 70.44 O ATOM 1674 CB ARG A 111 5.458 45.461 -8.104 1.00 62.21 C ATOM 1675 CG ARG A 111 6.452 44.834 -7.140 1.00 2.41 C ATOM 1676 CD ARG A 111 7.423 45.868 -6.590 1.00 55.33 C ATOM 1677 NE ARG A 111 7.417 45.903 -5.130 1.00 74.22 N ATOM 1678 CZ ARG A 111 6.439 46.444 -4.412 1.00 32.41 C ATOM 1679 NH1 ARG A 111 5.393 46.992 -5.016 1.00 24.14 N ATOM 1680 NH2 ARG A 111 6.505 46.436 -3.087 1.00 4.23 N ATOM 0 H ARG A 111 4.675 46.087 -10.354 1.00 14.13 H new ATOM 0 HA ARG A 111 5.506 43.648 -9.257 1.00 50.21 H new ATOM 0 HB2 ARG A 111 5.968 46.221 -8.696 1.00 62.21 H new ATOM 0 HB3 ARG A 111 4.682 45.970 -7.533 1.00 62.21 H new ATOM 0 HG2 ARG A 111 5.915 44.364 -6.317 1.00 2.41 H new ATOM 0 HG3 ARG A 111 7.007 44.046 -7.649 1.00 2.41 H new ATOM 0 HD2 ARG A 111 8.430 45.644 -6.943 1.00 55.33 H new ATOM 0 HD3 ARG A 111 7.161 46.853 -6.977 1.00 55.33 H new ATOM 0 HE ARG A 111 8.207 45.489 -4.635 1.00 74.22 H new ATOM 0 HH11 ARG A 111 5.338 46.999 -6.034 1.00 24.14 H new ATOM 0 HH12 ARG A 111 4.644 47.407 -4.462 1.00 24.14 H new ATOM 0 HH21 ARG A 111 7.307 46.014 -2.619 1.00 4.23 H new ATOM 0 HH22 ARG A 111 5.754 46.852 -2.536 1.00 4.23 H new ATOM 1694 N LEU A 112 2.520 44.662 -8.250 1.00 43.41 N ATOM 1695 CA LEU A 112 1.277 44.212 -7.634 1.00 61.10 C ATOM 1696 C LEU A 112 0.761 42.947 -8.312 1.00 32.32 C ATOM 1697 O LEU A 112 0.172 42.080 -7.666 1.00 20.35 O ATOM 1698 CB LEU A 112 0.218 45.313 -7.711 1.00 5.54 C ATOM 1699 CG LEU A 112 -0.255 45.884 -6.373 1.00 63.11 C ATOM 1700 CD1 LEU A 112 0.928 46.380 -5.556 1.00 22.41 C ATOM 1701 CD2 LEU A 112 -1.258 47.006 -6.597 1.00 33.41 C ATOM 0 H LEU A 112 2.510 45.634 -8.557 1.00 43.41 H new ATOM 0 HA LEU A 112 1.481 43.985 -6.587 1.00 61.10 H new ATOM 0 HB2 LEU A 112 0.616 46.131 -8.312 1.00 5.54 H new ATOM 0 HB3 LEU A 112 -0.649 44.919 -8.242 1.00 5.54 H new ATOM 0 HG LEU A 112 -0.748 45.088 -5.814 1.00 63.11 H new ATOM 0 HD11 LEU A 112 0.572 46.783 -4.608 1.00 22.41 H new ATOM 0 HD12 LEU A 112 1.611 45.552 -5.365 1.00 22.41 H new ATOM 0 HD13 LEU A 112 1.450 47.161 -6.109 1.00 22.41 H new ATOM 0 HD21 LEU A 112 -1.584 47.400 -5.634 1.00 33.41 H new ATOM 0 HD22 LEU A 112 -0.790 47.802 -7.176 1.00 33.41 H new ATOM 0 HD23 LEU A 112 -2.120 46.620 -7.141 1.00 33.41 H new ATOM 1713 N PHE A 113 0.987 42.847 -9.617 1.00 62.44 N ATOM 1714 CA PHE A 113 0.546 41.687 -10.383 1.00 61.50 C ATOM 1715 C PHE A 113 1.395 40.462 -10.053 1.00 44.44 C ATOM 1716 O PHE A 113 0.922 39.327 -10.122 