USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=13 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= -0.118 K(o=-0.12,f=0.86) USER MOD Single : A 9 THR OG1 : rot 75:sc= 0.216 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -57:sc= -0.609 USER MOD Single : A 26 THR OG1 : rot 79:sc= 0.683 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 174:sc= -1.36! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -0.59 X(o=-0.59,f=-0.99) USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 1.3 (180deg=1.23) USER MOD Single : A 49 ASN : amide:sc=-7.01e-05 K(o=-7e-05,f=-3!) USER MOD Single : A 52 MET CE :methyl 170:sc= -0.989 (180deg=-1.36) USER MOD Single : A 59 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.37) USER MOD Single : A 67 THR OG1 : rot -76:sc= 0.899 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 126:sc= 0.196 USER MOD Single : A 75 SER OG : rot 136:sc= 1.39 USER MOD Single : A 89 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 5 10.561 7.743 -7.240 1.00 22.52 N ATOM 57 CA ASN A 5 11.040 9.125 -7.294 1.00 73.11 C ATOM 58 C ASN A 5 10.066 10.082 -6.619 1.00 10.31 C ATOM 59 O ASN A 5 10.474 11.118 -6.097 1.00 10.11 O ATOM 60 CB ASN A 5 11.271 9.574 -8.746 1.00 53.32 C ATOM 61 CG ASN A 5 12.401 8.825 -9.431 1.00 53.24 C ATOM 62 OD1 ASN A 5 12.633 7.643 -9.169 1.00 40.34 O ATOM 63 ND2 ASN A 5 13.121 9.508 -10.308 1.00 4.12 N ATOM 0 HA ASN A 5 11.987 9.153 -6.755 1.00 73.11 H new ATOM 0 HB2 ASN A 5 10.352 9.431 -9.314 1.00 53.32 H new ATOM 0 HB3 ASN A 5 11.491 10.641 -8.759 1.00 53.32 H new ATOM 0 HD21 ASN A 5 13.897 9.057 -10.792 1.00 4.12 H new ATOM 0 HD22 ASN A 5 12.899 10.485 -10.499 1.00 4.12 H new ATOM 70 N ARG A 6 8.777 9.727 -6.628 1.00 70.34 N ATOM 71 CA ARG A 6 7.725 10.597 -6.099 1.00 45.50 C ATOM 72 C ARG A 6 8.027 11.057 -4.669 1.00 22.34 C ATOM 73 O ARG A 6 7.678 12.174 -4.287 1.00 1.32 O ATOM 74 CB ARG A 6 6.361 9.891 -6.135 1.00 34.52 C ATOM 75 CG ARG A 6 6.226 8.736 -5.153 1.00 35.22 C ATOM 76 CD ARG A 6 4.804 8.197 -5.119 1.00 55.24 C ATOM 77 NE ARG A 6 4.620 7.187 -4.076 1.00 65.22 N ATOM 78 CZ ARG A 6 3.452 6.937 -3.480 1.00 12.53 C ATOM 79 NH1 ARG A 6 2.372 7.639 -3.793 1.00 43.31 N ATOM 80 NH2 ARG A 6 3.367 5.991 -2.553 1.00 11.12 N ATOM 0 H ARG A 6 8.438 8.839 -6.998 1.00 70.34 H new ATOM 0 HA ARG A 6 7.692 11.478 -6.740 1.00 45.50 H new ATOM 0 HB2 ARG A 6 5.581 10.623 -5.926 1.00 34.52 H new ATOM 0 HB3 ARG A 6 6.185 9.517 -7.144 1.00 34.52 H new ATOM 0 HG2 ARG A 6 6.913 7.937 -5.433 1.00 35.22 H new ATOM 0 HG3 ARG A 6 6.514 9.069 -4.156 1.00 35.22 H new ATOM 0 HD2 ARG A 6 4.109 9.020 -4.952 1.00 55.24 H new ATOM 0 HD3 ARG A 6 4.558 7.764 -6.089 1.00 55.24 H new ATOM 0 HE ARG A 6 5.432 6.642 -3.787 1.00 65.22 H new ATOM 0 HH11 ARG A 6 2.429 8.377 -4.495 1.00 43.31 H new ATOM 0 HH12 ARG A 6 1.484 7.441 -3.332 1.00 43.31 H new ATOM 0 HH21 ARG A 6 4.195 5.454 -2.295 1.00 11.12 H new ATOM 0 HH22 ARG A 6 2.474 5.801 -2.098 1.00 11.12 H new ATOM 94 N PHE A 7 8.685 10.205 -3.886 1.00 61.03 N ATOM 95 CA PHE A 7 9.019 10.548 -2.510 1.00 54.10 C ATOM 96 C PHE A 7 10.124 11.598 -2.486 1.00 14.21 C ATOM 97 O PHE A 7 10.035 12.596 -1.770 1.00 1.24 O ATOM 98 CB PHE A 7 9.449 9.300 -1.731 1.00 72.25 C ATOM 99 CG PHE A 7 9.656 9.549 -0.261 1.00 31.43 C ATOM 100 CD1 PHE A 7 8.571 9.658 0.594 1.00 52.24 C ATOM 101 CD2 PHE A 7 10.933 9.679 0.263 1.00 4.00 C ATOM 102 CE1 PHE A 7 8.754 9.890 1.944 1.00 13.43 C ATOM 103 CE2 PHE A 7 11.123 9.910 1.613 1.00 61.21 C ATOM 104 CZ PHE A 7 10.032 10.016 2.455 1.00 73.30 C ATOM 0 H PHE A 7 8.995 9.279 -4.180 1.00 61.03 H new ATOM 0 HA PHE A 7 8.132 10.961 -2.029 1.00 54.10 H new ATOM 0 HB2 PHE A 7 8.693 8.525 -1.857 1.00 72.25 H new ATOM 0 HB3 PHE A 7 10.374 8.915 -2.160 1.00 72.25 H new ATOM 0 HD1 PHE A 7 7.570 9.560 0.201 1.00 52.24 H new ATOM 0 HD2 PHE A 7 11.789 9.599 -0.391 1.00 4.00 H new ATOM 0 HE1 PHE A 7 7.899 9.973 2.599 1.00 13.43 H new ATOM 0 HE2 PHE A 7 12.123 10.008 2.009 1.00 61.21 H new ATOM 0 HZ PHE A 7 10.178 10.197 3.510 1.00 73.30 H new ATOM 114 N LEU A 8 11.153 11.375 -3.295 1.00 52.30 N ATOM 115 CA LEU A 8 12.268 12.307 -3.400 1.00 12.42 C ATOM 116 C LEU A 8 11.782 13.659 -3.906 1.00 4.34 C ATOM 117 O LEU A 8 12.164 14.704 -3.382 1.00 54.30 O ATOM 118 CB LEU A 8 13.338 11.747 -4.340 1.00 73.45 C ATOM 119 CG LEU A 8 13.966 10.422 -3.896 1.00 4.01 C ATOM 120 CD1 LEU A 8 14.892 9.883 -4.976 1.00 63.33 C ATOM 121 CD2 LEU A 8 14.723 10.602 -2.589 1.00 0.01 C ATOM 0 H LEU A 8 11.238 10.552 -3.891 1.00 52.30 H new ATOM 0 HA LEU A 8 12.704 12.441 -2.410 1.00 12.42 H new ATOM 0 HB2 LEU A 8 12.896 11.609 -5.327 1.00 73.45 H new ATOM 0 HB3 LEU A 8 14.130 12.489 -4.446 1.00 73.45 H new ATOM 0 HG LEU A 8 13.166 9.700 -3.735 1.00 4.01 H new ATOM 0 HD11 LEU A 8 15.329 8.942 -4.644 1.00 63.33 H new ATOM 0 HD12 LEU A 8 14.325 9.716 -5.892 1.00 63.33 H new ATOM 0 HD13 LEU A 8 15.686 10.604 -5.167 1.00 63.33 H new ATOM 0 HD21 LEU A 8 15.162 9.651 -2.289 1.00 0.01 H new ATOM 0 HD22 LEU A 8 15.514 11.340 -2.725 1.00 0.01 H new ATOM 0 HD23 LEU A 8 14.036 10.945 -1.815 1.00 0.01 H new ATOM 133 N THR A 9 10.922 13.628 -4.917 1.00 50.43 N ATOM 134 CA THR A 9 10.337 14.842 -5.468 1.00 11.00 C ATOM 135 C THR A 9 9.464 15.549 -4.428 1.00 63.12 C ATOM 136 O THR A 9 9.426 16.779 -4.368 1.00 22.31 O ATOM 137 CB THR A 9 9.505 14.523 -6.725 1.00 3.51 C ATOM 138 OG1 THR A 9 10.308 13.784 -7.659 1.00 24.21 O ATOM 139 CG2 THR A 9 8.999 15.797 -7.389 1.00 32.31 C ATOM 0 H THR A 9 10.614 12.770 -5.373 1.00 50.43 H new ATOM 0 HA THR A 9 11.153 15.509 -5.747 1.00 11.00 H new ATOM 0 HB THR A 9 8.643 13.929 -6.421 1.00 3.51 H new ATOM 0 HG1 THR A 9 10.413 12.863 -7.342 1.00 24.21 H new ATOM 0 HG21 THR A 9 8.415 15.540 -8.273 1.00 32.31 H new ATOM 0 HG22 THR A 9 8.372 16.348 -6.688 1.00 32.31 H new ATOM 0 HG23 THR A 9 9.847 16.416 -7.682 1.00 32.31 H new ATOM 147 N SER A 10 8.783 14.766 -3.597 1.00 65.42 N ATOM 148 CA SER A 10 7.954 15.321 -2.537 1.00 14.20 C ATOM 149 C SER A 10 8.838 16.043 -1.521 1.00 60.34 C ATOM 150 O SER A 10 8.472 17.099 -1.000 1.00 33.45 O ATOM 151 CB SER A 10 7.142 14.216 -1.854 1.00 14.00 C ATOM 152 OG SER A 10 5.979 14.737 -1.230 1.00 11.13 O ATOM 0 H SER A 10 8.790 13.747 -3.638 1.00 65.42 H new ATOM 0 HA SER A 10 7.254 16.035 -2.970 1.00 14.20 H new ATOM 0 HB2 SER A 10 6.856 13.465 -2.590 1.00 14.00 H new ATOM 0 HB3 SER A 10 7.761 13.714 -1.111 1.00 14.00 H new ATOM 0 HG SER A 10 5.481 14.008 -0.805 1.00 11.13 H new ATOM 158 N ILE A 11 10.010 15.470 -1.258 1.00 41.21 N ATOM 159 CA ILE A 11 11.000 16.110 -0.401 1.00 43.24 C ATOM 160 C ILE A 11 11.472 17.420 -1.033 1.00 34.21 C ATOM 161 O ILE A 11 11.551 18.445 -0.366 1.00 51.11 O ATOM 162 CB ILE A 11 12.219 15.188 -0.151 1.00 63.44 C ATOM 163 CG1 ILE A 11 11.781 13.888 0.533 1.00 0.25 C ATOM 164 CG2 ILE A 11 13.275 15.898 0.685 1.00 53.04 C ATOM 165 CD1 ILE A 11 11.116 14.095 1.876 1.00 53.14 C ATOM 0 H ILE A 11 10.296 14.563 -1.627 1.00 41.21 H new ATOM 0 HA ILE A 11 10.524 16.313 0.558 1.00 43.24 H new ATOM 0 HB ILE A 11 12.658 14.941 -1.117 1.00 63.44 H new ATOM 0 HG12 ILE A 11 11.092 13.357 -0.124 1.00 0.25 H new ATOM 0 HG13 ILE A 11 12.653 13.247 0.665 1.00 0.25 H new ATOM 0 HG21 ILE A 11 14.121 15.230 0.847 1.00 53.04 H new ATOM 0 HG22 ILE A 11 13.614 16.792 0.161 1.00 53.04 H new ATOM 0 HG23 ILE A 11 12.848 16.182 1.647 1.00 53.04 H new ATOM 0 HD11 ILE A 11 10.835 13.129 2.296 1.00 53.14 H new ATOM 0 HD12 ILE A 11 11.809 14.597 2.552 1.00 53.14 H new ATOM 0 