USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 702 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 ASN : amide:sc= -0.0203 X(o=-0.02,f=0) USER MOD Single : A 9 THR OG1 : rot 74:sc= 1.18 USER MOD Single : A 10 SER OG : rot 64:sc= 1.12 USER MOD Single : A 19 TYR OH : rot -109:sc= 1.99 USER MOD Single : A 26 THR OG1 : rot 85:sc= 1.18 USER MOD Single : A 28 SER OG : rot 100:sc= -0.97 USER MOD Single : A 36 CYS SG : rot -28:sc= 0.243 USER MOD Single : A 40 SER OG : rot -101:sc= 1.36 USER MOD Single : A 41 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-0.23) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 52 MET CE :methyl 142:sc= -0.318 (180deg=-2.09!) USER MOD Single : A 59 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.74) USER MOD Single : A 67 THR OG1 : rot -76:sc= 1.21 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 70 THR OG1 : rot 40:sc= 0.419 USER MOD Single : A 75 SER OG : rot 143:sc= 1.33 USER MOD Single : A 89 GLN : amide:sc= -2.2 X(o=-2.2,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 5 11.345 7.418 -5.655 1.00 22.52 N ATOM 57 CA ASN A 5 11.751 8.709 -6.194 1.00 73.11 C ATOM 58 C ASN A 5 10.685 9.765 -5.912 1.00 10.31 C ATOM 59 O ASN A 5 10.990 10.949 -5.762 1.00 10.11 O ATOM 60 CB ASN A 5 12.005 8.589 -7.699 1.00 53.32 C ATOM 61 CG ASN A 5 12.468 9.888 -8.334 1.00 53.24 C ATOM 62 OD1 ASN A 5 13.660 10.187 -8.364 1.00 40.34 O ATOM 63 ND2 ASN A 5 11.531 10.656 -8.867 1.00 4.12 N ATOM 0 HA ASN A 5 12.675 9.020 -5.706 1.00 73.11 H new ATOM 0 HB2 ASN A 5 12.756 7.819 -7.874 1.00 53.32 H new ATOM 0 HB3 ASN A 5 11.090 8.258 -8.190 1.00 53.32 H new ATOM 0 HD21 ASN A 5 11.788 11.531 -9.323 1.00 4.12 H new ATOM 0 HD22 ASN A 5 10.552 10.373 -8.821 1.00 4.12 H new ATOM 70 N ARG A 6 9.433 9.321 -5.830 1.00 70.34 N ATOM 71 CA ARG A 6 8.311 10.208 -5.551 1.00 45.50 C ATOM 72 C ARG A 6 8.520 10.902 -4.207 1.00 22.34 C ATOM 73 O ARG A 6 8.329 12.112 -4.087 1.00 1.32 O ATOM 74 CB ARG A 6 7.001 9.401 -5.566 1.00 34.52 C ATOM 75 CG ARG A 6 5.721 10.235 -5.495 1.00 35.22 C ATOM 76 CD ARG A 6 5.403 10.696 -4.079 1.00 55.24 C ATOM 77 NE ARG A 6 5.303 9.576 -3.141 1.00 65.22 N ATOM 78 CZ ARG A 6 4.433 9.523 -2.134 1.00 12.53 C ATOM 79 NH1 ARG A 6 3.568 10.512 -1.941 1.00 43.31 N ATOM 80 NH2 ARG A 6 4.413 8.472 -1.324 1.00 11.12 N ATOM 0 H ARG A 6 9.171 8.343 -5.954 1.00 70.34 H new ATOM 0 HA ARG A 6 8.248 10.977 -6.321 1.00 45.50 H new ATOM 0 HB2 ARG A 6 6.974 8.800 -6.475 1.00 34.52 H new ATOM 0 HB3 ARG A 6 7.011 8.707 -4.725 1.00 34.52 H new ATOM 0 HG2 ARG A 6 5.822 11.106 -6.143 1.00 35.22 H new ATOM 0 HG3 ARG A 6 4.887 9.648 -5.878 1.00 35.22 H new ATOM 0 HD2 ARG A 6 6.178 11.383 -3.740 1.00 55.24 H new ATOM 0 HD3 ARG A 6 4.464 11.250 -4.082 1.00 55.24 H new ATOM 0 HE ARG A 6 5.939 8.788 -3.267 1.00 65.22 H new ATOM 0 HH11 ARG A 6 3.567 11.318 -2.566 1.00 43.31 H new ATOM 0 HH12 ARG A 6 2.904 10.465 -1.168 1.00 43.31 H new ATOM 0 HH21 ARG A 6 5.065 7.702 -1.472 1.00 11.12 H new ATOM 0 HH22 ARG A 6 3.745 8.434 -0.554 1.00 11.12 H new ATOM 94 N PHE A 7 8.923 10.126 -3.208 1.00 61.03 N ATOM 95 CA PHE A 7 9.206 10.657 -1.880 1.00 54.10 C ATOM 96 C PHE A 7 10.312 11.703 -1.948 1.00 14.21 C ATOM 97 O PHE A 7 10.180 12.791 -1.393 1.00 1.24 O ATOM 98 CB PHE A 7 9.606 9.521 -0.932 1.00 72.25 C ATOM 99 CG PHE A 7 9.884 9.969 0.477 1.00 31.43 C ATOM 100 CD1 PHE A 7 8.844 10.325 1.320 1.00 52.24 C ATOM 101 CD2 PHE A 7 11.184 10.039 0.955 1.00 4.00 C ATOM 102 CE1 PHE A 7 9.095 10.738 2.614 1.00 13.43 C ATOM 103 CE2 PHE A 7 11.440 10.451 2.248 1.00 61.21 C ATOM 104 CZ PHE A 7 10.395 10.802 3.079 1.00 73.30 C ATOM 0 H PHE A 7 9.062 9.119 -3.294 1.00 61.03 H new ATOM 0 HA PHE A 7 8.304 11.134 -1.497 1.00 54.10 H new ATOM 0 HB2 PHE A 7 8.809 8.778 -0.915 1.00 72.25 H new ATOM 0 HB3 PHE A 7 10.494 9.027 -1.327 1.00 72.25 H new ATOM 0 HD1 PHE A 7 7.826 10.279 0.962 1.00 52.24 H new ATOM 0 HD2 PHE A 7 12.006 9.768 0.309 1.00 4.00 H new ATOM 0 HE1 PHE A 7 8.275 11.011 3.262 1.00 13.43 H new ATOM 0 HE2 PHE A 7 12.457 10.499 2.609 1.00 61.21 H new ATOM 0 HZ PHE A 7 10.593 11.126 4.090 1.00 73.30 H new ATOM 114 N LEU A 8 11.391 11.371 -2.649 1.00 52.30 N ATOM 115 CA LEU A 8 12.520 12.287 -2.806 1.00 12.42 C ATOM 116 C LEU A 8 12.078 13.579 -3.488 1.00 4.34 C ATOM 117 O LEU A 8 12.450 14.675 -3.070 1.00 54.30 O ATOM 118 CB LEU A 8 13.632 11.620 -3.617 1.00 73.45 C ATOM 119 CG LEU A 8 14.191 10.328 -3.015 1.00 4.01 C ATOM 120 CD1 LEU A 8 15.241 9.722 -3.930 1.00 63.33 C ATOM 121 CD2 LEU A 8 14.777 10.588 -1.634 1.00 0.01 C ATOM 0 H LEU A 8 11.510 10.473 -3.119 1.00 52.30 H new ATOM 0 HA LEU A 8 12.901 12.533 -1.815 1.00 12.42 H new ATOM 0 HB2 LEU A 8 13.252 11.402 -4.615 1.00 73.45 H new ATOM 0 HB3 LEU A 8 14.450 12.331 -3.736 1.00 73.45 H new ATOM 0 HG LEU A 8 13.371 9.618 -2.913 1.00 4.01 H new ATOM 0 HD11 LEU A 8 15.626 8.805 -3.485 1.00 63.33 H new ATOM 0 HD12 LEU A 8 14.793 9.495 -4.898 1.00 63.33 H new ATOM 0 HD13 LEU A 8 16.058 10.430 -4.065 1.00 63.33 H new ATOM 0 HD21 LEU A 8 15.169 9.657 -1.224 1.00 0.01 H new ATOM 0 HD22 LEU A 8 15.583 11.318 -1.712 1.00 0.01 H new ATOM 0 HD23 LEU A 8 13.999 10.976 -0.976 1.00 0.01 H new ATOM 133 N THR A 9 11.270 13.438 -4.531 1.00 50.43 N ATOM 134 CA THR A 9 10.733 14.586 -5.247 1.00 11.00 C ATOM 135 C THR A 9 9.863 15.434 -4.316 1.00 63.12 C ATOM 136 O THR A 9 9.896 16.667 -4.361 1.00 22.31 O ATOM 137 CB THR A 9 9.906 14.133 -6.468 1.00 3.51 C ATOM 138 OG1 THR A 9 10.683 13.234 -7.277 1.00 24.21 O ATOM 139 CG2 THR A 9 9.470 15.326 -7.312 1.00 32.31 C ATOM 0 H THR A 9 10.972 12.535 -4.901 1.00 50.43 H new ATOM 0 HA THR A 9 11.571 15.188 -5.599 1.00 11.00 H new ATOM 0 HB THR A 9 9.014 13.625 -6.102 1.00 3.51 H new ATOM 0 HG1 THR A 9 10.747 12.364 -6.830 1.00 24.21 H new ATOM 0 HG21 THR A 9 8.889 14.975 -8.165 1.00 32.31 H new ATOM 0 HG22 THR A 9 8.858 15.996 -6.707 1.00 32.31 H new ATOM 0 HG23 THR A 9 10.350 15.861 -7.668 1.00 32.31 H new ATOM 147 N SER A 10 9.108 14.758 -3.456 1.00 65.42 N ATOM 148 CA SER A 10 8.269 15.434 -2.479 1.00 14.20 C ATOM 149 C SER A 10 9.133 16.209 -1.489 1.00 60.34 C ATOM 150 O SER A 10 8.772 17.305 -1.070 1.00 33.45 O ATOM 151 CB SER A 10 7.394 14.422 -1.739 1.00 14.00 C ATOM 152 OG SER A 10 6.633 13.646 -2.651 1.00 11.13 O ATOM 0 H SER A 10 9.062 13.740 -3.418 1.00 65.42 H new ATOM 0 HA SER A 10 7.621 16.137 -3.003 1.00 14.20 H new ATOM 0 HB2 SER A 10 8.021 13.767 -1.134 1.00 14.00 H new ATOM 0 HB3 SER A 10 6.726 14.945 -1.055 1.00 14.00 H new ATOM 0 HG SER A 10 7.236 13.107 -3.204 1.00 11.13 H new ATOM 158 N ILE A 11 10.281 15.634 -1.132 1.00 41.21 N ATOM 159 CA ILE A 11 11.239 16.306 -0.263 1.00 43.24 C ATOM 160 C ILE A 11 11.732 17.592 -0.920 1.00 34.21 C ATOM 161 O ILE A 11 11.741 18.646 -0.296 1.00 51.11 O ATOM 162 CB ILE A 11 12.451 15.401 0.067 1.00 63.44 C ATOM 163 CG1 ILE A 11 11.992 14.120 0.773 1.00 0.25 C ATOM 164 CG2 ILE A 11 13.468 16.148 0.921 1.00 53.04 C ATOM 165 CD1 ILE A 11 11.251 14.365 2.072 1.00 53.14 C ATOM 0 H ILE A 11 10.568 14.703 -1.433 1.00 41.21 H new ATOM 0 HA ILE A 11 10.725 16.538 0.670 1.00 43.24 H new ATOM 0 HB ILE A 11 12.932 15.123 -0.871 1.00 63.44 H new ATOM 0 HG12 ILE A 11 11.347 13.557 0.099 1.00 0.25 H new ATOM 0 HG13 ILE A 11 12.863 13.497 0.975 1.00 0.25 H new ATOM 0 HG21 ILE A 11 14.311 15.492 1.140 1.00 53.04 H new ATOM 0 HG22 ILE A 11 13.822 17.026 0.380 1.00 53.04 H new ATOM 0 HG23 ILE A 11 13.000 16.461 1.854 1.00 53.04 H new ATOM 0 HD11 ILE A 11 10.960 13.410 2.510 1.00 53.14 H new ATOM 0 HD12 ILE A 11 11.900 14.900 2.766 1.00 53.14 H new ATOM 0 HD13 ILE A 11 10.360 14.961 1.876 1.00 53.14 H new ATOM 177 N VAL A 12 12.124 17.491 -2.188 1.00 21.55 N ATOM 178 CA VAL A 12 12.548 18.656 -2.965 1.00 14.34 C ATOM 179 C VAL A 12 11.492 19.761 -2.911 1.00 13.44 C ATOM 180 O VAL A 12 11.795 20.913 -2.578 1.00 43.23 O ATOM 181 CB VAL A 12 12.805 18.289 -4.444 1.00 35.21 C ATOM 182 CG1 VAL A 12 13.224 19.515 -5.242 1.00 52.52 C ATOM 183 CG2 VAL A 12 13.859 17.200 -4.558 1.00 24.24 C ATOM 0 H VAL A 12 12.157 16.611 -2.702 1.00 21.55 H new ATOM 0 HA VAL A 12 13.477 19.011 -2.519 1.00 14.34 H new ATOM 0 HB VAL A 12 11.872 17.909 -4.860 1.00 35.21 H new ATOM 0 HG11 VAL A 12 13.399 19.231 -6.280 1.00 52.52 H new ATOM 0 HG12 VAL A 12 12.434 20.265 -5.199 1.00 52.52 H new ATOM 0 HG13 VAL A 12 14.140 19.929 -4.819 1.00 52.52 H new ATOM 0 HG21 VAL A 12 14.022 16.960 -5.609 1.00 24.24 H new ATOM 0 HG22 VAL A 12 14.792 17.550 -4.117 1.00 24.24 H new ATOM 0 HG23 VAL A 12 13.520 16.309 -4.030 1.00 24.24 H new ATOM 193 N ALA A 13 10.253 19.397 -3.229 1.00 44.22 N ATOM 194 CA ALA A 13 9.146 20.344 -3.205 1.00 63.42 C ATOM 195 C ALA A 13 8.951 20.917 -1.805 1.00 5.15 C ATOM 196 O ALA A 13 8.820 22.124 -1.639 1.00 60.31 O ATOM 197 CB ALA A 13 7.868 19.678 -3.692 1.00 50.45 C ATOM 0 H ALA A 13 9.992 18.451 -3.507 1.00 44.22 H new ATOM 0 HA ALA A 13 9.387 21.168 -3.877 1.00 63.42 H new ATOM 0 HB1 ALA A 13 7.050 20.398 -3.668 1.00 50.45 H new ATOM 0 HB2 ALA A 13 8.009 19.323 -4.713 1.00 50.45 H new ATOM 0 HB3 ALA A 13 7.628 18.835 -3.044 1.00 50.45 H new ATOM 203 N TRP A 14 8.958 20.039 -0.814 1.00 34.42 N ATOM 204 CA TRP A 14 8.810 20.423 0.588 1.00 42.25 C ATOM 205 C TRP A 14 9.889 21.426 1.002 1.00 70.10 C ATOM 206 O TRP A 14 9.587 22.478 1.582 1.00 3.04 O ATOM 207 CB TRP A 14 8.870 19.148 1.442 1.00 32.24 C ATOM 208 CG TRP A 14 9.023 19.346 2.919 1.00 61.43 C ATOM 209 CD1 TRP A 14 8.288 20.153 3.740 1.00 2.33 C ATOM 210 CD2 TRP A 14 9.964 18.668 3.756 1.00 1.21 C ATOM 211 NE1 TRP A 14 8.723 20.022 5.040 1.00 52.34 N ATOM 212 CE2 TRP A 14 9.754 19.112 5.074 1.00 5.51 C ATOM 213 CE3 TRP A 14 10.966 17.726 3.511 1.00 11.11 C ATOM 214 CZ2 TRP A 14 10.514 18.640 6.144 1.00 42.32 C ATOM 215 CZ3 TRP A 14 11.714 17.259 4.570 1.00 1.43 C ATOM 216 CH2 TRP A 14 11.489 17.714 5.872 1.00 73.14 C ATOM 0 H TRP A 14 9.067 19.035 -0.956 1.00 34.42 H new ATOM 0 HA TRP A 14 7.851 20.919 0.739 1.00 42.25 