USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=11 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 X(o=0,f=-0.12) USER MOD Single : A 9 THR OG1 : rot 66:sc= 1.23 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -88:sc= 1.27 USER MOD Single : A 26 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 28 SER OG : rot 80:sc= -0.706 USER MOD Single : A 36 CYS SG : rot -31:sc= 0.022 USER MOD Single : A 40 SER OG : rot 84:sc= 0.494 USER MOD Single : A 41 HIS : no HE2:sc= -0.899! C(o=-0.9!,f=-4.7!) 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=-0.034) USER MOD Single : A 52 MET CE :methyl 180:sc= -4.56! (180deg=-4.56!) USER MOD Single : A 59 GLN : amide:sc= -0.0132 K(o=-0.013,f=-1.1) USER MOD Single : A 67 THR OG1 : rot -71:sc= 0.799 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -95:sc= 1.15 USER MOD Single : A 89 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 5 11.123 7.699 -5.841 1.00 22.52 N ATOM 57 CA ASN A 5 11.057 8.825 -6.773 1.00 73.11 C ATOM 58 C ASN A 5 10.009 9.836 -6.320 1.00 10.31 C ATOM 59 O ASN A 5 10.273 11.038 -6.241 1.00 10.11 O ATOM 60 CB ASN A 5 10.715 8.330 -8.183 1.00 53.32 C ATOM 61 CG ASN A 5 10.693 9.448 -9.211 1.00 53.24 C ATOM 62 OD1 ASN A 5 9.680 10.127 -9.390 1.00 40.34 O ATOM 63 ND2 ASN A 5 11.800 9.627 -9.916 1.00 4.12 N ATOM 0 HA ASN A 5 12.033 9.310 -6.789 1.00 73.11 H new ATOM 0 HB2 ASN A 5 11.444 7.579 -8.486 1.00 53.32 H new ATOM 0 HB3 ASN A 5 9.741 7.840 -8.165 1.00 53.32 H new ATOM 0 HD21 ASN A 5 11.834 10.348 -10.637 1.00 4.12 H new ATOM 0 HD22 ASN A 5 12.618 9.044 -9.738 1.00 4.12 H new ATOM 70 N ARG A 6 8.824 9.333 -5.996 1.00 70.34 N ATOM 71 CA ARG A 6 7.724 10.184 -5.562 1.00 45.50 C ATOM 72 C ARG A 6 8.023 10.782 -4.189 1.00 22.34 C ATOM 73 O ARG A 6 7.692 11.937 -3.921 1.00 1.32 O ATOM 74 CB ARG A 6 6.418 9.384 -5.523 1.00 34.52 C ATOM 75 CG ARG A 6 5.177 10.248 -5.354 1.00 35.22 C ATOM 76 CD ARG A 6 4.993 11.188 -6.535 1.00 55.24 C ATOM 77 NE ARG A 6 3.806 12.030 -6.392 1.00 65.22 N ATOM 78 CZ ARG A 6 3.441 12.963 -7.273 1.00 12.53 C ATOM 79 NH1 ARG A 6 4.161 13.161 -8.372 1.00 43.31 N ATOM 80 NH2 ARG A 6 2.351 13.689 -7.059 1.00 11.12 N ATOM 0 H ARG A 6 8.600 8.338 -6.026 1.00 70.34 H new ATOM 0 HA ARG A 6 7.612 10.999 -6.277 1.00 45.50 H new ATOM 0 HB2 ARG A 6 6.327 8.809 -6.444 1.00 34.52 H new ATOM 0 HB3 ARG A 6 6.465 8.667 -4.703 1.00 34.52 H new ATOM 0 HG2 ARG A 6 4.299 9.611 -5.254 1.00 35.22 H new ATOM 0 HG3 ARG A 6 5.257 10.828 -4.434 1.00 35.22 H new ATOM 0 HD2 ARG A 6 5.875 11.821 -6.634 1.00 55.24 H new ATOM 0 HD3 ARG A 6 4.914 10.605 -7.452 1.00 55.24 H new ATOM 0 HE ARG A 6 3.221 11.896 -5.567 1.00 65.22 H new ATOM 0 HH11 ARG A 6 4.995 12.599 -8.544 1.00 43.31 H new ATOM 0 HH12 ARG A 6 3.880 13.875 -9.044 1.00 43.31 H new ATOM 0 HH21 ARG A 6 1.791 13.534 -6.220 1.00 11.12 H new ATOM 0 HH22 ARG A 6 2.073 14.402 -7.733 1.00 11.12 H new ATOM 94 N PHE A 7 8.666 9.994 -3.332 1.00 61.03 N ATOM 95 CA PHE A 7 9.033 10.451 -1.997 1.00 54.10 C ATOM 96 C PHE A 7 10.037 11.597 -2.081 1.00 14.21 C ATOM 97 O PHE A 7 9.876 12.622 -1.423 1.00 1.24 O ATOM 98 CB PHE A 7 9.611 9.293 -1.175 1.00 72.25 C ATOM 99 CG PHE A 7 9.986 9.671 0.232 1.00 31.43 C ATOM 100 CD1 PHE A 7 9.007 9.896 1.187 1.00 52.24 C ATOM 101 CD2 PHE A 7 11.316 9.806 0.598 1.00 4.00 C ATOM 102 CE1 PHE A 7 9.347 10.245 2.481 1.00 13.43 C ATOM 103 CE2 PHE A 7 11.662 10.156 1.890 1.00 61.21 C ATOM 104 CZ PHE A 7 10.677 10.375 2.833 1.00 73.30 C ATOM 0 H PHE A 7 8.944 9.035 -3.539 1.00 61.03 H new ATOM 0 HA PHE A 7 8.135 10.815 -1.499 1.00 54.10 H new ATOM 0 HB2 PHE A 7 8.881 8.485 -1.141 1.00 72.25 H new ATOM 0 HB3 PHE A 7 10.493 8.904 -1.684 1.00 72.25 H new ATOM 0 HD1 PHE A 7 7.966 9.798 0.917 1.00 52.24 H new ATOM 0 HD2 PHE A 7 12.091 9.636 -0.135 1.00 4.00 H new ATOM 0 HE1 PHE A 7 8.574 10.416 3.216 1.00 13.43 H new ATOM 0 HE2 PHE A 7 12.702 10.258 2.162 1.00 61.21 H new ATOM 0 HZ PHE A 7 10.946 10.647 3.843 1.00 73.30 H new ATOM 114 N LEU A 8 11.062 11.424 -2.910 1.00 52.30 N ATOM 115 CA LEU A 8 12.069 12.460 -3.109 1.00 12.42 C ATOM 116 C LEU A 8 11.435 13.715 -3.696 1.00 4.34 C ATOM 117 O LEU A 8 11.799 14.832 -3.331 1.00 54.30 O ATOM 118 CB LEU A 8 13.192 11.956 -4.021 1.00 73.45 C ATOM 119 CG LEU A 8 13.997 10.777 -3.469 1.00 4.01 C ATOM 120 CD1 LEU A 8 15.052 10.336 -4.471 1.00 63.33 C ATOM 121 CD2 LEU A 8 14.644 11.144 -2.140 1.00 0.01 C ATOM 0 H LEU A 8 11.217 10.576 -3.455 1.00 52.30 H new ATOM 0 HA LEU A 8 12.499 12.708 -2.138 1.00 12.42 H new ATOM 0 HB2 LEU A 8 12.759 11.664 -4.978 1.00 73.45 H new ATOM 0 HB3 LEU A 8 13.876 12.781 -4.220 1.00 73.45 H new ATOM 0 HG LEU A 8 13.313 9.945 -3.299 1.00 4.01 H new ATOM 0 HD11 LEU A 8 15.615 9.497 -4.062 1.00 63.33 H new ATOM 0 HD12 LEU A 8 14.568 10.030 -5.398 1.00 63.33 H new ATOM 0 HD13 LEU A 8 15.731 11.164 -4.672 1.00 63.33 H new ATOM 0 HD21 LEU A 8 15.212 10.293 -1.764 1.00 0.01 H new ATOM 0 HD22 LEU A 8 15.314 11.992 -2.283 1.00 0.01 H new ATOM 0 HD23 LEU A 8 13.870 11.410 -1.420 1.00 0.01 H new ATOM 133 N THR A 9 10.475 13.522 -4.598 1.00 50.43 N ATOM 134 CA THR A 9 9.717 14.631 -5.160 1.00 11.00 C ATOM 135 C THR A 9 9.001 15.403 -4.050 1.00 63.12 C ATOM 136 O THR A 9 9.015 16.637 -4.025 1.00 22.31 O ATOM 137 CB THR A 9 8.681 14.131 -6.189 1.00 3.51 C ATOM 138 OG1 THR A 9 9.340 13.430 -7.252 1.00 24.21 O ATOM 139 CG2 THR A 9 7.877 15.286 -6.768 1.00 32.31 C ATOM 0 H THR A 9 10.205 12.605 -4.954 1.00 50.43 H new ATOM 0 HA THR A 9 10.421 15.292 -5.666 1.00 11.00 H new ATOM 0 HB THR A 9 7.997 13.457 -5.673 1.00 3.51 H new ATOM 0 HG1 THR A 9 9.752 12.613 -6.900 1.00 24.21 H new ATOM 0 HG21 THR A 9 7.156 14.902 -7.489 1.00 32.31 H new ATOM 0 HG22 THR A 9 7.348 15.800 -5.965 1.00 32.31 H new ATOM 0 HG23 THR A 9 8.550 15.985 -7.265 1.00 32.31 H new ATOM 147 N SER A 10 8.397 14.663 -3.128 1.00 65.42 N ATOM 148 CA SER A 10 7.709 15.254 -1.990 1.00 14.20 C ATOM 149 C SER A 10 8.692 16.037 -1.124 1.00 60.34 C ATOM 150 O SER A 10 8.396 17.146 -0.684 1.00 33.45 O ATOM 151 CB SER A 10 7.020 14.159 -1.167 1.00 14.00 C ATOM 152 OG SER A 10 6.308 14.705 -0.070 1.00 11.13 O ATOM 0 H SER A 10 8.371 13.644 -3.149 1.00 65.42 H new ATOM 0 HA SER A 10 6.950 15.945 -2.356 1.00 14.20 H new ATOM 0 HB2 SER A 10 6.335 13.600 -1.804 1.00 14.00 H new ATOM 0 HB3 SER A 10 7.766 13.452 -0.803 1.00 14.00 H new ATOM 0 HG SER A 10 5.879 13.982 0.434 1.00 11.13 H new ATOM 158 N ILE A 11 9.871 15.459 -0.902 1.00 41.21 N ATOM 159 CA ILE A 11 10.914 16.113 -0.120 1.00 43.24 C ATOM 160 C ILE A 11 11.321 17.434 -0.766 1.00 34.21 C ATOM 161 O ILE A 11 11.357 18.467 -0.104 1.00 51.11 O ATOM 162 CB ILE A 11 12.159 15.212 0.042 1.00 63.44 C ATOM 163 CG1 ILE A 11 11.784 13.901 0.740 1.00 0.25 C ATOM 164 CG2 ILE A 11 13.253 15.934 0.821 1.00 53.04 C ATOM 165 CD1 ILE A 11 11.137 14.090 2.097 1.00 53.14 C ATOM 0 H ILE A 11 10.127 14.537 -1.254 1.00 41.21 H new ATOM 0 HA ILE A 11 10.500 16.305 0.870 1.00 43.24 H new ATOM 0 HB ILE A 11 12.543 14.981 -0.952 1.00 63.44 H new ATOM 0 HG12 ILE A 11 11.103 13.341 0.099 1.00 0.25 H new ATOM 0 HG13 ILE A 11 12.682 13.294 0.858 1.00 0.25 H new ATOM 0 HG21 ILE A 11 14.119 15.280 0.922 1.00 53.04 H new ATOM 0 HG22 ILE A 11 13.542 16.840 0.288 1.00 53.04 H new ATOM 0 HG23 ILE A 11 12.881 16.199 1.811 1.00 53.04 H new ATOM 0 HD11 ILE A 11 10.901 13.116 2.526 1.00 53.14 H new ATOM 0 HD12 ILE A 11 11.823 14.621 2.757 1.00 53.14 H new ATOM 0 HD13 ILE A 11 10.220 14.669 1.986 1.00 53.14 H new ATOM 177 N VAL A 12 11.609 17.393 -2.065 1.00 21.55 N ATOM 178 CA VAL A 12 11.966 18.594 -2.817 1.00 14.34 C ATOM 179 C VAL A 12 10.892 19.668 -2.669 1.00 13.44 C ATOM 180 O VAL A 12 11.187 20.813 -2.308 1.00 43.23 O ATOM 181 CB VAL A 12 12.169 18.284 -4.317 1.00 35.21 C ATOM 182 CG1 VAL A 12 12.339 19.566 -5.121 1.00 52.52 C ATOM 183 CG2 VAL A 12 13.369 17.368 -4.519 1.00 24.24 C ATOM 0 H VAL A 12 11.602 16.538 -2.621 1.00 21.55 H new ATOM 0 HA VAL A 12 12.906 18.961 -2.404 1.00 14.34 H new ATOM 0 HB VAL A 12 11.277 17.772 -4.677 1.00 35.21 H new ATOM 0 HG11 VAL A 12 12.480 19.319 -6.173 1.00 52.52 H new ATOM 0 HG12 VAL A 12 11.449 20.186 -5.010 1.00 52.52 H new ATOM 0 HG13 VAL A 12 13.209 20.112 -4.756 1.00 52.52 H new ATOM 0 HG21 VAL A 12 13.495 17.162 -5.582 1.00 24.24 H new ATOM 0 HG22 VAL A 12 14.266 17.854 -4.135 1.00 24.24 H new ATOM 0 HG23 VAL A 12 13.206 16.432 -3.985 1.00 24.24 H new ATOM 193 N ALA A 13 9.648 19.284 -2.938 1.00 44.22 N ATOM 194 CA ALA A 13 8.519 20.198 -2.835 1.00 63.42 C ATOM 195 C ALA A 13 8.407 20.761 -1.422 1.00 5.15 C ATOM 196 O ALA A 13 8.209 21.957 -1.234 1.00 60.31 O ATOM 197 CB ALA A 13 7.232 19.494 -3.232 1.00 50.45 C ATOM 0 H ALA A 13 9.397 18.340 -3.231 1.00 44.22 H new ATOM 0 HA ALA A 13 8.686 21.029 -3.520 1.00 63.42 H new ATOM 0 HB1 ALA A 13 6.397 20.189 -3.150 1.00 50.45 H new ATOM 0 HB2 ALA A 13 7.312 19.142 -4.261 1.00 50.45 H new ATOM 0 HB3 ALA A 13 7.063 18.644 -2.570 1.00 50.45 H new ATOM 203 N TRP A 14 8.556 19.886 -0.438 1.00 34.42 N ATOM 204 CA TRP A 14 8.506 20.271 0.965 1.00 42.25 C ATOM 205 C TRP A 14 9.615 21.264 1.307 1.00 70.10 C ATOM 206 O TRP A 14 9.361 22.293 1.935 1.00 3.04 O ATOM 207 CB TRP A 14 8.609 19.013 1.837 1.00 32.24 C ATOM 208 CG TRP A 14 8.873 19.273 3.290 1.00 61.43 C ATOM 209 CD1 TRP A 14 8.165 20.081 4.129 1.00 2.33 C ATOM 210 CD2 TRP A 14 9.913 18.691 4.076 1.00 1.21 C ATOM 211 NE1 TRP A 14 8.710 20.044 5.389 1.00 52.34 N ATOM 212 CE2 TRP A 14 9.787 19.195 5.383 1.00 5.51 C ATOM 213 CE3 TRP A 14 10.944 17.793 3.796 1.00 11.11 C ATOM 214 CZ2 TRP A 14 10.654 18.825 6.409 1.00 42.32 C ATOM 215 CZ3 TRP A 14 11.801 17.426 4.813 1.00 1.43 C ATOM 216 CH2 TRP A 14 11.654 17.941 6.104 1.00 73.14 C ATOM 0 H TRP A 14 8.715 18.890 -0.590 1.00 34.42 H new ATOM 0 HA TRP A 14 7.557 20.769 1.162 1.00 42.25 H new ATOM 0 HB2 TRP A 14 7.681 18.449 1.746 1.00 32.24 H new ATOM 0 HB3 TRP A 14 9.406 18.381 1.445 1.00 32.24 H new ATOM 0 HD1 TRP A 14 