1.00 10.31 O ATOM 1717 CB PHE A 113 0.617 41.982 -11.883 1.00 21.33 C ATOM 1718 CG PHE A 113 -0.053 40.939 -12.731 1.00 41.02 C ATOM 1719 CD1 PHE A 113 -1.410 41.015 -13.003 1.00 24.13 C ATOM 1720 CD2 PHE A 113 0.674 39.883 -13.258 1.00 12.52 C ATOM 1721 CE1 PHE A 113 -2.029 40.056 -13.782 1.00 44.45 C ATOM 1722 CE2 PHE A 113 0.060 38.922 -14.039 1.00 3.12 C ATOM 1723 CZ PHE A 113 -1.293 39.009 -14.302 1.00 44.42 C ATOM 0 H PHE A 113 1.473 43.555 -10.167 1.00 62.44 H new ATOM 0 HA PHE A 113 -0.488 41.475 -10.110 1.00 61.50 H new ATOM 0 HB2 PHE A 113 0.154 42.949 -12.077 1.00 21.33 H new ATOM 0 HB3 PHE A 113 1.663 42.064 -12.180 1.00 21.33 H new ATOM 0 HD1 PHE A 113 -1.990 41.833 -12.602 1.00 24.13 H new ATOM 0 HD2 PHE A 113 1.732 39.810 -13.056 1.00 12.52 H new ATOM 0 HE1 PHE A 113 -3.088 40.125 -13.984 1.00 44.45 H new ATOM 0 HE2 PHE A 113 0.638 38.104 -14.443 1.00 3.12 H new ATOM 0 HZ PHE A 113 -1.775 38.260 -14.913 1.00 44.42 H new ATOM 1733 N LEU A 114 2.652 40.701 -9.696 1.00 64.12 N ATOM 1734 CA LEU A 114 3.570 39.619 -9.356 1.00 74.30 C ATOM 1735 C LEU A 114 3.209 39.002 -8.008 1.00 54.33 C ATOM 1736 O LEU A 114 3.150 37.781 -7.869 1.00 70.54 O ATOM 1737 CB LEU A 114 5.009 40.135 -9.324 1.00 63.24 C ATOM 1738 CG LEU A 114 5.927 39.632 -10.439 1.00 41.44 C ATOM 1739 CD1 LEU A 114 5.961 40.625 -11.591 1.00 54.11 C ATOM 1740 CD2 LEU A 114 7.330 39.386 -9.905 1.00 22.34 C ATOM 0 H LEU A 114 3.059 41.634 -9.634 1.00 64.12 H new ATOM 0 HA LEU A 114 3.484 38.849 -10.122 1.00 74.30 H new ATOM 0 HB2 LEU A 114 4.984 41.224 -9.364 1.00 63.24 H new ATOM 0 HB3 LEU A 114 5.451 39.862 -8.366 1.00 63.24 H new ATOM 0 HG LEU A 114 5.530 38.687 -10.811 1.00 41.44 H new ATOM 0 HD11 LEU A 114 6.619 40.250 -12.375 1.00 54.11 H new ATOM 0 HD12 LEU A 114 4.955 40.752 -11.992 1.00 54.11 H new ATOM 0 HD13 LEU A 114 6.333 41.585 -11.233 1.00 54.11 H new ATOM 0 HD21 LEU A 114 7.969 39.029 -10.712 1.00 22.34 H new ATOM 0 HD22 LEU A 114 7.736 40.316 -9.506 1.00 22.34 H new ATOM 0 HD23 LEU A 114 7.292 38.637 -9.114 1.00 22.34 H new ATOM 1752 N TRP A 115 2.966 39.855 -7.020 1.00 13.21 N ATOM 1753 CA TRP A 115 2.608 39.394 -5.683 1.00 52.03 C ATOM 1754 C TRP A 115 1.426 38.432 -5.738 1.00 11.44 C ATOM 1755 O TRP A 115 1.510 37.304 -5.252 1.00 73.21 O ATOM 1756 CB TRP A 115 2.272 40.584 -4.784 1.00 14.53 C ATOM 1757 CG TRP A 115 2.304 40.253 -3.322 1.00 73.44 C ATOM 1758 CD1 TRP A 115 1.720 39.179 -2.713 1.00 13.12 C ATOM 1759 CD2 