H new ATOM 0 HB2 TRP A 14 7.960 18.575 1.266 1.00 32.24 H new ATOM 0 HB3 TRP A 14 9.703 18.539 1.090 1.00 32.24 H new ATOM 0 HD1 TRP A 14 7.484 20.798 3.417 1.00 2.33 H new ATOM 0 HE1 TRP A 14 8.343 20.519 5.846 1.00 52.34 H new ATOM 0 HE3 TRP A 14 11.151 17.370 2.508 1.00 11.11 H new ATOM 0 HZ2 TRP A 14 10.341 18.991 7.151 1.00 42.32 H new ATOM 0 HZ3 TRP A 14 12.488 16.528 4.390 1.00 1.43 H new ATOM 0 HH2 TRP A 14 12.094 17.329 6.680 1.00 73.14 H new ATOM 227 N LEU A 15 11.137 21.111 0.674 1.00 2.10 N ATOM 228 CA LEU A 15 12.262 21.971 1.018 1.00 34.45 C ATOM 229 C LEU A 15 12.112 23.351 0.391 1.00 0.13 C ATOM 230 O LEU A 15 12.204 24.367 1.080 1.00 34.54 O ATOM 231 CB LEU A 15 13.587 21.351 0.571 1.00 11.03 C ATOM 232 CG LEU A 15 13.923 19.994 1.191 1.00 31.04 C ATOM 233 CD1 LEU A 15 15.315 19.554 0.767 1.00 61.44 C ATOM 234 CD2 LEU A 15 13.815 20.054 2.707 1.00 64.45 C ATOM 0 H LEU A 15 11.395 20.263 0.169 1.00 2.10 H new ATOM 0 HA LEU A 15 12.267 22.074 2.103 1.00 34.45 H new ATOM 0 HB2 LEU A 15 13.569 21.241 -0.513 1.00 11.03 H new ATOM 0 HB3 LEU A 15 14.392 22.048 0.807 1.00 11.03 H new ATOM 0 HG LEU A 15 13.203 19.259 0.831 1.00 31.04 H new ATOM 0 HD11 LEU A 15 15.543 18.587 1.215 1.00 61.44 H new ATOM 0 HD12 LEU A 15 15.355 19.470 -0.319 1.00 61.44 H new ATOM 0 HD13 LEU A 15 16.047 20.290 1.101 1.00 61.44 H new ATOM 0 HD21 LEU A 15 14.058 19.078 3.128 1.00 64.45 H new ATOM 0 HD22 LEU A 15 14.511 20.799 3.092 1.00 64.45 H new ATOM 0 HD23 LEU A 15 12.798 20.328 2.989 1.00 64.45 H new ATOM 246 N ARG A 16 11.878 23.393 -0.918 1.00 2.41 N ATOM 247 CA ARG A 16 11.789 24.669 -1.614 1.00 31.15 C ATOM 248 C ARG A 16 10.513 25.425 -1.237 1.00 5.31 C ATOM 249 O ARG A 16 10.514 26.650 -1.157 1.00 11.03 O ATOM 250 CB ARG A 16 11.903 24.495 -3.132 1.00 12.41 C ATOM 251 CG ARG A 16 10.730 23.794 -3.795 1.00 75.42 C ATOM 252 CD ARG A 16 10.919 23.769 -5.302 1.00 13.34 C ATOM 253 NE ARG A 16 9.750 23.267 -6.026 1.00 41.44 N ATOM 254 CZ ARG A 16 8.955 24.040 -6.771 1.00 71.15 C ATOM 255 NH1 ARG A 16 9.066 25.362 -6.716 1.00 44.40 N ATOM 256 NH2 ARG A 16 8.025 23.489 -7.543 1.00 61.31 N ATOM 0 H ARG A 16 11.749 22.571 -1.508 1.00 2.41 H new ATOM 0 HA ARG A 16 12.638 25.272 -1.290 1.00 31.15 H new ATOM 0 HB2 ARG A 16 12.021 25.479 -3.586 1.00 12.41 H new ATOM 0 HB3 ARG A 16 12.811 23.933 -3.350 1.00 12.41 H new ATOM 0 HG2 ARG A 16 10.643 22.776 -3.415 1.00 75.42 H new ATOM 0 HG3 ARG A 16 9.802 24.308 -3.546 1.00 75.42 H new ATOM 0 HD2 ARG A 16 11.147 24.777 -5.649 1.00 13.34 H new ATOM 0 HD3 ARG A 16 11.781 23.147 -5.542 1.00 13.34 H new ATOM 0 HE ARG A 16 9.531 22.273 -5.958 1.00 41.44 H new ATOM 0 HH11 ARG A 16 9.760 25.790 -6.103 1.00 44.40 H new ATOM 0 HH12 ARG A 16 8.457 25.949 -7.286 1.00 44.40 H new ATOM 0 HH21 ARG A 16 7.917 22.475 -7.567 1.00 61.31 H new ATOM 0 HH22 ARG A 16 7.418 24.080 -8.112 1.00 61.31 H new ATOM 270 N ALA A 17 9.428 24.694 -0.981 1.00 2.12 N ATOM 271 CA ALA A 17 8.177 25.315 -0.553 1.00 33.54 C ATOM 272 C ALA A 17 8.342 25.928 0.827 1.00 24.54 C ATOM 273 O ALA A 17 7.691 26.918 1.165 1.00 1.33 O ATOM 274 CB ALA A 17 7.039 24.305 -0.549 1.00 34.13 C ATOM 0 H ALA A 17 9.391 23.678 -1.062 1.00 2.12 H new ATOM 0 HA ALA A 17 7.927 26.103 -1.264 1.00 33.54 H new ATOM 0 HB1 ALA A 17 6.120 24.794 -0.226 1.00 34.13 H new ATOM 0 HB2 ALA A 17 6.904 23.905 -1.554 1.00 34.13 H new ATOM 0 HB3 ALA A 17 7.277 23.491 0.136 1.00 34.13 H new ATOM 280 N GLY A 18 9.213 25.323 1.625 1.00 51.14 N ATOM 281 CA GLY A 18 9.533 25.870 2.924 1.00 30.22 C ATOM 282 C GLY A 18 10.307 27.172 2.833 1.00 44.24 C ATOM 283 O GLY A 18 10.246 27.997 3.745 1.00 11.14 O ATOM 0 H GLY A 18 9.704 24.460 1.392 1.00 51.14 H new ATOM 0 HA2 GLY A 18 8.611 26.038 3.481 1.00 30.22 H new ATOM 0 HA3 GLY A 18 10.118 25.142 3.487 1.00 30.22 H new ATOM 287 N TYR A 19 11.026 27.367 1.731 1.00 34.05 N ATOM 288 CA TYR A 19 11.844 28.560 1.559 1.00 45.12 C ATOM 289 C TYR A 19 11.757 29.095 0.135 1.00 10.22 C ATOM 290 O TYR A 19 12.652 28.864 -0.680 1.00 41.13 O ATOM 291 CB TYR A 19 13.306 28.278 1.930 1.00 74.13 C ATOM 292 CG TYR A 19 13.574 28.346 3.415 1.00 10.41 C ATOM 293 CD1 TYR A 19 13.883 29.558 4.017 1.00 25.43 C ATOM 294 CD2 TYR A 19 13.498 27.214 4.218 1.00 61.34 C ATOM 295 CE1 TYR A 19 14.115 29.642 5.374 1.00 22.44 C ATOM 296 CE2 TYR A 19 13.723 27.290 5.582 1.00 73.24 C ATOM 297 CZ TYR A 19 14.033 28.508 6.151 1.00 34.14 C ATOM 298 OH TYR A 19 14.236 28.604 7.508 1.00 52.11 O ATOM 0 H TYR A 19 11.058 26.715 0.947 1.00 34.05 H new ATOM 0 HA TYR A 19 11.453 29.323 2.232 1.00 45.12 H new ATOM 0 HB2 TYR A 19 13.581 27.289 1.564 1.00 74.13 H new ATOM 0 HB3 TYR A 19 13.947 28.997 1.420 1.00 74.13 H new ATOM 0 HD1 TYR A 19 13.943 30.451 3.412 1.00 25.43 H new ATOM 0 HD2 TYR A 19 13.260 26.260 3.771 1.00 61.34 H new ATOM 0 HE1 TYR A 19 14.360 30.592 5.825 1.00 22.44 H new ATOM 0 HE2 TYR A 19 13.656 26.403 6.195 1.00 73.24 H new ATOM 0 HH TYR A 19 15.096 28.195 7.740 1.00 52.11 H new ATOM 308 N PRO A 20 10.670 29.817 -0.190 1.00 2.25 N ATOM 309 CA PRO A 20 10.491 30.421 -1.514 1.00 33.00 C ATOM 310 C PRO A 20 11.460 31.579 -1.743 1.00 63.40 C ATOM 311 O PRO A 20 11.703 31.994 -2.876 1.00 22.41 O ATOM 312 CB PRO A 20 9.046 30.924 -1.488 1.00 62.04 C ATOM 313 CG PRO A 20 8.738 31.129 -0.043 1.00 43.04 C ATOM 314 CD PRO A 20 9.522 30.084 0.701 1.00 11.52 C ATOM 0 HA PRO A 20 10.688 29.714 -2.320 1.00 33.00 H new ATOM 0 HB2 PRO A 20 8.940 31.852 -2.050 1.00 62.04 H new ATOM 0 HB3 PRO A 20 8.367 30.200 -1.938 1.00 62.04 H new ATOM 0 HG2 PRO A 20 9.022 32.131 0.278 1.00 43.04 H new ATOM 0 HG3 PRO A 20 7.670 31.024 0.147 1.00 43.04 H new ATOM 0 HD2 PRO A 20 9.847 30.445 1.677 1.00 11.52 H new ATOM 0 HD3 PRO A 20 8.930 29.185 0.874 1.00 11.52 H new ATOM 322 N GLU A 21 12.014 32.084 -0.645 1.00 2.11 N ATOM 323 CA GLU A 21 12.988 33.168 -0.685 1.00 73.24 C ATOM 324 C GLU A 21 14.346 32.628 -1.121 1.00 20.44 C ATOM 325 O GLU A 21 15.242 33.382 -1.510 1.00 40.30 O ATOM 326 CB GLU A 21 13.139 33.796 0.707 1.00 43.24 C ATOM 327 CG GLU A 21 11.827 34.024 1.444 1.00 22.23 C ATOM 328 CD GLU A 21 10.935 35.043 0.773 1.00 20.12 C ATOM 329 OE1 GLU A 21 11.306 36.236 0.736 1.00 52.40 O ATOM 330 OE2 GLU A 21 9.847 34.661 0.300 1.00 51.00 O ATOM 0 H GLU A 21 11.800 31.753 0.296 1.00 2.11 H new ATOM 0 HA GLU A 21 12.638 33.919 -1.393 1.00 73.24 H new ATOM 0 HB2 GLU A 21 13.775 33.152 1.315 1.00 43.24 H new ATOM 0 HB3 GLU A 21 13.655 34.751 0.607 1.00 43.24 H new ATOM 0 HG2 GLU A 21 11.292 33.077 1.521 1.00 22.23 H new ATOM 0 HG3 GLU A 21 12.042 34.352 2.461 1.00 22.23 H new ATOM 337 N GLY A 22 14.479 31.313 -1.054 1.00 34.52 N ATOM 338 CA GLY A 22 15.761 30.677 -1.240 1.00 33.44 C ATOM 339 C GLY A 22 16.235 30.074 0.061 1.00 53.53 C ATOM 340 O GLY A 22 15.760 30.462 1.129 1.00 11.30 O ATOM 0 H GLY A 22 13.709 30.669 -0.871 1.00 34.52 H new ATOM 0 HA2 GLY A 22 15.684 29.902 -2.002 1.00 33.44 H new ATOM 0 HA3 GLY A 22 16.488 31.405 -1.599 1.00 33.44 H new ATOM 344 N ILE A 23 17.155 29.127 -0.013 1.00 21.02 N ATOM 345 CA ILE A 23 17.631 28.446 1.183 1.00 2.44 C ATOM 346 C ILE A 23 18.989 29.000 1.609 1.00 35.10 C ATOM 347 O ILE A 23 20.014 28.678 1.009 1.00 4.14 O ATOM 348 CB ILE A 23 17.733 26.922 0.961 1.00 73.03 C ATOM 349 CG1 ILE A 23 16.395 26.371 0.460 1.00 44.05 C ATOM 350 CG2 ILE A 23 18.145 26.226 2.250 1.00 11.14 C ATOM 351 CD1 ILE A 23 16.428 24.891 0.141 1.00 33.31 C ATOM 0 H ILE A 23 17.586 28.812 -0.882 1.00 21.02 H new ATOM 0 HA ILE A 23 16.905 28.627 1.976 1.00 2.44 H new ATOM 0 HB ILE A 23 18.495 26.728 0.206 1.00 73.03 H new ATOM 0 HG12 ILE A 23 15.631 26.554 1.215 1.00 44.05 H new ATOM 0 HG13 ILE A 23 16.098 26.920 -0.434 1.00 44.05 H new ATOM 0 HG21 ILE A 23 18.213 25.152 2.078 1.00 11.14 H new ATOM 0 HG22 ILE A 23 19.115 26.604 2.573 1.00 11.14 H new ATOM 0 HG23 ILE A 23 17.403 26.423 3.023 1.00 11.14 H new ATOM 0 HD11 ILE A 23 15.446 24.572 -0.208 1.00 33.31 H new ATOM 0 HD12 ILE A 23 17.168 24.703 -0.637 1.00 33.31 H new ATOM 0 HD13 ILE A 23 16.694 24.331 1.038 1.00 33.31 H new ATOM 363 N PRO A 24 19.004 29.852 2.646 1.00 3.32 N ATOM 364 CA PRO A 24 20.230 30.507 3.110 1.00 71.45 C ATOM 365 C PRO A 24 21.225 29.528 3.731 1.00 31.25 C ATOM 366 O PRO A 24 20.835 28.473 4.234 1.00 10.15 O ATOM 367 CB PRO A 24 19.732 31.510 4.159 1.00 34.22 C ATOM 368 CG PRO A 24 18.412 30.984 4.611 1.00 32.44 C ATOM 369 CD PRO A 24 17.826 30.243 3.444 1.00 74.45 C ATOM 0 HA PRO A 24 20.773 30.969 2.286 1.00 71.45 H new ATOM 0 HB2 PRO A 24 20.431 31.587 4.992 1.00 34.22 H new ATOM 0 HB3 PRO A 24 19.633 32.508 3.733 1.00 34.22 H new ATOM 0 HG2 PRO A 24 18.531 30.323 5.470 1.00 32.44 H new ATOM 0 HG3 PRO A 24 17.757 31.797 4.923 1.00 32.44 H new ATOM 0 HD2 PRO A 24 17.256 29.372 3.769 1.00 74.45 H new ATOM 0 HD3 PRO A 24 17.146 30.873 2.871 1.00 74.45 H new ATOM 377 N PRO A 25 22.526 29.877 3.703 1.00 35.02 N ATOM 378 CA PRO A 25 23.605 29.031 4.242 1.00 12.04 C ATOM 379 C PRO A 25 23.370 28.618 5.694 1.00 11.40 C ATOM 380 O PRO A 25 23.796 27.545 6.120 1.00 22.20 O ATOM 381 CB PRO A 25 24.844 29.923 4.144 1.00 2.20 C ATOM 382 CG PRO A 25 24.533 30.893 3.058 1.00 24.32 C ATOM 383 CD PRO A 25 23.050 31.125 3.116 1.00 72.20 C ATOM 0 HA PRO A 25 23.686 28.093 3.692 1.00 12.04 H new ATOM 0 HB2 PRO A 25 25.038 30.434 5.087 1.00 2.20 H new ATOM 0 HB3 PRO A 25 25.734 29.339 3.909 1.00 2.20 H new ATOM 0 HG2 PRO A 25 25.079 31.826 3.201 1.00 24.32 H new ATOM 0 HG3 PRO A 25 24.827 30.497 2.086 1.00 24.32 H new ATOM 0 HD2 PRO A 25 22.803 31.991 3.730 1.00 72.20 H new ATOM 0 HD3 PRO A 25 22.634 31.308 2.125 1.00 72.20 H new ATOM 391 N THR A 26 22.688 29.473 6.439 1.00 51.12 N ATOM 392 CA THR A 26 22.384 29.213 7.837 1.00 71.04 C ATOM 393 C THR A 26 21.432 28.030 7.983 1.00 51.20 C ATOM 394 O THR A 26 21.592 27.183 8.865 1.00 74.44 O ATOM 395 CB THR A 26 21.743 30.458 8.480 1.00 21.22 C ATOM 396 OG1 THR A 26 20.678 30.938 7.644 1.00 52.23 O ATOM 397 CG2 THR A 26 22.775 