7.302 20.665 3.845 1.00 2.33 H new ATOM 0 HE1 TRP A 14 8.369 20.564 6.198 1.00 52.34 H new ATOM 0 HE3 TRP A 14 11.069 17.392 2.801 1.00 11.11 H new ATOM 0 HZ2 TRP A 14 10.541 19.221 7.408 1.00 42.32 H new ATOM 0 HZ3 TRP A 14 12.600 16.728 4.608 1.00 1.43 H new ATOM 0 HH2 TRP A 14 12.344 17.635 6.877 1.00 73.14 H new ATOM 227 N LEU A 15 10.834 20.965 0.875 1.00 2.10 N ATOM 228 CA LEU A 15 11.982 21.815 1.167 1.00 34.45 C ATOM 229 C LEU A 15 11.792 23.214 0.601 1.00 0.13 C ATOM 230 O LEU A 15 11.992 24.206 1.304 1.00 34.54 O ATOM 231 CB LEU A 15 13.270 21.203 0.617 1.00 11.03 C ATOM 232 CG LEU A 15 13.646 19.844 1.207 1.00 31.04 C ATOM 233 CD1 LEU A 15 15.021 19.416 0.723 1.00 61.44 C ATOM 234 CD2 LEU A 15 13.597 19.889 2.727 1.00 64.45 C ATOM 0 H LEU A 15 11.054 20.138 0.320 1.00 2.10 H new ATOM 0 HA LEU A 15 12.063 21.889 2.251 1.00 34.45 H new ATOM 0 HB2 LEU A 15 13.171 21.098 -0.463 1.00 11.03 H new ATOM 0 HB3 LEU A 15 14.090 21.899 0.796 1.00 11.03 H new ATOM 0 HG LEU A 15 12.920 19.106 0.866 1.00 31.04 H new ATOM 0 HD11 LEU A 15 15.273 18.446 1.153 1.00 61.44 H new ATOM 0 HD12 LEU A 15 15.017 19.341 -0.364 1.00 61.44 H new ATOM 0 HD13 LEU A 15 15.762 20.153 1.033 1.00 61.44 H new ATOM 0 HD21 LEU A 15 13.868 18.913 3.129 1.00 64.45 H new ATOM 0 HD22 LEU A 15 14.299 20.639 3.092 1.00 64.45 H new ATOM 0 HD23 LEU A 15 12.589 20.148 3.051 1.00 64.45 H new ATOM 246 N ARG A 16 11.397 23.300 -0.663 1.00 2.41 N ATOM 247 CA ARG A 16 11.196 24.600 -1.288 1.00 31.15 C ATOM 248 C ARG A 16 9.961 25.294 -0.717 1.00 5.31 C ATOM 249 O ARG A 16 9.950 26.512 -0.557 1.00 11.03 O ATOM 250 CB ARG A 16 11.110 24.488 -2.814 1.00 12.41 C ATOM 251 CG ARG A 16 10.087 23.486 -3.323 1.00 75.42 C ATOM 252 CD ARG A 16 9.945 23.548 -4.838 1.00 13.34 C ATOM 253 NE ARG A 16 11.204 23.308 -5.543 1.00 41.44 N ATOM 254 CZ ARG A 16 11.960 24.279 -6.058 1.00 71.15 C ATOM 255 NH1 ARG A 16 11.640 25.549 -5.863 1.00 44.40 N ATOM 256 NH2 ARG A 16 13.035 23.978 -6.773 1.00 61.31 N ATOM 0 H ARG A 16 11.212 22.499 -1.267 1.00 2.41 H new ATOM 0 HA ARG A 16 12.067 25.213 -1.057 1.00 31.15 H new ATOM 0 HB2 ARG A 16 10.871 25.470 -3.223 1.00 12.41 H new ATOM 0 HB3 ARG A 16 12.091 24.212 -3.200 1.00 12.41 H new ATOM 0 HG2 ARG A 16 10.384 22.480 -3.026 1.00 75.42 H new ATOM 0 HG3 ARG A 16 9.121 23.684 -2.858 1.00 75.42 H new ATOM 0 HD2 ARG A 16 9.210 22.810 -5.158 1.00 13.34 H new ATOM 0 HD3 ARG A 16 9.558 24.527 -5.121 1.00 13.34 H new ATOM 0 HE ARG A 16 11.522 22.344 -5.647 1.00 41.44 H new ATOM 0 HH11 ARG A 16 10.812 25.788 -5.317 1.00 44.40 H new ATOM 0 HH12 ARG A 16 12.221 26.288 -6.259 1.00 44.40 H new ATOM 0 HH21 ARG A 16 13.286 23.002 -6.931 1.00 61.31 H new ATOM 0 HH22 ARG A 16 13.611 24.722 -7.166 1.00 61.31 H new ATOM 270 N ALA A 17 8.930 24.524 -0.385 1.00 2.12 N ATOM 271 CA ALA A 17 7.737 25.086 0.241 1.00 33.54 C ATOM 272 C ALA A 17 8.070 25.626 1.624 1.00 24.54 C ATOM 273 O ALA A 17 7.402 26.527 2.132 1.00 1.33 O ATOM 274 CB ALA A 17 6.629 24.048 0.329 1.00 34.13 C ATOM 0 H ALA A 17 8.895 23.516 -0.537 1.00 2.12 H new ATOM 0 HA ALA A 17 7.382 25.909 -0.380 1.00 33.54 H new ATOM 0 HB1 ALA A 17 5.751 24.492 0.799 1.00 34.13 H new ATOM 0 HB2 ALA A 17 6.370 23.706 -0.673 1.00 34.13 H new ATOM 0 HB3 ALA A 17 6.970 23.201 0.924 1.00 34.13 H new ATOM 280 N GLY A 18 9.104 25.058 2.232 1.00 51.14 N ATOM 281 CA GLY A 18 9.579 25.547 3.507 1.00 30.22 C ATOM 282 C GLY A 18 10.313 26.863 3.377 1.00 44.24 C ATOM 283 O GLY A 18 10.322 27.668 4.309 1.00 11.14 O ATOM 0 H GLY A 18 9.623 24.263 1.860 1.00 51.14 H new ATOM 0 HA2 GLY A 18 8.734 25.670 4.185 1.00 30.22 H new ATOM 0 HA3 GLY A 18 10.242 24.806 3.954 1.00 30.22 H new ATOM 287 N TYR A 19 10.913 27.095 2.213 1.00 34.05 N ATOM 288 CA TYR A 19 11.684 28.310 1.984 1.00 45.12 C ATOM 289 C TYR A 19 11.502 28.826 0.561 1.00 10.22 C ATOM 290 O TYR A 19 12.380 28.664 -0.286 1.00 41.13 O ATOM 291 CB TYR A 19 13.173 28.084 2.274 1.00 74.13 C ATOM 292 CG TYR A 19 13.562 28.370 3.705 1.00 10.41 C ATOM 293 CD1 TYR A 19 13.948 29.647 4.087 1.00 25.43 C ATOM 294 CD2 TYR A 19 13.529 27.376 4.677 1.00 61.34 C ATOM 295 CE1 TYR A 19 14.292 29.929 5.392 1.00 22.44 C ATOM 296 CE2 TYR A 19 13.864 27.652 5.990 1.00 73.24 C ATOM 297 CZ TYR A 19 14.248 28.933 6.341 1.00 34.14 C ATOM 298 OH TYR A 19 14.562 29.231 7.647 1.00 52.11 O ATOM 0 H TYR A 19 10.880 26.459 1.416 1.00 34.05 H new ATOM 0 HA TYR A 19 11.306 29.065 2.673 1.00 45.12 H new ATOM 0 HB2 TYR A 19 13.428 27.051 2.037 1.00 74.13 H new ATOM 0 HB3 TYR A 19 13.763 28.718 1.612 1.00 74.13 H new ATOM 0 HD1 TYR A 19 13.980 30.434 3.348 1.00 25.43 H new ATOM 0 HD2 TYR A 19 13.237 26.373 4.402 1.00 61.34 H new ATOM 0 HE1 TYR A 19 14.595 30.928 5.669 1.00 22.44 H new ATOM 0 HE2 TYR A 19 13.826 26.872 6.736 1.00 73.24 H new ATOM 0 HH TYR A 19 15.527 29.128 7.783 1.00 52.11 H new ATOM 308 N PRO A 20 10.349 29.457 0.277 1.00 2.25 N ATOM 309 CA PRO A 20 10.090 30.067 -1.031 1.00 33.00 C ATOM 310 C PRO A 20 10.894 31.350 -1.208 1.00 63.40 C ATOM 311 O PRO A 20 10.947 31.933 -2.291 1.00 22.41 O ATOM 312 CB PRO A 20 8.591 30.365 -0.995 1.00 62.04 C ATOM 313 CG PRO A 20 8.271 30.529 0.451 1.00 43.04 C ATOM 314 CD PRO A 20 9.207 29.616 1.198 1.00 11.52 C ATOM 0 HA PRO A 20 10.377 29.422 -1.862 1.00 33.00 H new ATOM 0 HB2 PRO A 20 8.353 31.268 -1.558 1.00 62.04 H new ATOM 0 HB3 PRO A 20 8.015 29.552 -1.438 1.00 62.04 H new ATOM 0 HG2 PRO A 20 8.406 31.564 0.764 1.00 43.04 H new ATOM 0 HG3 PRO A 20 7.232 30.268 0.651 1.00 43.04 H new ATOM 0 HD2 PRO A 20 9.517 30.050 2.149 1.00 11.52 H new ATOM 0 HD3 PRO A 20 8.738 28.658 1.423 1.00 11.52 H new ATOM 322 N GLU A 21 11.514 31.776 -0.117 1.00 2.11 N ATOM 323 CA GLU A 21 12.378 32.944 -0.110 1.00 73.24 C ATOM 324 C GLU A 21 13.811 32.544 -0.442 1.00 20.44 C ATOM 325 O GLU A 21 14.710 33.383 -0.476 1.00 40.30 O ATOM 326 CB GLU A 21 12.328 33.604 1.270 1.00 43.24 C ATOM 327 CG GLU A 21 12.591 32.628 2.409 1.00 22.23 C ATOM 328 CD GLU A 21 12.575 33.288 3.771 1.00 20.12 C ATOM 329 OE1 GLU A 21 11.473 33.587 4.279 1.00 52.40 O ATOM 330 OE2 GLU A 21 13.663 33.495 4.346 1.00 51.00 O ATOM 0 H GLU A 21 11.431 31.318 0.791 1.00 2.11 H new ATOM 0 HA GLU A 21 12.031 33.650 -0.865 1.00 73.24 H new ATOM 0 HB2 GLU A 21 13.065 34.406 1.309 1.00 43.24 H new ATOM 0 HB3 GLU A 21 11.349 34.063 1.411 1.00 43.24 H new ATOM 0 HG2 GLU A 21 11.839 31.839 2.385 1.00 22.23 H new ATOM 0 HG3 GLU A 21 13.559 32.150 2.254 1.00 22.23 H new ATOM 337 N GLY A 22 14.012 31.256 -0.686 1.00 34.52 N ATOM 338 CA GLY A 22 15.344 30.743 -0.913 1.00 33.44 C ATOM 339 C GLY A 22 15.957 30.233 0.372 1.00 53.53 C ATOM 340 O GLY A 22 15.700 30.783 1.442 1.00 11.30 O ATOM 0 H GLY A 22 13.271 30.556 -0.730 1.00 34.52 H new ATOM 0 HA2 GLY A 22 15.307 29.938 -1.647 1.00 33.44 H new ATOM 0 HA3 GLY A 22 15.973 31.528 -1.333 1.00 33.44 H new ATOM 344 N ILE A 23 16.752 29.179 0.276 1.00 21.02 N ATOM 345 CA ILE A 23 17.375 28.595 1.456 1.00 2.44 C ATOM 346 C ILE A 23 18.761 29.196 1.672 1.00 35.10 C ATOM 347 O ILE A 23 19.681 28.944 0.894 1.00 4.14 O ATOM 348 CB ILE A 23 17.498 27.050 1.360 1.00 73.03 C ATOM 349 CG1 ILE A 23 16.130 26.385 1.142 1.00 44.05 C ATOM 350 CG2 ILE A 23 18.144 26.495 2.622 1.00 11.14 C ATOM 351 CD1 ILE A 23 15.630 26.436 -0.289 1.00 33.31 C ATOM 0 H ILE A 23 16.981 28.712 -0.601 1.00 21.02 H new ATOM 0 HA ILE A 23 16.727 28.827 2.301 1.00 2.44 H new ATOM 0 HB ILE A 23 18.125 26.823 0.498 1.00 73.03 H new ATOM 0 HG12 ILE A 23 16.192 25.343 1.456 1.00 44.05 H new ATOM 0 HG13 ILE A 23 15.397 26.869 1.788 1.00 44.05 H new ATOM 0 HG21 ILE A 23 18.225 25.411 2.543 1.00 11.14 H new ATOM 0 HG22 ILE A 23 19.138 26.925 2.741 1.00 11.14 H new ATOM 0 HG23 ILE A 23 17.532 26.751 3.487 1.00 11.14 H new ATOM 0 HD11 ILE A 23 14.659 25.944 -0.353 1.00 33.31 H new ATOM 0 HD12 ILE A 23 15.532 27.475 -0.603 1.00 33.31 H new ATOM 0 HD13 ILE A 23 16.339 25.925 -0.941 1.00 33.31 H new ATOM 363 N PRO A 24 18.913 30.017 2.723 1.00 3.32 N ATOM 364 CA PRO A 24 20.191 30.653 3.058 1.00 71.45 C ATOM 365 C PRO A 24 21.245 29.642 3.522 1.00 31.25 C ATOM 366 O PRO A 24 20.906 28.559 4.006 1.00 10.15 O ATOM 367 CB PRO A 24 19.831 31.616 4.195 1.00 34.22 C ATOM 368 CG PRO A 24 18.557 31.099 4.770 1.00 32.44 C ATOM 369 CD PRO A 24 17.838 30.397 3.656 1.00 74.45 C ATOM 0 HA PRO A 24 20.635 31.146 2.193 1.00 71.45 H new ATOM 0 HB2 PRO A 24 20.618 31.644 4.949 1.00 34.22 H new ATOM 0 HB3 PRO A 24 19.709 32.633 3.823 1.00 34.22 H new ATOM 0 HG2 PRO A 24 18.754 30.415 5.596 1.00 32.44 H new ATOM 0 HG3 PRO A 24 17.953 31.914 5.168 1.00 32.44 H new ATOM 0 HD2 PRO A 24 17.296 29.523 4.018 1.00 74.45 H new ATOM 0 HD3 PRO A 24 17.107 31.050 3.179 1.00 74.45 H new ATOM 377 N PRO A 25 22.542 29.999 3.399 1.00 35.02 N ATOM 378 CA PRO A 25 23.666 29.114 3.757 1.00 12.04 C ATOM 379 C PRO A 25 23.671 28.699 5.232 1.00 11.40 C ATOM 380 O PRO A 25 24.396 27.787 5.626 1.00 22.20 O ATOM 381 CB PRO A 25 24.909 29.956 3.441 1.00 2.20 C ATOM 382 CG PRO A 25 24.424 31.364 3.397 1.00 24.32 C ATOM 383 CD PRO A 25 23.018 31.293 2.881 1.00 72.20 C ATOM 0 HA PRO A 25 23.611 28.174 3.207 1.00 12.04 H new ATOM 0 HB2 PRO A 25 25.677 29.827 4.204 1.00 2.20 H new ATOM 0 HB3 PRO A 25 25.353 29.662 2.490 1.00 2.20 H new ATOM 0 HG2 PRO A 25 24.455 31.820 4.387 1.00 24.32 H new ATOM 0 HG3 PRO A 25 25.050 31.974 2.745 1.00 24.32 H new ATOM 0 HD2 PRO A 25 22.411 32.122 3.246 1.00 72.20 H new ATOM 0 HD3 PRO A 25 22.985 31.329 1.792 1.00 72.20 H new ATOM 391 N THR A 26 22.873 29.379 6.042 1.00 51.12 N ATOM 392 CA THR A 26 22.735 29.033 7.447 1.00 71.04 C ATOM 393 C THR A 26 21.765 27.872 7.619 1.00 51.20 C ATOM 394 O THR A 26 21.986 26.962 8.419 1.00 74.44 O ATOM 395 CB THR A 26 22.232 30.242 8.257 1.00 21.22 C ATOM 396 OG1 THR A 26 21.172 30.902 7.541 1.00 52.23 O ATOM 397 CG2 THR A 26 23.364 31.221 8.523 1.00 51.12 C ATOM 0 H THR A 26 22.309 30.177 5.748 1.00 51.12 H new ATOM 0 HA THR A 26 23.717 28.738 7.817 