TRP A 115 2.952 41.000 -2.288 1.00 1.31 C ATOM 1760 NE1 TRP A 115 1.966 39.215 -1.361 1.00 70.54 N ATOM 1761 CE2 TRP A 115 2.721 40.321 -1.076 1.00 14.44 C ATOM 1762 CE3 TRP A 115 3.707 42.176 -2.268 1.00 23.13 C ATOM 1763 CZ2 TRP A 115 3.217 40.781 0.141 1.00 14.43 C ATOM 1764 CZ3 TRP A 115 4.199 42.631 -1.059 1.00 54.31 C ATOM 1765 CH2 TRP A 115 3.953 41.935 0.132 1.00 74.03 C ATOM 0 H TRP A 115 3.010 40.869 -7.119 1.00 13.21 H new ATOM 0 HA TRP A 115 3.465 38.864 -5.266 1.00 52.03 H new ATOM 0 HB2 TRP A 115 2.978 41.390 -4.982 1.00 14.53 H new ATOM 0 HB3 TRP A 115 1.281 40.957 -5.043 1.00 14.53 H new ATOM 0 HD1 TRP A 115 1.149 38.414 -3.219 1.00 13.12 H new ATOM 0 HE1 TRP A 115 1.639 38.529 -0.681 1.00 70.54 H new ATOM 0 HE3 TRP A 115 3.902 42.719 -3.181 1.00 23.13 H new ATOM 0 HZ2 TRP A 115 3.028 40.246 1.060 1.00 14.43 H new ATOM 0 HZ3 TRP A 115 4.783 43.539 -1.032 1.00 54.31 H new ATOM 0 HH2 TRP A 115 4.352 42.316 1.060 1.00 74.03 H new ATOM 1776 N ILE A 116 0.327 38.886 -6.331 1.00 34.43 N ATOM 1777 CA ILE A 116 -0.871 38.064 -6.449 1.00 33.42 C ATOM 1778 C ILE A 116 -0.593 36.799 -7.254 1.00 21.33 C ATOM 1779 O ILE A 116 -1.217 35.760 -7.034 1.00 51.44 O ATOM 1780 CB ILE A 116 -2.023 38.839 -7.115 1.00 0.41 C ATOM 1781 CG1 ILE A 116 -1.675 39.162 -8.570 1.00 13.04 C ATOM 1782 CG2 ILE A 116 -2.320 40.115 -6.340 1.00 72.33 C ATOM 1783 CD1 ILE A 116 -2.750 39.948 -9.287 1.00 43.45 C ATOM 0 H ILE A 116 0.241 39.818 -6.737 1.00 34.43 H new ATOM 0 HA ILE A 116 -1.166 37.790 -5.436 1.00 33.42 H new ATOM 0 HB ILE A 116 -2.916 38.214 -7.105 1.00 0.41 H new ATOM 0 HG12 ILE A 116 -0.744 39.728 -8.596 1.00 13.04 H new ATOM 0 HG13 ILE A 116 -1.497 38.231 -9.108 1.00 13.04 H new ATOM 0 HG21 ILE A 116 -3.136 40.652 -6.823 1.00 72.33 H new ATOM 0 HG22 ILE A 116 -2.605 39.862 -5.319 1.00 72.33 H new ATOM 0 HG23 ILE A 116 -1.431 40.745 -6.323 1.00 72.33 H new ATOM 0 HD11 ILE A 116 -2.436 40.141 -10.313 1.00 43.45 H new ATOM 0 HD12 ILE A 116 -3.677 39.375 -9.293 1.00 43.45 H new ATOM 0 HD13 ILE A 116 -2.912 40.895 -8.773 1.00 43.45 H new ATOM 1795 N PHE A 117 0.350 36.893 -8.186 1.00 33.43 N ATOM 1796 CA PHE A 117 0.712 35.755 -9.024 1.00 3.54 C ATOM 1797 C PHE A 117 1.561 34.755 -8.245 1.00 23.10 C ATOM 1798 O PHE A 117 1.571 33.562 -8.549 1.00 52.13 O ATOM 1799 CB PHE A 117 1.472 36.230 -10.264 1.00 5.54 C ATOM 1800 CG PHE A 117 2.382 35.187 -10.845 1.00 65.42 C ATOM 1801 CD1 PHE A 117 1.864 34.030 -11.405 1.00 54.31 