31.561 8.675 1.00 51.12 C ATOM 0 H THR A 26 22.331 30.364 6.093 1.00 51.12 H new ATOM 0 HA THR A 26 23.320 28.975 8.342 1.00 71.04 H new ATOM 0 HB THR A 26 21.348 30.177 9.456 1.00 21.22 H new ATOM 0 HG1 THR A 26 19.853 30.452 7.854 1.00 52.23 H new ATOM 0 HG21 THR A 26 22.298 32.429 9.130 1.00 51.12 H new ATOM 0 HG22 THR A 26 23.573 31.202 9.326 1.00 51.12 H new ATOM 0 HG23 THR A 26 23.194 31.842 7.709 1.00 51.12 H new ATOM 405 N ASP A 27 20.463 27.967 7.083 1.00 40.23 N ATOM 406 CA ASP A 27 19.379 27.007 7.192 1.00 64.21 C ATOM 407 C ASP A 27 19.611 25.788 6.308 1.00 23.45 C ATOM 408 O ASP A 27 19.052 24.729 6.559 1.00 13.20 O ATOM 409 CB ASP A 27 18.052 27.672 6.829 1.00 62.14 C ATOM 410 CG ASP A 27 17.586 28.658 7.886 1.00 1.21 C ATOM 411 OD1 ASP A 27 18.208 29.737 8.027 1.00 22.33 O ATOM 412 OD2 ASP A 27 16.595 28.360 8.576 1.00 12.42 O ATOM 0 H ASP A 27 20.407 28.574 6.265 1.00 40.23 H new ATOM 0 HA ASP A 27 19.344 26.664 8.226 1.00 64.21 H new ATOM 0 HB2 ASP A 27 18.158 28.190 5.876 1.00 62.14 H new ATOM 0 HB3 ASP A 27 17.290 26.904 6.692 1.00 62.14 H new ATOM 417 N SER A 28 20.439 25.933 5.284 1.00 54.23 N ATOM 418 CA SER A 28 20.723 24.832 4.371 1.00 53.34 C ATOM 419 C SER A 28 21.436 23.689 5.091 1.00 42.43 C ATOM 420 O SER A 28 21.049 22.522 4.975 1.00 42.13 O ATOM 421 CB SER A 28 21.567 25.333 3.205 1.00 4.45 C ATOM 422 OG SER A 28 22.669 26.082 3.679 1.00 12.42 O ATOM 0 H SER A 28 20.927 26.801 5.063 1.00 54.23 H new ATOM 0 HA SER A 28 19.777 24.448 3.990 1.00 53.34 H new ATOM 0 HB2 SER A 28 21.921 24.488 2.615 1.00 4.45 H new ATOM 0 HB3 SER A 28 20.957 25.950 2.545 1.00 4.45 H new ATOM 0 HG SER A 28 23.472 25.521 3.675 1.00 12.42 H new ATOM 428 N PHE A 29 22.476 24.030 5.843 1.00 42.55 N ATOM 429 CA PHE A 29 23.204 23.043 6.626 1.00 4.12 C ATOM 430 C PHE A 29 22.304 22.487 7.720 1.00 35.43 C ATOM 431 O PHE A 29 22.418 21.325 8.123 1.00 12.15 O ATOM 432 CB PHE A 29 24.475 23.653 7.225 1.00 33.34 C ATOM 433 CG PHE A 29 25.486 24.095 6.195 1.00 34.33 C ATOM 434 CD1 PHE A 29 25.355 23.730 4.861 1.00 24.54 C ATOM 435 CD2 PHE A 29 26.569 24.873 6.563 1.00 60.53 C ATOM 436 CE1 PHE A 29 26.283 24.135 3.922 1.00 25.20 C ATOM 437 CE2 PHE A 29 27.500 25.280 5.627 1.00 42.44 C ATOM 438 CZ PHE A 29 27.356 24.912 4.305 1.00 14.20 C ATOM 0 H PHE A 29 22.833 24.982 5.926 1.00 42.55 H new ATOM 0 HA PHE A 29 23.505 22.226 5.970 1.00 4.12 H new ATOM 0 HB2 PHE A 29 24.200 24.510 7.840 1.00 33.34 H new ATOM 0 HB3 PHE A 29 24.940 22.922 7.886 1.00 33.34 H new ATOM 0 HD1 PHE A 29 24.517 23.122 4.554 1.00 24.54 H new ATOM 0 HD2 PHE A 29 26.688 25.166 7.596 1.00 60.53 H new ATOM 0 HE1 PHE A 29 26.169 23.843 2.888 1.00 25.20 H new ATOM 0 HE2 PHE A 29 28.341 25.886 5.930 1.00 42.44 H new ATOM 0 HZ PHE A 29 28.082 25.232 3.572 1.00 14.20 H new ATOM 448 N ALA A 30 21.390 23.326 8.176 1.00 14.21 N ATOM 449 CA ALA A 30 20.380 22.911 9.127 1.00 35.22 C ATOM 450 C ALA A 30 19.468 21.865 8.494 1.00 13.34 C ATOM 451 O ALA A 30 19.119 20.868 9.126 1.00 31.42 O ATOM 452 CB ALA A 30 19.586 24.119 9.593 1.00 43.15 C ATOM 0 H ALA A 30 21.329 24.306 7.899 1.00 14.21 H new ATOM 0 HA ALA A 30 20.861 22.461 9.996 1.00 35.22 H new ATOM 0 HB1 ALA A 30 18.827 23.802 10.308 1.00 43.15 H new ATOM 0 HB2 ALA A 30 20.257 24.834 10.069 1.00 43.15 H new ATOM 0 HB3 ALA A 30 19.103 24.589 8.737 1.00 43.15 H new ATOM 458 N VAL A 31 19.101 22.092 7.235 1.00 22.11 N ATOM 459 CA VAL A 31 18.289 21.143 6.481 1.00 35.35 C ATOM 460 C VAL A 31 19.012 19.811 6.323 1.00 24.34 C ATOM 461 O VAL A 31 18.420 18.755 6.532 1.00 23.22 O ATOM 462 CB VAL A 31 17.913 21.686 5.079 1.00 1.31 C ATOM 463 CG1 VAL A 31 17.207 20.623 4.250 1.00 65.31 C ATOM 464 CG2 VAL A 31 17.035 22.921 5.195 1.00 4.31 C ATOM 0 H VAL A 31 19.356 22.931 6.714 1.00 22.11 H new ATOM 0 HA VAL A 31 17.373 20.996 7.052 1.00 35.35 H new ATOM 0 HB VAL A 31 18.839 21.960 4.573 1.00 1.31 H new ATOM 0 HG11 VAL A 31 16.955 21.032 3.272 1.00 65.31 H new ATOM 0 HG12 VAL A 31 17.865 19.763 4.125 1.00 65.31 H new ATOM 0 HG13 VAL A 31 16.295 20.311 4.759 1.00 65.31 H new ATOM 0 HG21 VAL A 31 16.784 23.284 4.198 1.00 4.31 H new ATOM 0 HG22 VAL A 31 16.120 22.668 5.730 1.00 4.31 H new ATOM 0 HG23 VAL A 31 17.571 23.698 5.740 1.00 4.31 H new ATOM 474 N LEU A 32 20.294 19.856 5.964 1.00 10.50 N ATOM 475 CA LEU A 32 21.058 18.627 5.767 1.00 25.41 C ATOM 476 C LEU A 32 21.152 17.849 7.080 1.00 40.04 C ATOM 477 O LEU A 32 21.001 16.626 7.096 1.00 73.03 O ATOM 478 CB LEU A 32 22.450 18.921 5.165 1.00 30.42 C ATOM 479 CG LEU A 32 23.537 19.425 6.122 1.00 42.24 C ATOM 480 CD1 LEU A 32 24.234 18.263 6.809 1.00 63.55 C ATOM 481 CD2 LEU A 32 24.551 20.277 5.379 1.00 45.32 C ATOM 0 H LEU A 32 20.818 20.716 5.806 1.00 10.50 H new ATOM 0 HA LEU A 32 20.533 18.002 5.045 1.00 25.41 H new ATOM 0 HB2 LEU A 32 22.813 18.008 4.693 1.00 30.42 H new ATOM 0 HB3 LEU A 32 22.326 19.661 4.375 1.00 30.42 H new ATOM 0 HG LEU A 32 23.056 20.038 6.884 1.00 42.24 H new ATOM 0 HD11 LEU A 32 25.001 18.646 7.483 1.00 63.55 H new ATOM 0 HD12 LEU A 32 23.505 17.687 7.379 1.00 63.55 H new ATOM 0 HD13 LEU A 32 24.697 17.622 6.059 1.00 63.55 H new ATOM 0 HD21 LEU A 32 25.314 20.625 6.075 1.00 45.32 H new ATOM 0 HD22 LEU A 32 25.020 19.683 4.594 1.00 45.32 H new ATOM 0 HD23 LEU A 32 24.048 21.135 4.933 1.00 45.32 H new ATOM 493 N ALA A 33 21.367 18.564 8.185 1.00 25.31 N ATOM 494 CA ALA A 33 21.433 17.929 9.498 1.00 12.22 C ATOM 495 C ALA A 33 20.084 17.332 9.875 1.00 4.10 C ATOM 496 O ALA A 33 20.010 16.251 10.459 1.00 40.14 O ATOM 497 CB ALA A 33 21.879 18.928 10.553 1.00 3.22 C ATOM 0 H ALA A 33 21.497 19.576 8.196 1.00 25.31 H new ATOM 0 HA ALA A 33 22.166 17.124 9.449 1.00 12.22 H new ATOM 0 HB1 ALA A 33 21.922 18.436 11.525 1.00 3.22 H new ATOM 0 HB2 ALA A 33 22.866 19.312 10.296 1.00 3.22 H new ATOM 0 HB3 ALA A 33 21.169 19.754 10.596 1.00 3.22 H new ATOM 503 N LEU A 34 19.022 18.045 9.525 1.00 53.14 N ATOM 504 CA LEU A 34 17.665 17.583 9.770 1.00 63.15 C ATOM 505 C LEU A 34 17.379 16.321 8.968 1.00 74.13 C ATOM 506 O LEU A 34 16.945 15.305 9.510 1.00 75.13 O ATOM 507 CB LEU A 34 16.672 18.672 9.368 1.00 2.44 C ATOM 508 CG LEU A 34 15.211 18.386 9.692 1.00 20.15 C ATOM 509 CD1 LEU A 34 15.007 18.310 11.197 1.00 40.53 C ATOM 510 CD2 LEU A 34 14.326 19.458 9.076 1.00 2.14 C ATOM 0 H LEU A 34 19.077 18.954 9.066 1.00 53.14 H new ATOM 0 HA LEU A 34 17.560 17.360 10.832 1.00 63.15 H new ATOM 0 HB2 LEU A 34 16.960 19.600 9.862 1.00 2.44 H new ATOM 0 HB3 LEU A 34 16.761 18.841 8.295 1.00 2.44 H new ATOM 0 HG LEU A 34 14.933 17.422 9.266 1.00 20.15 H new ATOM 0 HD11 LEU A 34 13.958 18.105 11.412 1.00 40.53 H new ATOM 0 HD12 LEU A 34 15.624 17.511 11.608 1.00 40.53 H new ATOM 0 HD13 LEU A 34 15.292 19.259 11.651 1.00 40.53 H new ATOM 0 HD21 LEU A 34 13.283 19.248 9.311 1.00 2.14 H new ATOM 0 HD22 LEU A 34 14.600 20.433 9.480 1.00 2.14 H new ATOM 0 HD23 LEU A 34 14.460 19.463 7.994 1.00 2.14 H new ATOM 522 N LEU A 35 17.644 16.396 7.669 1.00 33.13 N ATOM 523 CA LEU A 35 17.362 15.295 6.767 1.00 40.52 C ATOM 524 C LEU A 35 18.246 14.091 7.065 1.00 5.24 C ATOM 525 O LEU A 35 17.856 12.958 6.810 1.00 72.35 O ATOM 526 CB LEU A 35 17.543 15.723 5.308 1.00 55.52 C ATOM 527 CG LEU A 35 16.521 16.736 4.794 1.00 3.21 C ATOM 528 CD1 LEU A 35 16.800 17.075 3.339 1.00 51.22 C ATOM 529 CD2 LEU A 35 15.107 16.196 4.951 1.00 64.40 C ATOM 0 H LEU A 35 18.056 17.214 7.219 1.00 33.13 H new ATOM 0 HA LEU A 35 16.323 15.007 6.925 1.00 40.52 H new ATOM 0 HB2 LEU A 35 18.540 16.147 5.192 1.00 55.52 H new ATOM 0 HB3 LEU A 35 17.499 14.835 4.678 1.00 55.52 H new ATOM 0 HG LEU A 35 16.609 17.646 5.387 1.00 3.21 H new ATOM 0 HD11 LEU A 35 16.064 17.798 2.986 1.00 51.22 H new ATOM 0 HD12 LEU A 35 17.799 17.502 3.250 1.00 51.22 H new ATOM 0 HD13 LEU A 35 16.737 16.169 2.736 1.00 51.22 H new ATOM 0 HD21 LEU A 35 14.393 16.931 4.580 1.00 64.40 H new ATOM 0 HD22 LEU A 35 15.005 15.272 4.382 1.00 64.40 H new ATOM 0 HD23 LEU A 35 14.908 15.997 6.004 1.00 64.40 H new ATOM 541 N CYS A 36 19.428 14.339 7.619 1.00 33.14 N ATOM 542 CA CYS A 36 20.368 13.271 7.953 1.00 11.42 C ATOM 543 C CYS A 36 19.779 12.301 8.987 1.00 12.21 C ATOM 544 O CYS A 36 20.301 11.199 9.190 1.00 70.34 O ATOM 545 CB CYS A 36 21.678 13.867 8.481 1.00 4.50 C ATOM 546 SG CYS A 36 22.959 12.644 8.842 1.00 54.32 S ATOM 0 H CYS A 36 19.761 15.276 7.848 1.00 33.14 H new ATOM 0 HA CYS A 36 20.567 12.708 7.041 1.00 11.42 H new ATOM 0 HB2 CYS A 36 22.064 14.574 7.747 1.00 4.50 H new ATOM 0 HB3 CYS A 36 21.466 14.433 9.388 1.00 4.50 H new ATOM 0 HG CYS A 36 22.402 11.515 9.167 1.00 54.32 H new ATOM 552 N ARG A 37 18.697 12.704 9.640 1.00 51.20 N ATOM 553 CA ARG A 37 18.045 11.847 10.622 1.00 34.43 C ATOM 554 C ARG A 37 16.968 10.985 9.965 1.00 14.35 C ATOM 555 O ARG A 37 16.328 10.164 10.624 1.00 42.53 O ATOM 556 CB ARG A 37 17.437 12.683 11.749 1.00 32.30 C ATOM 557 CG ARG A 37 18.462 13.507 12.511 1.00 43.23 C ATOM 558 CD ARG A 37 18.323 13.313 14.012 1.00 5.05 C ATOM 559 NE ARG A 37 18.609 11.935 14.407 1.00 43.43 N ATOM 560 CZ ARG A 37 17.749 11.142 15.042 1.00 2.44 C ATOM 561 NH1 ARG A 37 16.536 11.583 15.361 1.00 61.42 N ATOM 562 NH2 ARG A 37 18.111 9.903 15.356 1.00 55.24 N ATOM 0 H ARG A 37 18.254 13.613 9.509 1.00 51.20 H new ATOM 0 HA ARG A 37 18.802 11.187 11.046 1.00 34.43 H new ATOM 0 HB2 ARG A 37 16.684 13.351 11.330 1.00 32.30 H new ATOM 0 HB3 ARG A 37 16.924 12.021 12.446 1.00 32.30 H new ATOM 0 HG2 ARG A 37 19.466 13.222 12.197 1.00 43.23 H new ATOM 0 HG3 ARG A 37 18.338 14.562 12.266 1.00 43.23 H new ATOM 0 HD2 ARG A 37 19.003 13.989 14.531 1.00 5.05 H new ATOM 0 HD3 ARG A 37 17.312 13.578 14.321 1.00 5.05 H new ATOM 0 HE ARG A 37 19.529 11.556 14.181 1.00 43.43 H new ATOM 0 HH11 ARG A 37 16.259 12.534 15.119 1.00 61.42 H new ATOM 0 HH12 ARG A 37 15.882 10.970 15.848 1.00 61.42 H new ATOM 0 HH21 ARG A 37 19.042 9.566 15.111 1.00 55.24 H new ATOM 0 HH22 ARG A 37 17.458 9.289 15.843 1.00 