1.00 71.04 H new ATOM 0 HB THR A 26 21.854 29.884 9.215 1.00 21.22 H new ATOM 0 HG1 THR A 26 20.331 30.420 7.685 1.00 52.23 H new ATOM 0 HG21 THR A 26 22.986 32.067 9.097 1.00 51.12 H new ATOM 0 HG22 THR A 26 24.151 30.722 9.088 1.00 51.12 H new ATOM 0 HG23 THR A 26 23.768 31.577 7.575 1.00 51.12 H new ATOM 405 N ASP A 27 20.707 27.900 6.826 1.00 40.23 N ATOM 406 CA ASP A 27 19.619 26.946 6.959 1.00 64.21 C ATOM 407 C ASP A 27 19.824 25.755 6.042 1.00 23.45 C ATOM 408 O ASP A 27 19.212 24.711 6.234 1.00 13.20 O ATOM 409 CB ASP A 27 18.281 27.625 6.660 1.00 62.14 C ATOM 410 CG ASP A 27 17.943 28.697 7.677 1.00 1.21 C ATOM 411 OD1 ASP A 27 18.677 29.708 7.753 1.00 12.42 O ATOM 412 OD2 ASP A 27 16.948 28.539 8.409 1.00 22.33 O ATOM 0 H ASP A 27 20.578 28.580 6.077 1.00 40.23 H new ATOM 0 HA ASP A 27 19.608 26.583 7.987 1.00 64.21 H new ATOM 0 HB2 ASP A 27 18.315 28.068 5.665 1.00 62.14 H new ATOM 0 HB3 ASP A 27 17.490 26.875 6.648 1.00 62.14 H new ATOM 417 N SER A 28 20.691 25.906 5.052 1.00 54.23 N ATOM 418 CA SER A 28 21.003 24.814 4.143 1.00 53.34 C ATOM 419 C SER A 28 21.638 23.653 4.904 1.00 42.43 C ATOM 420 O SER A 28 21.253 22.494 4.731 1.00 42.13 O ATOM 421 CB SER A 28 21.939 25.308 3.043 1.00 4.45 C ATOM 422 OG SER A 28 23.043 25.996 3.601 1.00 12.42 O ATOM 0 H SER A 28 21.191 26.774 4.858 1.00 54.23 H new ATOM 0 HA SER A 28 20.079 24.458 3.686 1.00 53.34 H new ATOM 0 HB2 SER A 28 22.291 24.463 2.451 1.00 4.45 H new ATOM 0 HB3 SER A 28 21.397 25.968 2.366 1.00 4.45 H new ATOM 0 HG SER A 28 23.704 25.348 3.922 1.00 12.42 H new ATOM 428 N PHE A 29 22.596 23.979 5.766 1.00 42.55 N ATOM 429 CA PHE A 29 23.255 22.974 6.589 1.00 4.12 C ATOM 430 C PHE A 29 22.291 22.472 7.660 1.00 35.43 C ATOM 431 O PHE A 29 22.401 21.344 8.139 1.00 12.15 O ATOM 432 CB PHE A 29 24.522 23.543 7.241 1.00 33.34 C ATOM 433 CG PHE A 29 25.518 24.118 6.268 1.00 34.33 C ATOM 434 CD1 PHE A 29 25.552 23.700 4.946 1.00 60.53 C ATOM 435 CD2 PHE A 29 26.422 25.084 6.680 1.00 24.54 C ATOM 436 CE1 PHE A 29 26.464 24.235 4.057 1.00 42.44 C ATOM 437 CE2 PHE A 29 27.337 25.622 5.796 1.00 25.20 C ATOM 438 CZ PHE A 29 27.357 25.198 4.482 1.00 14.20 C ATOM 0 H PHE A 29 22.932 24.931 5.912 1.00 42.55 H new ATOM 0 HA PHE A 29 23.549 22.141 5.950 1.00 4.12 H new ATOM 0 HB2 PHE A 29 24.234 24.320 7.949 1.00 33.34 H new ATOM 0 HB3 PHE A 29 25.007 22.753 7.814 1.00 33.34 H new ATOM 0 HD1 PHE A 29 24.856 22.946 4.607 1.00 60.53 H new ATOM 0 HD2 PHE A 29 26.411 25.421 7.706 1.00 24.54 H new ATOM 0 HE1 PHE A 29 26.478 23.900 3.030 1.00 42.44 H new ATOM 0 HE2 PHE A 29 28.036 26.373 6.132 1.00 25.20 H new ATOM 0 HZ PHE A 29 28.070 25.619 3.788 1.00 14.20 H new ATOM 448 N ALA A 30 21.342 23.324 8.026 1.00 14.21 N ATOM 449 CA ALA A 30 20.306 22.958 8.978 1.00 35.22 C ATOM 450 C ALA A 30 19.365 21.921 8.371 1.00 13.34 C ATOM 451 O ALA A 30 19.084 20.893 8.986 1.00 31.42 O ATOM 452 CB ALA A 30 19.539 24.193 9.416 1.00 43.15 C ATOM 0 H ALA A 30 21.270 24.279 7.674 1.00 14.21 H new ATOM 0 HA ALA A 30 20.776 22.515 9.856 1.00 35.22 H new ATOM 0 HB1 ALA A 30 18.766 23.907 10.129 1.00 43.15 H new ATOM 0 HB2 ALA A 30 20.224 24.899 9.887 1.00 43.15 H new ATOM 0 HB3 ALA A 30 19.076 24.661 8.547 1.00 43.15 H new ATOM 458 N VAL A 31 18.889 22.196 7.155 1.00 22.11 N ATOM 459 CA VAL A 31 18.087 21.232 6.406 1.00 35.35 C ATOM 460 C VAL A 31 18.866 19.932 6.260 1.00 24.34 C ATOM 461 O VAL A 31 18.316 18.842 6.407 1.00 23.22 O ATOM 462 CB VAL A 31 17.708 21.759 4.999 1.00 1.31 C ATOM 463 CG1 VAL A 31 16.918 20.717 4.223 1.00 65.31 C ATOM 464 CG2 VAL A 31 16.913 23.049 5.097 1.00 4.31 C ATOM 0 H VAL A 31 19.046 23.079 6.670 1.00 22.11 H new ATOM 0 HA VAL A 31 17.164 21.067 6.962 1.00 35.35 H new ATOM 0 HB VAL A 31 18.635 21.963 4.463 1.00 1.31 H new ATOM 0 HG11 VAL A 31 16.664 21.111 3.239 1.00 65.31 H new ATOM 0 HG12 VAL A 31 17.520 19.815 4.108 1.00 65.31 H new ATOM 0 HG13 VAL A 31 16.003 20.476 4.765 1.00 65.31 H new ATOM 0 HG21 VAL A 31 16.660 23.397 4.096 1.00 4.31 H new ATOM 0 HG22 VAL A 31 15.998 22.870 5.661 1.00 4.31 H new ATOM 0 HG23 VAL A 31 17.510 23.807 5.605 1.00 4.31 H new ATOM 474 N LEU A 32 20.157 20.073 5.981 1.00 10.50 N ATOM 475 CA LEU A 32 21.071 18.942 5.926 1.00 25.41 C ATOM 476 C LEU A 32 21.005 18.118 7.210 1.00 40.04 C ATOM 477 O LEU A 32 20.865 16.897 7.161 1.00 73.03 O ATOM 478 CB LEU A 32 22.497 19.456 5.698 1.00 30.42 C ATOM 479 CG LEU A 32 23.621 18.555 6.213 1.00 42.24 C ATOM 480 CD1 LEU A 32 23.682 17.256 5.428 1.00 63.55 C ATOM 481 CD2 LEU A 32 24.949 19.297 6.155 1.00 45.32 C ATOM 0 H LEU A 32 20.597 20.973 5.787 1.00 10.50 H new ATOM 0 HA LEU A 32 20.778 18.294 5.100 1.00 25.41 H new ATOM 0 HB2 LEU A 32 22.641 19.609 4.628 1.00 30.42 H new ATOM 0 HB3 LEU A 32 22.592 20.431 6.175 1.00 30.42 H new ATOM 0 HG LEU A 32 23.414 18.297 7.252 1.00 42.24 H new ATOM 0 HD11 LEU A 32 24.490 16.635 5.815 1.00 63.55 H new ATOM 0 HD12 LEU A 32 22.735 16.725 5.529 1.00 63.55 H new ATOM 0 HD13 LEU A 32 23.865 17.475 4.376 1.00 63.55 H new ATOM 0 HD21 LEU A 32 25.744 18.649 6.523 1.00 45.32 H new ATOM 0 HD22 LEU A 32 25.162 19.583 5.125 1.00 45.32 H new ATOM 0 HD23 LEU A 32 24.893 20.192 6.775 1.00 45.32 H new ATOM 493 N ALA A 33 21.084 18.789 8.352 1.00 25.31 N ATOM 494 CA ALA A 33 21.041 18.111 9.641 1.00 12.22 C ATOM 495 C ALA A 33 19.724 17.366 9.828 1.00 4.10 C ATOM 496 O ALA A 33 19.709 16.223 10.278 1.00 40.14 O ATOM 497 CB ALA A 33 21.256 19.104 10.772 1.00 3.22 C ATOM 0 H ALA A 33 21.178 19.803 8.412 1.00 25.31 H new ATOM 0 HA ALA A 33 21.847 17.378 9.662 1.00 12.22 H new ATOM 0 HB1 ALA A 33 21.221 18.581 11.727 1.00 3.22 H new ATOM 0 HB2 ALA A 33 22.228 19.583 10.656 1.00 3.22 H new ATOM 0 HB3 ALA A 33 20.473 19.862 10.744 1.00 3.22 H new ATOM 503 N LEU A 34 18.624 18.015 9.467 1.00 53.14 N ATOM 504 CA LEU A 34 17.301 17.411 9.592 1.00 63.15 C ATOM 505 C LEU A 34 17.143 16.222 8.644 1.00 74.13 C ATOM 506 O LEU A 34 16.658 15.162 9.040 1.00 75.13 O ATOM 507 CB LEU A 34 16.200 18.453 9.337 1.00 2.44 C ATOM 508 CG LEU A 34 15.758 19.261 10.563 1.00 20.15 C ATOM 509 CD1 LEU A 34 15.299 18.335 11.680 1.00 40.53 C ATOM 510 CD2 LEU A 34 16.873 20.167 11.049 1.00 2.14 C ATOM 0 H LEU A 34 18.621 18.961 9.085 1.00 53.14 H new ATOM 0 HA LEU A 34 17.199 17.043 10.613 1.00 63.15 H new ATOM 0 HB2 LEU A 34 16.551 19.147 8.574 1.00 2.44 H new ATOM 0 HB3 LEU A 34 15.329 17.942 8.927 1.00 2.44 H new ATOM 0 HG LEU A 34 14.917 19.888 10.266 1.00 20.15 H new ATOM 0 HD11 LEU A 34 14.990 18.928 12.540 1.00 40.53 H new ATOM 0 HD12 LEU A 34 14.458 17.734 11.332 1.00 40.53 H new ATOM 0 HD13 LEU A 34 16.120 17.678 11.968 1.00 40.53 H new ATOM 0 HD21 LEU A 34 16.533 20.728 11.919 1.00 2.14 H new ATOM 0 HD22 LEU A 34 17.739 19.564 11.322 1.00 2.14 H new ATOM 0 HD23 LEU A 34 17.150 20.861 10.255 1.00 2.14 H new ATOM 522 N LEU A 35 17.567 16.396 7.400 1.00 33.13 N ATOM 523 CA LEU A 35 17.446 15.343 6.398 1.00 40.52 C ATOM 524 C LEU A 35 18.374 14.168 6.693 1.00 5.24 C ATOM 525 O LEU A 35 18.010 13.019 6.461 1.00 72.35 O ATOM 526 CB LEU A 35 17.731 15.887 4.998 1.00 55.52 C ATOM 527 CG LEU A 35 16.696 16.870 4.449 1.00 3.21 C ATOM 528 CD1 LEU A 35 17.083 17.310 3.046 1.00 51.22 C ATOM 529 CD2 LEU A 35 15.310 16.243 4.446 1.00 64.40 C ATOM 0 H LEU A 35 17.998 17.255 7.059 1.00 33.13 H new ATOM 0 HA LEU A 35 16.418 14.982 6.440 1.00 40.52 H new ATOM 0 HB2 LEU A 35 18.703 16.379 5.010 1.00 55.52 H new ATOM 0 HB3 LEU A 35 17.808 15.046 4.309 1.00 55.52 H new ATOM 0 HG LEU A 35 16.673 17.746 5.097 1.00 3.21 H new ATOM 0 HD11 LEU A 35 16.339 18.010 2.666 1.00 51.22 H new ATOM 0 HD12 LEU A 35 18.058 17.797 3.073 1.00 51.22 H new ATOM 0 HD13 LEU A 35 17.130 16.439 2.392 1.00 51.22 H new ATOM 0 HD21 LEU A 35 14.588 16.958 4.052 1.00 64.40 H new ATOM 0 HD22 LEU A 35 15.316 15.351 3.820 1.00 64.40 H new ATOM 0 HD23 LEU A 35 15.032 15.970 5.464 1.00 64.40 H new ATOM 541 N CYS A 36 19.564 14.458 7.208 1.00 33.14 N ATOM 542 CA CYS A 36 20.559 13.421 7.478 1.00 11.42 C ATOM 543 C CYS A 36 20.096 12.489 8.595 1.00 12.21 C ATOM 544 O CYS A 36 20.566 11.357 8.709 1.00 70.34 O ATOM 545 CB CYS A 36 21.901 14.055 7.850 1.00 4.50 C ATOM 546 SG CYS A 36 23.276 12.880 7.955 1.00 54.32 S ATOM 0 H CYS A 36 19.865 15.403 7.448 1.00 33.14 H new ATOM 0 HA CYS A 36 20.682 12.831 6.570 1.00 11.42 H new ATOM 0 HB2 CYS A 36 22.146 14.818 7.112 1.00 4.50 H new ATOM 0 HB3 CYS A 36 21.797 14.561 8.810 1.00 4.50 H new ATOM 0 HG CYS A 36 22.827 11.719 8.332 1.00 54.32 H new ATOM 552 N ARG A 37 19.173 12.969 9.417 1.00 51.20 N ATOM 553 CA ARG A 37 18.638 12.168 10.509 1.00 34.43 C ATOM 554 C ARG A 37 17.484 11.301 10.016 1.00 14.35 C ATOM 555 O ARG A 37 16.973 10.448 10.740 1.00 42.53 O ATOM 556 CB ARG A 37 18.188 13.073 11.656 1.00 32.30 C ATOM 557 CG ARG A 37 19.325 13.895 12.239 1.00 43.23 C ATOM 558 CD ARG A 37 18.838 14.909 13.261 1.00 5.05 C ATOM 559 NE ARG A 37 18.263 14.279 14.449 1.00 43.43 N ATOM 560 CZ ARG A 37 18.848 14.288 15.647 1.00 2.44 C ATOM 561 NH1 ARG A 37 20.079 14.767 15.786 1.00 61.42 N ATOM 562 NH2 ARG A 37 18.214 13.791 16.703 1.00 55.24 N ATOM 0 H ARG A 37 18.780 13.908 9.349 1.00 51.20 H new ATOM 0 HA ARG A 37 19.423 11.509 10.880 1.00 34.43 H new ATOM 0 HB2 ARG A 37 17.407 13.744 11.298 1.00 32.30 H new ATOM 0 HB3 ARG A 37 17.747 12.462 12.443 1.00 32.30 H new ATOM 0 HG2 ARG A 37 20.049 13.229 12.708 1.00 43.23 H new ATOM 0 HG3 ARG A 37 19.845 14.415 11.434 1.00 43.23 H new ATOM 0 HD2 ARG A 37 19.670 15.547 13.559 1.00 5.05 H new ATOM 0 HD3 ARG A 37 18.091 15.555 12.799 1.00 5.05 H new ATOM 0 HE ARG A 37 17.364 13.806 14.356 1.00 43.43 H new ATOM 0 HH11 ARG A 37 20.580 15.130 14.975 1.00 61.42 H new ATOM 0 HH12 ARG A 37 20.524 14.772 16.704 1.00 61.42 H new ATOM 0 HH21 ARG A 37 17.277 13.401 16.599 1.00 55.24 H new ATOM 0 HH22 ARG A 37 18.664 13.799 17.618 1.00 55.24 H new ATOM 576 N ARG A 38 17.084 11.524 8.772 1.00 2.53 N ATOM 577 CA ARG A 38 16.036 