HD13 ILE A 11 10.224 14.709 1.750 1.00 53.14 H new ATOM 177 N VAL A 12 11.770 17.369 -2.328 1.00 21.55 N ATOM 178 CA VAL A 12 12.161 18.553 -3.091 1.00 14.34 C ATOM 179 C VAL A 12 11.129 19.674 -2.945 1.00 13.44 C ATOM 180 O VAL A 12 11.474 20.814 -2.621 1.00 43.23 O ATOM 181 CB VAL A 12 12.339 18.209 -4.590 1.00 35.21 C ATOM 182 CG1 VAL A 12 12.538 19.462 -5.428 1.00 52.52 C ATOM 183 CG2 VAL A 12 13.507 17.253 -4.780 1.00 24.24 C ATOM 0 H VAL A 12 11.748 16.510 -2.877 1.00 21.55 H new ATOM 0 HA VAL A 12 13.113 18.898 -2.687 1.00 14.34 H new ATOM 0 HB VAL A 12 11.425 17.722 -4.931 1.00 35.21 H new ATOM 0 HG11 VAL A 12 12.660 19.184 -6.475 1.00 52.52 H new ATOM 0 HG12 VAL A 12 11.669 20.111 -5.324 1.00 52.52 H new ATOM 0 HG13 VAL A 12 13.428 19.990 -5.087 1.00 52.52 H new ATOM 0 HG21 VAL A 12 13.619 17.021 -5.839 1.00 24.24 H new ATOM 0 HG22 VAL A 12 14.421 17.718 -4.412 1.00 24.24 H new ATOM 0 HG23 VAL A 12 13.319 16.334 -4.225 1.00 24.24 H new ATOM 193 N ALA A 13 9.864 19.338 -3.173 1.00 44.22 N ATOM 194 CA ALA A 13 8.777 20.303 -3.047 1.00 63.42 C ATOM 195 C ALA A 13 8.706 20.851 -1.625 1.00 5.15 C ATOM 196 O ALA A 13 8.511 22.048 -1.414 1.00 60.31 O ATOM 197 CB ALA A 13 7.455 19.659 -3.436 1.00 50.45 C ATOM 0 H ALA A 13 9.565 18.402 -3.447 1.00 44.22 H new ATOM 0 HA ALA A 13 8.973 21.135 -3.724 1.00 63.42 H new ATOM 0 HB1 ALA A 13 6.652 20.389 -3.338 1.00 50.45 H new ATOM 0 HB2 ALA A 13 7.508 19.315 -4.469 1.00 50.45 H new ATOM 0 HB3 ALA A 13 7.257 18.811 -2.781 1.00 50.45 H new ATOM 203 N TRP A 14 8.876 19.961 -0.660 1.00 34.42 N ATOM 204 CA TRP A 14 8.875 20.328 0.748 1.00 42.25 C ATOM 205 C TRP A 14 10.024 21.286 1.068 1.00 70.10 C ATOM 206 O TRP A 14 9.822 22.329 1.693 1.00 3.04 O ATOM 207 CB TRP A 14 8.969 19.054 1.595 1.00 32.24 C ATOM 208 CG TRP A 14 9.251 19.292 3.046 1.00 61.43 C ATOM 209 CD1 TRP A 14 8.561 20.103 3.898 1.00 2.33 C ATOM 210 CD2 TRP A 14 10.295 18.694 3.814 1.00 1.21 C ATOM 211 NE1 TRP A 14 9.116 20.047 5.150 1.00 52.34 N ATOM 212 CE2 TRP A 14 10.184 19.189 5.126 1.00 5.51 C ATOM 213 CE3 TRP A 14 11.316 17.788 3.518 1.00 11.11 C ATOM 214 CZ2 TRP A 14 11.057 18.804 6.138 1.00 42.32 C ATOM 215 CZ3 TRP A 14 12.179 17.407 4.523 1.00 1.43 C ATOM 216 CH2 TRP A 14 12.047 17.915 5.819 1.00 73.14 C ATOM 0 H TRP A 14 9.018 18.965 -0.830 1.00 34.42 H new ATOM 0 HA TRP A 14 7.947 20.850 0.983 1.00 42.25 H new ATOM 0 HB2 TRP A 14 8.032 18.504 1.506 1.00 32.24 H new ATOM 0 HB3 TRP A 14 9.753 18.418 1.185 1.00 32.24 H new ATOM 0 HD1 TRP A 14 7.704 20.701 3.626 1.00 2.33 H new ATOM 0 HE1 TRP A 14 8.787 20.561 5.967 1.00 52.34 H new ATOM 0 HE3 TRP A 14 11.427 17.393 2.519 1.00 11.11 H new ATOM 0 HZ2 TRP A 14 10.957 19.193 7.140 1.00 42.32 H new ATOM 0 HZ3 TRP A 14 12.970 16.705 4.306 1.00 1.43 H new ATOM 0 HH2 TRP A 14 12.741 17.599 6.584 1.00 73.14 H new ATOM 227 N LEU A 15 11.223 20.936 0.616 1.00 2.10 N ATOM 228 CA LEU A 15 12.411 21.734 0.889 1.00 34.45 C ATOM 229 C LEU A 15 12.280 23.136 0.312 1.00 0.13 C ATOM 230 O LEU A 15 12.600 24.120 0.979 1.00 34.54 O ATOM 231 CB LEU A 15 13.663 21.055 0.332 1.00 11.03 C ATOM 232 CG LEU A 15 13.984 19.690 0.942 1.00 31.04 C ATOM 233 CD1 LEU A 15 15.330 19.187 0.443 1.00 61.44 C ATOM 234 CD2 LEU A 15 13.963 19.771 2.462 1.00 64.45 C ATOM 0 H LEU A 15 11.398 20.101 0.057 1.00 2.10 H new ATOM 0 HA LEU A 15 12.507 21.816 1.972 1.00 34.45 H new ATOM 0 HB2 LEU A 15 13.545 20.936 -0.745 1.00 11.03 H new ATOM 0 HB3 LEU A 15 14.516 21.715 0.488 1.00 11.03 H new ATOM 0 HG LEU A 15 13.220 18.979 0.628 1.00 31.04 H new ATOM 0 HD11 LEU A 15 15.542 18.215 0.887 1.00 61.44 H new ATOM 0 HD12 LEU A 15 15.303 19.092 -0.643 1.00 61.44 H new ATOM 0 HD13 LEU A 15 16.110 19.893 0.726 1.00 61.44 H new ATOM 0 HD21 LEU A 15 14.193 18.792 2.882 1.00 64.45 H new ATOM 0 HD22 LEU A 15 14.706 20.494 2.798 1.00 64.45 H new ATOM 0 HD23 LEU A 15 12.974 20.085 2.796 1.00 64.45 H new ATOM 246 N ARG A 16 11.802 23.232 -0.925 1.00 2.41 N ATOM 247 CA ARG A 16 11.636 24.535 -1.550 1.00 31.15 C ATOM 248 C ARG A 16 10.507 25.306 -0.865 1.00 5.31 C ATOM 249 O ARG A 16 10.592 26.517 -0.700 1.00 11.03 O ATOM 250 CB ARG A 16 11.381 24.411 -3.060 1.00 12.41 C ATOM 251 CG ARG A 16 10.015 23.858 -3.428 1.00 75.42 C ATOM 252 CD ARG A 16 9.797 23.862 -4.932 1.00 13.34 C ATOM 253 NE ARG A 16 10.053 25.178 -5.514 1.00 41.44 N ATOM 254 CZ ARG A 16 9.105 26.025 -5.911 1.00 71.15 C ATOM 255 NH1 ARG A 16 7.819 25.718 -5.774 1.00 44.40 N ATOM 256 NH2 ARG A 16 9.452 27.190 -6.436 1.00 61.31 N ATOM 0 H ARG A 16 11.528 22.438 -1.504 1.00 2.41 H new ATOM 0 HA ARG A 16 12.566 25.091 -1.426 1.00 31.15 H new ATOM 0 HB2 ARG A 16 11.495 25.394 -3.516 1.00 12.41 H new ATOM 0 HB3 ARG A 16 12.147 23.768 -3.493 1.00 12.41 H new ATOM 0 HG2 ARG A 16 9.919 22.841 -3.049 1.00 75.42 H new ATOM 0 HG3 ARG A 16 9.239 24.452 -2.946 1.00 75.42 H new ATOM 0 HD2 ARG A 16 10.453 23.125 -5.396 1.00 13.34 H new ATOM 0 HD3 ARG A 16 8.773 23.560 -5.152 1.00 13.34 H new ATOM 0 HE ARG A 16 11.025 25.468 -5.624 1.00 41.44 H new ATOM 0 HH11 ARG A 16 7.549 24.825 -5.361 1.00 44.40 H new ATOM 0 HH12 ARG A 16 7.102 26.375 -6.082 1.00 44.40 H new ATOM 0 HH21 ARG A 16 10.438 27.432 -6.533 1.00 61.31 H new ATOM 0 HH22 ARG A 16 8.733 27.845 -6.743 1.00 61.31 H new ATOM 270 N ALA A 17 9.467 24.594 -0.434 1.00 2.12 N ATOM 271 CA ALA A 17 8.357 25.222 0.277 1.00 33.54 C ATOM 272 C ALA A 17 8.826 25.788 1.613 1.00 24.54 C ATOM 273 O ALA A 17 8.293 26.784 2.103 1.00 1.33 O ATOM 274 CB ALA A 17 7.226 24.229 0.490 1.00 34.13 C ATOM 0 H ALA A 17 9.371 23.587 -0.564 1.00 2.12 H new ATOM 0 HA ALA A 17 7.983 26.044 -0.334 1.00 33.54 H new ATOM 0 HB1 ALA A 17 6.409 24.717 1.021 1.00 34.13 H new ATOM 0 HB2 ALA A 17 6.869 23.872 -0.476 1.00 34.13 H new ATOM 0 HB3 ALA A 17 7.588 23.385 1.077 1.00 34.13 H new ATOM 280 N GLY A 18 9.822 25.139 2.206 1.00 51.14 N ATOM 281 CA GLY A 18 10.402 25.634 3.438 1.00 30.22 C ATOM 282 C GLY A 18 11.160 26.933 3.237 1.00 44.24 C ATOM 283 O GLY A 18 11.269 27.745 4.161 1.00 11.14 O ATOM 0 H GLY A 18 10.238 24.277 1.853 1.00 51.14 H new ATOM 0 HA2 GLY A 18 9.612 25.787 4.173 1.00 30.22 H new ATOM 0 HA3 GLY A 18 11.077 24.882 3.847 1.00 30.22 H new ATOM 287 N TYR A 19 11.673 27.138 2.027 1.00 34.05 N ATOM 288 CA TYR A 19 12.441 28.337 1.710 1.00 45.12 C ATOM 289 C TYR A 19 12.159 28.799 0.286 1.00 10.22 C ATOM 290 O TYR A 19 12.924 28.502 -0.634 1.00 41.13 O ATOM 291 CB TYR A 19 13.948 28.098 1.885 1.00 74.13 C ATOM 292 CG TYR A 19 14.402 28.042 3.327 1.00 10.41 C ATOM 293 CD1 TYR A 19 14.692 29.205 4.024 1.00 25.43 C ATOM 294 CD2 TYR A 19 14.536 26.828 3.988 1.00 61.34 C ATOM 295 CE1 TYR A 19 15.102 29.163 5.340 1.00 22.44 C ATOM 296 CE2 TYR A 19 14.943 26.779 5.305 1.00 73.24 C ATOM 297 CZ TYR A 19 15.224 27.949 5.977 1.00 34.14 C ATOM 298 OH TYR A 19 15.620 27.907 7.293 1.00 52.11 O ATOM 0 H TYR A 19 11.570 26.487 1.248 1.00 34.05 H new ATOM 0 HA TYR A 19 12.130 29.115 2.407 1.00 45.12 H new ATOM 0 HB2 TYR A 19 14.216 27.162 1.395 1.00 74.13 H new ATOM 0 HB3 TYR A 19 14.492 28.892 1.375 1.00 74.13 H new ATOM 0 HD1 TYR A 19 14.595 30.160 3.528 1.00 25.43 H new ATOM 0 HD2 TYR A 19 14.318 25.909 3.463 1.00 61.34 H new ATOM 0 HE1 TYR A 19 15.326 30.078 5.868 1.00 22.44 H new ATOM 0 HE2 TYR A 19 15.041 25.828 5.807 1.00 73.24 H new ATOM 0 HH TYR A 19 16.486 28.355 7.388 1.00 52.11 H new ATOM 308 N PRO A 20 11.048 29.524 0.079 1.00 2.25 N ATOM 309 CA PRO A 20 10.685 30.050 -1.242 1.00 33.00 C ATOM 310 C PRO A 20 11.637 31.158 -1.680 