55.24 H new ATOM 576 N ARG A 38 16.772 11.173 8.667 1.00 2.53 N ATOM 577 CA ARG A 38 15.787 10.401 7.919 1.00 2.05 C ATOM 578 C ARG A 38 16.431 9.775 6.678 1.00 61.41 C ATOM 579 O ARG A 38 16.096 8.656 6.285 1.00 11.31 O ATOM 580 CB ARG A 38 14.592 11.295 7.537 1.00 23.14 C ATOM 581 CG ARG A 38 13.524 10.594 6.704 1.00 24.55 C ATOM 582 CD ARG A 38 13.099 9.264 7.312 1.00 5.44 C ATOM 583 NE ARG A 38 12.625 9.389 8.691 1.00 52.14 N ATOM 584 CZ ARG A 38 11.725 8.570 9.236 1.00 24.15 C ATOM 585 NH1 ARG A 38 11.124 7.652 8.493 1.00 53.54 N ATOM 586 NH2 ARG A 38 11.405 8.685 10.515 1.00 25.01 N ATOM 0 H ARG A 38 17.284 11.856 8.108 1.00 2.53 H new ATOM 0 HA ARG A 38 15.417 9.591 8.548 1.00 2.05 H new ATOM 0 HB2 ARG A 38 14.133 11.676 8.449 1.00 23.14 H new ATOM 0 HB3 ARG A 38 14.961 12.157 6.982 1.00 23.14 H new ATOM 0 HG2 ARG A 38 12.654 11.244 6.612 1.00 24.55 H new ATOM 0 HG3 ARG A 38 13.904 10.426 5.696 1.00 24.55 H new ATOM 0 HD2 ARG A 38 12.309 8.828 6.701 1.00 5.44 H new ATOM 0 HD3 ARG A 38 13.942 8.573 7.285 1.00 5.44 H new ATOM 0 HE ARG A 38 13.003 10.142 9.265 1.00 52.14 H new ATOM 0 HH11 ARG A 38 11.350 7.571 7.502 1.00 53.54 H new ATOM 0 HH12 ARG A 38 10.436 7.027 8.913 1.00 53.54 H new ATOM 0 HH21 ARG A 38 11.848 9.403 11.089 1.00 25.01 H new ATOM 0 HH22 ARG A 38 10.716 8.056 10.927 1.00 25.01 H new ATOM 600 N LEU A 39 17.360 10.497 6.078 1.00 65.23 N ATOM 601 CA LEU A 39 18.076 10.028 4.901 1.00 20.15 C ATOM 602 C LEU A 39 19.578 10.149 5.142 1.00 65.21 C ATOM 603 O LEU A 39 19.999 10.804 6.095 1.00 43.15 O ATOM 604 CB LEU A 39 17.665 10.851 3.678 1.00 10.31 C ATOM 605 CG LEU A 39 16.169 10.855 3.353 1.00 51.21 C ATOM 606 CD1 LEU A 39 15.867 11.861 2.253 1.00 2.22 C ATOM 607 CD2 LEU A 39 15.708 9.464 2.939 1.00 20.33 C ATOM 0 H LEU A 39 17.641 11.426 6.392 1.00 65.23 H new ATOM 0 HA LEU A 39 17.827 8.983 4.715 1.00 20.15 H new ATOM 0 HB2 LEU A 39 17.988 11.881 3.831 1.00 10.31 H new ATOM 0 HB3 LEU A 39 18.206 10.473 2.810 1.00 10.31 H new ATOM 0 HG LEU A 39 15.623 11.147 4.250 1.00 51.21 H new ATOM 0 HD11 LEU A 39 14.799 11.851 2.034 1.00 2.22 H new ATOM 0 HD12 LEU A 39 16.161 12.858 2.581 1.00 2.22 H new ATOM 0 HD13 LEU A 39 16.424 11.596 1.354 1.00 2.22 H new ATOM 0 HD21 LEU A 39 14.642 9.487 2.712 1.00 20.33 H new ATOM 0 HD22 LEU A 39 16.261 9.146 2.055 1.00 20.33 H new ATOM 0 HD23 LEU A 39 15.891 8.763 3.753 1.00 20.33 H new ATOM 619 N SER A 40 20.390 9.522 4.299 1.00 0.33 N ATOM 620 CA SER A 40 21.834 9.579 4.485 1.00 2.24 C ATOM 621 C SER A 40 22.429 10.770 3.736 1.00 60.02 C ATOM 622 O SER A 40 21.719 11.503 3.035 1.00 20.13 O ATOM 623 CB SER A 40 22.499 8.277 4.019 1.00 31.30 C ATOM 624 OG SER A 40 22.874 8.344 2.652 1.00 44.04 O ATOM 0 H SER A 40 20.080 8.978 3.494 1.00 0.33 H new ATOM 0 HA SER A 40 22.028 9.704 5.550 1.00 2.24 H new ATOM 0 HB2 SER A 40 23.380 8.079 4.630 1.00 31.30 H new ATOM 0 HB3 SER A 40 21.813 7.443 4.169 1.00 31.30 H new ATOM 0 HG SER A 40 22.213 7.867 2.108 1.00 44.04 H new ATOM 630 N HIS A 41 23.742 10.946 3.869 1.00 13.31 N ATOM 631 CA HIS A 41 24.437 12.050 3.220 1.00 75.25 C ATOM 632 C HIS A 41 24.382 11.935 1.695 1.00 41.11 C ATOM 633 O HIS A 41 24.529 12.927 0.986 1.00 41.13 O ATOM 634 CB HIS A 41 25.887 12.205 3.729 1.00 10.05 C ATOM 635 CG HIS A 41 26.822 11.051 3.474 1.00 74.22 C ATOM 636 ND1 HIS A 41 28.131 11.044 3.910 1.00 64.11 N ATOM 637 CD2 HIS A 41 26.648 9.877 2.822 1.00 31.41 C ATOM 638 CE1 HIS A 41 28.715 9.923 3.534 1.00 64.54 C ATOM 639 NE2 HIS A 41 27.837 9.194 2.869 1.00 43.23 N ATOM 0 H HIS A 41 24.345 10.336 4.422 1.00 13.31 H new ATOM 0 HA HIS A 41 23.907 12.962 3.496 1.00 75.25 H new ATOM 0 HB2 HIS A 41 26.315 13.097 3.271 1.00 10.05 H new ATOM 0 HB3 HIS A 41 25.853 12.384 4.804 1.00 10.05 H new ATOM 0 HD1 HIS A 41 28.578 11.791 4.441 1.00 64.11 H new ATOM 0 HD2 HIS A 41 25.737 9.539 2.350 1.00 31.41 H new ATOM 0 HE1 HIS A 41 29.739 9.647 3.736 1.00 64.54 H new ATOM 648 N ASP A 42 24.169 10.726 1.188 1.00 23.54 N ATOM 649 CA ASP A 42 24.047 10.524 -0.249 1.00 0.05 C ATOM 650 C ASP A 42 22.702 11.029 -0.741 1.00 12.44 C ATOM 651 O ASP A 42 22.623 11.690 -1.775 1.00 21.11 O ATOM 652 CB ASP A 42 24.228 9.055 -0.618 1.00 61.05 C ATOM 653 CG ASP A 42 25.686 8.687 -0.778 1.00 60.32 C ATOM 654 OD1 ASP A 42 26.341 8.374 0.235 1.00 11.00 O ATOM 655 OD2 ASP A 42 26.187 8.726 -1.923 1.00 63.43 O ATOM 0 H ASP A 42 24.078 9.877 1.747 1.00 23.54 H new ATOM 0 HA ASP A 42 24.838 11.094 -0.736 1.00 0.05 H new ATOM 0 HB2 ASP A 42 23.779 8.429 0.153 1.00 61.05 H new ATOM 0 HB3 ASP A 42 23.697 8.846 -1.547 1.00 61.05 H new ATOM 660 N GLU A 43 21.650 10.722 0.007 1.00 14.52 N ATOM 661 CA GLU A 43 20.321 11.216 -0.320 1.00 51.01 C ATOM 662 C GLU A 43 20.273 12.735 -0.240 1.00 73.32 C ATOM 663 O GLU A 43 19.710 13.387 -1.118 1.00 20.03 O ATOM 664 CB GLU A 43 19.254 10.624 0.600 1.00 51.22 C ATOM 665 CG GLU A 43 18.998 9.138 0.403 1.00 54.12 C ATOM 666 CD GLU A 43 19.910 8.268 1.239 1.00 74.12 C ATOM 667 OE1 GLU A 43 21.078 8.086 0.858 1.00 44.24 O ATOM 668 OE2 GLU A 43 19.458 7.767 2.291 1.00 43.22 O ATOM 0 H GLU A 43 21.692 10.136 0.841 1.00 14.52 H new ATOM 0 HA GLU A 43 20.108 10.901 -1.341 1.00 51.01 H new ATOM 0 HB2 GLU A 43 19.551 10.793 1.635 1.00 51.22 H new ATOM 0 HB3 GLU A 43 18.320 11.163 0.444 1.00 51.22 H new ATOM 0 HG2 GLU A 43 17.961 8.916 0.655 1.00 54.12 H new ATOM 0 HG3 GLU A 43 19.130 8.888 -0.650 1.00 54.12 H new ATOM 675 N VAL A 44 20.858 13.304 0.812 1.00 12.04 N ATOM 676 CA VAL A 44 20.881 14.756 0.944 1.00 64.12 C ATOM 677 C VAL A 44 21.767 15.379 -0.135 1.00 44.32 C ATOM 678 O VAL A 44 21.487 16.476 -0.616 1.00 4.42 O ATOM 679 CB VAL A 44 21.321 15.229 2.352 1.00 64.34 C ATOM 680 CG1 VAL A 44 20.390 14.671 3.416 1.00 55.54 C ATOM 681 CG2 VAL A 44 22.758 14.843 2.646 1.00 41.02 C ATOM 0 H VAL A 44 21.313 12.794 1.569 1.00 12.04 H new ATOM 0 HA VAL A 44 19.855 15.098 0.808 1.00 64.12 H new ATOM 0 HB VAL A 44 21.261 16.317 2.370 1.00 64.34 H new ATOM 0 HG11 VAL A 44 20.714 15.013 4.399 1.00 55.54 H new ATOM 0 HG12 VAL A 44 19.374 15.017 3.228 1.00 55.54 H new ATOM 0 HG13 VAL A 44 20.414 13.582 3.385 1.00 55.54 H new ATOM 0 HG21 VAL A 44 23.032 15.191 3.642 1.00 41.02 H new ATOM 0 HG22 VAL A 44 22.860 13.759 2.600 1.00 41.02 H new ATOM 0 HG23 VAL A 44 23.416 15.301 1.908 1.00 41.02 H new ATOM 691 N LYS A 45 22.826 14.670 -0.532 1.00 40.31 N ATOM 692 CA LYS A 45 23.643 15.103 -1.661 1.00 12.13 C ATOM 693 C LYS A 45 22.788 15.158 -2.922 1.00 13.43 C ATOM 694 O LYS A 45 22.865 16.108 -3.700 1.00 15.20 O ATOM 695 CB LYS A 45 24.837 14.156 -1.884 1.00 61.33 C ATOM 696 CG LYS A 45 25.688 14.528 -3.091 1.00 2.02 C ATOM 697 CD LYS A 45 26.609 13.393 -3.523 1.00 33.13 C ATOM 698 CE LYS A 45 27.663 13.063 -2.474 1.00 75.13 C ATOM 699 NZ LYS A 45 28.637 12.052 -2.972 1.00 24.32 N ATOM 0 H LYS A 45 23.133 13.803 -0.092 1.00 40.31 H new ATOM 0 HA LYS A 45 24.034 16.095 -1.436 1.00 12.13 H new ATOM 0 HB2 LYS A 45 25.464 14.158 -0.992 1.00 61.33 H new ATOM 0 HB3 LYS A 45 24.466 13.139 -2.010 1.00 61.33 H new ATOM 0 HG2 LYS A 45 25.037 14.800 -3.922 1.00 2.02 H new ATOM 0 HG3 LYS A 45 26.286 15.408 -2.853 1.00 2.02 H new ATOM 0 HD2 LYS A 45 26.013 12.503 -3.726 1.00 33.13 H new ATOM 0 HD3 LYS A 45 27.103 13.666 -4.456 1.00 33.13 H new ATOM 0 HE2 LYS A 45 28.194 13.972 -2.193 1.00 75.13 H new ATOM 0 HE3 LYS A 45 27.176 12.687 -1.574 1.00 75.13 H new ATOM 0 HZ1 LYS A 45 29.339 11.852 -2.231 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 28.133 11.176 -3.217 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 29.120 12.421 -3.816 1.00 24.32 H new ATOM 713 N ALA A 46 21.959 14.136 -3.102 1.00 24.01 N ATOM 714 CA ALA A 46 21.098 14.036 -4.272 1.00 74.23 C ATOM 715 C ALA A 46 20.050 15.142 -4.288 1.00 34.34 C ATOM 716 O ALA A 46 19.887 15.828 -5.295 1.00 23.14 O ATOM 717 CB ALA A 46 20.429 12.671 -4.319 1.00 34.25 C ATOM 0 H ALA A 46 21.866 13.360 -2.446 1.00 24.01 H new ATOM 0 HA ALA A 46 21.722 14.156 -5.158 1.00 74.23 H new ATOM 0 HB1 ALA A 46 19.788 12.610 -5.199 1.00 34.25 H new ATOM 0 HB2 ALA A 46 21.191 11.894 -4.371 1.00 34.25 H new ATOM 0 HB3 ALA A 46 19.827 12.530 -3.421 1.00 34.25 H new ATOM 723 N VAL A 47 19.350 15.327 -3.170 1.00 63.11 N ATOM 724 CA VAL A 47 18.296 16.334 -3.095 1.00 5.15 C ATOM 725 C VAL A 47 18.873 17.743 -3.254 1.00 71.40 C ATOM 726 O VAL A 47 18.265 18.598 -3.899 1.00 3.44 O ATOM 727 CB VAL A 47 17.477 16.222 -1.779 1.00 52.11 C ATOM 728 CG1 VAL A 47 18.321 16.542 -0.556 1.00 2.14 C ATOM 729 CG2 VAL A 47 16.251 17.120 -1.828 1.00 1.32 C ATOM 0 H VAL A 47 19.493 14.797 -2.310 1.00 63.11 H new ATOM 0 HA VAL A 47 17.612 16.144 -3.922 1.00 5.15 H new ATOM 0 HB VAL A 47 17.150 15.186 -1.691 1.00 52.11 H new ATOM 0 HG11 VAL A 47 17.710 16.452 0.342 1.00 2.14 H new ATOM 0 HG12 VAL A 47 19.156 15.844 -0.498 1.00 2.14 H new ATOM 0 HG13 VAL A 47 18.703 17.560 -0.634 1.00 2.14 H new ATOM 0 HG21 VAL A 47 15.693 17.025 -0.896 1.00 1.32 H new ATOM 0 HG22 VAL A 47 16.564 18.156 -1.960 1.00 1.32 H new ATOM 0 HG23 VAL A 47 15.616 16.824 -2.663 1.00 1.32 H new ATOM 739 N ALA A 48 20.060 17.974 -2.698 1.00 53.54 N ATOM 740 CA ALA A 48 20.724 19.262 -2.851 1.00 3.21 C ATOM 741 C ALA A 48 21.155 19.471 -4.297 1.00 22.54 C ATOM 742 O ALA A 48 20.958 20.547 -4.855 1.00 13.30 O ATOM 743 CB ALA A 48 21.921 19.367 -1.917 1.00 15.11 C ATOM 0 H ALA A 48 20.576 17.292 -2.143 1.00 53.54 H new ATOM 0 HA ALA A 48 20.015 20.045 -2.584 1.00 3.21 H new ATOM 0 HB1 ALA A 48 22.401 20.337 -2.049 1.00 15.11 H new ATOM 0 HB2 ALA A 48 21.587 19.265 -0.885 1.00 15.11 H new ATOM 0 HB3 ALA A 48 22.633 18.575 -2.148 1.00 15.11 H new ATOM 749 N ASN A 49 21.726 18.433 -4.902 1.00 73.23 N ATOM 750 CA ASN A 49 22.151 18.496 -6.300 1.00 11.34 C ATOM 751 C ASN A 49 20.963 18.761 -7.215 1.00 21.14 C ATOM 752 O ASN A 49 21.039 19.591 -8.121 1.00 34.35 O ATOM 753 CB ASN A 49 22.844 17.195 -6.716 1.00 24.22 C ATOM 754 CG ASN A 49 23.158 17.149 -8.200 1.00 72.24 