C ATOM 1802 CD2 PHE A 117 3.757 35.362 -10.832 1.00 31.54 C ATOM 1803 CE1 PHE A 117 2.698 33.068 -11.941 1.00 62.15 C ATOM 1804 CE2 PHE A 117 4.596 34.403 -11.367 1.00 24.12 C ATOM 1805 CZ PHE A 117 4.067 33.254 -11.921 1.00 55.23 C ATOM 0 H PHE A 117 0.877 37.745 -8.380 1.00 33.43 H new ATOM 0 HA PHE A 117 -0.206 35.259 -9.337 1.00 3.54 H new ATOM 0 HB2 PHE A 117 0.754 36.539 -11.024 1.00 5.54 H new ATOM 0 HB3 PHE A 117 2.060 37.110 -10.005 1.00 5.54 H new ATOM 0 HD1 PHE A 117 0.795 33.879 -11.423 1.00 54.31 H new ATOM 0 HD2 PHE A 117 4.177 36.258 -10.399 1.00 31.54 H new ATOM 0 HE1 PHE A 117 2.280 32.172 -12.375 1.00 62.15 H new ATOM 0 HE2 PHE A 117 5.666 34.552 -11.352 1.00 24.12 H new ATOM 0 HZ PHE A 117 4.722 32.503 -12.338 1.00 55.23 H new ATOM 1815 N VAL A 118 2.274 35.250 -7.238 1.00 63.02 N ATOM 1816 CA VAL A 118 3.127 34.401 -6.415 1.00 33.32 C ATOM 1817 C VAL A 118 2.313 33.674 -5.350 1.00 25.24 C ATOM 1818 O VAL A 118 2.578 32.513 -5.036 1.00 74.13 O ATOM 1819 CB VAL A 118 4.238 35.218 -5.728 1.00 75.44 C ATOM 1820 CG1 VAL A 118 5.088 34.322 -4.840 1.00 52.12 C ATOM 1821 CG2 VAL A 118 5.097 35.924 -6.766 1.00 10.33 C ATOM 0 H VAL A 118 2.278 36.235 -6.973 1.00 63.02 H new ATOM 0 HA VAL A 118 3.584 33.670 -7.082 1.00 33.32 H new ATOM 0 HB VAL A 118 3.772 35.976 -5.098 1.00 75.44 H new ATOM 0 HG11 VAL A 118 5.867 34.916 -4.363 1.00 52.12 H new ATOM 0 HG12 VAL A 118 4.460 33.867 -4.075 1.00 52.12 H new ATOM 0 HG13 VAL A 118 5.547 33.540 -5.445 1.00 52.12 H new ATOM 0 HG21 VAL A 118 5.877 36.497 -6.264 1.00 10.33 H new ATOM 0 HG22 VAL A 118 5.555 35.185 -7.423 1.00 10.33 H new ATOM 0 HG23 VAL A 118 4.475 36.597 -7.356 1.00 10.33 H new ATOM 1831 N PHE A 119 1.322 34.365 -4.796 1.00 62.51 N ATOM 1832 CA PHE A 119 0.469 33.785 -3.765 1.00 5.02 C ATOM 1833 C PHE A 119 -0.390 32.662 -4.338 1.00 31.13 C ATOM 1834 O PHE A 119 -0.720 31.701 -3.642 1.00 51.04 O ATOM 1835 CB PHE A 119 -0.425 34.863 -3.148 1.00 25.54 C ATOM 1836 CG PHE A 119 -1.172 34.397 -1.931 1.00 24.24 C ATOM 1837 CD1 PHE A 119 -0.493 33.860 -0.848 1.00 72.04 C ATOM 1838 CD2 PHE A 119 -2.552 34.495 -1.869 1.00 53.52 C ATOM 1839 CE1 PHE A 119 -1.178 33.431 0.273 1.00 24.23 C ATOM 1840 CE2 PHE A 119 -3.242 34.068 -0.750 1.00 41.42 C ATOM 1841 CZ PHE A 119 -2.554 33.534 0.322 1.00 41.32 C ATOM 0 H PHE A 119 1.090 35.327 -5.044 1.00 62.51 H new ATOM 0 HA PHE A 119 1.111 33.367 -2.989 1.00 5.02 H new ATOM 0 HB2 PHE A 119 0.188 35.723 -2.881 1.00 