1.00 63.40 C ATOM 311 O PRO A 20 11.619 31.601 -2.828 1.00 22.41 O ATOM 312 CB PRO A 20 9.273 30.605 -1.034 1.00 62.04 C ATOM 313 CG PRO A 20 9.194 30.906 0.422 1.00 43.04 C ATOM 314 CD PRO A 20 10.053 29.879 1.108 1.00 11.52 C ATOM 0 HA PRO A 20 10.738 29.290 -2.021 1.00 33.00 H new ATOM 0 HB2 PRO A 20 9.108 31.501 -1.633 1.00 62.04 H new ATOM 0 HB3 PRO A 20 8.515 29.880 -1.330 1.00 62.04 H new ATOM 0 HG2 PRO A 20 9.550 31.915 0.631 1.00 43.04 H new ATOM 0 HG3 PRO A 20 8.164 30.852 0.776 1.00 43.04 H new ATOM 0 HD2 PRO A 20 10.527 30.284 2.002 1.00 11.52 H new ATOM 0 HD3 PRO A 20 9.471 29.012 1.420 1.00 11.52 H new ATOM 322 N GLU A 21 12.455 31.602 -0.738 1.00 2.11 N ATOM 323 CA GLU A 21 13.458 32.620 -0.989 1.00 73.24 C ATOM 324 C GLU A 21 14.818 31.977 -1.261 1.00 20.44 C ATOM 325 O GLU A 21 15.804 32.668 -1.530 1.00 40.30 O ATOM 326 CB GLU A 21 13.543 33.550 0.208 1.00 43.24 C ATOM 327 CG GLU A 21 14.000 32.847 1.458 1.00 22.23 C ATOM 328 CD GLU A 21 12.988 32.909 2.585 1.00 20.12 C ATOM 329 OE1 GLU A 21 12.093 32.040 2.633 1.00 52.40 O ATOM 330 OE2 GLU A 21 13.082 33.822 3.434 1.00 51.00 O ATOM 0 H GLU A 21 12.440 31.264 0.224 1.00 2.11 H new ATOM 0 HA GLU A 21 13.172 33.193 -1.871 1.00 73.24 H new ATOM 0 HB2 GLU A 21 14.231 34.365 -0.018 1.00 43.24 H new ATOM 0 HB3 GLU A 21 12.565 33.998 0.385 1.00 43.24 H new ATOM 0 HG2 GLU A 21 14.209 31.803 1.224 1.00 22.23 H new ATOM 0 HG3 GLU A 21 14.936 33.292 1.795 1.00 22.23 H new ATOM 337 N GLY A 22 14.855 30.650 -1.203 1.00 34.52 N ATOM 338 CA GLY A 22 16.101 29.930 -1.362 1.00 33.44 C ATOM 339 C GLY A 22 16.704 29.557 -0.024 1.00 53.53 C ATOM 340 O GLY A 22 16.529 30.279 0.956 1.00 11.30 O ATOM 0 H GLY A 22 14.038 30.059 -1.048 1.00 34.52 H new ATOM 0 HA2 GLY A 22 15.928 29.027 -1.948 1.00 33.44 H new ATOM 0 HA3 GLY A 22 16.807 30.543 -1.922 1.00 33.44 H new ATOM 344 N ILE A 23 17.394 28.425 0.029 1.00 21.02 N ATOM 345 CA ILE A 23 18.025 27.978 1.265 1.00 2.44 C ATOM 346 C ILE A 23 19.324 28.743 1.502 1.00 35.10 C ATOM 347 O ILE A 23 20.285 28.595 0.746 1.00 4.14 O ATOM 348 CB ILE A 23 18.317 26.453 1.265 1.00 73.03 C ATOM 349 CG1 ILE A 23 17.020 25.631 1.220 1.00 44.05 C ATOM 350 CG2 ILE A 23 19.131 26.065 2.491 1.00 11.14 C ATOM 351 CD1 ILE A 23 16.359 25.577 -0.143 1.00 33.31 C ATOM 0 H ILE A 23 17.531 27.801 -0.766 1.00 21.02 H new ATOM 0 HA ILE A 23 17.319 28.181 2.071 1.00 2.44 H new ATOM 0 HB ILE A 23 18.893 26.231 0.367 1.00 73.03 H new ATOM 0 HG12 ILE A 23 17.238 24.614 1.545 1.00 44.05 H new ATOM 0 HG13 ILE A 23 16.314 26.050 1.936 1.00 44.05 H new ATOM 0 HG21 ILE A 23 19.326 24.993 2.474 1.00 11.14 H new ATOM 0 HG22 ILE A 23 20.077 26.606 2.486 1.00 11.14 H new ATOM 0 HG23 ILE A 23 18.574 26.318 3.393 1.00 11.14 H new ATOM 0 HD11 ILE A 23 15.451 24.977 -0.084 1.00 33.31 H new ATOM 0 HD12 ILE A 23 16.106 26.587 -0.465 1.00 33.31 H new ATOM 0 HD13 ILE A 23 17.044 25.128 -0.862 1.00 33.31 H new ATOM 363 N PRO A 24 19.353 29.589 2.544 1.00 3.32 N ATOM 364 CA PRO A 24 20.527 30.401 2.881 1.00 71.45 C ATOM 365 C PRO A 24 21.731 29.552 3.286 1.00 31.25 C ATOM 366 O PRO A 24 21.574 28.473 3.863 1.00 10.15 O ATOM 367 CB PRO A 24 20.060 31.253 4.069 1.00 34.22 C ATOM 368 CG PRO A 24 18.572 31.171 4.057 1.00 32.44 C ATOM 369 CD PRO A 24 18.237 29.833 3.471 1.00 74.45 C ATOM 0 HA PRO A 24 20.862 30.987 2.025 1.00 71.45 H new ATOM 0 HB2 PRO A 24 20.466 30.875 5.007 1.00 34.22 H new ATOM 0 HB3 PRO A 24 20.397 32.285 3.969 1.00 34.22 H new ATOM 0 HG2 PRO A 24 18.168 31.268 5.065 1.00 32.44 H new ATOM 0 HG3 PRO A 24 18.142 31.976 3.462 1.00 32.44 H new ATOM 0 HD2 PRO A 24 18.173 29.061 4.238 1.00 74.45 H new ATOM 0 HD3 PRO A 24 17.278 29.848 2.953 1.00 74.45 H new ATOM 377 N PRO A 25 22.951 30.041 2.995 1.00 35.02 N ATOM 378 CA PRO A 25 24.201 29.345 3.334 1.00 12.04 C ATOM 379 C PRO A 25 24.297 29.014 4.819 1.00 11.40 C ATOM 380 O PRO A 25 24.790 27.952 5.200 1.00 22.20 O ATOM 381 CB PRO A 25 25.298 30.347 2.943 1.00 2.20 C ATOM 382 CG PRO A 25 24.599 31.651 2.751 1.00 24.32 C ATOM 383 CD PRO A 25 23.211 31.310 2.304 1.00 72.20 C ATOM 0 HA PRO A 25 24.278 28.388 2.819 1.00 12.04 H new ATOM 0 HB2 PRO A 25 26.058 30.420 3.721 1.00 2.20 H new ATOM 0 HB3 PRO A 25 25.806 30.036 2.030 1.00 2.20 H new ATOM 0 HG2 PRO A 25 24.581 32.225 3.678 1.00 24.32 H new ATOM 0 HG3 PRO A 25 25.110 32.262 2.007 1.00 24.32 H new ATOM 0 HD2 PRO A 25 22.494 32.080 2.588 1.00 72.20 H new ATOM 0 HD3 PRO A 25 23.150 31.201 1.221 1.00 72.20 H new ATOM 391 N THR A 26 23.808 29.929 5.644 1.00 51.12 N ATOM 392 CA THR A 26 23.828 29.765 7.087 1.00 71.04 C ATOM 393 C THR A 26 22.982 28.575 7.525 1.00 51.20 C ATOM 394 O THR A 26 23.381 27.790 8.387 1.00 74.44 O ATOM 395 CB THR A 26 23.299 31.038 7.770 1.00 21.22 C ATOM 396 OG1 THR A 26 22.141 31.514 7.063 1.00 52.23 O ATOM 397 CG2 THR A 26 24.363 32.125 7.798 1.00 51.12 C ATOM 0 H THR A 26 23.387 30.804 5.331 1.00 51.12 H new ATOM 0 HA THR A 26 24.861 29.584 7.384 1.00 71.04 H new ATOM 0 HB THR A 26 23.032 30.794 8.798 1.00 21.22 H new ATOM 0 HG1 THR A 26 21.359 30.982 7.320 1.00 52.23 H new ATOM 0 HG21 THR A 26 23.963 33.014 8.286 1.00 51.12 H new ATOM 0 HG22 THR A 26 25.233 31.769 8.350 1.00 51.12 H new ATOM 0 HG23 THR A 26 24.657 32.373 6.778 1.00 51.12 H new ATOM 405 N ASP A 27 21.827 28.434 6.897 1.00 40.23 N ATOM 406 CA ASP A 27 20.855 27.429 7.294 1.00 64.21 C ATOM 407 C ASP A 27 21.128 26.097 6.608 1.00 23.45 C ATOM 408 O ASP A 27 20.454 25.105 6.880 1.00 13.20 O ATOM 409 CB ASP A 27 19.439 27.913 6.971 1.00 62.14 C ATOM 410 CG ASP A 27 19.046 29.131 7.785 1.00 1.21 C ATOM 411 OD1 ASP A 27 19.560 30.236 7.504 1.00 22.33 O ATOM 412 OD2 ASP A 27 18.228 28.990 8.716 1.00 12.42 O ATOM 0 H ASP A 27 21.538 29.007 6.104 1.00 40.23 H new ATOM 0 HA ASP A 27 20.944 27.276 8.370 1.00 64.21 H new ATOM 0 HB2 ASP A 27 19.373 28.152 5.910 1.00 62.14 H new ATOM 0 HB3 ASP A 27 18.730 27.107 7.162 1.00 62.14 H new ATOM 417 N SER A 28 22.129 26.077 5.735 1.00 54.23 N ATOM 418 CA SER A 28 22.513 24.857 5.029 1.00 53.34 C ATOM 419 C SER A 28 22.887 23.757 6.022 1.00 42.43 C ATOM 420 O SER A 28 22.434 22.619 5.904 1.00 42.13 O ATOM 421 CB SER A 28 23.687 25.141 4.086 1.00 4.45 C ATOM 422 OG SER A 28 24.056 23.986 3.354 1.00 12.42 O ATOM 0 H SER A 28 22.692 26.894 5.498 1.00 54.23 H new ATOM 0 HA SER A 28 21.662 24.515 4.440 1.00 53.34 H new ATOM 0 HB2 SER A 28 23.415 25.939 3.395 1.00 4.45 H new ATOM 0 HB3 SER A 28 24.541 25.496 4.663 1.00 4.45 H new ATOM 0 HG SER A 28 24.806 24.200 2.761 1.00 12.42 H new ATOM 428 N PHE A 29 23.690 24.115 7.021 1.00 42.55 N ATOM 429 CA PHE A 29 24.131 23.161 8.035 1.00 4.12 C ATOM 430 C PHE A 29 22.949 22.667 8.864 1.00 35.43 C ATOM 431 O PHE A 29 22.939 21.534 9.341 1.00 12.15 O ATOM 432 CB PHE A 29 25.178 23.797 8.953 1.00 33.34 C ATOM 433 CG PHE A 29 26.485 24.109 8.274 1.00 34.33 C ATOM 434 CD1 PHE A 29 26.594 25.173 7.394 1.00 60.53 C ATOM 435 CD2 PHE A 29 27.610 23.340 8.529 1.00 24.54 C ATOM 436 CE1 PHE A 29 27.797 25.464 6.782 1.00 42.44 C ATOM 437 CE2 PHE A 29 28.816 23.626 7.917 1.00 25.20 C ATOM 438 CZ PHE A 29 28.908 24.689 7.044 1.00 14.20 C ATOM 0 H PHE A 29 24.049 25.061 7.150 1.00 42.55 H new ATOM 0 HA PHE A 29 24.580 22.310 7.522 1.00 4.12 H new ATOM 0 HB2 PHE A 29 24.769 24.717 9.369 1.00 33.34 H new ATOM 0 HB3 PHE A 29 25.367 23.125 9.790 1.00 33.34 H new ATOM 0 HD1 PHE A 29 25.727 25.782 7.184 1.00 60.53 H new ATOM 0 HD2 PHE A 29 27.543 22.508 9.214 1.00 24.54 H new ATOM 0 HE1 PHE A 29 27.868 26.297 