10.734 8.151 1.00 2.05 C ATOM 578 C ARG A 38 16.614 9.830 7.066 1.00 61.41 C ATOM 579 O ARG A 38 16.373 8.624 7.055 1.00 11.31 O ATOM 580 CB ARG A 38 14.959 11.636 7.540 1.00 23.14 C ATOM 581 CG ARG A 38 13.928 10.871 6.720 1.00 24.55 C ATOM 582 CD ARG A 38 12.879 10.189 7.589 1.00 5.44 C ATOM 583 NE ARG A 38 13.440 9.244 8.558 1.00 52.14 N ATOM 584 CZ ARG A 38 12.744 8.724 9.574 1.00 24.15 C ATOM 585 NH1 ARG A 38 11.457 9.019 9.725 1.00 53.54 N ATOM 586 NH2 ARG A 38 13.332 7.899 10.426 1.00 25.01 N ATOM 0 H ARG A 38 17.474 12.251 8.172 1.00 2.53 H new ATOM 0 HA ARG A 38 15.583 10.118 8.928 1.00 2.05 H new ATOM 0 HB2 ARG A 38 14.450 12.175 8.339 1.00 23.14 H new ATOM 0 HB3 ARG A 38 15.437 12.382 6.905 1.00 23.14 H new ATOM 0 HG2 ARG A 38 13.434 11.557 6.032 1.00 24.55 H new ATOM 0 HG3 ARG A 38 14.435 10.121 6.113 1.00 24.55 H new ATOM 0 HD2 ARG A 38 12.312 10.951 8.124 1.00 5.44 H new ATOM 0 HD3 ARG A 38 12.175 9.661 6.946 1.00 5.44 H new ATOM 0 HE ARG A 38 14.416 8.967 8.451 1.00 52.14 H new ATOM 0 HH11 ARG A 38 10.996 9.645 9.064 1.00 53.54 H new ATOM 0 HH12 ARG A 38 10.930 8.620 10.502 1.00 53.54 H new ATOM 0 HH21 ARG A 38 14.316 7.660 10.307 1.00 25.01 H new ATOM 0 HH22 ARG A 38 12.801 7.502 11.201 1.00 25.01 H new ATOM 600 N LEU A 39 17.367 10.426 6.158 1.00 65.23 N ATOM 601 CA LEU A 39 17.915 9.708 5.020 1.00 20.15 C ATOM 602 C LEU A 39 19.437 9.682 5.093 1.00 65.21 C ATOM 603 O LEU A 39 20.029 10.245 6.014 1.00 43.15 O ATOM 604 CB LEU A 39 17.454 10.364 3.715 1.00 10.31 C ATOM 605 CG LEU A 39 15.936 10.413 3.515 1.00 51.21 C ATOM 606 CD1 LEU A 39 15.591 11.169 2.244 1.00 2.22 C ATOM 607 CD2 LEU A 39 15.359 9.008 3.471 1.00 20.33 C ATOM 0 H LEU A 39 17.615 11.415 6.188 1.00 65.23 H new ATOM 0 HA LEU A 39 17.551 8.681 5.044 1.00 20.15 H new ATOM 0 HB2 LEU A 39 17.843 11.382 3.681 1.00 10.31 H new ATOM 0 HB3 LEU A 39 17.898 9.825 2.878 1.00 10.31 H new ATOM 0 HG LEU A 39 15.494 10.941 4.361 1.00 51.21 H new ATOM 0 HD11 LEU A 39 14.509 11.194 2.118 1.00 2.22 H new ATOM 0 HD12 LEU A 39 15.972 12.188 2.312 1.00 2.22 H new ATOM 0 HD13 LEU A 39 16.045 10.668 1.388 1.00 2.22 H new ATOM 0 HD21 LEU A 39 14.280 9.062 3.328 1.00 20.33 H new ATOM 0 HD22 LEU A 39 15.807 8.456 2.644 1.00 20.33 H new ATOM 0 HD23 LEU A 39 15.576 8.496 4.409 1.00 20.33 H new ATOM 619 N SER A 40 20.068 9.032 4.129 1.00 0.33 N ATOM 620 CA SER A 40 21.514 8.898 4.134 1.00 2.24 C ATOM 621 C SER A 40 22.190 10.100 3.472 1.00 60.02 C ATOM 622 O SER A 40 21.531 10.973 2.881 1.00 20.13 O ATOM 623 CB SER A 40 21.920 7.605 3.424 1.00 31.30 C ATOM 624 OG SER A 40 21.126 6.517 3.864 1.00 44.04 O ATOM 0 H SER A 40 19.603 8.590 3.336 1.00 0.33 H new ATOM 0 HA SER A 40 21.846 8.860 5.171 1.00 2.24 H new ATOM 0 HB2 SER A 40 21.812 7.727 2.346 1.00 31.30 H new ATOM 0 HB3 SER A 40 22.972 7.394 3.617 1.00 31.30 H new ATOM 0 HG SER A 40 20.285 6.501 3.361 1.00 44.04 H new ATOM 630 N HIS A 41 23.517 10.119 3.549 1.00 13.31 N ATOM 631 CA HIS A 41 24.306 11.229 3.039 1.00 75.25 C ATOM 632 C HIS A 41 24.234 11.274 1.521 1.00 41.11 C ATOM 633 O HIS A 41 24.403 12.328 0.918 1.00 41.13 O ATOM 634 CB HIS A 41 25.770 11.123 3.493 1.00 10.05 C ATOM 635 CG HIS A 41 25.955 11.142 4.983 1.00 74.22 C ATOM 636 ND1 HIS A 41 26.739 12.071 5.637 1.00 64.11 N ATOM 637 CD2 HIS A 41 25.471 10.321 5.949 1.00 31.41 C ATOM 638 CE1 HIS A 41 26.729 11.816 6.932 1.00 64.54 C ATOM 639 NE2 HIS A 41 25.968 10.762 7.147 1.00 43.23 N ATOM 0 H HIS A 41 24.070 9.369 3.964 1.00 13.31 H new ATOM 0 HA HIS A 41 23.889 12.151 3.444 1.00 75.25 H new ATOM 0 HB2 HIS A 41 26.196 10.201 3.097 1.00 10.05 H new ATOM 0 HB3 HIS A 41 26.334 11.948 3.057 1.00 10.05 H new ATOM 0 HD1 HIS A 41 27.246 12.835 5.190 1.00 64.11 H new ATOM 0 HD2 HIS A 41 24.815 9.476 5.801 1.00 31.41 H new ATOM 0 HE1 HIS A 41 27.256 12.377 7.689 1.00 64.54 H new ATOM 648 N ASP A 42 23.984 10.126 0.907 1.00 23.54 N ATOM 649 CA ASP A 42 23.804 10.066 -0.536 1.00 0.05 C ATOM 650 C ASP A 42 22.478 10.700 -0.931 1.00 12.44 C ATOM 651 O ASP A 42 22.415 11.478 -1.881 1.00 21.11 O ATOM 652 CB ASP A 42 23.867 8.627 -1.042 1.00 61.05 C ATOM 653 CG ASP A 42 23.618 8.536 -2.536 1.00 60.32 C ATOM 654 OD1 ASP A 42 24.491 8.963 -3.319 1.00 11.00 O ATOM 655 OD2 ASP A 42 22.541 8.042 -2.936 1.00 63.43 O ATOM 0 H ASP A 42 23.902 9.228 1.383 1.00 23.54 H new ATOM 0 HA ASP A 42 24.618 10.625 -0.998 1.00 0.05 H new ATOM 0 HB2 ASP A 42 24.845 8.205 -0.812 1.00 61.05 H new ATOM 0 HB3 ASP A 42 23.127 8.025 -0.514 1.00 61.05 H new ATOM 660 N GLU A 43 21.419 10.373 -0.196 1.00 14.52 N ATOM 661 CA GLU A 43 20.113 10.973 -0.437 1.00 51.01 C ATOM 662 C GLU A 43 20.182 12.489 -0.309 1.00 73.32 C ATOM 663 O GLU A 43 19.706 13.211 -1.190 1.00 20.03 O ATOM 664 CB GLU A 43 19.048 10.426 0.520 1.00 51.22 C ATOM 665 CG GLU A 43 18.671 8.971 0.278 1.00 54.12 C ATOM 666 CD GLU A 43 19.573 7.995 1.001 1.00 74.12 C ATOM 667 OE1 GLU A 43 20.751 7.867 0.619 1.00 44.24 O ATOM 668 OE2 GLU A 43 19.105 7.356 1.971 1.00 43.22 O ATOM 0 H GLU A 43 21.440 9.698 0.569 1.00 14.52 H new ATOM 0 HA GLU A 43 19.826 10.709 -1.455 1.00 51.01 H new ATOM 0 HB2 GLU A 43 19.409 10.529 1.543 1.00 51.22 H new ATOM 0 HB3 GLU A 43 18.151 11.040 0.435 1.00 51.22 H new ATOM 0 HG2 GLU A 43 17.642 8.811 0.598 1.00 54.12 H new ATOM 0 HG3 GLU A 43 18.707 8.766 -0.792 1.00 54.12 H new ATOM 675 N VAL A 44 20.778 12.978 0.778 1.00 12.04 N ATOM 676 CA VAL A 44 20.899 14.422 0.965 1.00 64.12 C ATOM 677 C VAL A 44 21.812 15.034 -0.105 1.00 44.32 C ATOM 678 O VAL A 44 21.549 16.133 -0.605 1.00 4.42 O ATOM 679 CB VAL A 44 21.396 14.802 2.382 1.00 64.34 C ATOM 680 CG1 VAL A 44 20.442 14.274 3.439 1.00 55.54 C ATOM 681 CG2 VAL A 44 22.804 14.294 2.639 1.00 41.02 C ATOM 0 H VAL A 44 21.176 12.410 1.526 1.00 12.04 H new ATOM 0 HA VAL A 44 19.896 14.836 0.858 1.00 64.12 H new ATOM 0 HB VAL A 44 21.422 15.890 2.440 1.00 64.34 H new ATOM 0 HG11 VAL A 44 20.806 14.550 4.429 1.00 55.54 H new ATOM 0 HG12 VAL A 44 19.453 14.704 3.284 1.00 55.54 H new ATOM 0 HG13 VAL A 44 20.381 13.188 3.365 1.00 55.54 H new ATOM 0 HG21 VAL A 44 23.117 14.581 3.643 1.00 41.02 H new ATOM 0 HG22 VAL A 44 22.821 13.208 2.550 1.00 41.02 H new ATOM 0 HG23 VAL A 44 23.487 14.729 1.909 1.00 41.02 H new ATOM 691 N LYS A 45 22.862 14.300 -0.478 1.00 40.31 N ATOM 692 CA LYS A 45 23.766 14.719 -1.545 1.00 12.13 C ATOM 693 C LYS A 45 23.002 14.864 -2.859 1.00 13.43 C ATOM 694 O LYS A 45 23.180 15.841 -3.587 1.00 15.20 O ATOM 695 CB LYS A 45 24.931 13.708 -1.677 1.00 61.33 C ATOM 696 CG LYS A 45 25.753 13.823 -2.957 1.00 2.02 C ATOM 697 CD LYS A 45 25.238 12.884 -4.039 1.00 33.13 C ATOM 698 CE LYS A 45 26.131 12.899 -5.269 1.00 75.13 C ATOM 699 NZ LYS A 45 25.626 11.987 -6.329 1.00 24.32 N ATOM 0 H LYS A 45 23.106 13.406 -0.052 1.00 40.31 H new ATOM 0 HA LYS A 45 24.189 15.693 -1.297 1.00 12.13 H new ATOM 0 HB2 LYS A 45 25.598 13.834 -0.824 1.00 61.33 H new ATOM 0 HB3 LYS A 45 24.523 12.699 -1.616 1.00 61.33 H new ATOM 0 HG2 LYS A 45 25.721 14.850 -3.320 1.00 2.02 H new ATOM 0 HG3 LYS A 45 26.797 13.594 -2.742 1.00 2.02 H new ATOM 0 HD2 LYS A 45 25.181 11.870 -3.643 1.00 33.13 H new ATOM 0 HD3 LYS A 45 24.226 13.174 -4.321 1.00 33.13 H new ATOM 0 HE2 LYS A 45 26.192 13.914 -5.662 1.00 75.13 H new ATOM 0 HE3 LYS A 45 27.142 12.605 -4.988 1.00 75.13 H new ATOM 0 HZ1 LYS A 45 26.262 12.025 -7.151 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 25.592 11.014 -5.963 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 24.671 12.283 -6.616 1.00 24.32 H new ATOM 713 N ALA A 46 22.134 13.900 -3.137 1.00 24.01 N ATOM 714 CA ALA A 46 21.363 13.888 -4.372 1.00 74.23 C ATOM 715 C ALA A 46 20.383 15.056 -4.436 1.00 34.34 C ATOM 716 O ALA A 46 20.363 15.801 -5.418 1.00 23.14 O ATOM 717 CB ALA A 46 20.621 12.567 -4.516 1.00 34.25 C ATOM 0 H ALA A 46 21.946 13.111 -2.518 1.00 24.01 H new ATOM 0 HA ALA A 46 22.062 13.998 -5.201 1.00 74.23 H new ATOM 0 HB1 ALA A 46 20.048 12.571 -5.443 1.00 34.25 H new ATOM 0 HB2 ALA A 46 21.339 11.747 -4.536 1.00 34.25 H new ATOM 0 HB3 ALA A 46 19.944 12.436 -3.672 1.00 34.25 H new ATOM 723 N VAL A 47 19.578 15.221 -3.388 1.00 63.11 N ATOM 724 CA VAL A 47 18.554 16.265 -3.377 1.00 5.15 C ATOM 725 C VAL A 47 19.182 17.662 -3.397 1.00 71.40 C ATOM 726 O VAL A 47 18.710 18.551 -4.116 1.00 3.44 O ATOM 727 CB VAL A 47 17.588 16.118 -2.170 1.00 52.11 C ATOM 728 CG1 VAL A 47 18.318 16.241 -0.841 1.00 2.14 C ATOM 729 CG2 VAL A 47 16.458 17.134 -2.257 1.00 1.32 C ATOM 0 H VAL A 47 19.613 14.651 -2.543 1.00 63.11 H new ATOM 0 HA VAL A 47 17.967 16.141 -4.287 1.00 5.15 H new ATOM 0 HB VAL A 47 17.161 15.116 -2.217 1.00 52.11 H new ATOM 0 HG11 VAL A 47 17.606 16.132 -0.023 1.00 2.14 H new ATOM 0 HG12 VAL A 47 19.076 15.461 -0.768 1.00 2.14 H new ATOM 0 HG13 VAL A 47 18.796 17.218 -0.778 1.00 2.14 H new ATOM 0 HG21 VAL A 47 15.793 17.013 -1.402 1.00 1.32 H new ATOM 0 HG22 VAL A 47 16.874 18.142 -2.254 1.00 1.32 H new ATOM 0 HG23 VAL A 47 15.897 16.976 -3.178 1.00 1.32 H new ATOM 739 N ALA A 48 20.262 17.848 -2.640 1.00 53.54 N ATOM 740 CA ALA A 48 20.940 19.137 -2.596 1.00 3.21 C ATOM 741 C ALA A 48 21.530 19.479 -3.958 1.00 22.54 C ATOM 742 O ALA A 48 21.360 20.594 -4.456 1.00 13.30 O ATOM 743 CB ALA A 48 22.025 19.137 -1.530 1.00 15.11 C ATOM 0 H ALA A 48 20.682 17.127 -2.054 1.00 53.54 H new ATOM 0 HA ALA A 48 20.206 19.900 -2.338 1.00 3.21 H new ATOM 0 HB1 ALA A 48 22.519 20.109 -1.514 1.00 15.11 H new ATOM 0 HB2 ALA A 48 21.578 18.941 -0.556 1.00 15.11 H new ATOM 0 HB3 ALA A 48 22.757 18.362 -1.756 1.00 15.11 H new ATOM 749 N ASN A 49 22.202 18.503 -4.563 1.00 73.23 N ATOM 750 CA ASN A 49 22.809 18.682 -5.878 1.00 11.34 C ATOM 751 C ASN A 49 21.757 19.071 -6.908 1.00 21.14 C ATOM 752 O ASN A 49 21.931 20.039 -7.646 1.00 34.35 O ATOM 753 CB ASN A 49 23.525 17.400 -6.316 1.00 24.22 C ATOM 754 CG ASN A 49 24.106 17.494 -7.718 1.00 72.24 C ATOM 755 OD1 ASN A 49 23.459 17.124 -8.700 1.00 13.43 O ATOM 756 ND2 