25.54 H new ATOM 0 HB3 PHE A 119 -1.141 35.202 -3.896 1.00 25.54 H new ATOM 0 HD1 PHE A 119 0.583 33.776 -0.881 1.00 72.04 H new ATOM 0 HD2 PHE A 119 -3.096 34.910 -2.705 1.00 53.52 H new ATOM 0 HE1 PHE A 119 -0.637 33.015 1.110 1.00 24.23 H new ATOM 0 HE2 PHE A 119 -4.318 34.152 -0.714 1.00 41.42 H new ATOM 0 HZ PHE A 119 -3.091 33.198 1.197 1.00 41.32 H new ATOM 1851 N VAL A 120 -0.750 32.791 -5.611 1.00 30.22 N ATOM 1852 CA VAL A 120 -1.571 31.788 -6.279 1.00 24.54 C ATOM 1853 C VAL A 120 -0.724 30.613 -6.754 1.00 64.50 C ATOM 1854 O VAL A 120 -1.178 29.468 -6.757 1.00 23.45 O ATOM 1855 CB VAL A 120 -2.320 32.387 -7.483 1.00 60.24 C ATOM 1856 CG1 VAL A 120 -1.336 32.918 -8.514 1.00 64.55 C ATOM 1857 CG2 VAL A 120 -3.247 31.351 -8.103 1.00 2.45 C ATOM 0 H VAL A 120 -0.486 33.580 -6.201 1.00 30.22 H new ATOM 0 HA VAL A 120 -2.298 31.436 -5.548 1.00 24.54 H new ATOM 0 HB VAL A 120 -2.927 33.221 -7.132 1.00 60.24 H new ATOM 0 HG11 VAL A 120 -1.884 33.337 -9.358 1.00 64.55 H new ATOM 0 HG12 VAL A 120 -0.718 33.693 -8.061 1.00 64.55 H new ATOM 0 HG13 VAL A 120 -0.700 32.104 -8.863 1.00 64.55 H new ATOM 0 HG21 VAL A 120 -3.768 31.792 -8.953 1.00 2.45 H new ATOM 0 HG22 VAL A 120 -2.662 30.495 -8.440 1.00 2.45 H new ATOM 0 HG23 VAL A 120 -3.975 31.024 -7.361 1.00 2.45 H new ATOM 1867 N CYS A 121 0.509 30.903 -7.155 1.00 51.12 N ATOM 1868 CA CYS A 121 1.421 29.870 -7.634 1.00 13.02 C ATOM 1869 C CYS A 121 2.081 29.144 -6.466 1.00 73.12 C ATOM 1870 O CYS A 121 2.575 28.026 -6.616 1.00 12.33 O ATOM 1871 CB CYS A 121 2.490 30.484 -8.539 1.00 21.24 C ATOM 1872 SG CYS A 121 4.002 30.966 -7.672 1.00 61.22 S ATOM 0 H CYS A 121 0.900 31.845 -7.158 1.00 51.12 H new ATOM 0 HA CYS A 121 0.842 29.146 -8.208 1.00 13.02 H new ATOM 0 HB2 CYS A 121 2.744 29.768 -9.320 1.00 21.24 H new ATOM 0 HB3 CYS A 121 2.072 31.361 -9.034 1.00 21.24 H new ATOM 0 HG CYS A 121 3.693 31.567 -6.561 1.00 61.22 H new ATOM 1878 N VAL A 122 2.087 29.788 -5.303 1.00 73.51 N ATOM 1879 CA VAL A 122 2.687 29.204 -4.109 1.00 73.34 C ATOM 1880 C VAL A 122 1.710 28.270 -3.404 1.00 31.40 C ATOM 1881 O VAL A 122 2.011 27.099 -3.173 1.00 22.55 O ATOM 1882 CB VAL A 122 3.143 30.293 -3.121 1.00 23.13 C ATOM 1883 CG1 VAL A 122 3.234 29.730 -1.710 1.00 40.15 C ATOM 1884 CG2 VAL A 122 4.477 30.881 -3.556 1.00 0.35 C ATOM 0 H VAL A 122 1.683 30.714 -5.162 1.00 73.51 H new ATOM 0 HA VAL A 122 3.557 28.635 -4.437 1.00 73.34 H new ATOM 0 HB VAL A 122 2.402 31.092 -3.120 