6.099 1.00 42.44 H new ATOM 0 HE2 PHE A 29 29.685 23.018 8.122 1.00 25.20 H new ATOM 0 HZ PHE A 29 29.849 24.915 6.565 1.00 14.20 H new ATOM 448 N ALA A 30 21.949 23.523 9.022 1.00 14.21 N ATOM 449 CA ALA A 30 20.754 23.170 9.768 1.00 35.22 C ATOM 450 C ALA A 30 19.899 22.188 8.967 1.00 13.34 C ATOM 451 O ALA A 30 19.423 21.177 9.498 1.00 31.42 O ATOM 452 CB ALA A 30 19.970 24.425 10.117 1.00 43.15 C ATOM 0 H ALA A 30 21.944 24.469 8.641 1.00 14.21 H new ATOM 0 HA ALA A 30 21.044 22.680 10.697 1.00 35.22 H new ATOM 0 HB1 ALA A 30 19.075 24.151 10.676 1.00 43.15 H new ATOM 0 HB2 ALA A 30 20.590 25.084 10.724 1.00 43.15 H new ATOM 0 HB3 ALA A 30 19.682 24.940 9.201 1.00 43.15 H new ATOM 458 N VAL A 31 19.724 22.486 7.681 1.00 22.11 N ATOM 459 CA VAL A 31 19.035 21.579 6.769 1.00 35.35 C ATOM 460 C VAL A 31 19.751 20.232 6.755 1.00 24.34 C ATOM 461 O VAL A 31 19.119 19.174 6.799 1.00 23.22 O ATOM 462 CB VAL A 31 18.975 22.155 5.335 1.00 1.31 C ATOM 463 CG1 VAL A 31 18.285 21.187 4.385 1.00 65.31 C ATOM 464 CG2 VAL A 31 18.263 23.498 5.325 1.00 4.31 C ATOM 0 H VAL A 31 20.051 23.350 7.248 1.00 22.11 H new ATOM 0 HA VAL A 31 18.011 21.453 7.122 1.00 35.35 H new ATOM 0 HB VAL A 31 19.999 22.300 4.991 1.00 1.31 H new ATOM 0 HG11 VAL A 31 18.257 21.618 3.384 1.00 65.31 H new ATOM 0 HG12 VAL A 31 18.836 20.247 4.360 1.00 65.31 H new ATOM 0 HG13 VAL A 31 17.267 21.002 4.729 1.00 65.31 H new ATOM 0 HG21 VAL A 31 18.232 23.886 4.307 1.00 4.31 H new ATOM 0 HG22 VAL A 31 17.246 23.373 5.697 1.00 4.31 H new ATOM 0 HG23 VAL A 31 18.800 24.199 5.964 1.00 4.31 H new ATOM 474 N LEU A 32 21.077 20.294 6.713 1.00 10.50 N ATOM 475 CA LEU A 32 21.919 19.111 6.833 1.00 25.41 C ATOM 476 C LEU A 32 21.577 18.327 8.095 1.00 40.04 C ATOM 477 O LEU A 32 21.373 17.115 8.045 1.00 73.03 O ATOM 478 CB LEU A 32 23.392 19.528 6.867 1.00 30.42 C ATOM 479 CG LEU A 32 24.351 18.515 7.497 1.00 42.24 C ATOM 480 CD1 LEU A 32 24.449 17.258 6.648 1.00 63.55 C ATOM 481 CD2 LEU A 32 25.721 19.141 7.704 1.00 45.32 C ATOM 0 H LEU A 32 21.597 21.164 6.595 1.00 10.50 H new ATOM 0 HA LEU A 32 21.739 18.470 5.970 1.00 25.41 H new ATOM 0 HB2 LEU A 32 23.719 19.725 5.846 1.00 30.42 H new ATOM 0 HB3 LEU A 32 23.473 20.467 7.414 1.00 30.42 H new ATOM 0 HG LEU A 32 23.955 18.227 8.471 1.00 42.24 H new ATOM 0 HD11 LEU A 32 25.137 16.554 7.118 1.00 63.55 H new ATOM 0 HD12 LEU A 32 23.464 16.800 6.561 1.00 63.55 H new ATOM 0 HD13 LEU A 32 24.817 17.517 5.655 1.00 63.55 H new ATOM 0 HD21 LEU A 32 26.392 18.408 8.153 1.00 45.32 H new ATOM 0 HD22 LEU A 32 26.124 19.461 6.743 1.00 45.32 H new ATOM 0 HD23 LEU A 32 25.631 20.003 8.365 1.00 45.32 H new ATOM 493 N ALA A 33 21.505 19.033 9.218 1.00 25.31 N ATOM 494 CA ALA A 33 21.224 18.408 10.503 1.00 12.22 C ATOM 495 C ALA A 33 19.902 17.653 10.478 1.00 4.10 C ATOM 496 O ALA A 33 19.830 16.505 10.914 1.00 40.14 O ATOM 497 CB ALA A 33 21.217 19.450 11.611 1.00 3.22 C ATOM 0 H ALA A 33 21.638 20.043 9.263 1.00 25.31 H new ATOM 0 HA ALA A 33 22.017 17.687 10.702 1.00 12.22 H new ATOM 0 HB1 ALA A 33 21.005 18.966 12.564 1.00 3.22 H new ATOM 0 HB2 ALA A 33 22.191 19.936 11.659 1.00 3.22 H new ATOM 0 HB3 ALA A 33 20.449 20.196 11.404 1.00 3.22 H new ATOM 503 N LEU A 34 18.860 18.293 9.963 1.00 53.14 N ATOM 504 CA LEU A 34 17.542 17.663 9.910 1.00 63.15 C ATOM 505 C LEU A 34 17.504 16.500 8.920 1.00 74.13 C ATOM 506 O LEU A 34 16.990 15.425 9.237 1.00 75.13 O ATOM 507 CB LEU A 34 16.453 18.688 9.567 1.00 2.44 C ATOM 508 CG LEU A 34 15.865 19.441 10.764 1.00 20.15 C ATOM 509 CD1 LEU A 34 15.325 18.463 11.796 1.00 40.53 C ATOM 510 CD2 LEU A 34 16.904 20.348 11.391 1.00 2.14 C ATOM 0 H LEU A 34 18.898 19.237 9.579 1.00 53.14 H new ATOM 0 HA LEU A 34 17.343 17.261 10.904 1.00 63.15 H new ATOM 0 HB2 LEU A 34 16.868 19.415 8.869 1.00 2.44 H new ATOM 0 HB3 LEU A 34 15.644 18.174 9.048 1.00 2.44 H new ATOM 0 HG LEU A 34 15.041 20.059 10.406 1.00 20.15 H new ATOM 0 HD11 LEU A 34 14.911 19.016 12.639 1.00 40.53 H new ATOM 0 HD12 LEU A 34 14.544 17.852 11.344 1.00 40.53 H new ATOM 0 HD13 LEU A 34 16.133 17.820 12.145 1.00 40.53 H new ATOM 0 HD21 LEU A 34 16.464 20.873 12.239 1.00 2.14 H new ATOM 0 HD22 LEU A 34 17.750 19.751 11.732 1.00 2.14 H new ATOM 0 HD23 LEU A 34 17.246 21.074 10.653 1.00 2.14 H new ATOM 522 N LEU A 35 18.059 16.705 7.732 1.00 33.13 N ATOM 523 CA LEU A 35 17.999 15.693 6.682 1.00 40.52 C ATOM 524 C LEU A 35 18.830 14.459 7.026 1.00 5.24 C ATOM 525 O LEU A 35 18.402 13.332 6.777 1.00 72.35 O ATOM 526 CB LEU A 35 18.469 16.270 5.343 1.00 55.52 C ATOM 527 CG LEU A 35 17.554 17.329 4.722 1.00 3.21 C ATOM 528 CD1 LEU A 35 18.096 17.767 3.369 1.00 51.22 C ATOM 529 CD2 LEU A 35 16.133 16.797 4.584 1.00 64.40 C ATOM 0 H LEU A 35 18.554 17.558 7.471 1.00 33.13 H new ATOM 0 HA LEU A 35 16.956 15.387 6.599 1.00 40.52 H new ATOM 0 HB2 LEU A 35 19.458 16.707 5.483 1.00 55.52 H new ATOM 0 HB3 LEU A 35 18.580 15.450 4.633 1.00 55.52 H new ATOM 0 HG LEU A 35 17.530 18.196 5.383 1.00 3.21 H new ATOM 0 HD11 LEU A 35 17.436 18.520 2.939 1.00 51.22 H new ATOM 0 HD12 LEU A 35 19.093 18.189 3.496 1.00 51.22 H new ATOM 0 HD13 LEU A 35 18.148 16.906 2.702 1.00 51.22 H new ATOM 0 HD21 LEU A 35 15.499 17.565 4.141 1.00 64.40 H new ATOM 0 HD22 LEU A 35 16.135 15.914 3.944 1.00 64.40 H new ATOM 0 HD23 LEU A 35 15.747 16.531 5.568 1.00 64.40 H new ATOM 541 N CYS A 36 20.004 14.673 7.614 1.00 33.14 N ATOM 542 CA CYS A 36 20.943 13.584 7.883 1.00 11.42 C ATOM 543 C CYS A 36 20.388 12.600 8.915 1.00 12.21 C ATOM 544 O CYS A 36 20.774 11.430 8.939 1.00 70.34 O ATOM 545 CB CYS A 36 22.284 14.147 8.360 1.00 4.50 C ATOM 546 SG CYS A 36 23.618 12.930 8.436 1.00 54.32 S ATOM 0 H CYS A 36 20.330 15.592 7.914 1.00 33.14 H new ATOM 0 HA CYS A 36 21.092 13.039 6.951 1.00 11.42 H new ATOM 0 HB2 CYS A 36 22.583 14.955 7.693 1.00 4.50 H new ATOM 0 HB3 CYS A 36 22.150 14.584 9.350 1.00 4.50 H new ATOM 0 HG CYS A 36 24.736 13.529 8.724 1.00 54.32 H new ATOM 552 N ARG A 37 19.473 13.071 9.758 1.00 51.20 N ATOM 553 CA ARG A 37 18.861 12.212 10.769 1.00 34.43 C ATOM 554 C ARG A 37 17.894 11.235 10.116 1.00 14.35 C ATOM 555 O ARG A 37 17.585 10.180 10.670 1.00 42.53 O ATOM 556 CB ARG A 37 18.110 13.034 11.819 1.00 32.30 C ATOM 557 CG ARG A 37 18.960 14.085 12.509 1.00 43.23 C ATOM 558 CD ARG A 37 18.170 14.813 13.585 1.00 5.05 C ATOM 559 NE ARG A 37 18.175 14.097 14.864 1.00 43.43 N ATOM 560 CZ ARG A 37 17.114 13.478 15.391 1.00 2.44 C ATOM 561 NH1 ARG A 37 15.976 13.396 14.710 1.00 61.42 N ATOM 562 NH2 ARG A 37 17.200 12.936 16.599 1.00 55.24 N ATOM 0 H ARG A 37 19.141 14.035 9.762 1.00 51.20 H new ATOM 0 HA ARG A 37 19.664 11.664 11.263 1.00 34.43 H new ATOM 0 HB2 ARG A 37 17.262 13.525 11.342 1.00 32.30 H new ATOM 0 HB3 ARG A 37 17.705 12.358 12.572 1.00 32.30 H new ATOM 0 HG2 ARG A 37 19.836 13.613 12.954 1.00 43.23 H new ATOM 0 HG3 ARG A 37 19.324 14.802 11.773 1.00 43.23 H new ATOM 0 HD2 ARG A 37 18.589 15.809 13.728 1.00 5.05 H new ATOM 0 HD3 ARG A 37 17.141 14.945 13.250 1.00 5.05 H new ATOM 0 HE ARG A 37 19.049 14.069 15.389 1.00 43.43 H new ATOM 0 HH11 ARG A 37 15.908 13.807 13.779 1.00 61.42 H new ATOM 0 HH12 ARG A 37 15.170 12.922 15.118 1.00 61.42 H new ATOM 0 HH21 ARG A 37 18.074 12.993 17.122 1.00 55.24 H new ATOM 0 HH22 ARG A 37 16.392 12.463 17.004 1.00 55.24 H new ATOM 576 N ARG A 38 17.417 11.596 8.933 1.00 2.53 N ATOM 577 CA ARG A 38 16.437 10.786 8.231 1.00 2.05 C ATOM 578 C ARG A 38 17.089 9.996 7.106 1.00 61.41 C ATOM 579 O ARG A 38 16.990 