ASN A 49 25.331 17.987 -7.818 1.00 34.41 N ATOM 0 H ASN A 49 22.340 17.576 -4.161 1.00 73.23 H new ATOM 0 HA ASN A 49 23.540 19.487 -5.808 1.00 11.34 H new ATOM 0 HB2 ASN A 49 24.326 17.179 -5.611 1.00 24.22 H new ATOM 0 HB3 ASN A 49 22.824 16.566 -6.274 1.00 24.22 H new ATOM 0 HD21 ASN A 49 25.773 18.072 -8.733 1.00 34.41 H new ATOM 0 HD22 ASN A 49 25.832 18.282 -6.980 1.00 34.41 H new ATOM 763 N GLU A 50 20.657 18.328 -6.930 1.00 63.12 N ATOM 764 CA GLU A 50 19.571 18.575 -7.870 1.00 22.12 C ATOM 765 C GLU A 50 19.012 19.989 -7.722 1.00 22.40 C ATOM 766 O GLU A 50 18.965 20.759 -8.685 1.00 61.11 O ATOM 767 CB GLU A 50 18.449 17.559 -7.648 1.00 3.54 C ATOM 768 CG GLU A 50 17.220 17.818 -8.501 1.00 54.34 C ATOM 769 CD GLU A 50 17.484 17.613 -9.980 1.00 12.15 C ATOM 770 OE1 GLU A 50 18.062 18.513 -10.620 1.00 13.25 O ATOM 771 OE2 GLU A 50 17.127 16.541 -10.511 1.00 72.03 O ATOM 0 H GLU A 50 20.493 17.542 -6.301 1.00 63.12 H new ATOM 0 HA GLU A 50 19.973 18.470 -8.878 1.00 22.12 H new ATOM 0 HB2 GLU A 50 18.827 16.560 -7.863 1.00 3.54 H new ATOM 0 HB3 GLU A 50 18.161 17.571 -6.597 1.00 3.54 H new ATOM 0 HG2 GLU A 50 16.416 17.154 -8.184 1.00 54.34 H new ATOM 0 HG3 GLU A 50 16.875 18.839 -8.335 1.00 54.34 H new ATOM 778 N LEU A 51 18.615 20.334 -6.503 1.00 72.23 N ATOM 779 CA LEU A 51 17.952 21.606 -6.250 1.00 55.41 C ATOM 780 C LEU A 51 18.897 22.772 -6.561 1.00 24.41 C ATOM 781 O LEU A 51 18.479 23.799 -7.105 1.00 62.31 O ATOM 782 CB LEU A 51 17.472 21.649 -4.793 1.00 14.10 C ATOM 783 CG LEU A 51 16.169 22.423 -4.519 1.00 34.30 C ATOM 784 CD1 LEU A 51 16.308 23.900 -4.855 1.00 63.41 C ATOM 785 CD2 LEU A 51 15.011 21.812 -5.291 1.00 30.24 C ATOM 0 H LEU A 51 18.741 19.751 -5.676 1.00 72.23 H new ATOM 0 HA LEU A 51 17.085 21.703 -6.904 1.00 55.41 H new ATOM 0 HB2 LEU A 51 17.338 20.624 -4.448 1.00 14.10 H new ATOM 0 HB3 LEU A 51 18.264 22.089 -4.186 1.00 14.10 H new ATOM 0 HG LEU A 51 15.962 22.345 -3.452 1.00 34.30 H new ATOM 0 HD11 LEU A 51 15.367 24.410 -4.648 1.00 63.41 H new ATOM 0 HD12 LEU A 51 17.100 24.338 -4.248 1.00 63.41 H new ATOM 0 HD13 LEU A 51 16.556 24.011 -5.911 1.00 63.41 H new ATOM 0 HD21 LEU A 51 14.100 22.373 -5.084 1.00 30.24 H new ATOM 0 HD22 LEU A 51 15.226 21.850 -6.359 1.00 30.24 H new ATOM 0 HD23 LEU A 51 14.876 20.775 -4.984 1.00 30.24 H new ATOM 797 N MET A 52 20.175 22.602 -6.241 1.00 34.31 N ATOM 798 CA MET A 52 21.168 23.639 -6.505 1.00 22.22 C ATOM 799 C MET A 52 21.509 23.724 -7.987 1.00 41.23 C ATOM 800 O MET A 52 21.749 24.813 -8.507 1.00 64.42 O ATOM 801 CB MET A 52 22.438 23.399 -5.693 1.00 43.15 C ATOM 802 CG MET A 52 22.283 23.736 -4.224 1.00 23.10 C ATOM 803 SD MET A 52 23.825 23.584 -3.311 1.00 2.50 S ATOM 804 CE MET A 52 23.293 24.169 -1.710 1.00 45.22 C ATOM 0 H MET A 52 20.547 21.761 -5.801 1.00 34.31 H new ATOM 0 HA MET A 52 20.728 24.589 -6.201 1.00 22.22 H new ATOM 0 HB2 MET A 52 22.731 22.353 -5.790 1.00 43.15 H new ATOM 0 HB3 MET A 52 23.247 23.997 -6.112 1.00 43.15 H new ATOM 0 HG2 MET A 52 21.907 24.754 -4.127 1.00 23.10 H new ATOM 0 HG3 MET A 52 21.537 23.077 -3.781 1.00 23.10 H new ATOM 0 HE1 MET A 52 24.132 24.141 -1.015 1.00 45.22 H new ATOM 0 HE2 MET A 52 22.929 25.193 -1.799 1.00 45.22 H new ATOM 0 HE3 MET A 52 22.492 23.531 -1.337 1.00 45.22 H new ATOM 814 N ARG A 53 21.517 22.579 -8.664 1.00 0.12 N ATOM 815 CA ARG A 53 21.805 22.532 -10.096 1.00 31.34 C ATOM 816 C ARG A 53 20.771 23.337 -10.878 1.00 53.14 C ATOM 817 O ARG A 53 21.092 23.984 -11.875 1.00 11.32 O ATOM 818 CB ARG A 53 21.822 21.082 -10.588 1.00 43.45 C ATOM 819 CG ARG A 53 22.092 20.944 -12.076 1.00 71.50 C ATOM 820 CD ARG A 53 22.087 19.490 -12.515 1.00 51.30 C ATOM 821 NE ARG A 53 20.801 18.837 -12.265 1.00 54.25 N ATOM 822 CZ ARG A 53 20.322 17.832 -12.998 1.00 53.43 C ATOM 823 NH1 ARG A 53 20.972 17.422 -14.083 1.00 52.52 N ATOM 824 NH2 ARG A 53 19.176 17.258 -12.660 1.00 40.44 N ATOM 0 H ARG A 53 21.327 21.669 -8.244 1.00 0.12 H new ATOM 0 HA ARG A 53 22.788 22.973 -10.262 1.00 31.34 H new ATOM 0 HB2 ARG A 53 22.583 20.530 -10.037 1.00 43.45 H new ATOM 0 HB3 ARG A 53 20.863 20.618 -10.358 1.00 43.45 H new ATOM 0 HG2 ARG A 53 21.337 21.496 -12.636 1.00 71.50 H new ATOM 0 HG3 ARG A 53 23.056 21.393 -12.314 1.00 71.50 H new ATOM 0 HD2 ARG A 53 22.320 19.433 -13.578 1.00 51.30 H new ATOM 0 HD3 ARG A 53 22.874 18.951 -11.987 1.00 51.30 H new ATOM 0 HE ARG A 53 20.238 19.171 -11.483 1.00 54.25 H new ATOM 0 HH11 ARG A 53 21.842 17.877 -14.359 1.00 52.52 H new ATOM 0 HH12 ARG A 53 20.600 16.652 -14.640 1.00 52.52 H new ATOM 0 HH21 ARG A 53 18.664 17.586 -11.841 1.00 40.44 H new ATOM 0 HH22 ARG A 53 18.807 16.489 -13.219 1.00 40.44 H new ATOM 838 N LEU A 54 19.534 23.307 -10.395 1.00 71.25 N ATOM 839 CA LEU A 54 18.446 24.049 -11.021 1.00 62.34 C ATOM 840 C LEU A 54 18.698 25.551 -10.879 1.00 22.45 C ATOM 841 O LEU A 54 18.213 26.356 -11.675 1.00 5.15 O ATOM 842 CB LEU A 54 17.113 23.641 -10.366 1.00 64.53 C ATOM 843 CG LEU A 54 15.839 23.951 -11.165 1.00 41.12 C ATOM 844 CD1 LEU A 54 14.711 23.032 -10.725 1.00 41.11 C ATOM 845 CD2 LEU A 54 15.414 25.402 -10.983 1.00 13.34 C ATOM 0 H LEU A 54 19.259 22.775 -9.569 1.00 71.25 H new ATOM 0 HA LEU A 54 18.395 23.815 -12.084 1.00 62.34 H new ATOM 0 HB2 LEU A 54 17.142 22.569 -10.171 1.00 64.53 H new ATOM 0 HB3 LEU A 54 17.040 24.139 -9.399 1.00 64.53 H new ATOM 0 HG LEU A 54 16.056 23.785 -12.220 1.00 41.12 H new ATOM 0 HD11 LEU A 54 13.812 23.260 -11.297 1.00 41.11 H new ATOM 0 HD12 LEU A 54 14.998 21.995 -10.898 1.00 41.11 H new ATOM 0 HD13 LEU A 54 14.513 23.182 -9.664 1.00 41.11 H new ATOM 0 HD21 LEU A 54 14.509 25.591 -11.561 1.00 13.34 H new ATOM 0 HD22 LEU A 54 15.218 25.594 -9.928 1.00 13.34 H new ATOM 0 HD23 LEU A 54 16.210 26.061 -11.330 1.00 13.34 H new ATOM 857 N GLY A 55 19.487 25.919 -9.877 1.00 41.21 N ATOM 858 CA GLY A 55 19.814 27.314 -9.657 1.00 63.30 C ATOM 859 C GLY A 55 18.793 28.005 -8.784 1.00 62.12 C ATOM 860 O GLY A 55 18.781 29.227 -8.676 1.00 34.14 O ATOM 0 H GLY A 55 19.908 25.272 -9.210 1.00 41.21 H new ATOM 0 HA2 GLY A 55 20.797 27.387 -9.192 1.00 63.30 H new ATOM 0 HA3 GLY A 55 19.877 27.827 -10.617 1.00 63.30 H new ATOM 864 N ASP A 56 17.942 27.217 -8.148 1.00 0.02 N ATOM 865 CA ASP A 56 16.877 27.763 -7.318 1.00 15.42 C ATOM 866 C ASP A 56 17.250 27.624 -5.847 1.00 64.31 C ATOM 867 O ASP A 56 16.405 27.677 -4.952 1.00 71.51 O ATOM 868 CB ASP A 56 15.568 27.040 -7.619 1.00 73.02 C ATOM 869 CG ASP A 56 14.353 27.845 -7.218 1.00 5.42 C ATOM 870 OD1 ASP A 56 14.351 29.077 -7.425 1.00 72.25 O ATOM 871 OD2 ASP A 56 13.375 27.244 -6.737 1.00 0.31 O ATOM 0 H ASP A 56 17.966 26.198 -8.189 1.00 0.02 H new ATOM 0 HA ASP A 56 16.744 28.822 -7.541 1.00 15.42 H new ATOM 0 HB2 ASP A 56 15.517 26.818 -8.685 1.00 73.02 H new ATOM 0 HB3 ASP A 56 15.556 26.085 -7.094 1.00 73.02 H new ATOM 876 N PHE A 57 18.543 27.459 -5.623 1.00 41.20 N ATOM 877 CA PHE A 57 19.105 27.293 -4.293 1.00 0.01 C ATOM 878 C PHE A 57 20.349 28.166 -4.204 1.00 54.22 C ATOM 879 O PHE A 57 20.961 28.460 -5.232 1.00 53.24 O ATOM 880 CB PHE A 57 19.483 25.820 -4.085 1.00 1.34 C ATOM 881 CG PHE A 57 19.506 25.342 -2.653 1.00 74.43 C ATOM 882 CD1 PHE A 57 20.302 25.948 -1.687 1.00 34.42 C ATOM 883 CD2 PHE A 57 18.739 24.251 -2.285 1.00 53.03 C ATOM 884 CE1 PHE A 57 20.321 25.474 -0.389 1.00 53.11 C ATOM 885 CE2 PHE A 57 18.754 23.776 -0.991 1.00 74.50 C ATOM 886 CZ PHE A 57 19.546 24.386 -0.041 1.00 15.54 C ATOM 0 H PHE A 57 19.240 27.436 -6.368 1.00 41.20 H new ATOM 0 HA PHE A 57 18.386 27.582 -3.527 1.00 0.01 H new ATOM 0 HB2 PHE A 57 18.780 25.202 -4.643 1.00 1.34 H new ATOM 0 HB3 PHE A 57 20.469 25.653 -4.520 1.00 1.34 H new ATOM 0 HD1 PHE A 57 20.912 26.798 -1.954 1.00 34.42 H new ATOM 0 HD2 PHE A 57 18.119 23.764 -3.023 1.00 53.03 H new ATOM 0 HE1 PHE A 57 20.942 25.955 0.353 1.00 53.11 H new ATOM 0 HE2 PHE A 57 18.145 22.926 -0.721 1.00 74.50 H new ATOM 0 HZ PHE A 57 19.560 24.013 0.973 1.00 15.54 H new ATOM 896 N ASP A 58 20.709 28.597 -3.004 1.00 55.52 N ATOM 897 CA ASP A 58 21.954 29.327 -2.813 1.00 42.31 C ATOM 898 C ASP A 58 23.115 28.439 -3.247 1.00 31.30 C ATOM 899 O ASP A 58 23.308 27.354 -2.695 1.00 23.35 O ATOM 900 CB ASP A 58 22.124 29.727 -1.345 1.00 72.43 C ATOM 901 CG ASP A 58 23.132 30.843 -1.158 1.00 71.31 C ATOM 902 OD1 ASP A 58 24.329 30.639 -1.439 1.00 11.45 O ATOM 903 OD2 ASP A 58 22.720 31.949 -0.748 1.00 3.53 O ATOM 0 H ASP A 58 20.162 28.456 -2.155 1.00 55.52 H new ATOM 0 HA ASP A 58 21.935 30.237 -3.413 1.00 42.31 H new ATOM 0 HB2 ASP A 58 21.160 30.042 -0.944 1.00 72.43 H new ATOM 0 HB3 ASP A 58 22.440 28.857 -0.769 1.00 72.43 H new ATOM 908 N GLN A 59 23.859 28.871 -4.256 1.00 65.13 N ATOM 909 CA GLN A 59 24.924 28.046 -4.805 1.00 61.52 C ATOM 910 C GLN A 59 26.134 28.034 -3.878 1.00 42.02 C ATOM 911 O GLN A 59 26.984 28.925 -3.917 1.00 22.20 O ATOM 912 CB GLN A 59 25.321 28.502 -6.213 1.00 52.04 C ATOM 913 CG GLN A 59 24.174 28.447 -7.212 1.00 33.10 C ATOM 914 CD GLN A 59 24.638 28.572 -8.652 1.00 42.12 C ATOM 915 OE1 GLN A 59 25.730 28.130 -9.009 1.00 43.20 O ATOM 916 NE2 GLN A 59 23.812 29.176 -9.491 1.00 63.24 N ATOM 0 H GLN A 59 23.746 29.779 -4.707 1.00 65.13 H new ATOM 0 HA GLN A 59 24.543 27.028 -4.884 1.00 61.52 H new ATOM 0 HB2 GLN A 59 25.701 29.522 -6.163 1.00 52.04 H new ATOM 0 HB3 GLN A 59 26.137 27.876 -6.573 1.00 52.04 H new ATOM 0 HG2 GLN A 59 23.637 27.507 -7.089 1.00 33.10 H new ATOM 0 HG3 GLN A 59 23.469 29.248 -6.992 1.00 33.10 H new ATOM 0 HE21 GLN A 59 22.915 29.529 -9.158 1.00 63.24 H new ATOM 0 HE22 GLN A 59 24.072 29.288 -10.471 1.00 63.24 H new ATOM 925 N ILE A 60 26.172 27.026 -3.026 1.00 73.33 N ATOM 926 CA ILE A 60 27.257 26.833 -2.077 1.00 52.00 C ATOM 927 C ILE A 60 27.753 25.397 -2.161 1.00 62.32 C ATOM 928 O ILE A 60 27.201 24.594 -2.916 1.00 61.30 O ATOM 929 CB ILE A 60 26.794 27.141 -0.637 1.00 22.03 C ATOM 930 CG1 ILE A 60 25.416 26.515 -0.390 1.00 74.12 C ATOM 