1.00 23.13 H new ATOM 0 HG11 VAL A 122 3.558 30.514 -1.026 1.00 40.15 H new ATOM 0 HG12 VAL A 122 2.256 29.361 -1.402 1.00 40.15 H new ATOM 0 HG13 VAL A 122 3.954 28.912 -1.691 1.00 40.15 H new ATOM 0 HG21 VAL A 122 4.785 31.649 -2.847 1.00 0.35 H new ATOM 0 HG22 VAL A 122 5.229 30.093 -3.586 1.00 0.35 H new ATOM 0 HG23 VAL A 122 4.374 31.323 -4.547 1.00 0.35 H new ATOM 1894 N PHE A 123 0.537 28.795 -3.065 1.00 5.24 N ATOM 1895 CA PHE A 123 -0.485 28.009 -2.385 1.00 21.44 C ATOM 1896 C PHE A 123 -0.849 26.770 -3.199 1.00 13.45 C ATOM 1897 O PHE A 123 -1.012 25.680 -2.652 1.00 1.32 O ATOM 1898 CB PHE A 123 -1.734 28.858 -2.141 1.00 1.14 C ATOM 1899 CG PHE A 123 -2.871 28.091 -1.528 1.00 65.32 C ATOM 1900 CD1 PHE A 123 -2.907 27.853 -0.164 1.00 33.53 C ATOM 1901 CD2 PHE A 123 -3.902 27.608 -2.317 1.00 15.13 C ATOM 1902 CE1 PHE A 123 -3.952 27.146 0.402 1.00 3.02 C ATOM 1903 CE2 PHE A 123 -4.950 26.901 -1.756 1.00 42.24 C ATOM 1904 CZ PHE A 123 -4.975 26.671 -0.395 1.00 22.11 C ATOM 0 H PHE A 123 0.271 29.762 -3.250 1.00 5.24 H new ATOM 0 HA PHE A 123 -0.081 27.686 -1.425 1.00 21.44 H new ATOM 0 HB2 PHE A 123 -1.475 29.691 -1.488 1.00 1.14 H new ATOM 0 HB3 PHE A 123 -2.064 29.285 -3.088 1.00 1.14 H new ATOM 0 HD1 PHE A 123 -2.110 28.224 0.464 1.00 33.53 H new ATOM 0 HD2 PHE A 123 -3.887 27.785 -3.382 1.00 15.13 H new ATOM 0 HE1 PHE A 123 -3.968 26.965 1.467 1.00 3.02 H new ATOM 0 HE2 PHE A 123 -5.748 26.529 -2.382 1.00 42.24 H new ATOM 0 HZ PHE A 123 -5.793 26.121 0.046 1.00 22.11 H new ATOM 1914 N GLY A 124 -0.977 26.948 -4.510 1.00 64.22 N ATOM 1915 CA GLY A 124 -1.322 25.838 -5.379 1.00 23.21 C ATOM 1916 C GLY A 124 -0.195 24.832 -5.510 1.00 32.03 C ATOM 1917 O GLY A 124 -0.365 23.653 -5.195 1.00 44.34 O ATOM 0 H GLY A 124 -0.848 27.841 -4.986 1.00 64.22 H new ATOM 0 HA2 GLY A 124 -2.208 25.337 -4.989 1.00 23.21 H new ATOM 0 HA3 GLY A 124 -1.580 26.220 -6.367 1.00 23.21 H new ATOM 1921 N THR A 125 0.960 25.296 -5.977 1.00 13.41 N ATOM 1922 CA THR A 125 2.118 24.429 -6.152 1.00 33.03 C ATOM 1923 C THR A 125 2.499 23.751 -4.841 1.00 62.50 C ATOM 1924 O THR A 125 2.496 22.523 -4.743 1.00 4.10 O ATOM 1925 CB THR A 125 3.332 25.213 -6.683 1.00 41.51 C ATOM 1926 OG1 THR A 125 3.030 25.775 -7.965 1.00 71.33 O ATOM 1927 CG2 THR A 125 4.553 24.312 -6.793 1.00 55.03 C ATOM 0 H THR A 125 1.118 26.268 -6.241 1.00 13.41 H new ATOM 0 HA THR A 125 1.838 23.670 -6.883 1.00 33.03 H new ATOM 0 HB THR A 125 3.555 26.015 -5.979 