8.771 7.056 1.00 11.31 O ATOM 580 CB ARG A 38 15.319 11.665 7.659 1.00 23.14 C ATOM 581 CG ARG A 38 14.225 10.875 6.948 1.00 24.55 C ATOM 582 CD ARG A 38 13.285 10.179 7.927 1.00 5.44 C ATOM 583 NE ARG A 38 13.985 9.269 8.840 1.00 52.14 N ATOM 584 CZ ARG A 38 14.057 9.438 10.167 1.00 24.15 C ATOM 585 NH1 ARG A 38 13.395 10.429 10.758 1.00 53.54 N ATOM 586 NH2 ARG A 38 14.781 8.603 10.903 1.00 25.01 N ATOM 0 H ARG A 38 17.694 12.445 8.441 1.00 2.53 H new ATOM 0 HA ARG A 38 16.010 10.087 8.950 1.00 2.05 H new ATOM 0 HB2 ARG A 38 14.871 12.242 8.468 1.00 23.14 H new ATOM 0 HB3 ARG A 38 15.752 12.380 6.960 1.00 23.14 H new ATOM 0 HG2 ARG A 38 13.650 11.547 6.311 1.00 24.55 H new ATOM 0 HG3 ARG A 38 14.682 10.131 6.296 1.00 24.55 H new ATOM 0 HD2 ARG A 38 12.753 10.931 8.509 1.00 5.44 H new ATOM 0 HD3 ARG A 38 12.535 9.619 7.368 1.00 5.44 H new ATOM 0 HE ARG A 38 14.448 8.454 8.438 1.00 52.14 H new ATOM 0 HH11 ARG A 38 12.827 11.067 10.200 1.00 53.54 H new ATOM 0 HH12 ARG A 38 13.455 10.551 11.769 1.00 53.54 H new ATOM 0 HH21 ARG A 38 15.282 7.834 10.458 1.00 25.01 H new ATOM 0 HH22 ARG A 38 14.837 8.731 11.913 1.00 25.01 H new ATOM 600 N LEU A 39 17.760 10.703 6.216 1.00 65.23 N ATOM 601 CA LEU A 39 18.314 10.093 5.025 1.00 20.15 C ATOM 602 C LEU A 39 19.831 10.211 5.016 1.00 65.21 C ATOM 603 O LEU A 39 20.401 11.079 5.675 1.00 43.15 O ATOM 604 CB LEU A 39 17.705 10.746 3.782 1.00 10.31 C ATOM 605 CG LEU A 39 16.198 10.520 3.608 1.00 51.21 C ATOM 606 CD1 LEU A 39 15.664 11.358 2.456 1.00 2.22 C ATOM 607 CD2 LEU A 39 15.909 9.046 3.365 1.00 20.33 C ATOM 0 H LEU A 39 17.934 11.705 6.297 1.00 65.23 H new ATOM 0 HA LEU A 39 18.066 9.032 5.020 1.00 20.15 H new ATOM 0 HB2 LEU A 39 17.895 11.819 3.823 1.00 10.31 H new ATOM 0 HB3 LEU A 39 18.219 10.365 2.900 1.00 10.31 H new ATOM 0 HG LEU A 39 15.694 10.828 4.524 1.00 51.21 H new ATOM 0 HD11 LEU A 39 14.593 11.186 2.346 1.00 2.22 H new ATOM 0 HD12 LEU A 39 15.842 12.414 2.661 1.00 2.22 H new ATOM 0 HD13 LEU A 39 16.173 11.076 1.534 1.00 2.22 H new ATOM 0 HD21 LEU A 39 14.836 8.901 3.243 1.00 20.33 H new ATOM 0 HD22 LEU A 39 16.424 8.718 2.462 1.00 20.33 H new ATOM 0 HD23 LEU A 39 16.260 8.461 4.215 1.00 20.33 H new ATOM 619 N SER A 40 20.475 9.331 4.268 1.00 0.33 N ATOM 620 CA SER A 40 21.925 9.240 4.266 1.00 2.24 C ATOM 621 C SER A 40 22.572 10.377 3.469 1.00 60.02 C ATOM 622 O SER A 40 21.906 11.079 2.706 1.00 20.13 O ATOM 623 CB SER A 40 22.343 7.883 3.709 1.00 31.30 C ATOM 624 OG SER A 40 21.745 6.830 4.450 1.00 44.04 O ATOM 0 H SER A 40 20.012 8.665 3.650 1.00 0.33 H new ATOM 0 HA SER A 40 22.276 9.339 5.293 1.00 2.24 H new ATOM 0 HB2 SER A 40 22.051 7.809 2.662 1.00 31.30 H new ATOM 0 HB3 SER A 40 23.428 7.789 3.745 1.00 31.30 H new ATOM 0 HG SER A 40 22.024 5.968 4.077 1.00 44.04 H new ATOM 630 N HIS A 41 23.881 10.530 3.653 1.00 13.31 N ATOM 631 CA HIS A 41 24.645 11.638 3.071 1.00 75.25 C ATOM 632 C HIS A 41 24.535 11.720 1.547 1.00 41.11 C ATOM 633 O HIS A 41 24.396 12.807 0.999 1.00 41.13 O ATOM 634 CB HIS A 41 26.125 11.571 3.491 1.00 10.05 C ATOM 635 CG HIS A 41 26.741 10.199 3.426 1.00 74.22 C ATOM 636 ND1 HIS A 41 27.414 9.712 2.326 1.00 64.11 N ATOM 637 CD2 HIS A 41 26.782 9.210 4.352 1.00 31.41 C ATOM 638 CE1 HIS A 41 27.839 8.488 2.578 1.00 64.54 C ATOM 639 NE2 HIS A 41 27.469 8.159 3.800 1.00 43.23 N ATOM 0 H HIS A 41 24.446 9.889 4.211 1.00 13.31 H new ATOM 0 HA HIS A 41 24.196 12.548 3.469 1.00 75.25 H new ATOM 0 HB2 HIS A 41 26.700 12.242 2.852 1.00 10.05 H new ATOM 0 HB3 HIS A 41 26.216 11.946 4.510 1.00 10.05 H new ATOM 0 HD1 HIS A 41 27.561 10.219 1.453 1.00 64.11 H new ATOM 0 HD2 HIS A 41 26.353 9.243 5.342 1.00 31.41 H new ATOM 0 HE1 HIS A 41 28.396 7.861 1.898 1.00 64.54 H new ATOM 648 N ASP A 42 24.612 10.598 0.851 1.00 23.54 N ATOM 649 CA ASP A 42 24.513 10.629 -0.606 1.00 0.05 C ATOM 650 C ASP A 42 23.075 10.822 -1.052 1.00 12.44 C ATOM 651 O ASP A 42 22.817 11.343 -2.135 1.00 21.11 O ATOM 652 CB ASP A 42 25.120 9.379 -1.245 1.00 61.05 C ATOM 653 CG ASP A 42 26.617 9.508 -1.411 1.00 60.32 C ATOM 654 OD1 ASP A 42 27.362 9.154 -0.475 1.00 63.43 O ATOM 655 OD2 ASP A 42 27.067 9.994 -2.474 1.00 11.00 O ATOM 0 H ASP A 42 24.740 9.671 1.256 1.00 23.54 H new ATOM 0 HA ASP A 42 25.094 11.485 -0.950 1.00 0.05 H new ATOM 0 HB2 ASP A 42 24.896 8.509 -0.628 1.00 61.05 H new ATOM 0 HB3 ASP A 42 24.659 9.207 -2.218 1.00 61.05 H new ATOM 660 N GLU A 43 22.140 10.403 -0.212 1.00 14.52 N ATOM 661 CA GLU A 43 20.729 10.610 -0.486 1.00 51.01 C ATOM 662 C GLU A 43 20.408 12.099 -0.440 1.00 73.32 C ATOM 663 O GLU A 43 19.811 12.651 -1.371 1.00 20.03 O ATOM 664 CB GLU A 43 19.876 9.859 0.536 1.00 51.22 C ATOM 665 CG GLU A 43 18.664 9.182 -0.078 1.00 54.12 C ATOM 666 CD GLU A 43 19.065 8.168 -1.124 1.00 74.12 C ATOM 667 OE1 GLU A 43 19.400 7.025 -0.747 1.00 43.22 O ATOM 668 OE2 GLU A 43 19.064 8.509 -2.323 1.00 44.24 O ATOM 0 H GLU A 43 22.335 9.918 0.664 1.00 14.52 H new ATOM 0 HA GLU A 43 20.502 10.226 -1.480 1.00 51.01 H new ATOM 0 HB2 GLU A 43 20.491 9.108 1.031 1.00 51.22 H new ATOM 0 HB3 GLU A 43 19.544 10.557 1.305 1.00 51.22 H new ATOM 0 HG2 GLU A 43 18.086 8.690 0.704 1.00 54.12 H new ATOM 0 HG3 GLU A 43 18.016 9.934 -0.528 1.00 54.12 H new ATOM 675 N VAL A 44 20.832 12.750 0.638 1.00 12.04 N ATOM 676 CA VAL A 44 20.638 14.183 0.788 1.00 64.12 C ATOM 677 C VAL A 44 21.478 14.946 -0.239 1.00 44.32 C ATOM 678 O VAL A 44 21.078 16.003 -0.722 1.00 4.42 O ATOM 679 CB VAL A 44 20.957 14.669 2.226 1.00 64.34 C ATOM 680 CG1 VAL A 44 20.047 13.975 3.227 1.00 55.54 C ATOM 681 CG2 VAL A 44 22.414 14.443 2.593 1.00 41.02 C ATOM 0 H VAL A 44 21.312 12.305 1.420 1.00 12.04 H new ATOM 0 HA VAL A 44 19.583 14.389 0.606 1.00 64.12 H new ATOM 0 HB VAL A 44 20.776 15.743 2.258 1.00 64.34 H new ATOM 0 HG11 VAL A 44 20.280 14.324 4.233 1.00 55.54 H new ATOM 0 HG12 VAL A 44 19.007 14.206 2.994 1.00 55.54 H new ATOM 0 HG13 VAL A 44 20.201 12.897 3.172 1.00 55.54 H new ATOM 0 HG21 VAL A 44 22.593 14.798 3.608 1.00 41.02 H new ATOM 0 HG22 VAL A 44 22.643 13.379 2.535 1.00 41.02 H new ATOM 0 HG23 VAL A 44 23.053 14.990 1.900 1.00 41.02 H new ATOM 691 N LYS A 45 22.638 14.390 -0.575 1.00 40.31 N ATOM 692 CA LYS A 45 23.482 14.941 -1.626 1.00 12.13 C ATOM 693 C LYS A 45 22.729 14.954 -2.952 1.00 13.43 C ATOM 694 O LYS A 45 22.730 15.954 -3.668 1.00 15.20 O ATOM 695 CB LYS A 45 24.765 14.110 -1.764 1.00 61.33 C ATOM 696 CG LYS A 45 25.710 14.597 -2.851 1.00 2.02 C ATOM 697 CD LYS A 45 26.817 13.587 -3.116 1.00 33.13 C ATOM 698 CE LYS A 45 27.631 13.296 -1.863 1.00 75.13 C ATOM 699 NZ LYS A 45 28.624 12.215 -2.087 1.00 24.32 N ATOM 0 H LYS A 45 23.015 13.553 -0.131 1.00 40.31 H new ATOM 0 HA LYS A 45 23.748 15.964 -1.359 1.00 12.13 H new ATOM 0 HB2 LYS A 45 25.293 14.116 -0.810 1.00 61.33 H new ATOM 0 HB3 LYS A 45 24.493 13.075 -1.971 1.00 61.33 H new ATOM 0 HG2 LYS A 45 25.150 14.775 -3.769 1.00 2.02 H new ATOM 0 HG3 LYS A 45 26.148 15.550 -2.555 1.00 2.02 H new ATOM 0 HD2 LYS A 45 26.381 12.660 -3.489 1.00 33.13 H new ATOM 0 HD3 LYS A 45 27.476 13.967 -3.897 1.00 33.13 H new ATOM 0 HE2 LYS A 45 28.146 14.203 -1.546 1.00 75.13 H new ATOM 0 HE3 LYS A 45 26.960 13.011 -1.052 1.00 75.13 H new ATOM 0 HZ1 LYS A 45 29.099 11.988 -1.190 1.00 24.32 H new ATOM 0 HZ2 LYS A 45 28.140 11.368 -2.446 1.00 24.32 H new ATOM 0 HZ3 LYS A 45 29.330 12.531 -2.782 1.00 24.32 H new ATOM 713 N ALA A 46 22.072 13.841 -3.256 1.00 24.01 N ATOM 714 CA ALA A 46 21.343 13.696 -4.505 1.00 74.23 C ATOM 715 C