931 CG2 ILE A 60 26.771 28.644 -0.394 1.00 12.40 C ATOM 932 CD1 ILE A 60 24.780 26.895 0.928 1.00 34.21 C ATOM 0 H ILE A 60 25.446 26.312 -2.971 1.00 73.33 H new ATOM 0 HA ILE A 60 28.065 27.519 -2.330 1.00 52.00 H new ATOM 0 HB ILE A 60 27.501 26.704 0.068 1.00 22.03 H new ATOM 0 HG12 ILE A 60 24.748 26.809 -1.199 1.00 74.12 H new ATOM 0 HG13 ILE A 60 25.511 25.430 -0.433 1.00 74.12 H new ATOM 0 HG21 ILE A 60 26.442 28.843 0.626 1.00 12.40 H new ATOM 0 HG22 ILE A 60 27.772 29.051 -0.539 1.00 12.40 H new ATOM 0 HG23 ILE A 60 26.083 29.115 -1.095 1.00 12.40 H new ATOM 0 HD11 ILE A 60 23.809 26.407 1.018 1.00 34.21 H new ATOM 0 HD12 ILE A 60 25.424 26.576 1.748 1.00 34.21 H new ATOM 0 HD13 ILE A 60 24.648 27.976 0.970 1.00 34.21 H new ATOM 944 N ASP A 61 28.782 25.063 -1.400 1.00 74.15 N ATOM 945 CA ASP A 61 29.320 23.712 -1.430 1.00 11.11 C ATOM 946 C ASP A 61 28.729 22.860 -0.320 1.00 32.54 C ATOM 947 O ASP A 61 29.162 22.916 0.828 1.00 44.33 O ATOM 948 CB ASP A 61 30.847 23.714 -1.349 1.00 43.43 C ATOM 949 CG ASP A 61 31.491 24.042 -2.681 1.00 44.22 C ATOM 950 OD1 ASP A 61 31.649 23.118 -3.510 1.00 63.43 O ATOM 951 OD2 ASP A 61 31.841 25.221 -2.907 1.00 51.15 O ATOM 0 H ASP A 61 29.257 25.700 -0.761 1.00 74.15 H new ATOM 0 HA ASP A 61 29.035 23.273 -2.386 1.00 11.11 H new ATOM 0 HB2 ASP A 61 31.169 24.441 -0.603 1.00 43.43 H new ATOM 0 HB3 ASP A 61 31.192 22.737 -1.011 1.00 43.43 H new ATOM 956 N ILE A 62 27.716 22.086 -0.674 1.00 1.14 N ATOM 957 CA ILE A 62 27.074 21.176 0.260 1.00 44.54 C ATOM 958 C ILE A 62 27.858 19.872 0.355 1.00 35.03 C ATOM 959 O ILE A 62 28.000 19.301 1.440 1.00 21.22 O ATOM 960 CB ILE A 62 25.608 20.900 -0.161 1.00 53.15 C ATOM 961 CG1 ILE A 62 24.698 22.028 0.328 1.00 34.35 C ATOM 962 CG2 ILE A 62 25.111 19.556 0.350 1.00 21.32 C ATOM 963 CD1 ILE A 62 24.621 22.142 1.836 1.00 32.22 C ATOM 0 H ILE A 62 27.317 22.071 -1.613 1.00 1.14 H new ATOM 0 HA ILE A 62 27.062 21.646 1.243 1.00 44.54 H new ATOM 0 HB ILE A 62 25.580 20.862 -1.250 1.00 53.15 H new ATOM 0 HG12 ILE A 62 25.055 22.973 -0.081 1.00 34.35 H new ATOM 0 HG13 ILE A 62 23.694 21.869 -0.067 1.00 34.35 H new ATOM 0 HG21 ILE A 62 24.080 19.404 0.032 1.00 21.32 H new ATOM 0 HG22 ILE A 62 25.736 18.760 -0.054 1.00 21.32 H new ATOM 0 HG23 ILE A 62 25.161 19.540 1.439 1.00 21.32 H new ATOM 0 HD11 ILE A 62 23.957 22.964 2.105 1.00 32.22 H new ATOM 0 HD12 ILE A 62 24.234 21.212 2.252 1.00 32.22 H new ATOM 0 HD13 ILE A 62 25.616 22.333 2.238 1.00 32.22 H new ATOM 975 N GLY A 63 28.391 19.434 -0.783 1.00 31.43 N ATOM 976 CA GLY A 63 29.129 18.185 -0.850 1.00 52.11 C ATOM 977 C GLY A 63 30.240 18.088 0.176 1.00 31.22 C ATOM 978 O GLY A 63 30.470 17.026 0.742 1.00 14.54 O ATOM 0 H GLY A 63 28.323 19.931 -1.671 1.00 31.43 H new ATOM 0 HA2 GLY A 63 28.438 17.355 -0.706 1.00 52.11 H new ATOM 0 HA3 GLY A 63 29.555 18.076 -1.847 1.00 52.11 H new ATOM 982 N VAL A 64 30.919 19.199 0.432 1.00 13.42 N ATOM 983 CA VAL A 64 32.024 19.207 1.381 1.00 34.32 C ATOM 984 C VAL A 64 31.522 19.064 2.822 1.00 53.31 C ATOM 985 O VAL A 64 32.165 18.423 3.648 1.00 3.43 O ATOM 986 CB VAL A 64 32.892 20.486 1.240 1.00 54.13 C ATOM 987 CG1 VAL A 64 32.091 21.744 1.548 1.00 30.14 C ATOM 988 CG2 VAL A 64 34.125 20.402 2.128 1.00 21.11 C ATOM 0 H VAL A 64 30.725 20.102 -0.002 1.00 13.42 H new ATOM 0 HA VAL A 64 32.650 18.346 1.146 1.00 34.32 H new ATOM 0 HB VAL A 64 33.218 20.549 0.202 1.00 54.13 H new ATOM 0 HG11 VAL A 64 32.732 22.619 1.439 1.00 30.14 H new ATOM 0 HG12 VAL A 64 31.252 21.820 0.856 1.00 30.14 H new ATOM 0 HG13 VAL A 64 31.715 21.695 2.570 1.00 30.14 H new ATOM 0 HG21 VAL A 64 34.719 21.309 2.013 1.00 21.11 H new ATOM 0 HG22 VAL A 64 33.818 20.299 3.169 1.00 21.11 H new ATOM 0 HG23 VAL A 64 34.723 19.538 1.839 1.00 21.11 H new ATOM 998 N VAL A 65 30.360 19.637 3.113 1.00 25.53 N ATOM 999 CA VAL A 65 29.830 19.648 4.473 1.00 41.35 C ATOM 1000 C VAL A 65 29.135 18.328 4.817 1.00 15.00 C ATOM 1001 O VAL A 65 29.254 17.826 5.933 1.00 61.02 O ATOM 1002 CB VAL A 65 28.842 20.819 4.682 1.00 41.42 C ATOM 1003 CG1 VAL A 65 28.358 20.881 6.126 1.00 52.00 C ATOM 1004 CG2 VAL A 65 29.483 22.139 4.283 1.00 63.33 C ATOM 0 H VAL A 65 29.766 20.101 2.426 1.00 25.53 H new ATOM 0 HA VAL A 65 30.682 19.779 5.140 1.00 41.35 H new ATOM 0 HB VAL A 65 27.977 20.643 4.042 1.00 41.42 H new ATOM 0 HG11 VAL A 65 27.665 21.714 6.242 1.00 52.00 H new ATOM 0 HG12 VAL A 65 27.852 19.950 6.380 1.00 52.00 H new ATOM 0 HG13 VAL A 65 29.211 21.023 6.790 1.00 52.00 H new ATOM 0 HG21 VAL A 65 28.772 22.950 4.437 1.00 63.33 H new ATOM 0 HG22 VAL A 65 30.369 22.312 4.893 1.00 63.33 H new ATOM 0 HG23 VAL A 65 29.768 22.102 3.232 1.00 63.33 H new ATOM 1014 N ILE A 66 28.431 17.753 3.849 1.00 60.32 N ATOM 1015 CA ILE A 66 27.644 16.544 4.091 1.00 21.23 C ATOM 1016 C ILE A 66 28.522 15.321 4.332 1.00 32.33 C ATOM 1017 O ILE A 66 28.093 14.354 4.963 1.00 44.40 O ATOM 1018 CB ILE A 66 26.697 16.229 2.920 1.00 4.44 C ATOM 1019 CG1 ILE A 66 27.494 16.034 1.630 1.00 1.10 C ATOM 1020 CG2 ILE A 66 25.672 17.334 2.755 1.00 30.33 C ATOM 1021 CD1 ILE A 66 26.660 15.560 0.467 1.00 22.24 C ATOM 0 H ILE A 66 28.387 18.101 2.891 1.00 60.32 H new ATOM 0 HA ILE A 66 27.062 16.755 4.988 1.00 21.23 H new ATOM 0 HB ILE A 66 26.167 15.302 3.140 1.00 4.44 H new ATOM 0 HG12 ILE A 66 27.972 16.977 1.363 1.00 1.10 H new ATOM 0 HG13 ILE A 66 28.291 15.313 1.812 1.00 1.10 H new ATOM 0 HG21 ILE A 66 25.010 17.095 1.922 1.00 30.33 H new ATOM 0 HG22 ILE A 66 25.086 17.426 3.669 1.00 30.33 H new ATOM 0 HG23 ILE A 66 26.182 18.276 2.554 1.00 30.33 H new ATOM 0 HD11 ILE A 66 27.294 15.445 -0.412 1.00 22.24 H new ATOM 0 HD12 ILE A 66 26.203 14.601 0.714 1.00 22.24 H new ATOM 0 HD13 ILE A 66 25.879 16.291 0.258 1.00 22.24 H new ATOM 1033 N THR A 67 29.731 15.346 3.807 1.00 14.14 N ATOM 1034 CA THR A 67 30.643 14.235 3.980 1.00 50.13 C ATOM 1035 C THR A 67 31.810 14.639 4.882 1.00 71.42 C ATOM 1036 O THR A 67 32.782 13.896 5.044 1.00 32.31 O ATOM 1037 CB THR A 67 31.147 13.726 2.613 1.00 41.24 C ATOM 1038 OG1 THR A 67 31.755 14.797 1.886 1.00 22.32 O ATOM 1039 CG2 THR A 67 29.994 13.143 1.792 1.00 74.34 C ATOM 0 H THR A 67 30.103 16.121 3.259 1.00 14.14 H new ATOM 0 HA THR A 67 30.108 13.418 4.464 1.00 50.13 H new ATOM 0 HB THR A 67 31.883 12.942 2.792 1.00 41.24 H new ATOM 0 HG1 THR A 67 31.064 15.426 1.590 1.00 22.32 H new ATOM 0 HG21 THR A 67 30.372 12.790 0.833 1.00 74.34 H new ATOM 0 HG22 THR A 67 29.546 12.310 2.334 1.00 74.34 H new ATOM 0 HG23 THR A 67 29.241 13.913 1.624 1.00 74.34 H new ATOM 1047 N HIS A 68 31.684 15.821 5.482 1.00 62.10 N ATOM 1048 CA HIS A 68 32.675 16.334 6.422 1.00 75.44 C ATOM 1049 C HIS A 68 32.019 17.361 7.349 1.00 63.13 C ATOM 1050 O HIS A 68 32.136 18.571 7.144 1.00 34.35 O ATOM 1051 CB HIS A 68 33.858 16.962 5.672 1.00 73.14 C ATOM 1052 CG HIS A 68 35.024 17.312 6.546 1.00 52.01 C ATOM 1053 ND1 HIS A 68 35.212 18.560 7.097 1.00 65.54 N ATOM 1054 CD2 HIS A 68 36.079 16.567 6.948 1.00 52.12 C ATOM 1055 CE1 HIS A 68 36.329 18.566 7.797 1.00 12.54 C ATOM 1056 NE2 HIS A 68 36.877 17.369 7.724 1.00 54.52 N ATOM 0 H HIS A 68 30.894 16.448 5.330 1.00 62.10 H new ATOM 0 HA HIS A 68 33.058 15.507 7.021 1.00 75.44 H new ATOM 0 HB2 HIS A 68 34.192 16.270 4.899 1.00 73.14 H new ATOM 0 HB3 HIS A 68 33.515 17.864 5.165 1.00 73.14 H new ATOM 0 HD2 HIS A 68 36.260 15.531 6.703 1.00 52.12 H new ATOM 0 HE1 HIS A 68 36.728 19.410 8.340 1.00 12.54 H new ATOM 0 HE2 HIS A 68 37.749 17.086 8.170 1.00 54.52 H new ATOM 1065 N PHE A 69 31.300 16.862 8.349 1.00 30.31 N ATOM 1066 CA PHE A 69 30.541 17.715 9.264 1.00 22.22 C ATOM 1067 C PHE A 69 31.435 18.453 10.254 1.00 3.34 C ATOM 1068 O PHE A 69 32.648 18.241 10.309 1.00 14.12 O ATOM 1069 CB PHE A 69 29.519 16.888 10.048 1.00 5.11 C ATOM 1070 CG PHE A 69 28.307 16.496 9.259 1.00 12.44 C ATOM 1071 CD1 PHE A 69 27.196 17.323 9.225 1.00 75.14 C ATOM 1072 CD2 PHE A 69 28.270 15.302 8.563 1.00 70.53 C ATOM 1073 CE1 PHE A 69 26.073 16.965 8.509 1.00 11.41 C ATOM 1074 CE2 PHE A 69 27.149 14.939 7.846 1.00 1.20 C ATOM 1075 CZ PHE A 69 26.049 15.771 7.819 1.00 61.22 C ATOM 0 H PHE A 69 31.225 15.865 8.549 1.00 30.31 H new ATOM 0 HA PHE A 69 30.035 18.455 8.644 1.00 22.22 H new ATOM 0 HB2 PHE A 69 30.006 15.985 10.417 1.00 5.11 H new ATOM 0 HB3 PHE A 69 29.201 17.458 10.921 1.00 5.11 H new ATOM 0 HD1 PHE A 69 27.210 18.258 9.765 1.00 75.14 H new ATOM 0 HD2 PHE A 69 29.128 14.646 8.581 1.00 70.53 H new ATOM 0 HE1 PHE A 69 25.214 17.619 8.489 1.00 11.41 H new ATOM 0 HE2 PHE A 69 27.132 14.004 7.306 1.00 1.20 H new ATOM 0 HZ PHE A 69 25.170 15.488 7.258 1.00 61.22 H new ATOM 1085 N THR A 70 30.814 19.330 11.027 1.00 73.34 N ATOM 1086 CA THR A 70 31.481 20.038 12.103 1.00 1.43 C ATOM 1087 C THR A 70 30.528 20.122 13.298 1.00 12.24 C ATOM 1088 O THR A 70 29.312 20.107 13.119 1.00 70.15 O ATOM 1089 CB THR A 70 31.895 21.451 11.635 1.00 44.13 C ATOM 1090 OG1 THR A 70 32.673 21.344 10.435 1.00 53.25 O ATOM 1091 CG2 THR A 70 32.708 22.181 12.695 1.00 54.12 C ATOM 0 H THR A 70 29.828 19.570 10.923 1.00 73.34 H new ATOM 0 HA THR A 70 32.385 19.504 12.396 1.00 1.43 H new ATOM 0 HB THR A 70 30.986 22.024 11.452 1.00 44.13 H new ATOM 0 HG1 THR A 70 32.936 22.239 10.135 1.00 53.25 H new ATOM 0 HG21 THR A 70 32.980 23.171 12.328 1.00 54.12 H new ATOM 0 HG22 THR A 70 32.114 22.282 13.604 1.00 54.12 H new ATOM 0 HG23 THR A 70 33.613 21.614 12.914 1.00 54.12 H new ATOM 1099 N ASP A 71 31.065 20.208 14.511 1.00 4.40 N ATOM 1100 CA ASP A 71 30.228 20.198 15.712 1.00 51.42 C ATOM 1101 C ASP A 71 29.761 21.603 16.079 1.00 70.43 C ATOM 1102 O ASP A 71 29.176 21.823 17.141 1.00 25.34 O ATOM 1103 CB ASP A 71 30.973 19.569 16.896 1.00 3.12 C ATOM 1104 CG ASP A 71 31.207 18.081 16.718 1.00 32.33 C ATOM 1105 OD1 ASP A 71 30.244 17.300 16.861 1.00 43.24 O ATOM 1106 OD2 ASP A 71 32.360 17.683 16.440 1.00 55.22 O ATOM 0 H ASP A 71 32.066 20.285 14.691 1.00 4.40 H new ATOM 