C ATOM 755 OD1 ASN A 49 22.370 16.644 -9.002 1.00 13.43 O ATOM 756 ND2 ASN A 49 24.305 17.689 -8.579 1.00 34.41 N ATOM 0 H ASN A 49 21.906 17.538 -4.447 1.00 73.23 H new ATOM 0 HA ASN A 49 22.859 19.319 -6.396 1.00 11.34 H new ATOM 0 HB2 ASN A 49 23.768 17.083 -6.149 1.00 24.22 H new ATOM 0 HB3 ASN A 49 22.207 16.349 -6.457 1.00 24.22 H new ATOM 0 HD21 ASN A 49 24.564 17.697 -9.566 1.00 34.41 H new ATOM 0 HD22 ASN A 49 24.931 18.097 -7.884 1.00 34.41 H new ATOM 763 N GLU A 50 19.869 18.055 -6.961 1.00 63.12 N ATOM 764 CA GLU A 50 18.647 18.206 -7.739 1.00 22.12 C ATOM 765 C GLU A 50 18.140 19.635 -7.646 1.00 22.40 C ATOM 766 O GLU A 50 17.908 20.301 -8.655 1.00 61.11 O ATOM 767 CB GLU A 50 17.573 17.250 -7.215 1.00 3.54 C ATOM 768 CG GLU A 50 16.243 17.344 -7.949 1.00 54.34 C ATOM 769 CD GLU A 50 16.292 16.722 -9.330 1.00 12.15 C ATOM 770 OE1 GLU A 50 16.832 15.603 -9.469 1.00 13.25 O ATOM 771 OE2 GLU A 50 15.818 17.355 -10.292 1.00 72.03 O ATOM 0 H GLU A 50 19.804 17.364 -6.213 1.00 63.12 H new ATOM 0 HA GLU A 50 18.865 17.970 -8.781 1.00 22.12 H new ATOM 0 HB2 GLU A 50 17.945 16.228 -7.289 1.00 3.54 H new ATOM 0 HB3 GLU A 50 17.407 17.453 -6.157 1.00 3.54 H new ATOM 0 HG2 GLU A 50 15.471 16.849 -7.359 1.00 54.34 H new ATOM 0 HG3 GLU A 50 15.954 18.391 -8.037 1.00 54.34 H new ATOM 778 N LEU A 51 18.002 20.101 -6.416 1.00 72.23 N ATOM 779 CA LEU A 51 17.411 21.395 -6.150 1.00 55.41 C ATOM 780 C LEU A 51 18.330 22.534 -6.613 1.00 24.41 C ATOM 781 O LEU A 51 17.862 23.537 -7.147 1.00 62.31 O ATOM 782 CB LEU A 51 17.093 21.503 -4.656 1.00 14.10 C ATOM 783 CG LEU A 51 16.207 22.683 -4.249 1.00 34.30 C ATOM 784 CD1 LEU A 51 14.996 22.796 -5.165 1.00 63.41 C ATOM 785 CD2 LEU A 51 15.756 22.532 -2.803 1.00 30.24 C ATOM 0 H LEU A 51 18.295 19.594 -5.581 1.00 72.23 H new ATOM 0 HA LEU A 51 16.485 21.489 -6.718 1.00 55.41 H new ATOM 0 HB2 LEU A 51 16.606 20.581 -4.340 1.00 14.10 H new ATOM 0 HB3 LEU A 51 18.032 21.572 -4.107 1.00 14.10 H new ATOM 0 HG LEU A 51 16.795 23.596 -4.344 1.00 34.30 H new ATOM 0 HD11 LEU A 51 14.383 23.642 -4.855 1.00 63.41 H new ATOM 0 HD12 LEU A 51 15.329 22.947 -6.192 1.00 63.41 H new ATOM 0 HD13 LEU A 51 14.408 21.880 -5.105 1.00 63.41 H new ATOM 0 HD21 LEU A 51 15.127 23.378 -2.528 1.00 30.24 H new ATOM 0 HD22 LEU A 51 15.189 21.608 -2.693 1.00 30.24 H new ATOM 0 HD23 LEU A 51 16.629 22.502 -2.151 1.00 30.24 H new ATOM 797 N MET A 52 19.638 22.368 -6.426 1.00 34.31 N ATOM 798 CA MET A 52 20.612 23.368 -6.872 1.00 22.22 C ATOM 799 C MET A 52 20.705 23.407 -8.392 1.00 41.23 C ATOM 800 O MET A 52 20.983 24.455 -8.976 1.00 64.42 O ATOM 801 CB MET A 52 22.004 23.107 -6.286 1.00 43.15 C ATOM 802 CG MET A 52 22.183 23.589 -4.856 1.00 23.10 C ATOM 803 SD MET A 52 23.891 23.438 -4.291 1.00 2.50 S ATOM 804 CE MET A 52 23.790 24.222 -2.685 1.00 45.22 C ATOM 0 H MET A 52 20.049 21.553 -5.970 1.00 34.31 H new ATOM 0 HA MET A 52 20.257 24.332 -6.509 1.00 22.22 H new ATOM 0 HB2 MET A 52 22.206 22.037 -6.324 1.00 43.15 H new ATOM 0 HB3 MET A 52 22.748 23.594 -6.917 1.00 43.15 H new ATOM 0 HG2 MET A 52 21.870 24.630 -4.784 1.00 23.10 H new ATOM 0 HG3 MET A 52 21.532 23.014 -4.197 1.00 23.10 H new ATOM 0 HE1 MET A 52 24.422 23.685 -1.978 1.00 45.22 H new ATOM 0 HE2 MET A 52 24.129 25.255 -2.763 1.00 45.22 H new ATOM 0 HE3 MET A 52 22.758 24.204 -2.336 1.00 45.22 H new ATOM 814 N ARG A 53 20.482 22.259 -9.028 1.00 0.12 N ATOM 815 CA ARG A 53 20.569 22.150 -10.483 1.00 31.34 C ATOM 816 C ARG A 53 19.544 23.062 -11.152 1.00 53.14 C ATOM 817 O ARG A 53 19.694 23.436 -12.313 1.00 11.32 O ATOM 818 CB ARG A 53 20.329 20.704 -10.926 1.00 43.45 C ATOM 819 CG ARG A 53 20.816 20.399 -12.336 1.00 71.50 C ATOM 820 CD ARG A 53 20.159 19.143 -12.898 1.00 51.30 C ATOM 821 NE ARG A 53 20.213 18.017 -11.964 1.00 54.25 N ATOM 822 CZ ARG A 53 19.130 17.465 -11.415 1.00 53.43 C ATOM 823 NH1 ARG A 53 17.927 17.946 -11.701 1.00 52.52 N ATOM 824 NH2 ARG A 53 19.248 16.440 -10.577 1.00 40.44 N ATOM 0 H ARG A 53 20.239 21.388 -8.557 1.00 0.12 H new ATOM 0 HA ARG A 53 21.570 22.457 -10.785 1.00 31.34 H new ATOM 0 HB2 ARG A 53 20.829 20.033 -10.227 1.00 43.45 H new ATOM 0 HB3 ARG A 53 19.262 20.489 -10.867 1.00 43.45 H new ATOM 0 HG2 ARG A 53 20.600 21.246 -12.987 1.00 71.50 H new ATOM 0 HG3 ARG A 53 21.898 20.271 -12.328 1.00 71.50 H new ATOM 0 HD2 ARG A 53 19.119 19.359 -13.142 1.00 51.30 H new ATOM 0 HD3 ARG A 53 20.653 18.863 -13.828 1.00 51.30 H new ATOM 0 HE ARG A 53 21.127 17.635 -11.720 1.00 54.25 H new ATOM 0 HH11 ARG A 53 17.832 18.736 -12.339 1.00 52.52 H new ATOM 0 HH12 ARG A 53 17.097 17.526 -11.283 1.00 52.52 H new ATOM 0 HH21 ARG A 53 20.171 16.071 -10.350 1.00 40.44 H new ATOM 0 HH22 ARG A 53 18.415 16.023 -10.161 1.00 40.44 H new ATOM 838 N LEU A 54 18.506 23.421 -10.403 1.00 71.25 N ATOM 839 CA LEU A 54 17.452 24.293 -10.912 1.00 62.34 C ATOM 840 C LEU A 54 17.906 25.751 -10.934 1.00 22.45 C ATOM 841 O LEU A 54 17.178 26.631 -11.392 1.00 5.15 O ATOM 842 CB LEU A 54 16.187 24.149 -10.061 1.00 64.53 C ATOM 843 CG LEU A 54 15.591 22.738 -10.014 1.00 41.12 C ATOM 844 CD1 LEU A 54 14.373 22.705 -9.102 1.00 41.11 C ATOM 845 CD2 LEU A 54 15.220 22.266 -11.413 1.00 13.34 C ATOM 0 H LEU A 54 18.372 23.120 -9.438 1.00 71.25 H new ATOM 0 HA LEU A 54 17.230 23.990 -11.935 1.00 62.34 H new ATOM 0 HB2 LEU A 54 16.415 24.464 -9.043 1.00 64.53 H new ATOM 0 HB3 LEU A 54 15.430 24.833 -10.444 1.00 64.53 H new ATOM 0 HG LEU A 54 16.344 22.061 -9.611 1.00 41.12 H new ATOM 0 HD11 LEU A 54 13.962 21.696 -9.080 1.00 41.11 H new ATOM 0 HD12 LEU A 54 14.665 23.000 -8.094 1.00 41.11 H new ATOM 0 HD13 LEU A 54 13.618 23.396 -9.478 1.00 41.11 H new ATOM 0 HD21 LEU A 54 14.799 21.262 -11.359 1.00 13.34 H new ATOM 0 HD22 LEU A 54 14.484 22.946 -11.843 1.00 13.34 H new ATOM 0 HD23 LEU A 54 16.111 22.252 -12.040 1.00 13.34 H new ATOM 857 N GLY A 55 19.102 26.002 -10.424 1.00 41.21 N ATOM 858 CA GLY A 55 19.665 27.333 -10.477 1.00 63.30 C ATOM 859 C GLY A 55 19.430 28.117 -9.202 1.00 62.12 C ATOM 860 O GLY A 55 20.375 28.427 -8.476 1.00 34.14 O ATOM 0 H GLY A 55 19.694 25.304 -9.973 1.00 41.21 H new ATOM 0 HA2 GLY A 55 20.737 27.263 -10.664 1.00 63.30 H new ATOM 0 HA3 GLY A 55 19.230 27.874 -11.317 1.00 63.30 H new ATOM 864 N ASP A 56 18.172 28.430 -8.927 1.00 0.02 N ATOM 865 CA ASP A 56 17.817 29.255 -7.777 1.00 15.42 C ATOM 866 C ASP A 56 17.863 28.456 -6.482 1.00 64.31 C ATOM 867 O ASP A 56 16.986 27.635 -6.211 1.00 71.51 O ATOM 868 CB ASP A 56 16.429 29.876 -7.960 1.00 73.02 C ATOM 869 CG ASP A 56 16.414 30.957 -9.021 1.00 5.42 C ATOM 870 OD1 ASP A 56 16.265 30.627 -10.215 1.00 72.25 O ATOM 871 OD2 ASP A 56 16.551 32.147 -8.663 1.00 0.31 O ATOM 0 H ASP A 56 17.376 28.124 -9.486 1.00 0.02 H new ATOM 0 HA ASP A 56 18.555 30.054 -7.711 1.00 15.42 H new ATOM 0 HB2 ASP A 56 15.718 29.096 -8.231 1.00 73.02 H new ATOM 0 HB3 ASP A 56 16.095 30.297 -7.012 1.00 73.02 H new ATOM 876 N PHE A 57 18.901 28.699 -5.695 1.00 41.20 N ATOM 877 CA PHE A 57 19.060 28.060 -4.396 1.00 0.01 C ATOM 878 C PHE A 57 19.905 28.964 -3.503 1.00 54.22 C ATOM 879 O PHE A 57 19.376 29.821 -2.790 1.00 53.24 O ATOM 880 CB PHE A 57 19.729 26.683 -4.564 1.00 1.34 C ATOM 881 CG PHE A 57 19.710 25.800 -3.337 1.00 74.43 C ATOM 882 CD1 PHE A 57 20.437 26.129 -2.201 1.00 34.42 C ATOM 883 CD2 PHE A 57 18.979 24.624 -3.333 1.00 53.03 C ATOM 884 CE1 PHE A 57 20.435 25.307 -1.092 1.00 53.11 C ATOM 885 CE2 PHE A 57 18.972 23.798 -2.223 1.00 74.50 C ATOM 886 CZ PHE A 57 19.699 24.141 -1.102 1.00 15.54 C ATOM 0 H PHE A 57 19.655 29.342 -5.937 1.00 41.20 H new ATOM 0 HA PHE A 57 18.084 27.908 -3.934 1.00 0.01 H new ATOM 0 HB2 PHE A 57 19.235 26.155 -5.379 1.00 1.34 H new ATOM 0 HB3 PHE A 57 20.765 26.836 -4.865 1.00 1.34 H new ATOM 0 HD1 PHE A 57 21.013 27.042 -2.185 1.00 34.42 H new ATOM 0 HD2 PHE A 57 18.407 24.348 -4.207 1.00 53.03 H new ATOM 0 HE1 PHE A 57 21.009 25.577 -0.218 1.00 53.11 H new ATOM 0 HE2 PHE A 57 18.397 22.884 -2.234 1.00 74.50 H new ATOM 0 HZ PHE A 57 19.692 23.498 -0.234 1.00 15.54 H new ATOM 896 N ASP A 58 21.217 28.770 -3.591 1.00 55.52 N ATOM 897 CA ASP A 58 22.212 29.573 -2.886 1.00 42.31 C ATOM 898 C ASP A 58 23.565 28.908 -3.085 1.00 31.30 C ATOM 899 O ASP A 58 23.733 27.729 -2.769 1.00 23.35 O ATOM 900 CB ASP A 58 21.912 29.697 -1.386 1.00 72.43 C ATOM 901 CG ASP A 58 22.636 30.873 -0.757 1.00 71.31 C ATOM 902 OD1 ASP A 58 23.808 30.727 -0.371 1.00 11.45 O ATOM 903 OD2 ASP A 58 22.028 31.965 -0.662 1.00 3.53 O ATOM 0 H ASP A 58 21.628 28.035 -4.166 1.00 55.52 H new ATOM 0 HA ASP A 58 22.198 30.585 -3.292 1.00 42.31 H new ATOM 0 HB2 ASP A 58 20.838 29.812 -1.239 1.00 72.43 H new ATOM 0 HB3 ASP A 58 22.206 28.777 -0.880 1.00 72.43 H new ATOM 908 N GLN A 59 24.511 29.638 -3.649 1.00 65.13 N ATOM 909 CA GLN A 59 25.801 29.060 -3.999 1.00 61.52 C ATOM 910 C GLN A 59 26.676 28.867 -2.764 1.00 42.02 C ATOM 911 O GLN A 59 27.396 29.776 -2.340 1.00 22.20 O ATOM 912 CB GLN A 59 26.512 29.929 -5.036 1.00 52.04 C ATOM 913 CG GLN A 59 25.675 30.186 -6.280 1.00 33.10 C ATOM 914 CD GLN A 59 25.220 28.908 -6.960 1.00 42.12 C ATOM 915 OE1 GLN A 59 25.909 27.885 -6.925 1.00 43.20 O ATOM 916 NE2 GLN A 59 24.055 28.956 -7.583 1.00 63.24 N ATOM 0 H GLN A 59 24.413 30.628 -3.875 1.00 65.13 H new ATOM 0 HA GLN A 59 25.622 28.077 -4.434 1.00 61.52 H new ATOM 0 HB2 GLN A 59 26.776 30.883 -4.581 1.00 52.04 H new ATOM 0 HB3 GLN A 59 27.445 29.446 -5.327 1.00 52.04 H new ATOM 0 HG2 GLN A 59 24.801 30.778 -6.008 1.00 33.10 H new ATOM 0 HG3 GLN A 59 26.255 30.780 -6.986 1.00 33.10 H new ATOM 0 HE21 GLN A 59 23.515 29.821 -7.589 1.00 63.24 H new ATOM 0 HE22 GLN A 59 23.696 28.128 -8.058 1.00 63.24 H new ATOM 925 N ILE A 60 26.591 27.677 -2.187 1.00 73.33 N ATOM 926 CA ILE A 60 27.351 27.326 -0.996 1.00 52.00 C ATOM 927 C ILE A 60 27.856 25.893 -1.089 1.00 62.32 C ATOM 928 O ILE A 60 27.411 25.123 -1.946 1.00 61.30 O ATOM 929 CB ILE A 60 26.499 27.473 0.280 1.00 22.03 C ATOM 