ALA A 46 20.150 14.645 -4.570 1.00 34.34 C ATOM 716 O ALA A 46 19.975 15.353 -5.563 1.00 23.14 O ATOM 717 CB ALA A 46 20.887 12.258 -4.683 1.00 34.25 C ATOM 0 H ALA A 46 22.031 13.022 -2.649 1.00 24.01 H new ATOM 0 HA ALA A 46 22.019 13.958 -5.319 1.00 74.23 H new ATOM 0 HB1 ALA A 46 20.342 12.163 -5.622 1.00 34.25 H new ATOM 0 HB2 ALA A 46 21.756 11.600 -4.699 1.00 34.25 H new ATOM 0 HB3 ALA A 46 20.235 11.978 -3.855 1.00 34.25 H new ATOM 723 N VAL A 47 19.341 14.670 -3.513 1.00 63.11 N ATOM 724 CA VAL A 47 18.154 15.524 -3.492 1.00 5.15 C ATOM 725 C VAL A 47 18.542 17.005 -3.543 1.00 71.40 C ATOM 726 O VAL A 47 17.884 17.798 -4.214 1.00 3.44 O ATOM 727 CB VAL A 47 17.245 15.239 -2.266 1.00 52.11 C ATOM 728 CG1 VAL A 47 17.947 15.557 -0.954 1.00 2.14 C ATOM 729 CG2 VAL A 47 15.940 16.010 -2.372 1.00 1.32 C ATOM 0 H VAL A 47 19.482 14.116 -2.668 1.00 63.11 H new ATOM 0 HA VAL A 47 17.577 15.284 -4.385 1.00 5.15 H new ATOM 0 HB VAL A 47 17.022 14.172 -2.269 1.00 52.11 H new ATOM 0 HG11 VAL A 47 17.276 15.344 -0.122 1.00 2.14 H new ATOM 0 HG12 VAL A 47 18.844 14.944 -0.864 1.00 2.14 H new ATOM 0 HG13 VAL A 47 18.224 16.611 -0.936 1.00 2.14 H new ATOM 0 HG21 VAL A 47 15.319 15.795 -1.502 1.00 1.32 H new ATOM 0 HG22 VAL A 47 16.151 17.079 -2.412 1.00 1.32 H new ATOM 0 HG23 VAL A 47 15.413 15.710 -3.278 1.00 1.32 H new ATOM 739 N ALA A 48 19.631 17.368 -2.874 1.00 53.54 N ATOM 740 CA ALA A 48 20.116 18.741 -2.915 1.00 3.21 C ATOM 741 C ALA A 48 20.691 19.062 -4.289 1.00 22.54 C ATOM 742 O ALA A 48 20.548 20.177 -4.790 1.00 13.30 O ATOM 743 CB ALA A 48 21.155 18.978 -1.831 1.00 15.11 C ATOM 0 H ALA A 48 20.190 16.736 -2.301 1.00 53.54 H new ATOM 0 HA ALA A 48 19.274 19.407 -2.729 1.00 3.21 H new ATOM 0 HB1 ALA A 48 21.503 20.010 -1.880 1.00 15.11 H new ATOM 0 HB2 ALA A 48 20.710 18.791 -0.854 1.00 15.11 H new ATOM 0 HB3 ALA A 48 21.998 18.303 -1.981 1.00 15.11 H new ATOM 749 N ASN A 49 21.335 18.071 -4.895 1.00 73.23 N ATOM 750 CA ASN A 49 21.909 18.217 -6.229 1.00 11.34 C ATOM 751 C ASN A 49 20.820 18.503 -7.260 1.00 21.14 C ATOM 752 O ASN A 49 20.925 19.455 -8.034 1.00 34.35 O ATOM 753 CB ASN A 49 22.689 16.953 -6.614 1.00 24.22 C ATOM 754 CG ASN A 49 23.242 17.001 -8.027 1.00 72.24 C ATOM 755 OD1 ASN A 49 22.577 16.591 -8.977 1.00 13.43 O ATOM 756 ND2 ASN A 49 24.468 17.483 -8.175 1.00 34.41 N ATOM 0 H ASN A 49 21.474 17.150 -4.480 1.00 73.23 H new ATOM 0 HA ASN A 49 22.596 19.063 -6.215 1.00 11.34 H new ATOM 0 HB2 ASN A 49 23.512 16.814 -5.913 1.00 24.22 H new ATOM 0 HB3 ASN A 49 22.036 16.086 -6.515 1.00 24.22 H new ATOM 0 HD21 ASN A 49 24.892 17.523 -9.102 1.00 34.41 H new ATOM 0 HD22 ASN A 49 24.988 17.814 -7.362 1.00 34.41 H new ATOM 763 N GLU A 50 19.763 17.696 -7.252 1.00 63.12 N ATOM 764 CA GLU A 50 18.671 17.878 -8.201 1.00 22.12 C ATOM 765 C GLU A 50 17.853 19.117 -7.846 1.00 22.40 C ATOM 766 O GLU A 50 17.296 19.774 -8.724 1.00 61.11 O ATOM 767 CB GLU A 50 17.781 16.629 -8.267 1.00 3.54 C ATOM 768 CG GLU A 50 17.102 16.263 -6.956 1.00 54.34 C ATOM 769 CD GLU A 50 16.413 14.913 -7.021 1.00 12.15 C ATOM 770 OE1 GLU A 50 17.112 13.876 -6.951 1.00 13.25 O ATOM 771 OE2 GLU A 50 15.172 14.878 -7.156 1.00 72.03 O ATOM 0 H GLU A 50 19.640 16.917 -6.605 1.00 63.12 H new ATOM 0 HA GLU A 50 19.103 18.027 -9.191 1.00 22.12 H new ATOM 0 HB2 GLU A 50 17.015 16.785 -9.026 1.00 3.54 H new ATOM 0 HB3 GLU A 50 18.387 15.784 -8.595 1.00 3.54 H new ATOM 0 HG2 GLU A 50 17.843 16.252 -6.157 1.00 54.34 H new ATOM 0 HG3 GLU A 50 16.370 17.030 -6.702 1.00 54.34 H new ATOM 778 N LEU A 51 17.801 19.448 -6.560 1.00 72.23 N ATOM 779 CA LEU A 51 17.125 20.658 -6.115 1.00 55.41 C ATOM 780 C LEU A 51 17.858 21.897 -6.636 1.00 24.41 C ATOM 781 O LEU A 51 17.238 22.886 -7.030 1.00 62.31 O ATOM 782 CB LEU A 51 17.032 20.686 -4.585 1.00 14.10 C ATOM 783 CG LEU A 51 16.236 21.855 -3.994 1.00 34.30 C ATOM 784 CD1 LEU A 51 14.836 21.909 -4.584 1.00 63.41 C ATOM 785 CD2 LEU A 51 16.167 21.737 -2.479 1.00 30.24 C ATOM 0 H LEU A 51 18.218 18.896 -5.811 1.00 72.23 H new ATOM 0 HA LEU A 51 16.113 20.662 -6.519 1.00 55.41 H new ATOM 0 HB2 LEU A 51 16.579 19.754 -4.249 1.00 14.10 H new ATOM 0 HB3 LEU A 51 18.043 20.714 -4.177 1.00 14.10 H new ATOM 0 HG LEU A 51 16.750 22.781 -4.250 1.00 34.30 H new ATOM 0 HD11 LEU A 51 14.290 22.746 -4.150 1.00 63.41 H new ATOM 0 HD12 LEU A 51 14.901 22.040 -5.664 1.00 63.41 H new ATOM 0 HD13 LEU A 51 14.311 20.980 -4.362 1.00 63.41 H new ATOM 0 HD21 LEU A 51 15.599 22.574 -2.074 1.00 30.24 H new ATOM 0 HD22 LEU A 51 15.677 20.802 -2.209 1.00 30.24 H new ATOM 0 HD23 LEU A 51 17.176 21.750 -2.067 1.00 30.24 H new ATOM 797 N MET A 52 19.185 21.828 -6.651 1.00 34.31 N ATOM 798 CA MET A 52 20.000 22.896 -7.222 1.00 22.22 C ATOM 799 C MET A 52 19.842 22.937 -8.738 1.00 41.23 C ATOM 800 O MET A 52 19.882 24.007 -9.344 1.00 64.42 O ATOM 801 CB MET A 52 21.480 22.712 -6.872 1.00 43.15 C ATOM 802 CG MET A 52 21.839 23.099 -5.445 1.00 23.10 C ATOM 803 SD MET A 52 23.604 22.915 -5.113 1.00 2.50 S ATOM 804 CE MET A 52 23.730 23.722 -3.519 1.00 45.22 C ATOM 0 H MET A 52 19.719 21.045 -6.275 1.00 34.31 H new ATOM 0 HA MET A 52 19.653 23.837 -6.795 1.00 22.22 H new ATOM 0 HB2 MET A 52 21.752 21.669 -7.032 1.00 43.15 H new ATOM 0 HB3 MET A 52 22.081 23.308 -7.560 1.00 43.15 H new ATOM 0 HG2 MET A 52 21.543 24.132 -5.265 1.00 23.10 H new ATOM 0 HG3 MET A 52 21.273 22.480 -4.749 1.00 23.10 H new ATOM 0 HE1 MET A 52 24.717 23.539 -3.095 1.00 45.22 H new ATOM 0 HE2 MET A 52 23.581 24.795 -3.642 1.00 45.22 H new ATOM 0 HE3 MET A 52 22.968 23.324 -2.849 1.00 45.22 H new ATOM 814 N ARG A 53 19.648 21.765 -9.336 1.00 0.12 N ATOM 815 CA ARG A 53 19.551 21.635 -10.787 1.00 31.34 C ATOM 816 C ARG A 53 18.402 22.476 -11.349 1.00 53.14 C ATOM 817 O ARG A 53 18.550 23.130 -12.381 1.00 11.32 O ATOM 818 CB ARG A 53 19.344 20.169 -11.177 1.00 43.45 C ATOM 819 CG ARG A 53 19.532 19.901 -12.662 1.00 71.50 C ATOM 820 CD ARG A 53 21.004 19.809 -13.026 1.00 51.30 C ATOM 821 NE ARG A 53 21.606 18.569 -12.535 1.00 54.25 N ATOM 822 CZ ARG A 53 22.871 18.457 -12.129 1.00 53.43 C ATOM 823 NH1 ARG A 53 23.667 19.519 -12.106 1.00 52.52 N ATOM 824 NH2 ARG A 53 23.340 17.277 -11.738 1.00 40.44 N ATOM 0 H ARG A 53 19.554 20.883 -8.832 1.00 0.12 H new ATOM 0 HA ARG A 53 20.486 21.999 -11.212 1.00 31.34 H new ATOM 0 HB2 ARG A 53 20.042 19.550 -10.614 1.00 43.45 H new ATOM 0 HB3 ARG A 53 18.339 19.863 -10.886 1.00 43.45 H new ATOM 0 HG2 ARG A 53 19.030 18.972 -12.932 1.00 71.50 H new ATOM 0 HG3 ARG A 53 19.062 20.697 -13.239 1.00 71.50 H new ATOM 0 HD2 ARG A 53 21.115 19.864 -14.109 1.00 51.30 H new ATOM 0 HD3 ARG A 53 21.537 20.663 -12.607 1.00 51.30 H new ATOM 0 HE ARG A 53 21.019 17.735 -12.501 1.00 54.25 H new ATOM 0 HH11 ARG A 53 23.312 20.429 -12.400 1.00 52.52 H new ATOM 0 HH12 ARG A 53 24.634 19.425 -11.794 1.00 52.52 H new ATOM 0 HH21 ARG A 53 22.732 16.458 -11.749 1.00 40.44 H new ATOM 0 HH22 ARG A 53 24.308 17.190 -11.427 1.00 40.44 H new ATOM 838 N LEU A 54 17.259 22.451 -10.670 1.00 71.25 N ATOM 839 CA LEU A 54 16.085 23.192 -11.127 1.00 62.34 C ATOM 840 C LEU A 54 16.188 24.670 -10.760 1.00 22.45 C ATOM 841 O LEU A 54 15.579 25.525 -11.407 1.00 5.15 O ATOM 842 CB LEU A 54 14.793 22.591 -10.552 1.00 64.53 C ATOM 843 CG LEU A 54 14.263 21.339 -11.270 1.00 41.12 C ATOM 844 CD1 LEU A 54 14.082 21.610 -12.757 1.00 41.11 C ATOM 845 CD2 LEU A 54 15.178 20.143 -11.052 1.00 13.34 C ATOM 0 H LEU A 54 17.120 21.929 -9.805 1.00 71.25 H new ATOM 0 HA LEU A 54 