0 HA ASP A 71 29.350 19.593 15.487 1.00 51.42 H new ATOM 0 HB2 ASP A 71 31.932 20.071 17.024 1.00 3.12 H new ATOM 0 HB3 ASP A 71 30.402 19.736 17.809 1.00 3.12 H new ATOM 1111 N GLU A 72 30.013 22.551 15.190 1.00 53.51 N ATOM 1112 CA GLU A 72 29.605 23.930 15.409 1.00 25.43 C ATOM 1113 C GLU A 72 28.682 24.393 14.282 1.00 33.41 C ATOM 1114 O GLU A 72 27.762 25.183 14.496 1.00 73.40 O ATOM 1115 CB GLU A 72 30.836 24.830 15.501 1.00 22.45 C ATOM 1116 CG GLU A 72 30.527 26.234 15.987 1.00 12.13 C ATOM 1117 CD GLU A 72 31.765 27.092 16.094 1.00 21.13 C ATOM 1118 OE1 GLU A 72 32.448 27.025 17.136 1.00 34.31 O ATOM 1119 OE2 GLU A 72 32.061 27.832 15.134 1.00 21.12 O ATOM 0 H GLU A 72 30.499 22.390 14.308 1.00 53.51 H new ATOM 0 HA GLU A 72 29.057 23.994 16.349 1.00 25.43 H new ATOM 0 HB2 GLU A 72 31.561 24.373 16.175 1.00 22.45 H new ATOM 0 HB3 GLU A 72 31.306 24.890 14.520 1.00 22.45 H new ATOM 0 HG2 GLU A 72 29.820 26.705 15.304 1.00 12.13 H new ATOM 0 HG3 GLU A 72 30.041 26.180 16.961 1.00 12.13 H new ATOM 1126 N LEU A 73 28.947 23.900 13.078 1.00 73.25 N ATOM 1127 CA LEU A 73 28.100 24.168 11.923 1.00 13.42 C ATOM 1128 C LEU A 73 27.676 22.849 11.292 1.00 3.21 C ATOM 1129 O LEU A 73 28.527 22.018 10.969 1.00 21.12 O ATOM 1130 CB LEU A 73 28.823 25.030 10.877 1.00 45.25 C ATOM 1131 CG LEU A 73 28.946 26.526 11.201 1.00 34.40 C ATOM 1132 CD1 LEU A 73 30.007 26.778 12.261 1.00 1.43 C ATOM 1133 CD2 LEU A 73 29.257 27.316 9.940 1.00 14.24 C ATOM 0 H LEU A 73 29.751 23.306 12.876 1.00 73.25 H new ATOM 0 HA LEU A 73 27.225 24.721 12.265 1.00 13.42 H new ATOM 0 HB2 LEU A 73 29.825 24.627 10.734 1.00 45.25 H new ATOM 0 HB3 LEU A 73 28.299 24.927 9.927 1.00 45.25 H new ATOM 0 HG LEU A 73 27.989 26.862 11.601 1.00 34.40 H new ATOM 0 HD11 LEU A 73 30.069 27.847 12.467 1.00 1.43 H new ATOM 0 HD12 LEU A 73 29.742 26.247 13.175 1.00 1.43 H new ATOM 0 HD13 LEU A 73 30.972 26.421 11.902 1.00 1.43 H new ATOM 0 HD21 LEU A 73 29.341 28.375 10.185 1.00 14.24 H new ATOM 0 HD22 LEU A 73 30.197 26.966 9.514 1.00 14.24 H new ATOM 0 HD23 LEU A 73 28.456 27.174 9.215 1.00 14.24 H new ATOM 1145 N PRO A 74 26.365 22.630 11.099 1.00 15.30 N ATOM 1146 CA PRO A 74 25.319 23.620 11.405 1.00 74.21 C ATOM 1147 C PRO A 74 25.080 23.780 12.907 1.00 3.21 C ATOM 1148 O PRO A 74 25.331 22.860 13.685 1.00 20.44 O ATOM 1149 CB PRO A 74 24.085 23.021 10.729 1.00 52.45 C ATOM 1150 CG PRO A 74 24.315 21.554 10.788 1.00 33.51 C ATOM 1151 CD PRO A 74 25.793 21.373 10.580 1.00 1.34 C ATOM 0 HA PRO A 74 25.582 24.619 11.059 1.00 74.21 H new ATOM 0 HB2 PRO A 74 23.170 23.302 11.250 1.00 52.45 H new ATOM 0 HB3 PRO A 74 23.986 23.368 9.700 1.00 52.45 H new ATOM 0 HG2 PRO A 74 24.000 21.145 11.748 1.00 33.51 H new ATOM 0 HG3 PRO A 74 23.743 21.035 10.018 1.00 33.51 H new ATOM 0 HD2 PRO A 74 26.172 20.505 11.120 1.00 1.34 H new ATOM 0 HD3 PRO A 74 26.036 21.225 9.528 1.00 1.34 H new ATOM 1159 N SER A 75 24.596 24.949 13.312 1.00 34.34 N ATOM 1160 CA SER A 75 24.347 25.208 14.722 1.00 31.40 C ATOM 1161 C SER A 75 22.964 24.697 15.111 1.00 52.02 C ATOM 1162 O SER A 75 22.068 24.605 14.264 1.00 0.30 O ATOM 1163 CB SER A 75 24.462 26.707 15.028 1.00 31.21 C ATOM 1164 OG SER A 75 23.373 27.435 14.484 1.00 22.13 O ATOM 0 H SER A 75 24.371 25.725 12.689 1.00 34.34 H new ATOM 0 HA SER A 75 25.099 24.680 15.308 1.00 31.40 H new ATOM 0 HB2 SER A 75 24.498 26.857 16.107 1.00 31.21 H new ATOM 0 HB3 SER A 75 25.397 27.092 14.621 1.00 31.21 H new ATOM 0 HG SER A 75 23.627 27.799 13.610 1.00 22.13 H new ATOM 1170 N PRO A 76 22.767 24.356 16.396 1.00 45.34 N ATOM 1171 CA PRO A 76 21.477 23.879 16.901 1.00 5.21 C ATOM 1172 C PRO A 76 20.352 24.882 16.657 1.00 44.52 C ATOM 1173 O PRO A 76 19.198 24.497 16.488 1.00 51.42 O ATOM 1174 CB PRO A 76 21.713 23.694 18.406 1.00 72.21 C ATOM 1175 CG PRO A 76 22.958 24.457 18.705 1.00 41.55 C ATOM 1176 CD PRO A 76 23.785 24.395 17.456 1.00 65.15 C ATOM 0 HA PRO A 76 21.162 22.966 16.396 1.00 5.21 H new ATOM 0 HB2 PRO A 76 20.871 24.072 18.986 1.00 72.21 H new ATOM 0 HB3 PRO A 76 21.827 22.640 18.660 1.00 72.21 H new ATOM 0 HG2 PRO A 76 22.730 25.489 18.972 1.00 41.55 H new ATOM 0 HG3 PRO A 76 23.491 24.020 19.549 1.00 41.55 H new ATOM 0 HD2 PRO A 76 24.438 25.263 17.359 1.00 65.15 H new ATOM 0 HD3 PRO A 76 24.424 23.512 17.437 1.00 65.15 H new ATOM 1184 N GLU A 77 20.697 26.165 16.620 1.00 41.22 N ATOM 1185 CA GLU A 77 19.700 27.205 16.415 1.00 22.44 C ATOM 1186 C GLU A 77 19.262 27.260 14.956 1.00 43.15 C ATOM 1187 O GLU A 77 18.084 27.477 14.670 1.00 12.42 O ATOM 1188 CB GLU A 77 20.229 28.565 16.863 1.00 61.33 C ATOM 1189 CG GLU A 77 20.645 28.592 18.323 1.00 22.41 C ATOM 1190 CD GLU A 77 20.516 29.968 18.934 1.00 43.51 C ATOM 1191 OE1 GLU A 77 21.105 30.923 18.392 1.00 23.01 O ATOM 1192 OE2 GLU A 77 19.809 30.101 19.953 1.00 3.44 O ATOM 0 H GLU A 77 21.652 26.506 16.729 1.00 41.22 H new ATOM 0 HA GLU A 77 18.831 26.957 17.025 1.00 22.44 H new ATOM 0 HB2 GLU A 77 21.083 28.838 16.243 1.00 61.33 H new ATOM 0 HB3 GLU A 77 19.460 29.320 16.697 1.00 61.33 H new ATOM 0 HG2 GLU A 77 20.031 27.889 18.886 1.00 22.41 H new ATOM 0 HG3 GLU A 77 21.678 28.254 18.410 1.00 22.41 H new ATOM 1199 N ASP A 78 20.201 27.055 14.036 1.00 64.10 N ATOM 1200 CA ASP A 78 19.859 26.952 12.619 1.00 20.24 C ATOM 1201 C ASP A 78 18.948 25.753 12.424 1.00 23.41 C ATOM 1202 O ASP A 78 17.908 25.836 11.767 1.00 70.25 O ATOM 1203 CB ASP A 78 21.105 26.789 11.736 1.00 74.32 C ATOM 1204 CG ASP A 78 22.040 27.981 11.778 1.00 33.44 C ATOM 1205 OD1 ASP A 78 21.566 29.127 11.637 1.00 35.31 O ATOM 1206 OD2 ASP A 78 23.261 27.774 11.948 1.00 54.10 O ATOM 0 H ASP A 78 21.195 26.958 14.242 1.00 64.10 H new ATOM 0 HA ASP A 78 19.361 27.875 12.321 1.00 20.24 H new ATOM 0 HB2 ASP A 78 21.650 25.899 12.052 1.00 74.32 H new ATOM 0 HB3 ASP A 78 20.790 26.621 10.706 1.00 74.32 H new ATOM 1211 N VAL A 79 19.354 24.641 13.029 1.00 70.42 N ATOM 1212 CA VAL A 79 18.579 23.408 13.008 1.00 65.40 C ATOM 1213 C VAL A 79 17.177 23.635 13.569 1.00 5.45 C ATOM 1214 O VAL A 79 16.189 23.250 12.953 1.00 24.20 O ATOM 1215 CB VAL A 79 19.296 22.301 13.818 1.00 45.54 C ATOM 1216 CG1 VAL A 79 18.431 21.054 13.940 1.00 25.41 C ATOM 1217 CG2 VAL A 79 20.634 21.962 13.178 1.00 2.33 C ATOM 0 H VAL A 79 20.230 24.571 13.547 1.00 70.42 H new ATOM 0 HA VAL A 79 18.490 23.087 11.970 1.00 65.40 H new ATOM 0 HB VAL A 79 19.473 22.681 14.824 1.00 45.54 H new ATOM 0 HG11 VAL A 79 18.964 20.296 14.514 1.00 25.41 H new ATOM 0 HG12 VAL A 79 17.500 21.305 14.447 1.00 25.41 H new ATOM 0 HG13 VAL A 79 18.209 20.666 12.946 1.00 25.41 H new ATOM 0 HG21 VAL A 79 21.128 21.182 13.758 1.00 2.33 H new ATOM 0 HG22 VAL A 79 20.471 21.609 12.160 1.00 2.33 H new ATOM 0 HG23 VAL A 79 21.263 22.852 13.157 1.00 2.33 H new ATOM 1227 N GLU A 80 17.104 24.277 14.728 1.00 62.32 N ATOM 1228 CA GLU A 80 15.832 24.561 15.390 1.00 15.51 C ATOM 1229 C GLU A 80 14.929 25.437 14.517 1.00 42.51 C ATOM 1230 O GLU A 80 13.728 25.169 14.373 1.00 73.11 O ATOM 1231 CB GLU A 80 16.100 25.249 16.731 1.00 72.14 C ATOM 1232 CG GLU A 80 14.849 25.683 17.470 1.00 41.52 C ATOM 1233 CD GLU A 80 15.167 26.417 18.754 1.00 51.12 C ATOM 1234 OE1 GLU A 80 15.836 27.469 18.696 1.00 11.14 O ATOM 1235 OE2 GLU A 80 14.754 25.946 19.832 1.00 23.22 O ATOM 0 H GLU A 80 17.921 24.616 15.236 1.00 62.32 H new ATOM 0 HA GLU A 80 15.312 23.618 15.558 1.00 15.51 H new ATOM 0 HB2 GLU A 80 16.667 24.570 17.368 1.00 72.14 H new ATOM 0 HB3 GLU A 80 16.728 26.123 16.559 1.00 72.14 H new ATOM 0 HG2 GLU A 80 14.253 26.327 16.824 1.00 41.52 H new ATOM 0 HG3 GLU A 80 14.241 24.807 17.696 1.00 41.52 H new ATOM 1242 N ARG A 81 15.515 26.475 13.936 1.00 50.40 N ATOM 1243 CA ARG A 81 14.771 27.414 13.108 1.00 73.35 C ATOM 1244 C ARG A 81 14.163 26.715 11.897 1.00 24.52 C ATOM 1245 O ARG A 81 12.959 26.819 11.653 1.00 72.03 O ATOM 1246 CB ARG A 81 15.684 28.555 12.659 1.00 51.11 C ATOM 1247 CG ARG A 81 14.991 29.602 11.802 1.00 33.12 C ATOM 1248 CD ARG A 81 15.952 30.714 11.419 1.00 12.04 C ATOM 1249 NE ARG A 81 17.105 30.204 10.679 1.00 54.21 N ATOM 1250 CZ ARG A 81 18.351 30.192 11.152 1.00 1.12 C ATOM 1251 NH1 ARG A 81 18.609 30.626 12.382 1.00 25.34 N ATOM 1252 NH2 ARG A 81 19.337 29.740 10.395 1.00 65.00 N ATOM 0 H ARG A 81 16.509 26.689 14.024 1.00 50.40 H new ATOM 0 HA ARG A 81 13.956 27.824 13.705 1.00 73.35 H new ATOM 0 HB2 ARG A 81 16.101 29.041 13.541 1.00 51.11 H new ATOM 0 HB3 ARG A 81 16.521 28.138 12.099 1.00 51.11 H new ATOM 0 HG2 ARG A 81 14.593 29.135 10.902 1.00 33.12 H new ATOM 0 HG3 ARG A 81 14.144 30.020 12.346 1.00 33.12 H new ATOM 0 HD2 ARG A 81 15.429 31.454 10.813 1.00 12.04 H new ATOM 0 HD3 ARG A 81 16.295 31.224 12.319 1.00 12.04 H new ATOM 0 HE ARG A 81 16.946 29.834 9.742 1.00 54.21 H new ATOM 0 HH11 ARG A 81 17.851 30.971 12.971 1.00 25.34 H new ATOM 0 HH12 ARG A 81 19.565 30.614 12.737 1.00 25.34 H new ATOM 0 HH21 ARG A 81 19.143 29.402 9.452 1.00 65.00 H new ATOM 0 HH22 ARG A 81 20.292 29.729 10.754 1.00 65.00 H new ATOM 1266 N VAL A 82 14.989 25.982 11.155 1.00 32.54 N ATOM 1267 CA VAL A 82 14.513 25.283 9.967 1.00 71.44 C ATOM 1268 C VAL A 82 13.549 24.163 10.363 1.00 64.30 C ATOM 1269 O VAL A 82 12.609 23.849 9.637 1.00 33.50 O ATOM 1270 CB VAL A 82 15.684 24.712 9.124 1.00 10.34 C ATOM 1271 CG1 VAL A 82 16.163 23.364 9.648 1.00 44.34 C ATOM 1272 CG2 VAL A 82 15.285 24.614 7.664 1.00 23.43 C ATOM 0 H VAL A 82 15.982 25.858 11.353 1.00 32.54 H new ATOM 0 HA VAL A 82 13.986 26.008 9.347 1.00 71.44 H new ATOM 0 HB VAL A 82 16.521 25.404 9.214 1.00 10.34 H new ATOM 0 HG11 VAL A 82 16.983 23.003 9.027 1.00 44.34 H new ATOM 0 HG12 VAL A 82 16.508 23.475 10.676 1.00 44.34 H new ATOM 0 HG13 VAL A 82 15.341 22.648 9.616 1.00 44.34 H new ATOM 0 HG21 VAL A 82 16.117 24.212 7.086 1.00 23.43 H new ATOM 0 HG22 VAL A 82 14.423 23.955 7.566 1.00 23.43 H new ATOM 0 HG23 VAL A 82 15.028 25.605 7.290 1.00 23.43 H new ATOM 1282 N ARG A 83 