930 CG1 ILE A 60 25.131 26.815 0.076 1.00 74.12 C ATOM 931 CG2 ILE A 60 26.350 28.937 0.662 1.00 12.40 C ATOM 932 CD1 ILE A 60 24.189 26.999 1.241 1.00 34.21 C ATOM 0 H ILE A 60 25.992 26.927 -2.532 1.00 73.33 H new ATOM 0 HA ILE A 60 28.195 28.013 -0.938 1.00 52.00 H new ATOM 0 HB ILE A 60 27.006 26.966 1.101 1.00 22.03 H new ATOM 0 HG12 ILE A 60 24.670 27.227 -0.821 1.00 74.12 H new ATOM 0 HG13 ILE A 60 25.273 25.749 -0.100 1.00 74.12 H new ATOM 0 HG21 ILE A 60 25.745 29.018 1.565 1.00 12.40 H new ATOM 0 HG22 ILE A 60 27.335 29.367 0.845 1.00 12.40 H new ATOM 0 HG23 ILE A 60 25.863 29.477 -0.150 1.00 12.40 H new ATOM 0 HD11 ILE A 60 23.241 26.506 1.024 1.00 34.21 H new ATOM 0 HD12 ILE A 60 24.629 26.561 2.137 1.00 34.21 H new ATOM 0 HD13 ILE A 60 24.016 28.063 1.404 1.00 34.21 H new ATOM 944 N ASP A 61 28.773 25.532 -0.204 1.00 74.15 N ATOM 945 CA ASP A 61 29.356 24.199 -0.210 1.00 11.11 C ATOM 946 C ASP A 61 28.590 23.268 0.719 1.00 32.54 C ATOM 947 O ASP A 61 28.929 23.131 1.893 1.00 44.33 O ATOM 948 CB ASP A 61 30.830 24.240 0.210 1.00 43.43 C ATOM 949 CG ASP A 61 31.664 25.166 -0.652 1.00 44.22 C ATOM 950 OD1 ASP A 61 32.168 24.720 -1.704 1.00 63.43 O ATOM 951 OD2 ASP A 61 31.826 26.345 -0.276 1.00 51.15 O ATOM 0 H ASP A 61 29.130 26.145 0.529 1.00 74.15 H new ATOM 0 HA ASP A 61 29.290 23.819 -1.229 1.00 11.11 H new ATOM 0 HB2 ASP A 61 30.897 24.561 1.250 1.00 43.43 H new ATOM 0 HB3 ASP A 61 31.245 23.233 0.160 1.00 43.43 H new ATOM 956 N ILE A 62 27.549 22.638 0.197 1.00 1.14 N ATOM 957 CA ILE A 62 26.779 21.677 0.973 1.00 44.54 C ATOM 958 C ILE A 62 27.378 20.289 0.808 1.00 35.03 C ATOM 959 O ILE A 62 27.452 19.511 1.760 1.00 21.22 O ATOM 960 CB ILE A 62 25.289 21.648 0.551 1.00 53.15 C ATOM 961 CG1 ILE A 62 24.644 23.019 0.780 1.00 34.35 C ATOM 962 CG2 ILE A 62 24.532 20.565 1.313 1.00 21.32 C ATOM 963 CD1 ILE A 62 23.148 23.043 0.539 1.00 32.22 C ATOM 0 H ILE A 62 27.218 22.774 -0.758 1.00 1.14 H new ATOM 0 HA ILE A 62 26.824 21.987 2.017 1.00 44.54 H new ATOM 0 HB ILE A 62 25.237 21.413 -0.512 1.00 53.15 H new ATOM 0 HG12 ILE A 62 24.842 23.336 1.804 1.00 34.35 H new ATOM 0 HG13 ILE A 62 25.119 23.747 0.123 1.00 34.35 H new ATOM 0 HG21 ILE A 62 23.488 20.563 1.001 1.00 21.32 H new ATOM 0 HG22 ILE A 62 24.976 19.593 1.101 1.00 21.32 H new ATOM 0 HG23 ILE A 62 24.590 20.765 2.383 1.00 21.32 H new ATOM 0 HD11 ILE A 62 22.766 24.047 0.722 1.00 32.22 H new ATOM 0 HD12 ILE A 62 22.941 22.758 -0.493 1.00 32.22 H new ATOM 0 HD13 ILE A 62 22.659 22.341 1.214 1.00 32.22 H new ATOM 975 N GLY A 63 27.845 20.007 -0.405 1.00 31.43 N ATOM 976 CA GLY A 63 28.399 18.700 -0.716 1.00 52.11 C ATOM 977 C GLY A 63 29.598 18.345 0.143 1.00 31.22 C ATOM 978 O GLY A 63 29.887 17.170 0.359 1.00 14.54 O ATOM 0 H GLY A 63 27.849 20.666 -1.184 1.00 31.43 H new ATOM 0 HA2 GLY A 63 27.626 17.943 -0.582 1.00 52.11 H new ATOM 0 HA3 GLY A 63 28.691 18.676 -1.766 1.00 52.11 H new ATOM 982 N VAL A 64 30.290 19.361 0.636 1.00 13.42 N ATOM 983 CA VAL A 64 31.467 19.153 1.465 1.00 34.32 C ATOM 984 C VAL A 64 31.072 18.842 2.910 1.00 53.31 C ATOM 985 O VAL A 64 31.621 17.939 3.531 1.00 3.43 O ATOM 986 CB VAL A 64 32.391 20.389 1.443 1.00 54.13 C ATOM 987 CG1 VAL A 64 33.670 20.125 2.224 1.00 30.14 C ATOM 988 CG2 VAL A 64 32.711 20.797 0.012 1.00 21.11 C ATOM 0 H VAL A 64 30.056 20.341 0.476 1.00 13.42 H new ATOM 0 HA VAL A 64 32.006 18.301 1.051 1.00 34.32 H new ATOM 0 HB VAL A 64 31.864 21.213 1.924 1.00 54.13 H new ATOM 0 HG11 VAL A 64 34.304 21.011 2.194 1.00 30.14 H new ATOM 0 HG12 VAL A 64 33.422 19.891 3.259 1.00 30.14 H new ATOM 0 HG13 VAL A 64 34.201 19.283 1.779 1.00 30.14 H new ATOM 0 HG21 VAL A 64 33.363 21.670 0.020 1.00 21.11 H new ATOM 0 HG22 VAL A 64 33.212 19.974 -0.498 1.00 21.11 H new ATOM 0 HG23 VAL A 64 31.787 21.039 -0.513 1.00 21.11 H new ATOM 998 N VAL A 65 30.092 19.575 3.422 1.00 25.53 N ATOM 999 CA VAL A 65 29.684 19.444 4.819 1.00 41.35 C ATOM 1000 C VAL A 65 28.977 18.111 5.073 1.00 15.00 C ATOM 1001 O VAL A 65 29.056 17.553 6.166 1.00 61.02 O ATOM 1002 CB VAL A 65 28.766 20.618 5.237 1.00 41.42 C ATOM 1003 CG1 VAL A 65 28.413 20.544 6.714 1.00 52.00 C ATOM 1004 CG2 VAL A 65 29.430 21.948 4.919 1.00 63.33 C ATOM 0 H VAL A 65 29.563 20.268 2.892 1.00 25.53 H new ATOM 0 HA VAL A 65 30.589 19.471 5.426 1.00 41.35 H new ATOM 0 HB VAL A 65 27.841 20.539 4.666 1.00 41.42 H new ATOM 0 HG11 VAL A 65 27.767 21.382 6.976 1.00 52.00 H new ATOM 0 HG12 VAL A 65 27.893 19.608 6.917 1.00 52.00 H new ATOM 0 HG13 VAL A 65 29.325 20.589 7.309 1.00 52.00 H new ATOM 0 HG21 VAL A 65 28.772 22.764 5.219 1.00 63.33 H new ATOM 0 HG22 VAL A 65 30.372 22.023 5.462 1.00 63.33 H new ATOM 0 HG23 VAL A 65 29.622 22.012 3.848 1.00 63.33 H new ATOM 1014 N ILE A 66 28.298 17.594 4.057 1.00 60.32 N ATOM 1015 CA ILE A 66 27.580 16.330 4.192 1.00 21.23 C ATOM 1016 C ILE A 66 28.521 15.136 4.061 1.00 32.33 C ATOM 1017 O ILE A 66 28.228 14.042 4.546 1.00 44.40 O ATOM 1018 CB ILE A 66 26.451 16.209 3.153 1.00 4.44 C ATOM 1019 CG1 ILE A 66 27.016 16.288 1.733 1.00 1.10 C ATOM 1020 CG2 ILE A 66 25.417 17.299 3.383 1.00 30.33 C ATOM 1021 CD1 ILE A 66 25.960 16.231 0.652 1.00 22.24 C ATOM 0 H ILE A 66 28.228 18.026 3.136 1.00 60.32 H new ATOM 0 HA ILE A 66 27.142 16.325 5.190 1.00 21.23 H new ATOM 0 HB ILE A 66 25.967 15.239 3.269 1.00 4.44 H new ATOM 0 HG12 ILE A 66 27.581 17.214 1.628 1.00 1.10 H new ATOM 0 HG13 ILE A 66 27.719 15.468 1.585 1.00 1.10 H new ATOM 0 HG21 ILE A 66 24.621 17.207 2.644 1.00 30.33 H new ATOM 0 HG22 ILE A 66 24.997 17.197 4.384 1.00 30.33 H new ATOM 0 HG23 ILE A 66 25.891 18.276 3.287 1.00 30.33 H new ATOM 0 HD11 ILE A 66 26.437 16.292 -0.326 1.00 22.24 H new ATOM 0 HD12 ILE A 66 25.410 15.293 0.729 1.00 22.24 H new ATOM 0 HD13 ILE A 66 25.271 17.067 0.772 1.00 22.24 H new ATOM 1033 N THR A 67 29.649 15.341 3.402 1.00 14.14 N ATOM 1034 CA THR A 67 30.624 14.277 3.237 1.00 50.13 C ATOM 1035 C THR A 67 31.696 14.371 4.318 1.00 71.42 C ATOM 1036 O THR A 67 32.399 13.402 4.607 1.00 32.31 O ATOM 1037 CB THR A 67 31.265 14.316 1.837 1.00 41.24 C ATOM 1038 OG1 THR A 67 31.732 15.638 1.545 1.00 22.32 O ATOM 1039 CG2 THR A 67 30.263 13.878 0.775 1.00 74.34 C ATOM 0 H THR A 67 29.911 16.229 2.975 1.00 14.14 H new ATOM 0 HA THR A 67 30.104 13.325 3.338 1.00 50.13 H new ATOM 0 HB THR A 67 32.109 13.627 1.828 1.00 41.24 H new ATOM 0 HG1 THR A 67 30.970 16.213 1.323 1.00 22.32 H new ATOM 0 HG21 THR A 67 30.735 13.912 -0.207 1.00 74.34 H new ATOM 0 HG22 THR A 67 29.933 12.860 0.984 1.00 74.34 H new ATOM 0 HG23 THR A 67 29.403 14.548 0.788 1.00 74.34 H new ATOM 1047 N HIS A 68 31.794 15.547 4.919 1.00 62.10 N ATOM 1048 CA HIS A 68 32.679 15.778 6.047 1.00 75.44 C ATOM 1049 C HIS A 68 32.076 16.842 6.951 1.00 63.13 C ATOM 1050 O HIS A 68 32.242 18.039 6.714 1.00 34.35 O ATOM 1051 CB HIS A 68 34.075 16.209 5.580 1.00 73.14 C ATOM 1052 CG HIS A 68 35.035 16.433 6.710 1.00 52.01 C ATOM 1053 ND1 HIS A 68 35.433 17.687 7.133 1.00 65.54 N ATOM 1054 CD2 HIS A 68 35.663 15.551 7.524 1.00 52.12 C ATOM 1055 CE1 HIS A 68 36.257 17.562 8.156 1.00 12.54 C ATOM 1056 NE2 HIS A 68 36.413 16.278 8.411 1.00 54.52 N ATOM 0 H HIS A 68 31.260 16.369 4.636 1.00 62.10 H new ATOM 0 HA HIS A 68 32.788 14.845 6.600 1.00 75.44 H new ATOM 0 HB2 HIS A 68 34.479 15.446 4.914 1.00 73.14 H new ATOM 0 HB3 HIS A 68 33.989 17.127 4.998 1.00 73.14 H new ATOM 0 HD2 HIS A 68 35.587 14.475 7.482 1.00 52.12 H new ATOM 0 HE1 HIS A 68 36.724 18.374 8.693 1.00 12.54 H new ATOM 0 HE2 HIS A 68 36.998 15.888 9.150 1.00 54.52 H new ATOM 1065 N PHE A 69 31.356 16.395 7.967 1.00 30.31 N ATOM 1066 CA PHE A 69 30.686 17.301 8.888 1.00 22.22 C ATOM 1067 C PHE A 69 31.690 18.146 9.656 1.00 3.34 C ATOM 1068 O PHE A 69 32.677 17.633 10.185 1.00 14.12 O ATOM 1069 CB PHE A 69 29.806 16.519 9.864 1.00 5.11 C ATOM 1070 CG PHE A 69 28.564 15.951 9.238 1.00 12.44 C ATOM 1071 CD1 PHE A 69 28.593 14.730 8.584 1.00 70.53 C ATOM 1072 CD2 PHE A 69 27.365 16.641 9.307 1.00 75.14 C ATOM 1073 CE1 PHE A 69 27.448 14.208 8.010 1.00 1.20 C ATOM 1074 CE2 PHE A 69 26.219 16.126 8.736 1.00 11.41 C ATOM 1075 CZ PHE A 69 26.259 14.908 8.087 1.00 61.22 C ATOM 0 H PHE A 69 31.220 15.406 8.176 1.00 30.31 H new ATOM 0 HA PHE A 69 30.057 17.968 8.299 1.00 22.22 H new ATOM 0 HB2 PHE A 69 30.390 15.705 10.293 1.00 5.11 H new ATOM 0 HB3 PHE A 69 29.520 17.175 10.686 1.00 5.11 H new ATOM 0 HD1 PHE A 69 29.520 14.180 8.522 1.00 70.53 H new ATOM 0 HD2 PHE A 69 27.326 17.594 9.814 1.00 75.14 H new ATOM 0 HE1 PHE A 69 27.483 13.255 7.503 1.00 1.20 H new ATOM 0 HE2 PHE A 69 25.291 16.676 8.797 1.00 11.41 H new ATOM 0 HZ PHE A 69 25.363 14.503 7.640 1.00 61.22 H new ATOM 1085 N THR A 70 31.436 19.445 9.693 1.00 73.34 N ATOM 1086 CA THR A 70 32.253 20.365 10.460 1.00 1.43 C ATOM 1087 C THR A 70 32.008 20.175 11.958 1.00 12.24 C ATOM 1088 O THR A 70 31.178 19.355 12.359 1.00 70.15 O ATOM 1089 CB THR A 70 31.966 21.819 10.042 1.00 44.13 C ATOM 1090 OG1 THR A 70 30.567 21.983 9.782 1.00 53.25 O ATOM 1091 CG2 THR A 70 32.760 22.193 8.799 1.00 54.12 C ATOM 0 H THR A 70 30.663 19.886 9.195 1.00 73.34 H new ATOM 0 HA THR A 70 33.302 20.151 10.254 1.00 1.43 H new ATOM 0 HB THR A 70 32.268 22.475 10.859 1.00 44.13 H new ATOM 0 HG1 THR A 70 30.050 21.483 10.447 1.00 53.25 H new ATOM 0 HG21 THR A 70 32.540 23.224 8.524 1.00 54.12 H new ATOM 0 HG22 THR A 70 33.826 22.091 9.004 1.00 54.12 H new ATOM 0 HG23 THR A 70 32.484 21.531 7.978 1.00 54.12 H new ATOM 1099 N ASP A 71 32.725 20.917 12.787 1.00 4.40 N ATOM 1100 CA ASP A 71 32.660 20.703 14.228 1.00 51.42 C ATOM 1101 C ASP A 71 31.645 21.621 14.895 1.00 70.43 C ATOM 1102 O ASP A 71 30.813 21.165 15.682 1.00 25.34 O ATOM 1103 CB ASP A 71 34.042 20.882 14.863 1.00 3.12 C ATOM 1104 CG ASP A 71 35.012 19.794 14.443 1.00 32.33 C ATOM 1105 OD1 ASP A 71 34.680 18.599 14.615 1.00 43.24 O ATOM 1106 OD2 ASP A 71 36.101 20.122 13.927 1.00 55.22 O ATOM 0 H ASP A 71 33.353 21.665 12.494 