16.050 23.110 -12.213 1.00 62.34 H new ATOM 0 HB2 LEU A 54 14.965 22.342 -9.505 1.00 64.53 H new ATOM 0 HB3 LEU A 54 14.017 23.356 -10.574 1.00 64.53 H new ATOM 0 HG LEU A 54 13.291 21.097 -10.839 1.00 41.12 H new ATOM 0 HD11 LEU A 54 13.706 20.712 -13.247 1.00 41.11 H new ATOM 0 HD12 LEU A 54 13.370 22.424 -12.895 1.00 41.11 H new ATOM 0 HD13 LEU A 54 15.040 21.889 -13.195 1.00 41.11 H new ATOM 0 HD21 LEU A 54 14.773 19.275 -11.573 1.00 13.34 H new ATOM 0 HD22 LEU A 54 16.171 20.369 -11.440 1.00 13.34 H new ATOM 0 HD23 LEU A 54 15.246 19.926 -9.986 1.00 13.34 H new ATOM 857 N GLY A 55 16.965 24.969 -9.732 1.00 41.21 N ATOM 858 CA GLY A 55 17.162 26.348 -9.335 1.00 63.30 C ATOM 859 C GLY A 55 16.258 26.762 -8.195 1.00 62.12 C ATOM 860 O GLY A 55 15.482 27.710 -8.319 1.00 34.14 O ATOM 0 H GLY A 55 17.463 24.283 -9.165 1.00 41.21 H new ATOM 0 HA2 GLY A 55 18.201 26.492 -9.040 1.00 63.30 H new ATOM 0 HA3 GLY A 55 16.981 26.998 -10.191 1.00 63.30 H new ATOM 864 N ASP A 56 16.344 26.041 -7.090 1.00 0.02 N ATOM 865 CA ASP A 56 15.598 26.384 -5.882 1.00 15.42 C ATOM 866 C ASP A 56 16.545 26.463 -4.696 1.00 64.31 C ATOM 867 O ASP A 56 16.162 26.199 -3.557 1.00 71.51 O ATOM 868 CB ASP A 56 14.502 25.350 -5.605 1.00 73.02 C ATOM 869 CG ASP A 56 13.262 25.562 -6.446 1.00 5.42 C ATOM 870 OD1 ASP A 56 12.408 26.386 -6.050 1.00 72.25 O ATOM 871 OD2 ASP A 56 13.122 24.902 -7.496 1.00 0.31 O ATOM 0 H ASP A 56 16.926 25.208 -7.000 1.00 0.02 H new ATOM 0 HA ASP A 56 15.125 27.354 -6.034 1.00 15.42 H new ATOM 0 HB2 ASP A 56 14.896 24.352 -5.794 1.00 73.02 H new ATOM 0 HB3 ASP A 56 14.230 25.391 -4.550 1.00 73.02 H new ATOM 876 N PHE A 57 17.780 26.856 -4.967 1.00 41.20 N ATOM 877 CA PHE A 57 18.820 26.852 -3.953 1.00 0.01 C ATOM 878 C PHE A 57 19.726 28.068 -4.108 1.00 54.22 C ATOM 879 O PHE A 57 19.703 28.741 -5.139 1.00 53.24 O ATOM 880 CB PHE A 57 19.652 25.575 -4.088 1.00 1.34 C ATOM 881 CG PHE A 57 19.875 24.846 -2.796 1.00 74.43 C ATOM 882 CD1 PHE A 57 20.874 25.240 -1.924 1.00 34.42 C ATOM 883 CD2 PHE A 57 19.084 23.762 -2.458 1.00 53.03 C ATOM 884 CE1 PHE A 57 21.082 24.563 -0.737 1.00 53.11 C ATOM 885 CE2 PHE A 57 19.287 23.082 -1.274 1.00 74.50 C ATOM 886 CZ PHE A 57 20.286 23.483 -0.412 1.00 15.54 C ATOM 0 H PHE A 57 18.086 27.182 -5.884 1.00 41.20 H new ATOM 0 HA PHE A 57 18.352 26.890 -2.969 1.00 0.01 H new ATOM 0 HB2 PHE A 57 19.156 24.904 -4.790 1.00 1.34 H new ATOM 0 HB3 PHE A 57 20.620 25.829 -4.520 1.00 1.34 H new ATOM 0 HD1 PHE A 57 21.498 26.085 -2.173 1.00 34.42 H new ATOM 0 HD2 PHE A 57 18.299 23.444 -3.128 1.00 53.03 H new ATOM 0 HE1 PHE A 57 21.866 24.879 -0.065 1.00 53.11 H new ATOM 0 HE2 PHE A 57 18.664 22.236 -1.023 1.00 74.50 H new ATOM 0 HZ PHE A 57 20.445 22.953 0.516 1.00 15.54 H new ATOM 896 N ASP A 58 20.507 28.351 -3.075 1.00 55.52 N ATOM 897 CA ASP A 58 21.534 29.383 -3.144 1.00 42.31 C ATOM 898 C ASP A 58 22.817 28.747 -3.664 1.00 31.30 C ATOM 899 O ASP A 58 23.014 27.538 -3.507 1.00 23.35 O ATOM 900 CB ASP A 58 21.766 30.001 -1.757 1.00 72.43 C ATOM 901 CG ASP A 58 22.684 31.213 -1.783 1.00 71.31 C ATOM 902 OD1 ASP A 58 23.912 31.039 -1.875 1.00 3.53 O ATOM 903 OD2 ASP A 58 22.179 32.352 -1.700 1.00 11.45 O ATOM 0 H ASP A 58 20.449 27.877 -2.173 1.00 55.52 H new ATOM 0 HA ASP A 58 21.216 30.180 -3.816 1.00 42.31 H new ATOM 0 HB2 ASP A 58 20.805 30.291 -1.331 1.00 72.43 H new ATOM 0 HB3 ASP A 58 22.192 29.245 -1.097 1.00 72.43 H new ATOM 908 N GLN A 59 23.681 29.534 -4.289 1.00 65.13 N ATOM 909 CA GLN A 59 24.923 29.003 -4.835 1.00 61.52 C ATOM 910 C GLN A 59 25.948 28.775 -3.728 1.00 42.02 C ATOM 911 O GLN A 59 26.905 29.534 -3.573 1.00 22.20 O ATOM 912 CB GLN A 59 25.490 29.930 -5.915 1.00 52.04 C ATOM 913 CG GLN A 59 24.571 30.100 -7.115 1.00 33.10 C ATOM 914 CD GLN A 59 24.174 28.776 -7.744 1.00 42.12 C ATOM 915 OE1 GLN A 59 23.171 28.174 -7.370 1.00 43.20 O ATOM 916 NE2 GLN A 59 24.964 28.310 -8.699 1.00 63.24 N ATOM 0 H GLN A 59 23.547 30.535 -4.430 1.00 65.13 H new ATOM 0 HA GLN A 59 24.701 28.042 -5.298 1.00 61.52 H new ATOM 0 HB2 GLN A 59 25.686 30.908 -5.476 1.00 52.04 H new ATOM 0 HB3 GLN A 59 26.448 29.536 -6.254 1.00 52.04 H new ATOM 0 HG2 GLN A 59 23.673 30.634 -6.806 1.00 33.10 H new ATOM 0 HG3 GLN A 59 25.068 30.718 -7.863 1.00 33.10 H new ATOM 0 HE21 GLN A 59 25.789 28.839 -8.982 1.00 63.24 H new ATOM 0 HE22 GLN A 59 24.748 27.422 -9.151 1.00 63.24 H new ATOM 925 N ILE A 60 25.711 27.733 -2.947 1.00 73.33 N ATOM 926 CA ILE A 60 26.603 27.337 -1.866 1.00 52.00 C ATOM 927 C ILE A 60 27.067 25.904 -2.081 1.00 62.32 C ATOM 928 O ILE A 60 26.791 25.314 -3.128 1.00 61.30 O ATOM 929 CB ILE A 60 25.905 27.443 -0.496 1.00 22.03 C ATOM 930 CG1 ILE A 60 24.611 26.621 -0.492 1.00 74.12 C ATOM 931 CG2 ILE A 60 25.621 28.898 -0.163 1.00 12.40 C ATOM 932 CD1 ILE A 60 23.905 26.601 0.845 1.00 34.21 C ATOM 0 H ILE A 60 24.891 27.135 -3.045 1.00 73.33 H new ATOM 0 HA ILE A 60 27.458 28.013 -1.872 1.00 52.00 H new ATOM 0 HB ILE A 60 26.568 27.039 0.269 1.00 22.03 H new ATOM 0 HG12 ILE A 60 23.933 27.024 -1.244 1.00 74.12 H new ATOM 0 HG13 ILE A 60 24.841 25.597 -0.786 1.00 74.12 H new ATOM 0 HG21 ILE A 60 25.128 28.960 0.807 1.00 12.40 H new ATOM 0 HG22 ILE A 60 26.558 29.453 -0.129 1.00 12.40 H new ATOM 0 HG23 ILE A 60 24.973 29.326 -0.927 1.00 12.40 H new ATOM 0 HD11 ILE A 60 22.999 26.000 0.769 1.00 34.21 H new ATOM 0 HD12 ILE A 60 24.564 26.170 1.598 1.00 34.21 H new ATOM 0 HD13 ILE A 60 23.642 27.619 1.133 1.00 34.21 H new ATOM 944 N ASP A 61 27.765 25.339 -1.111 1.00 74.15 N ATOM 945 CA ASP A 61 28.208 23.961 -1.230 1.00 11.11 C ATOM 946 C ASP A 61 27.396 23.063 -0.307 1.00 32.54 C ATOM 947 O ASP A 61 27.206 23.359 0.869 1.00 44.33 O ATOM 948 CB ASP A 61 29.710 23.814 -0.935 1.00 43.43 C ATOM 949 CG ASP A 61 30.025 23.687 0.542 1.00 44.22 C ATOM 950 OD1 ASP A 61 30.203 24.730 1.211 1.00 51.15 O ATOM 951 OD2 ASP A 61 30.105 22.542 1.036 1.00 63.43 O ATOM 0 H ASP A 61 28.034 25.805 -0.244 1.00 74.15 H new ATOM 0 HA ASP A 61 28.046 23.652 -2.263 1.00 11.11 H new ATOM 0 HB2 ASP A 61 30.091 22.936 -1.457 1.00 43.43 H new ATOM 0 HB3 ASP A 61 30.238 24.678 -1.338 1.00 43.43 H new ATOM 956 N ILE A 62 26.848 22.007 -0.877 1.00 1.14 N ATOM 957 CA ILE A 62 26.201 20.966 -0.096 1.00 44.54 C ATOM 958 C ILE A 62 27.162 19.803 0.121 1.00 35.03 C ATOM 959 O ILE A 62 27.240 19.241 1.214 1.00 21.22 O ATOM 960 CB ILE A 62 24.913 20.461 -0.789 1.00 53.15 C ATOM 961 CG1 ILE A 62 23.844 21.558 -0.784 1.00 34.35 C ATOM 962 CG2 ILE A 62 24.386 19.197 -0.121 1.00 21.32 C ATOM 963 CD1 ILE A 62 23.452 22.025 0.602 1.00 32.22 C ATOM 0 H ILE A 62 26.837 21.845 -1.884 1.00 1.14 H new ATOM 0 HA ILE A 62 25.923 21.393 0.868 1.00 44.54 H new ATOM 0 HB ILE A 62 25.158 20.214 -1.822 1.00 53.15 H new ATOM 0 HG12 ILE A 62 24.210 22.412 -1.354 1.00 34.35 H new ATOM 0 HG13 ILE A 62 22.956 21.189 -1.297 1.00 34.35 H new ATOM 0 HG21 ILE A 62 23.481 18.867 -0.630 1.00 21.32 H new ATOM 0 HG22 ILE A 62 25.141 18.413 -0.179 1.00 21.32 H new ATOM 0 HG23 ILE A 62 24.159 19.406 0.924 1.00 21.32 H new ATOM 0 HD11 ILE A 62 22.691 22.802 0.523 1.00 32.22 H new ATOM 0 HD12 ILE A 62 23.054 21.184 1.170 1.00 32.22 H new ATOM 0 HD13 ILE A 62 24.328 22.426 1.112 1.00 32.22 H new ATOM 975 N GLY A 63 27.917 19.483 -0.929 1.00 31.43 N ATOM 976 CA GLY A 63 28.774 18.310 -0.928 1.00 52.11 C ATOM 977 C GLY A 63 29.735 18.258 0.242 1.00 31.22 C ATOM 978 O GLY A 63 29.863 17.221 0.889 1.00 14.54 O ATOM 0 H GLY A 63 27.949 20.026 -1.792 1.00 31.43 