1.00 41.51 H new ATOM 0 HG1 THR A 125 2.784 26.718 -7.859 1.00 71.33 H new ATOM 0 HG21 THR A 125 5.398 24.888 -7.170 1.00 55.03 H new ATOM 0 HG22 THR A 125 4.798 23.910 -5.810 1.00 55.03 H new ATOM 0 HG23 THR A 125 4.339 23.491 -7.478 1.00 55.03 H new ATOM 1935 N ILE A 126 2.826 24.556 -3.836 1.00 43.34 N ATOM 1936 CA ILE A 126 3.208 24.033 -2.531 1.00 23.41 C ATOM 1937 C ILE A 126 2.139 23.096 -1.980 1.00 35.01 C ATOM 1938 O ILE A 126 2.431 22.199 -1.190 1.00 73.14 O ATOM 1939 CB ILE A 126 3.452 25.167 -1.519 1.00 2.25 C ATOM 1940 CG1 ILE A 126 4.546 26.108 -2.028 1.00 11.32 C ATOM 1941 CG2 ILE A 126 3.829 24.594 -0.161 1.00 25.41 C ATOM 1942 CD1 ILE A 126 5.906 25.454 -2.131 1.00 10.41 C ATOM 0 H ILE A 126 2.834 25.574 -3.901 1.00 43.34 H new ATOM 0 HA ILE A 126 4.136 23.479 -2.673 1.00 23.41 H new ATOM 0 HB ILE A 126 2.530 25.738 -1.407 1.00 2.25 H new ATOM 0 HG12 ILE A 126 4.260 26.488 -3.009 1.00 11.32 H new ATOM 0 HG13 ILE A 126 4.615 26.967 -1.361 1.00 11.32 H new ATOM 0 HG21 ILE A 126 3.998 25.408 0.543 1.00 25.41 H new ATOM 0 HG22 ILE A 126 3.020 23.961 0.204 1.00 25.41 H new ATOM 0 HG23 ILE A 126 4.739 24.002 -0.256 1.00 25.41 H new ATOM 0 HD11 ILE A 126 6.632 26.180 -2.498 1.00 10.41 H new ATOM 0 HD12 ILE A 126 6.214 25.098 -1.148 1.00 10.41 H new ATOM 0 HD13 ILE A 126 5.854 24.612 -2.821 1.00 10.41 H new ATOM 1954 N GLY A 127 0.897 23.310 -2.404 1.00 15.32 N ATOM 1955 CA GLY A 127 -0.198 22.476 -1.944 1.00 15.31 C ATOM 1956 C GLY A 127 0.019 21.009 -2.257 1.00 52.34 C ATOM 1957 O GLY A 127 0.068 20.175 -1.354 1.00 2.53 O ATOM 0 H GLY A 127 0.630 24.046 -3.058 1.00 15.32 H new ATOM 0 HA2 GLY A 127 -0.318 22.601 -0.868 1.00 15.31 H new ATOM 0 HA3 GLY A 127 -1.125 22.810 -2.409 1.00 15.31 H new ATOM 1961 N MET A 128 0.147 20.693 -3.542 1.00 22.02 N ATOM 1962 CA MET A 128 0.360 19.316 -3.972 1.00 33.22 C ATOM 1963 C MET A 128 1.829 18.927 -3.843 1.00 31.52 C ATOM 1964 O MET A 128 2.161 17.746 -3.734 1.00 4.12 O ATOM 1965 CB MET A 128 -0.103 19.133 -5.418 1.00 52.45 C ATOM 1966 CG MET A 128 0.699 19.948 -6.420 1.00 71.25 C ATOM 1967 SD MET A 128 -0.227 20.304 -7.926 1.00 12.21 S ATOM 1968 CE MET A 128 0.863 21.480 -8.724 1.00 64.41 C ATOM 0 H MET A 128 0.107 21.371 -4.303 1.00 22.02 H new ATOM 0 HA MET A 128 -0.228 18.665 -3.325 1.00 33.22 H new ATOM 0 HB2 MET A 128 -0.034 18.078 -5.682 1.00 52.45 H new ATOM 0 HB3 MET A 128 -1.154 19.413 -5.493 1.00 52.45 H new ATOM 0 HG2 MET A 128 1.006 20.886 -5.957 