1.00 4.40 H new ATOM 0 HA ASP A 71 32.328 19.677 14.388 1.00 51.42 H new ATOM 0 HB2 ASP A 71 34.446 21.855 14.582 1.00 3.12 H new ATOM 0 HB3 ASP A 71 33.944 20.880 15.949 1.00 3.12 H new ATOM 1111 N GLU A 72 31.701 22.906 14.579 1.00 53.51 N ATOM 1112 CA GLU A 72 30.813 23.876 15.210 1.00 25.43 C ATOM 1113 C GLU A 72 29.585 24.133 14.337 1.00 33.41 C ATOM 1114 O GLU A 72 28.664 24.858 14.723 1.00 73.40 O ATOM 1115 CB GLU A 72 31.564 25.186 15.473 1.00 22.45 C ATOM 1116 CG GLU A 72 30.819 26.142 16.392 1.00 12.13 C ATOM 1117 CD GLU A 72 30.512 25.523 17.740 1.00 21.13 C ATOM 1118 OE1 GLU A 72 31.390 25.555 18.624 1.00 21.12 O ATOM 1119 OE2 GLU A 72 29.390 25.003 17.922 1.00 34.31 O ATOM 0 H GLU A 72 32.346 23.301 13.895 1.00 53.51 H new ATOM 0 HA GLU A 72 30.475 23.467 16.162 1.00 25.43 H new ATOM 0 HB2 GLU A 72 32.535 24.956 15.912 1.00 22.45 H new ATOM 0 HB3 GLU A 72 31.754 25.683 14.522 1.00 22.45 H new ATOM 0 HG2 GLU A 72 31.416 27.043 16.536 1.00 12.13 H new ATOM 0 HG3 GLU A 72 29.888 26.449 15.915 1.00 12.13 H new ATOM 1126 N LEU A 73 29.567 23.518 13.170 1.00 73.25 N ATOM 1127 CA LEU A 73 28.486 23.716 12.220 1.00 13.42 C ATOM 1128 C LEU A 73 27.981 22.355 11.743 1.00 3.21 C ATOM 1129 O LEU A 73 28.773 21.420 11.616 1.00 21.12 O ATOM 1130 CB LEU A 73 29.000 24.559 11.043 1.00 45.25 C ATOM 1131 CG LEU A 73 27.938 25.342 10.270 1.00 34.40 C ATOM 1132 CD1 LEU A 73 27.247 26.350 11.177 1.00 1.43 C ATOM 1133 CD2 LEU A 73 28.571 26.052 9.084 1.00 14.24 C ATOM 0 H LEU A 73 30.292 22.874 12.855 1.00 73.25 H new ATOM 0 HA LEU A 73 27.657 24.246 12.690 1.00 13.42 H new ATOM 0 HB2 LEU A 73 29.740 25.264 11.422 1.00 45.25 H new ATOM 0 HB3 LEU A 73 29.516 23.899 10.346 1.00 45.25 H new ATOM 0 HG LEU A 73 27.190 24.639 9.904 1.00 34.40 H new ATOM 0 HD11 LEU A 73 26.495 26.896 10.607 1.00 1.43 H new ATOM 0 HD12 LEU A 73 26.766 25.826 12.003 1.00 1.43 H new ATOM 0 HD13 LEU A 73 27.984 27.050 11.571 1.00 1.43 H new ATOM 0 HD21 LEU A 73 27.806 26.606 8.541 1.00 14.24 H new ATOM 0 HD22 LEU A 73 29.336 26.743 9.439 1.00 14.24 H new ATOM 0 HD23 LEU A 73 29.026 25.317 8.420 1.00 14.24 H new ATOM 1145 N PRO A 74 26.667 22.198 11.487 1.00 15.30 N ATOM 1146 CA PRO A 74 25.673 23.277 11.601 1.00 74.21 C ATOM 1147 C PRO A 74 25.379 23.667 13.052 1.00 3.21 C ATOM 1148 O PRO A 74 25.773 22.971 13.989 1.00 20.44 O ATOM 1149 CB PRO A 74 24.431 22.677 10.941 1.00 52.45 C ATOM 1150 CG PRO A 74 24.575 21.211 11.133 1.00 33.51 C ATOM 1151 CD PRO A 74 26.049 20.928 11.067 1.00 1.34 C ATOM 0 HA PRO A 74 26.021 24.199 11.136 1.00 74.21 H new ATOM 0 HB2 PRO A 74 23.517 23.049 11.404 1.00 52.45 H new ATOM 0 HB3 PRO A 74 24.381 22.935 9.883 1.00 52.45 H new ATOM 0 HG2 PRO A 74 24.161 20.900 12.092 1.00 33.51 H new ATOM 0 HG3 PRO A 74 24.037 20.662 10.360 1.00 33.51 H new ATOM 0 HD2 PRO A 74 26.329 20.108 11.728 1.00 1.34 H new ATOM 0 HD3 PRO A 74 26.358 20.646 10.061 1.00 1.34 H new ATOM 1159 N SER A 75 24.685 24.781 13.224 1.00 34.34 N ATOM 1160 CA SER A 75 24.431 25.329 14.546 1.00 31.40 C ATOM 1161 C SER A 75 23.066 24.894 15.093 1.00 52.02 C ATOM 1162 O SER A 75 22.061 24.892 14.372 1.00 0.30 O ATOM 1163 CB SER A 75 24.547 26.852 14.487 1.00 31.21 C ATOM 1164 OG SER A 75 24.131 27.341 13.222 1.00 22.13 O ATOM 0 H SER A 75 24.286 25.326 12.460 1.00 34.34 H new ATOM 0 HA SER A 75 25.178 24.937 15.237 1.00 31.40 H new ATOM 0 HB2 SER A 75 23.937 27.298 15.273 1.00 31.21 H new ATOM 0 HB3 SER A 75 25.578 27.150 14.676 1.00 31.21 H new ATOM 0 HG SER A 75 23.661 28.193 13.339 1.00 22.13 H new ATOM 1170 N PRO A 76 23.029 24.511 16.385 1.00 45.34 N ATOM 1171 CA PRO A 76 21.819 24.012 17.057 1.00 5.21 C ATOM 1172 C PRO A 76 20.617 24.949 16.945 1.00 44.52 C ATOM 1173 O PRO A 76 19.490 24.501 16.726 1.00 51.42 O ATOM 1174 CB PRO A 76 22.251 23.886 18.519 1.00 72.21 C ATOM 1175 CG PRO A 76 23.723 23.701 18.464 1.00 41.55 C ATOM 1176 CD PRO A 76 24.193 24.515 17.292 1.00 65.15 C ATOM 0 HA PRO A 76 21.479 23.082 16.602 1.00 5.21 H new ATOM 0 HB2 PRO A 76 21.985 24.777 19.088 1.00 72.21 H new ATOM 0 HB3 PRO A 76 21.764 23.040 19.004 1.00 72.21 H new ATOM 0 HG2 PRO A 76 24.194 24.037 19.388 1.00 41.55 H new ATOM 0 HG3 PRO A 76 23.981 22.649 18.339 1.00 41.55 H new ATOM 0 HD2 PRO A 76 24.467 25.527 17.590 1.00 65.15 H new ATOM 0 HD3 PRO A 76 25.071 24.072 16.821 1.00 65.15 H new ATOM 1184 N GLU A 77 20.846 26.245 17.092 1.00 41.22 N ATOM 1185 CA GLU A 77 19.751 27.205 17.035 1.00 22.44 C ATOM 1186 C GLU A 77 19.142 27.247 15.638 1.00 43.15 C ATOM 1187 O GLU A 77 17.928 27.377 15.484 1.00 12.42 O ATOM 1188 CB GLU A 77 20.224 28.597 17.449 1.00 61.33 C ATOM 1189 CG GLU A 77 20.737 28.654 18.876 1.00 22.41 C ATOM 1190 CD GLU A 77 21.112 30.055 19.307 1.00 43.51 C ATOM 1191 OE1 GLU A 77 22.228 30.502 18.979 1.00 3.44 O ATOM 1192 OE2 GLU A 77 20.291 30.712 19.984 1.00 23.01 O ATOM 0 H GLU A 77 21.767 26.654 17.250 1.00 41.22 H new ATOM 0 HA GLU A 77 18.984 26.880 17.738 1.00 22.44 H new ATOM 0 HB2 GLU A 77 21.015 28.921 16.772 1.00 61.33 H new ATOM 0 HB3 GLU A 77 19.400 29.302 17.337 1.00 61.33 H new ATOM 0 HG2 GLU A 77 19.973 28.264 19.548 1.00 22.41 H new ATOM 0 HG3 GLU A 77 21.607 28.004 18.971 1.00 22.41 H new ATOM 1199 N ASP A 78 19.990 27.118 14.625 1.00 64.10 N ATOM 1200 CA ASP A 78 19.539 27.161 13.239 1.00 20.24 C ATOM 1201 C ASP A 78 18.803 25.880 12.852 1.00 23.41 C ATOM 1202 O ASP A 78 17.783 25.935 12.168 1.00 70.25 O ATOM 1203 CB ASP A 78 20.712 27.415 12.291 1.00 74.32 C ATOM 1204 CG ASP A 78 21.325 28.785 12.500 1.00 33.44 C ATOM 1205 OD1 ASP A 78 22.132 28.940 13.441 1.00 54.10 O ATOM 1206 OD2 ASP A 78 21.004 29.719 11.737 1.00 35.31 O ATOM 0 H ASP A 78 20.995 26.983 14.737 1.00 64.10 H new ATOM 0 HA ASP A 78 18.837 27.990 13.148 1.00 20.24 H new ATOM 0 HB2 ASP A 78 21.473 26.650 12.444 1.00 74.32 H new ATOM 0 HB3 ASP A 78 20.371 27.324 11.260 1.00 74.32 H new ATOM 1211 N VAL A 79 19.305 24.725 13.295 1.00 70.42 N ATOM 1212 CA VAL A 79 18.625 23.460 13.008 1.00 65.40 C ATOM 1213 C VAL A 79 17.263 23.411 13.693 1.00 5.45 C ATOM 1214 O VAL A 79 16.277 22.951 13.112 1.00 24.20 O ATOM 1215 CB VAL A 79 19.456 22.214 13.401 1.00 45.54 C ATOM 1216 CG1 VAL A 79 20.691 22.090 12.524 1.00 25.41 C ATOM 1217 CG2 VAL A 79 19.854 22.233 14.865 1.00 2.33 C ATOM 0 H VAL A 79 20.161 24.639 13.842 1.00 70.42 H new ATOM 0 HA VAL A 79 18.495 23.428 11.926 1.00 65.40 H new ATOM 0 HB VAL A 79 18.819 21.344 13.242 1.00 45.54 H new ATOM 0 HG11 VAL A 79 21.259 21.208 12.818 1.00 25.41 H new ATOM 0 HG12 VAL A 79 20.389 21.996 11.481 1.00 25.41 H new ATOM 0 HG13 VAL A 79 21.312 22.978 12.643 1.00 25.41 H new ATOM 0 HG21 VAL A 79 20.435 21.340 15.096 1.00 2.33 H new ATOM 0 HG22 VAL A 79 20.455 23.120 15.067 1.00 2.33 H new ATOM 0 HG23 VAL A 79 18.958 22.253 15.485 1.00 2.33 H new ATOM 1227 N GLU A 80 17.217 23.888 14.927 1.00 62.32 N ATOM 1228 CA GLU A 80 15.957 24.044 15.647 1.00 15.51 C ATOM 1229 C GLU A 80 15.008 24.939 14.848 1.00 42.51 C ATOM 1230 O GLU A 80 13.832 24.605 14.644 1.00 73.11 O ATOM 1231 CB GLU A 80 16.218 24.646 17.030 1.00 72.14 C ATOM 1232 CG GLU A 80 14.979 24.752 17.905 1.00 41.52 C ATOM 1233 CD GLU A 80 15.272 25.410 19.238 1.00 51.12 C ATOM 1234 OE1 GLU A 80 15.744 24.714 20.162 1.00 11.14 O ATOM 1235 OE2 GLU A 80 15.031 26.627 19.369 1.00 23.22 O ATOM 0 H GLU A 80 18.041 24.176 15.455 1.00 62.32 H new ATOM 0 HA GLU A 80 15.493 23.066 15.773 1.00 15.51 H new ATOM 0 HB2 GLU A 80 16.962 24.038 17.545 1.00 72.14 H new ATOM 0 HB3 GLU A 80 16.649 25.640 16.906 1.00 72.14 H new ATOM 0 HG2 GLU A 80 14.214 25.324 17.380 1.00 41.52 H new ATOM 0 HG3 GLU A 80 14.571 23.756 18.076 1.00 41.52 H new ATOM 1242 N ARG A 81 15.543 26.061 14.377 1.00 50.40 N ATOM 1243 CA ARG A 81 14.782 27.008 13.574 1.00 73.35 C ATOM 1244 C ARG A 81 14.222 26.352 12.319 1.00 24.52 C ATOM 1245 O ARG A 81 13.017 26.395 12.087 1.00 72.03 O ATOM 1246 CB ARG A 81 15.651 28.203 13.188 1.00 51.11 C ATOM 1247 CG ARG A 81 15.004 29.117 12.159 1.00 33.12 C ATOM 1248 CD ARG A 81 15.805 30.389 11.967 1.00 12.04 C ATOM 1249 NE ARG A 81 15.839 31.185 13.190 1.00 54.21 N ATOM 1250 CZ ARG A 81 16.937 31.742 13.688 1.00 1.12 C ATOM 1251 NH1 ARG A 81 18.100 31.612 13.057 1.00 25.34 N ATOM 1252 NH2 ARG A 81 16.868 32.436 14.814 1.00 65.00 N ATOM 0 H ARG A 81 16.511 26.337 14.541 1.00 50.40 H new ATOM 0 HA ARG A 81 13.945 27.353 14.181 1.00 73.35 H new ATOM 0 HB2 ARG A 81 15.878 28.781 14.084 1.00 51.11 H new ATOM 0 HB3 ARG A 81 16.600 27.840 12.794 1.00 51.11 H new ATOM 0 HG2 ARG A 81 14.918 28.592 11.207 1.00 33.12 H new ATOM 0 HG3 ARG A 81 13.992 29.367 12.478 1.00 33.12 H new ATOM 0 HD2 ARG A 81 16.822 30.139 11.665 1.00 12.04 H new ATOM 0 HD3 ARG A 81 15.369 30.977 11.160 1.00 12.04 H new ATOM 0 HE ARG A 81 14.963 31.322 13.695 1.00 54.21 H new ATOM 0 HH11 ARG A 81 18.152 31.083 12.187 1.00 25.34 H new ATOM 0 HH12 ARG A 81 18.941 32.042 13.443 1.00 25.34 H new ATOM 0 HH21 ARG A 81 15.974 32.541 15.295 1.00 65.00 H new ATOM 0 HH22 ARG A 81 17.708 32.866 15.201 1.00 65.00 H new ATOM 1266 N VAL A 82 15.090 25.743 11.517 1.00 32.54 N ATOM 1267 CA VAL A 82 14.665 25.148 10.254 1.00 71.44 C ATOM 1268 C VAL A 82 13.639 24.040 10.501 1.00 64.30 C ATOM 1269 O VAL A 82 12.715 23.847 9.708 1.00 33.50 O ATOM 1270 CB VAL A 82 15.863 24.599 9.438 1.00 10.34 C ATOM 1271 CG1 VAL A 82 16.316 23.236 9.941 1.00 44.34 C ATOM 1272 CG2 VAL A 82 15.523 24.539 7.960 1.00 23.43 C ATOM 0 H VAL A 82 16.086 25.649 11.717 1.00 32.54 H new ATOM 0 HA VAL A 82 14.201 25.939 9.664 1.00 71.44 H new ATOM 0 HB VAL A 82 16.695 25.290 9.577 1.00 10.34 H new ATOM 0 HG11 VAL A 82 17.157 22.888 9.342 1.00 44.34 H new ATOM 0 HG12 VAL A 82 16.622 23.316 10.984 1.00 44.34 H new ATOM 0 HG13 VAL A 82 15.493 22.526 9.858 1.00 44.34 H new ATOM 0 HG21 VAL A 82 16.377 24.151 7.406 1.00 23.43 H new ATOM 0 HG22 VAL A 82 14.665 23.883 7.810 1.00 23.43 H new ATOM 0 HG23 VAL A 82 15.282 25.540 7.601 1.00 23.43 H new ATOM 1282 N ARG A 