13.787 23.592 11.539 1.00 12.43 N ATOM 1283 CA ARG A 83 12.940 22.544 12.095 1.00 22.25 C ATOM 1284 C ARG A 83 11.510 23.045 12.236 1.00 63.13 C ATOM 1285 O ARG A 83 10.570 22.409 11.766 1.00 31.24 O ATOM 1286 CB ARG A 83 13.497 22.132 13.461 1.00 63.22 C ATOM 1287 CG ARG A 83 12.734 21.037 14.186 1.00 61.31 C ATOM 1288 CD ARG A 83 13.273 20.894 15.601 1.00 74.43 C ATOM 1289 NE ARG A 83 12.692 19.775 16.339 1.00 41.44 N ATOM 1290 CZ ARG A 83 12.321 19.851 17.618 1.00 73.12 C ATOM 1291 NH1 ARG A 83 12.311 21.024 18.242 1.00 20.14 N ATOM 1292 NH2 ARG A 83 11.939 18.759 18.265 1.00 15.30 N ATOM 0 H ARG A 83 14.575 23.844 12.135 1.00 12.43 H new ATOM 0 HA ARG A 83 12.934 21.682 11.428 1.00 22.25 H new ATOM 0 HB2 ARG A 83 14.527 21.803 13.327 1.00 63.22 H new ATOM 0 HB3 ARG A 83 13.525 23.014 14.101 1.00 63.22 H new ATOM 0 HG2 ARG A 83 11.671 21.277 14.213 1.00 61.31 H new ATOM 0 HG3 ARG A 83 12.835 20.093 13.650 1.00 61.31 H new ATOM 0 HD2 ARG A 83 14.355 20.767 15.557 1.00 74.43 H new ATOM 0 HD3 ARG A 83 13.082 21.817 16.148 1.00 74.43 H new ATOM 0 HE ARG A 83 12.563 18.889 15.850 1.00 41.44 H new ATOM 0 HH11 ARG A 83 12.587 21.870 17.743 1.00 20.14 H new ATOM 0 HH12 ARG A 83 12.027 21.079 19.220 1.00 20.14 H new ATOM 0 HH21 ARG A 83 11.929 17.859 17.785 1.00 15.30 H new ATOM 0 HH22 ARG A 83 11.656 18.819 19.243 1.00 15.30 H new ATOM 1306 N ALA A 84 11.358 24.204 12.867 1.00 12.14 N ATOM 1307 CA ALA A 84 10.042 24.799 13.064 1.00 60.24 C ATOM 1308 C ALA A 84 9.441 25.277 11.742 1.00 70.42 C ATOM 1309 O ALA A 84 8.277 25.008 11.443 1.00 23.24 O ATOM 1310 CB ALA A 84 10.130 25.952 14.053 1.00 63.52 C ATOM 0 H ALA A 84 12.130 24.750 13.251 1.00 12.14 H new ATOM 0 HA ALA A 84 9.384 24.031 13.470 1.00 60.24 H new ATOM 0 HB1 ALA A 84 9.141 26.388 14.192 1.00 63.52 H new ATOM 0 HB2 ALA A 84 10.502 25.584 15.009 1.00 63.52 H new ATOM 0 HB3 ALA A 84 10.811 26.711 13.667 1.00 63.52 H new ATOM 1316 N ARG A 85 10.251 25.968 10.947 1.00 4.11 N ATOM 1317 CA ARG A 85 9.789 26.565 9.697 1.00 74.14 C ATOM 1318 C ARG A 85 9.304 25.505 8.706 1.00 31.20 C ATOM 1319 O ARG A 85 8.302 25.699 8.017 1.00 12.24 O ATOM 1320 CB ARG A 85 10.918 27.403 9.081 1.00 14.31 C ATOM 1321 CG ARG A 85 10.539 28.141 7.804 1.00 15.44 C ATOM 1322 CD ARG A 85 9.283 28.983 7.981 1.00 12.24 C ATOM 1323 NE ARG A 85 9.313 29.784 9.205 1.00 30.11 N ATOM 1324 CZ ARG A 85 8.721 30.969 9.338 1.00 74.23 C ATOM 1325 NH1 ARG A 85 8.145 31.555 8.294 1.00 74.02 N ATOM 1326 NH2 ARG A 85 8.729 31.575 10.517 1.00 62.23 N ATOM 0 H ARG A 85 11.238 26.130 11.147 1.00 4.11 H new ATOM 0 HA ARG A 85 8.938 27.208 9.920 1.00 74.14 H new ATOM 0 HB2 ARG A 85 11.256 28.131 9.819 1.00 14.31 H new ATOM 0 HB3 ARG A 85 11.764 26.749 8.869 1.00 14.31 H new ATOM 0 HG2 ARG A 85 11.365 28.783 7.498 1.00 15.44 H new ATOM 0 HG3 ARG A 85 10.382 27.420 7.002 1.00 15.44 H new ATOM 0 HD2 ARG A 85 9.168 29.643 7.121 1.00 12.24 H new ATOM 0 HD3 ARG A 85 8.411 28.329 8.000 1.00 12.24 H new ATOM 0 HE ARG A 85 9.820 29.411 10.008 1.00 30.11 H new ATOM 0 HH11 ARG A 85 8.154 31.097 7.383 1.00 74.02 H new ATOM 0 HH12 ARG A 85 7.693 32.463 8.404 1.00 74.02 H new ATOM 0 HH21 ARG A 85 9.187 31.133 11.314 1.00 62.23 H new ATOM 0 HH22 ARG A 85 8.278 32.483 10.627 1.00 62.23 H new ATOM 1340 N LEU A 86 10.006 24.384 8.651 1.00 63.41 N ATOM 1341 CA LEU A 86 9.673 23.317 7.713 1.00 3.23 C ATOM 1342 C LEU A 86 8.524 22.458 8.234 1.00 51.33 C ATOM 1343 O LEU A 86 7.766 21.884 7.452 1.00 11.12 O ATOM 1344 CB LEU A 86 10.907 22.449 7.441 1.00 64.25 C ATOM 1345 CG LEU A 86 11.843 22.942 6.325 1.00 51.31 C ATOM 1346 CD1 LEU A 86 11.272 22.596 4.959 1.00 63.43 C ATOM 1347 CD2 LEU A 86 12.078 24.442 6.420 1.00 3.31 C ATOM 0 H LEU A 86 10.812 24.187 9.245 1.00 63.41 H new ATOM 0 HA LEU A 86 9.349 23.777 6.780 1.00 3.23 H new ATOM 0 HB2 LEU A 86 11.483 22.371 8.363 1.00 64.25 H new ATOM 0 HB3 LEU A 86 10.571 21.443 7.189 1.00 64.25 H new ATOM 0 HG LEU A 86 12.800 22.437 6.452 1.00 51.31 H new ATOM 0 HD11 LEU A 86 11.948 22.952 4.181 1.00 63.43 H new ATOM 0 HD12 LEU A 86 11.160 21.515 4.875 1.00 63.43 H new ATOM 0 HD13 LEU A 86 10.299 23.072 4.840 1.00 63.43 H new ATOM 0 HD21 LEU A 86 12.744 24.758 5.617 1.00 3.31 H new ATOM 0 HD22 LEU A 86 11.126 24.966 6.330 1.00 3.31 H new ATOM 0 HD23 LEU A 86 12.532 24.679 7.382 1.00 3.31 H new ATOM 1359 N ALA A 87 8.389 22.387 9.553 1.00 64.31 N ATOM 1360 CA ALA A 87 7.333 21.594 10.176 1.00 55.30 C ATOM 1361 C ALA A 87 5.967 22.242 9.976 1.00 40.51 C ATOM 1362 O ALA A 87 4.938 21.564 10.015 1.00 60.31 O ATOM 1363 CB ALA A 87 7.611 21.407 11.659 1.00 2.20 C ATOM 0 H ALA A 87 8.998 22.869 10.214 1.00 64.31 H new ATOM 0 HA ALA A 87 7.321 20.617 9.693 1.00 55.30 H new ATOM 0 HB1 ALA A 87 6.814 20.814 12.107 1.00 2.20 H new ATOM 0 HB2 ALA A 87 8.563 20.892 11.789 1.00 2.20 H new ATOM 0 HB3 ALA A 87 7.656 22.381 12.146 1.00 2.20 H new ATOM 1369 N ALA A 88 5.969 23.554 9.763 1.00 12.20 N ATOM 1370 CA ALA A 88 4.737 24.318 9.588 1.00 35.54 C ATOM 1371 C ALA A 88 3.926 23.815 8.394 1.00 70.35 C ATOM 1372 O ALA A 88 2.695 23.771 8.445 1.00 34.21 O ATOM 1373 CB ALA A 88 5.057 25.796 9.426 1.00 1.20 C ATOM 0 H ALA A 88 6.819 24.116 9.707 1.00 12.20 H new ATOM 0 HA ALA A 88 4.128 24.179 10.481 1.00 35.54 H new ATOM 0 HB1 ALA A 88 4.131 26.357 9.296 1.00 1.20 H new ATOM 0 HB2 ALA A 88 5.577 26.155 10.314 1.00 1.20 H new ATOM 0 HB3 ALA A 88 5.692 25.937 8.552 1.00 1.20 H new ATOM 1379 N GLN A 89 4.620 23.413 7.332 1.00 43.22 N ATOM 1380 CA GLN A 89 3.960 22.931 6.120 1.00 34.15 C ATOM 1381 C GLN A 89 3.708 21.429 6.196 1.00 43.51 C ATOM 1382 O GLN A 89 3.263 20.811 5.228 1.00 25.11 O ATOM 1383 CB GLN A 89 4.800 23.251 4.874 1.00 71.20 C ATOM 1384 CG GLN A 89 4.654 24.680 4.361 1.00 64.44 C ATOM 1385 CD GLN A 89 5.133 25.725 5.349 1.00 71.20 C ATOM 1386 OE1 GLN A 89 4.362 26.233 6.161 1.00 75.44 O ATOM 1387 NE2 GLN A 89 6.411 26.058 5.282 1.00 62.23 N ATOM 0 H GLN A 89 5.639 23.411 7.286 1.00 43.22 H new ATOM 0 HA GLN A 89 3.002 23.445 6.042 1.00 34.15 H new ATOM 0 HB2 GLN A 89 5.850 23.066 5.102 1.00 71.20 H new ATOM 0 HB3 GLN A 89 4.521 22.562 4.077 1.00 71.20 H new ATOM 0 HG2 GLN A 89 5.215 24.784 3.432 1.00 64.44 H new ATOM 0 HG3 GLN A 89 3.607 24.868 4.123 1.00 64.44 H new ATOM 0 HE21 GLN A 89 7.019 25.613 4.594 1.00 62.23 H new ATOM 0 HE22 GLN A 89 6.789 26.760 5.919 1.00 62.23 H new ATOM 1396 N GLY A 90 3.988 20.848 7.350 1.00 41.15 N ATOM 1397 CA GLY A 90 3.816 19.424 7.523 1.00 31.11 C ATOM 1398 C GLY A 90 5.144 18.710 7.573 1.00 31.14 C ATOM 1399 O GLY A 90 6.070 19.066 6.846 1.00 41.14 O ATOM 0 H GLY A 90 4.333 21.340 8.174 1.00 41.15 H new ATOM 0 HA2 GLY A 90 3.263 19.232 8.443 1.00 31.11 H new ATOM 0 HA3 GLY A 90 3.218 19.026 6.703 1.00 31.11 H new ATOM 1403 N TRP A 91 5.251 17.712 8.435 1.00 1.05 N ATOM 1404 CA TRP A 91 6.484 16.955 8.564 1.00 21.13 C ATOM 1405 C TRP A 91 6.321 15.584 7.912 1.00 24.15 C ATOM 1406 O TRP A 91 5.776 14.661 8.516 1.00 54.32 O ATOM 1407 CB TRP A 91 6.861 16.808 10.041 1.00 54.31 C ATOM 1408 CG TRP A 91 8.300 16.460 10.260 1.00 20.42 C ATOM 1409 CD1 TRP A 91 8.817 15.228 10.540 1.00 65.12 C ATOM 1410 CD2 TRP A 91 9.410 17.363 10.220 1.00 12.15 C ATOM 1411 NE1 TRP A 91 10.182 15.311 10.680 1.00 72.51 N ATOM 1412 CE2 TRP A 91 10.569 16.612 10.487 1.00 54.41 C ATOM 1413 CE3 TRP A 91 9.534 18.734 9.985 1.00 43.04 C ATOM 1414 CZ2 TRP A 91 11.836 17.189 10.523 1.00 22.23 C ATOM 1415 CZ3 TRP A 91 10.791 19.305 10.021 1.00 21.42 C ATOM 1416 CH2 TRP A 91 11.928 18.533 10.289 1.00 15.43 C ATOM 0 H TRP A 91 4.500 17.408 9.055 1.00 1.05 H new ATOM 0 HA TRP A 91 7.287 17.490 8.056 1.00 21.13 H new ATOM 0 HB2 TRP A 91 6.639 17.741 10.559 1.00 54.31 H new ATOM 0 HB3 TRP A 91 6.237 16.037 10.492 1.00 54.31 H new ATOM 0 HD1 TRP A 91 8.239 14.321 10.637 1.00 65.12 H new ATOM 0 HE1 TRP A 91 10.805 14.532 10.893 1.00 72.51 H new ATOM 0 HE3 TRP A 91 8.662 19.337 9.779 1.00 43.04 H new ATOM 0 HZ2 TRP A 91 12.715 16.596 10.728 1.00 22.23 H new ATOM 0 HZ3 TRP A 91 10.899 20.364 9.839 1.00 21.42 H new ATOM 0 HH2 TRP A 91 12.897 19.009 10.311 1.00 15.43 H new ATOM 1427 N PRO A 92 6.769 15.443 6.657 1.00 64.14 N ATOM 1428 CA PRO A 92 6.594 14.216 5.882 1.00 60.55 C ATOM 1429 C PRO A 92 7.736 13.222 6.071 1.00 0.42 C ATOM 1430 O PRO A 92 7.795 12.195 5.397 1.00 12.41 O ATOM 1431 CB PRO A 92 6.584 14.744 4.452 1.00 45.11 C ATOM 1432 CG PRO A 92 7.527 15.903 4.478 1.00 23.52 C ATOM 1433 CD PRO A 92 7.466 16.480 5.873 1.00 20.11 C ATOM 0 HA PRO A 92 5.702 13.663 6.176 1.00 60.55 H new ATOM 0 HB2 PRO A 92 6.910 13.982 3.745 1.00 45.11 H new ATOM 0 HB3 PRO A 92 5.583 15.052 4.149 1.00 45.11 H new ATOM 0 HG2 PRO A 92 8.540 15.583 4.235 1.00 23.52 H new ATOM 0 HG3 PRO A 92 7.243 16.650 3.737 1.00 23.52 H new ATOM 0 HD2 PRO A 92 8.463 16.676 6.268 1.00 20.11 H new ATOM 0 HD3 PRO A 92 6.924 17.426 5.891 1.00 20.11 H new ATOM 1441 N LEU A 93 8.643 13.531 6.988 1.00 21.21 N ATOM 1442 CA LEU A 93 9.803 12.684 7.210 1.00 44.02 C ATOM 1443 C LEU A 93 9.457 11.473 8.063 1.00 73.14 C ATOM 1444 O LEU A 93 9.958 10.379 7.824 1.00 62.40 O ATOM 1445 CB LEU A 93 10.942 13.462 7.874 1.00 23.12 C ATOM 1446 CG LEU A 93 11.585 14.553 7.020 1.00 64.11 C ATOM 1447 CD1 LEU A 93 12.783 15.148 7.743 1.00 64.22 C ATOM 1448 CD2 LEU A 93 12.003 13.999 5.667 1.00 63.12 C ATOM 0 H LEU A 93 8.597 14.356 7.586 1.00 21.21 H new ATOM 0 HA LEU A 93 10.131 12.340 6.229 1.00 44.02 H new ATOM 0 HB2 LEU A 93 10.561 13.919 8.788 1.00 23.12 H new ATOM 0 HB3 LEU A 93 11.716 12.754 8.170 1.00 23.12 H new ATOM 0 HG LEU A 93 10.850 15.340 6.854 1.00 64.11 H new ATOM 0 HD11 LEU A 93 13.233 15.924 7.124 1.00 64.22 H new ATOM 0 HD12 LEU A 93 12.459 15.581 8.689 1.00 64.22 H new ATOM 0 HD13 LEU A 93 13.518 14.366 7.935 1.00 64.22 H new ATOM 0 HD21 LEU A 93 12.459 14.792 5.074 1.00 63.12 H new ATOM 0 HD22 LEU A 93 12.723 13.194 5.810 1.00 63.12 H new ATOM 0 HD23 LEU A 93 11.127 13.614 5.145 1.00 63.12 H new