1.00 71.25 H new ATOM 0 HG3 MET A 128 1.609 19.406 -6.677 1.00 71.25 H new ATOM 0 HE1 MET A 128 0.918 21.260 -9.790 1.00 64.41 H new ATOM 0 HE2 MET A 128 0.477 22.489 -8.581 1.00 64.41 H new ATOM 0 HE3 MET A 128 1.859 21.408 -8.287 1.00 64.41 H new ATOM 1978 N PHE A 129 2.705 19.926 -3.856 1.00 54.03 N ATOM 1979 CA PHE A 129 4.139 19.688 -3.742 1.00 73.43 C ATOM 1980 C PHE A 129 4.509 19.266 -2.323 1.00 72.13 C ATOM 1981 O PHE A 129 5.611 18.775 -2.077 1.00 23.03 O ATOM 1982 CB PHE A 129 4.919 20.945 -4.133 1.00 32.43 C ATOM 1983 CG PHE A 129 6.401 20.723 -4.233 1.00 40.22 C ATOM 1984 CD1 PHE A 129 6.945 20.075 -5.330 1.00 61.13 C ATOM 1985 CD2 PHE A 129 7.250 21.164 -3.231 1.00 62.20 C ATOM 1986 CE1 PHE A 129 8.309 19.869 -5.425 1.00 15.23 C ATOM 1987 CE2 PHE A 129 8.615 20.961 -3.320 1.00 54.42 C ATOM 1988 CZ PHE A 129 9.144 20.314 -4.419 1.00 44.11 C ATOM 0 H PHE A 129 2.447 20.909 -3.944 1.00 54.03 H new ATOM 0 HA PHE A 129 4.403 18.879 -4.423 1.00 73.43 H new ATOM 0 HB2 PHE A 129 4.549 21.309 -5.091 1.00 32.43 H new ATOM 0 HB3 PHE A 129 4.725 21.726 -3.398 1.00 32.43 H new ATOM 0 HD1 PHE A 129 6.296 19.727 -6.120 1.00 61.13 H new ATOM 0 HD2 PHE A 129 6.841 21.672 -2.370 1.00 62.20 H new ATOM 0 HE1 PHE A 129 8.721 19.361 -6.285 1.00 15.23 H new ATOM 0 HE2 PHE A 129 9.266 21.308 -2.531 1.00 54.42 H new ATOM 0 HZ PHE A 129 10.210 20.156 -4.492 1.00 44.11 H new ATOM 1998 N LEU A 130 3.580 19.461 -1.394 1.00 4.55 N ATOM 1999 CA LEU A 130 3.808 19.102 0.002 1.00 14.41 C ATOM 2000 C LEU A 130 3.624 17.603 0.215 1.00 3.24 C ATOM 2001 O LEU A 130 4.101 17.045 1.203 1.00 13.03 O ATOM 2002 CB LEU A 130 2.853 19.879 0.911 1.00 61.11 C ATOM 2003 CG LEU A 130 3.505 20.847 1.898 1.00 4.23 C ATOM 2004 CD1 LEU A 130 2.456 21.473 2.805 1.00 64.54 C ATOM 2005 CD2 LEU A 130 4.568 20.134 2.722 1.00 33.10 C ATOM 0 H LEU A 130 2.662 19.865 -1.581 1.00 4.55 H new ATOM 0 HA LEU A 130 4.835 19.363 0.256 1.00 14.41 H new ATOM 0 HB2 LEU A 130 2.163 20.442 0.283 1.00 61.11 H new ATOM 0 HB3 LEU A 130 2.257 19.162 1.476 1.00 61.11 H new ATOM 0 HG LEU A 130 3.987 21.643 1.331 1.00 4.23 H new ATOM 0 HD11 LEU A 130 2.939 22.159 3.501 1.00 64.54 H new ATOM 0 HD12 LEU A 130 1.732 22.019 2.201 1.00 64.54 H new ATOM 0 HD13 LEU A 130 1.944 20.690 3.364 1.00 64.54 H new ATOM 0 HD21 LEU A 130 5.021 20.839 3.419 1.00 33.10 H new ATOM 0 HD22 LEU A 130 4.109 19.317 3.279 1.00 33.10 H new ATOM 0 HD23 LEU A 130 5.336 19.735 2.059 1.00 33.10 H new