83 13.796 23.334 11.620 1.00 12.43 N ATOM 1283 CA ARG A 83 12.852 22.303 12.016 1.00 22.25 C ATOM 1284 C ARG A 83 11.479 22.926 12.253 1.00 63.13 C ATOM 1285 O ARG A 83 10.465 22.416 11.781 1.00 31.24 O ATOM 1286 CB ARG A 83 13.372 21.579 13.272 1.00 63.22 C ATOM 1287 CG ARG A 83 12.507 20.426 13.767 1.00 61.31 C ATOM 1288 CD ARG A 83 11.374 20.905 14.661 1.00 74.43 C ATOM 1289 NE ARG A 83 11.859 21.740 15.759 1.00 41.44 N ATOM 1290 CZ ARG A 83 11.223 21.892 16.920 1.00 73.12 C ATOM 1291 NH1 ARG A 83 10.134 21.180 17.189 1.00 20.14 N ATOM 1292 NH2 ARG A 83 11.700 22.735 17.827 1.00 15.30 N ATOM 0 H ARG A 83 14.574 23.462 12.268 1.00 12.43 H new ATOM 0 HA ARG A 83 12.752 21.565 11.220 1.00 22.25 H new ATOM 0 HB2 ARG A 83 14.371 21.197 13.063 1.00 63.22 H new ATOM 0 HB3 ARG A 83 13.471 22.308 14.076 1.00 63.22 H new ATOM 0 HG2 ARG A 83 12.093 19.891 12.912 1.00 61.31 H new ATOM 0 HG3 ARG A 83 13.127 19.718 14.316 1.00 61.31 H new ATOM 0 HD2 ARG A 83 10.656 21.470 14.066 1.00 74.43 H new ATOM 0 HD3 ARG A 83 10.844 20.044 15.067 1.00 74.43 H new ATOM 0 HE ARG A 83 12.740 22.238 15.628 1.00 41.44 H new ATOM 0 HH11 ARG A 83 9.780 20.512 16.505 1.00 20.14 H new ATOM 0 HH12 ARG A 83 9.652 21.302 18.080 1.00 20.14 H new ATOM 0 HH21 ARG A 83 12.551 23.264 17.634 1.00 15.30 H new ATOM 0 HH22 ARG A 83 11.216 22.854 18.717 1.00 15.30 H new ATOM 1306 N ALA A 84 11.456 24.043 12.971 1.00 12.14 N ATOM 1307 CA ALA A 84 10.211 24.768 13.206 1.00 60.24 C ATOM 1308 C ALA A 84 9.677 25.369 11.905 1.00 70.42 C ATOM 1309 O ALA A 84 8.480 25.310 11.628 1.00 23.24 O ATOM 1310 CB ALA A 84 10.422 25.857 14.247 1.00 63.52 C ATOM 0 H ALA A 84 12.280 24.465 13.399 1.00 12.14 H new ATOM 0 HA ALA A 84 9.471 24.063 13.583 1.00 60.24 H new ATOM 0 HB1 ALA A 84 9.485 26.389 14.412 1.00 63.52 H new ATOM 0 HB2 ALA A 84 10.753 25.407 15.183 1.00 63.52 H new ATOM 0 HB3 ALA A 84 11.179 26.557 13.893 1.00 63.52 H new ATOM 1316 N ARG A 85 10.581 25.927 11.110 1.00 4.11 N ATOM 1317 CA ARG A 85 10.233 26.568 9.842 1.00 74.14 C ATOM 1318 C ARG A 85 9.512 25.606 8.900 1.00 31.20 C ATOM 1319 O ARG A 85 8.418 25.897 8.418 1.00 12.24 O ATOM 1320 CB ARG A 85 11.500 27.095 9.165 1.00 14.31 C ATOM 1321 CG ARG A 85 12.085 28.334 9.823 1.00 15.44 C ATOM 1322 CD ARG A 85 11.423 29.599 9.310 1.00 12.24 C ATOM 1323 NE ARG A 85 11.908 30.802 9.990 1.00 30.11 N ATOM 1324 CZ ARG A 85 13.002 31.480 9.637 1.00 74.23 C ATOM 1325 NH1 ARG A 85 13.828 31.004 8.715 1.00 74.02 N ATOM 1326 NH2 ARG A 85 13.291 32.623 10.245 1.00 62.23 N ATOM 0 H ARG A 85 11.578 25.950 11.324 1.00 4.11 H new ATOM 0 HA ARG A 85 9.556 27.393 10.061 1.00 74.14 H new ATOM 0 HB2 ARG A 85 12.253 26.307 9.164 1.00 14.31 H new ATOM 0 HB3 ARG A 85 11.275 27.322 8.123 1.00 14.31 H new ATOM 0 HG2 ARG A 85 11.958 28.268 10.904 1.00 15.44 H new ATOM 0 HG3 ARG A 85 13.157 28.379 9.630 1.00 15.44 H new ATOM 0 HD2 ARG A 85 11.606 29.692 8.239 1.00 12.24 H new ATOM 0 HD3 ARG A 85 10.344 29.520 9.444 1.00 12.24 H new ATOM 0 HE ARG A 85 11.373 31.145 10.788 1.00 30.11 H new ATOM 0 HH11 ARG A 85 13.631 30.109 8.266 1.00 74.02 H new ATOM 0 HH12 ARG A 85 14.661 31.532 8.455 1.00 74.02 H new ATOM 0 HH21 ARG A 85 12.678 32.980 10.978 1.00 62.23 H new ATOM 0 HH22 ARG A 85 14.126 33.145 9.979 1.00 62.23 H new ATOM 1340 N LEU A 86 10.132 24.461 8.647 1.00 63.41 N ATOM 1341 CA LEU A 86 9.595 23.487 7.703 1.00 3.23 C ATOM 1342 C LEU A 86 8.334 22.818 8.240 1.00 51.33 C ATOM 1343 O LEU A 86 7.478 22.390 7.468 1.00 11.12 O ATOM 1344 CB LEU A 86 10.650 22.426 7.366 1.00 64.25 C ATOM 1345 CG LEU A 86 11.624 22.785 6.232 1.00 51.31 C ATOM 1346 CD1 LEU A 86 10.900 22.812 4.893 1.00 63.43 C ATOM 1347 CD2 LEU A 86 12.298 24.124 6.485 1.00 3.31 C ATOM 0 H LEU A 86 11.011 24.182 9.084 1.00 63.41 H new ATOM 0 HA LEU A 86 9.328 24.026 6.794 1.00 3.23 H new ATOM 0 HB2 LEU A 86 11.230 22.220 8.265 1.00 64.25 H new ATOM 0 HB3 LEU A 86 10.136 21.502 7.099 1.00 64.25 H new ATOM 0 HG LEU A 86 12.395 22.015 6.204 1.00 51.31 H new ATOM 0 HD11 LEU A 86 11.606 23.068 4.103 1.00 63.43 H new ATOM 0 HD12 LEU A 86 10.470 21.831 4.692 1.00 63.43 H new ATOM 0 HD13 LEU A 86 10.105 23.557 4.924 1.00 63.43 H new ATOM 0 HD21 LEU A 86 12.980 24.349 5.665 1.00 3.31 H new ATOM 0 HD22 LEU A 86 11.541 24.906 6.552 1.00 3.31 H new ATOM 0 HD23 LEU A 86 12.857 24.079 7.420 1.00 3.31 H new ATOM 1359 N ALA A 87 8.216 22.756 9.565 1.00 64.31 N ATOM 1360 CA ALA A 87 7.071 22.113 10.210 1.00 55.30 C ATOM 1361 C ALA A 87 5.753 22.794 9.844 1.00 40.51 C ATOM 1362 O ALA A 87 4.691 22.174 9.897 1.00 60.31 O ATOM 1363 CB ALA A 87 7.255 22.106 11.721 1.00 2.20 C ATOM 0 H ALA A 87 8.900 23.144 10.215 1.00 64.31 H new ATOM 0 HA ALA A 87 7.023 21.087 9.846 1.00 55.30 H new ATOM 0 HB1 ALA A 87 6.397 21.625 12.190 1.00 2.20 H new ATOM 0 HB2 ALA A 87 8.162 21.557 11.975 1.00 2.20 H new ATOM 0 HB3 ALA A 87 7.338 23.131 12.082 1.00 2.20 H new ATOM 1369 N ALA A 88 5.826 24.066 9.465 1.00 12.20 N ATOM 1370 CA ALA A 88 4.638 24.822 9.085 1.00 35.54 C ATOM 1371 C ALA A 88 4.102 24.351 7.735 1.00 70.35 C ATOM 1372 O ALA A 88 2.908 24.463 7.452 1.00 34.21 O ATOM 1373 CB ALA A 88 4.946 26.313 9.050 1.00 1.20 C ATOM 0 H ALA A 88 6.696 24.595 9.413 1.00 12.20 H new ATOM 0 HA ALA A 88 3.866 24.646 9.834 1.00 35.54 H new ATOM 0 HB1 ALA A 88 4.049 26.863 8.765 1.00 1.20 H new ATOM 0 HB2 ALA A 88 5.274 26.640 10.037 1.00 1.20 H new ATOM 0 HB3 ALA A 88 5.736 26.504 8.323 1.00 1.20 H new ATOM 1379 N GLN A 89 4.988 23.812 6.905 1.00 43.22 N ATOM 1380 CA GLN A 89 4.604 23.310 5.590 1.00 34.15 C ATOM 1381 C GLN A 89 4.190 21.849 5.689 1.00 43.51 C ATOM 1382 O GLN A 89 3.332 21.375 4.940 1.00 25.11 O ATOM 1383 CB GLN A 89 5.760 23.448 4.587 1.00 71.20 C ATOM 1384 CG GLN A 89 6.039 24.874 4.117 1.00 64.44 C ATOM 1385 CD GLN A 89 6.403 25.820 5.245 1.00 71.20 C ATOM 1386 OE1 GLN A 89 5.545 26.503 5.801 1.00 75.44 O ATOM 1387 NE2 GLN A 89 7.676 25.850 5.606 1.00 62.23 N ATOM 0 H GLN A 89 5.980 23.711 7.120 1.00 43.22 H new ATOM 0 HA GLN A 89 3.763 23.905 5.235 1.00 34.15 H new ATOM 0 HB2 GLN A 89 6.666 23.048 5.042 1.00 71.20 H new ATOM 0 HB3 GLN A 89 5.541 22.830 3.716 1.00 71.20 H new ATOM 0 HG2 GLN A 89 6.852 24.857 3.391 1.00 64.44 H new ATOM 0 HG3 GLN A 89 5.159 25.257 3.601 1.00 64.44 H new ATOM 0 HE21 GLN A 89 8.358 25.268 5.120 1.00 62.23 H new ATOM 0 HE22 GLN A 89 7.975 26.455 6.371 1.00 62.23 H new ATOM 1396 N GLY A 90 4.810 21.142 6.619 1.00 41.15 N ATOM 1397 CA GLY A 90 4.517 19.741 6.814 1.00 31.11 C ATOM 1398 C GLY A 90 5.734 18.990 7.292 1.00 31.14 C ATOM 1399 O GLY A 90 6.826 19.555 7.360 1.00 41.14 O ATOM 0 H GLY A 90 5.518 21.519 7.248 1.00 41.15 H new ATOM 0 HA2 GLY A 90 3.711 19.633 7.540 1.00 31.11 H new ATOM 0 HA3 GLY A 90 4.163 19.307 5.879 1.00 31.11 H new ATOM 1403 N TRP A 91 5.564 17.721 7.618 1.00 1.05 N ATOM 1404 CA TRP A 91 6.670 16.917 8.099 1.00 21.13 C ATOM 1405 C TRP A 91 6.528 15.480 7.614 1.00 24.15 C ATOM 1406 O TRP A 91 5.914 14.650 8.284 1.00 54.32 O ATOM 1407 CB TRP A 91 6.733 16.960 9.625 1.00 54.31 C ATOM 1408 CG TRP A 91 8.096 16.673 10.167 1.00 20.42 C ATOM 1409 CD1 TRP A 91 8.574 15.478 10.618 1.00 65.12 C ATOM 1410 CD2 TRP A 91 9.164 17.614 10.305 1.00 12.15 C ATOM 1411 NE1 TRP A 91 9.875 15.621 11.036 1.00 72.51 N ATOM 1412 CE2 TRP A 91 10.259 16.924 10.851 1.00 54.41 C ATOM 1413 CE3 TRP A 91 9.295 18.975 10.018 1.00 43.04 C ATOM 1414 CZ2 TRP A 91 11.472 17.554 11.118 1.00 22.23 C ATOM 1415 CZ3 TRP A 91 10.497 19.596 10.282 1.00 21.42 C ATOM 1416 CH2 TRP A 91 11.570 18.885 10.825 1.00 15.43 C ATOM 0 H TRP A 91 4.673 17.228 7.558 1.00 1.05 H new ATOM 0 HA TRP A 91 7.598 17.328 7.702 1.00 21.13 H new ATOM 0 HB2 TRP A 91 6.413 17.944 9.968 1.00 54.31 H new ATOM 0 HB3 TRP A 91 6.027 16.236 10.032 1.00 54.31 H new ATOM 0 HD1 TRP A 91 8.013 14.556 10.643 1.00 65.12 H new ATOM 0 HE1 TRP A 91 10.460 14.879 11.421 1.00 72.51 H new ATOM 0 HE3 TRP A 91 8.470 19.530 9.597 1.00 43.04 H new ATOM 0 HZ2 TRP A 91 12.304 17.011 11.541 1.00 22.23 H new ATOM 0 HZ3 TRP A 91 10.611 20.648 10.066 1.00 21.42 H new ATOM 0 HH2 TRP A 91 12.500 19.400 11.018 1.00 15.43 H new ATOM 1427 N PRO A 92 7.080 15.177 6.430 1.00 64.14 N ATOM 1428 CA PRO A 92 7.005 13.851 5.826 1.00 60.55 C ATOM 1429 C PRO A 92 8.105 12.924 6.329 1.00 0.42 C ATOM 1430 O PRO A 92 8.292 11.823 5.812 1.00 12.41 O ATOM 1431 CB PRO A 92 7.184 14.123 4.325 1.00 45.11 C ATOM 1432 CG PRO A 92 7.540 15.577 4.190 1.00 23.52 C ATOM 1433 CD PRO A 92 7.810 16.107 5.570 1.00 20.11 C ATOM 0 HA PRO A 92 6.069 13.349 6.071 1.00 60.55 H new ATOM 0 HB2 PRO A 92 7.969 13.492 3.908 1.00 45.11 H new ATOM 0 HB3 PRO A 92 6.269 13.896 3.779 1.00 45.11 H new ATOM 0 HG2 PRO A 92 8.417 15.699 3.554 1.00 23.52 H new ATOM 0 HG3 PRO A 92 6.726 16.129 3.720 1.00 23.52 H new ATOM 0 HD2 PRO A 92 8.876 16.115 5.798 1.00 20.11 H new ATOM 0 HD3 PRO A 92 7.452 17.130 5.686 1.00 20.11 H new ATOM 1441 N LEU A 93 8.828 13.374 7.347 1.00 21.21 N ATOM 1442 CA LEU A 93 9.911 12.587 7.924 1.00 44.02 C ATOM 1443 C LEU A 93 9.381 11.713 9.054 1.00 73.14 C ATOM 1444 O LEU A 93 10.057 11.503 10.063 1.00 62.40 O ATOM 1445 CB LEU A 93 11.017 13.506 8.455 1.00 23.12 C ATOM 1446 CG LEU A 93 11.602 14.499 7.445 1.00 64.11 C ATOM 1447 CD1 LEU A 93 12.756 15.265 8.071 1.00 64.22 C ATOM 1448 CD2 LEU A 93 12.059 13.789 6.180 1.00 63.12 C ATOM 0 H LEU A 93 8.684 14.281 7.791 1.00 21.21 H new ATOM 0 HA LEU A 93 10.327 11.949 7.144 1.00 44.02 H new ATOM 0 HB2 LEU A 93 10.621 14.068 9.301 1.00 23.12 H new ATOM 0 HB3 LEU A 93 11.827 12.885 8.836 1.00 23.12 H new ATOM 0 HG LEU A 93 10.819 15.205 7.169 1.00 64.11 H new ATOM 0 HD11 LEU A 93 13.163 15.967 7.344 1.00 64.22 H new ATOM 0 HD12 LEU A 93 12.399 15.812 8.943 1.00 64.22 H new ATOM 0 HD13 LEU A 93 13.535 14.565 8.375 1.00 64.22 H new ATOM 0 HD21 LEU A 93 12.470 14.518 5.482 1.00 63.12 H new ATOM 0 HD22 LEU A 93 12.825 13.056 6.431 1.00 63.12 H new ATOM 0 HD23 LEU A 93 11.210 13.284 5.720 1.00 63.12 H new