H new ATOM 0 HA2 GLY A 63 28.151 17.416 -0.915 1.00 52.11 H new ATOM 0 HA3 GLY A 63 29.345 18.287 -1.856 1.00 52.11 H new ATOM 982 N VAL A 64 30.401 19.370 0.523 1.00 13.42 N ATOM 983 CA VAL A 64 31.385 19.414 1.595 1.00 34.32 C ATOM 984 C VAL A 64 30.699 19.459 2.957 1.00 53.31 C ATOM 985 O VAL A 64 31.077 18.735 3.874 1.00 3.43 O ATOM 986 CB VAL A 64 32.329 20.627 1.449 1.00 54.13 C ATOM 987 CG1 VAL A 64 33.361 20.654 2.569 1.00 30.14 C ATOM 988 CG2 VAL A 64 33.016 20.608 0.092 1.00 21.11 C ATOM 0 H VAL A 64 30.278 20.251 0.025 1.00 13.42 H new ATOM 0 HA VAL A 64 31.981 18.504 1.523 1.00 34.32 H new ATOM 0 HB VAL A 64 31.728 21.533 1.521 1.00 54.13 H new ATOM 0 HG11 VAL A 64 34.013 21.518 2.442 1.00 30.14 H new ATOM 0 HG12 VAL A 64 32.852 20.721 3.531 1.00 30.14 H new ATOM 0 HG13 VAL A 64 33.957 19.742 2.537 1.00 30.14 H new ATOM 0 HG21 VAL A 64 33.677 21.470 0.007 1.00 21.11 H new ATOM 0 HG22 VAL A 64 33.599 19.692 -0.008 1.00 21.11 H new ATOM 0 HG23 VAL A 64 32.265 20.648 -0.697 1.00 21.11 H new ATOM 998 N VAL A 65 29.678 20.299 3.071 1.00 25.53 N ATOM 999 CA VAL A 65 28.952 20.475 4.329 1.00 41.35 C ATOM 1000 C VAL A 65 28.385 19.154 4.862 1.00 15.00 C ATOM 1001 O VAL A 65 28.530 18.843 6.044 1.00 61.02 O ATOM 1002 CB VAL A 65 27.802 21.502 4.167 1.00 41.42 C ATOM 1003 CG1 VAL A 65 26.929 21.559 5.412 1.00 52.00 C ATOM 1004 CG2 VAL A 65 28.357 22.883 3.866 1.00 63.33 C ATOM 0 H VAL A 65 29.330 20.874 2.304 1.00 25.53 H new ATOM 0 HA VAL A 65 29.675 20.850 5.053 1.00 41.35 H new ATOM 0 HB VAL A 65 27.186 21.173 3.330 1.00 41.42 H new ATOM 0 HG11 VAL A 65 26.133 22.289 5.265 1.00 52.00 H new ATOM 0 HG12 VAL A 65 26.492 20.577 5.595 1.00 52.00 H new ATOM 0 HG13 VAL A 65 27.536 21.852 6.269 1.00 52.00 H new ATOM 0 HG21 VAL A 65 27.534 23.590 3.756 1.00 63.33 H new ATOM 0 HG22 VAL A 65 29.002 23.202 4.684 1.00 63.33 H new ATOM 0 HG23 VAL A 65 28.933 22.850 2.941 1.00 63.33 H new ATOM 1014 N ILE A 66 27.767 18.368 3.988 1.00 60.32 N ATOM 1015 CA ILE A 66 27.036 17.180 4.425 1.00 21.23 C ATOM 1016 C ILE A 66 27.947 16.014 4.793 1.00 32.33 C ATOM 1017 O ILE A 66 27.642 15.257 5.716 1.00 44.40 O ATOM 1018 CB ILE A 66 26.024 16.709 3.362 1.00 4.44 C ATOM 1019 CG1 ILE A 66 26.743 16.338 2.061 1.00 1.10 C ATOM 1020 CG2 ILE A 66 24.986 17.791 3.117 1.00 30.33 C ATOM 1021 CD1 ILE A 66 25.822 15.813 0.985 1.00 22.24 C ATOM 0 H ILE A 66 27.756 18.528 2.981 1.00 60.32 H new ATOM 0 HA ILE A 66 26.505 17.490 5.325 1.00 21.23 H new ATOM 0 HB ILE A 66 25.516 15.818 3.731 1.00 4.44 H new ATOM 0 HG12 ILE A 66 27.266 17.216 1.682 1.00 1.10 H new ATOM 0 HG13 ILE A 66 27.501 15.585 2.277 1.00 1.10 H new ATOM 0 HG21 ILE A 66 24.275 17.450 2.365 1.00 30.33 H new ATOM 0 HG22 ILE A 66 24.457 18.005 4.046 1.00 30.33 H new ATOM 0 HG23 ILE A 66 25.480 18.696 2.765 1.00 30.33 H new ATOM 0 HD11 ILE A 66 26.403 15.572 0.095 1.00 22.24 H new ATOM 0 HD12 ILE A 66 25.318 14.915 1.344 1.00 22.24 H new ATOM 0 HD13 ILE A 66 25.080 16.572 0.739 1.00 22.24 H new ATOM 1033 N THR A 67 29.047 15.847 4.078 1.00 14.14 N ATOM 1034 CA THR A 67 29.931 14.724 4.337 1.00 50.13 C ATOM 1035 C THR A 67 31.038 15.120 5.305 1.00 71.42 C ATOM 1036 O THR A 67 31.699 14.267 5.899 1.00 32.31 O ATOM 1037 CB THR A 67 30.534 14.167 3.034 1.00 41.24 C ATOM 1038 OG1 THR A 67 31.210 15.208 2.317 1.00 22.32 O ATOM 1039 CG2 THR A 67 29.445 13.556 2.158 1.00 74.34 C ATOM 0 H THR A 67 29.346 16.465 3.324 1.00 14.14 H new ATOM 0 HA THR A 67 29.332 13.936 4.793 1.00 50.13 H new ATOM 0 HB THR A 67 31.252 13.389 3.293 1.00 41.24 H new ATOM 0 HG1 THR A 67 30.550 15.787 1.881 1.00 22.32 H new ATOM 0 HG21 THR A 67 29.890 13.168 1.242 1.00 74.34 H new ATOM 0 HG22 THR A 67 28.957 12.744 2.697 1.00 74.34 H new ATOM 0 HG23 THR A 67 28.708 14.319 1.908 1.00 74.34 H new ATOM 1047 N HIS A 68 31.224 16.417 5.478 1.00 62.10 N ATOM 1048 CA HIS A 68 32.216 16.921 6.409 1.00 75.44 C ATOM 1049 C HIS A 68 31.545 17.827 7.428 1.00 63.13 C ATOM 1050 O HIS A 68 31.534 19.048 7.276 1.00 34.35 O ATOM 1051 CB HIS A 68 33.335 17.672 5.675 1.00 73.14 C ATOM 1052 CG HIS A 68 34.502 18.037 6.547 1.00 52.01 C ATOM 1053 ND1 HIS A 68 35.623 17.248 6.665 1.00 65.54 N ATOM 1054 CD2 HIS A 68 34.721 19.111 7.344 1.00 52.12 C ATOM 1055 CE1 HIS A 68 36.482 17.820 7.486 1.00 12.54 C ATOM 1056 NE2 HIS A 68 35.959 18.951 7.914 1.00 54.52 N ATOM 0 H HIS A 68 30.700 17.140 4.985 1.00 62.10 H new ATOM 0 HA HIS A 68 32.670 16.075 6.924 1.00 75.44 H new ATOM 0 HB2 HIS A 68 33.691 17.056 4.849 1.00 73.14 H new ATOM 0 HB3 HIS A 68 32.922 18.582 5.239 1.00 73.14 H new ATOM 0 HD2 HIS A 68 34.046 19.939 7.501 1.00 52.12 H new ATOM 0 HE1 HIS A 68 37.450 17.428 7.761 1.00 12.54 H new ATOM 0 HE2 HIS A 68 36.402 19.601 8.563 1.00 54.52 H new ATOM 1065 N PHE A 69 30.944 17.212 8.432 1.00 30.31 N ATOM 1066 CA PHE A 69 30.318 17.944 9.523 1.00 22.22 C ATOM 1067 C PHE A 69 31.325 18.815 10.259 1.00 3.34 C ATOM 1068 O PHE A 69 32.496 18.456 10.396 1.00 14.12 O ATOM 1069 CB PHE A 69 29.678 16.978 10.522 1.00 5.11 C ATOM 1070 CG PHE A 69 28.401 16.351 10.047 1.00 12.44 C ATOM 1071 CD1 PHE A 69 28.418 15.196 9.283 1.00 70.53 C ATOM 1072 CD2 PHE A 69 27.180 16.914 10.378 1.00 75.14 C ATOM 1073 CE1 PHE A 69 27.240 14.614 8.860 1.00 1.20 C ATOM 1074 CE2 PHE A 69 25.999 16.339 9.957 1.00 11.41 C ATOM 1075 CZ PHE A 69 26.029 15.188 9.197 1.00 61.22 C ATOM 0 H PHE A 69 30.875 16.198 8.515 1.00 30.31 H new ATOM 0 HA PHE A 69 29.552 18.583 9.083 1.00 22.22 H new ATOM 0 HB2 PHE A 69 30.392 16.188 10.753 1.00 5.11 H new ATOM 0 HB3 PHE A 69 29.482 17.513 11.451 1.00 5.11 H new ATOM 0 HD1 PHE A 69 29.363 14.746 9.015 1.00 70.53 H new ATOM 0 HD2 PHE A 69 27.152 17.815 10.973 1.00 75.14 H new ATOM 0 HE1 PHE A 69 27.265 13.712 8.267 1.00 1.20 H new ATOM 0 HE2 PHE A 69 25.053 16.789 10.222 1.00 11.41 H new ATOM 0 HZ PHE A 69 25.106 14.736 8.865 1.00 61.22 H new ATOM 1085 N THR A 70 30.862 19.964 10.714 1.00 73.34 N ATOM 1086 CA THR A 70 31.645 20.814 11.588 1.00 1.43 C ATOM 1087 C THR A 70 31.472 20.319 13.028 1.00 12.24 C ATOM 1088 O THR A 70 30.522 19.590 13.318 1.00 70.15 O ATOM 1089 CB THR A 70 31.179 22.282 11.466 1.00 44.13 C ATOM 1090 OG1 THR A 70 31.042 22.630 10.083 1.00 53.25 O ATOM 1091 CG2 THR A 70 32.163 23.240 12.121 1.00 54.12 C ATOM 0 H THR A 70 29.938 20.332 10.489 1.00 73.34 H new ATOM 0 HA THR A 70 32.697 20.769 11.304 1.00 1.43 H new ATOM 0 HB THR A 70 30.221 22.369 11.978 1.00 44.13 H new ATOM 0 HG1 THR A 70 30.143 22.985 9.923 1.00 53.25 H new ATOM 0 HG21 THR A 70 31.801 24.263 12.015 1.00 54.12 H new ATOM 0 HG22 THR A 70 32.258 22.997 13.179 1.00 54.12 H new ATOM 0 HG23 THR A 70 33.136 23.148 11.639 1.00 54.12 H new ATOM 1099 N ASP A 71 32.387 20.674 13.917 1.00 4.40 N ATOM 1100 CA ASP A 71 32.271 20.256 15.310 1.00 51.42 C ATOM 1101 C ASP A 71 31.417 21.248 16.088 1.00 70.43 C ATOM 1102 O ASP A 71 30.564 20.862 16.885 1.00 25.34 O ATOM 1103 CB ASP A 71 33.652 20.123 15.957 1.00 3.12 C ATOM 1104 CG ASP A 71 33.593 19.420 17.298 1.00 32.33 C ATOM 1105 OD1 ASP A 71 33.405 20.099 18.329 1.00 55.22 O ATOM 1106 OD2 ASP A 71 33.724 18.179 17.324 1.00 43.24 O ATOM 0 H ASP A 71 33.207 21.242 13.706 1.00 4.40 H new ATOM 0 HA ASP A 71 31.788 19.279 15.334 1.00 51.42 H new ATOM 0 HB2 ASP A 71 34.312 19.571 15.288 1.00 3.12 H new ATOM 0 HB3 ASP A 71 34.087 21.114 16.088 1.00 3.12 H new ATOM 1111 N GLU A 72 31.649 22.529 15.842 1.00 53.51 N ATOM 1112 CA GLU A 72 30.889 23.594 16.487 1.00 25.43 C ATOM 1113 C GLU A 72 29.488 23.694 15.891 1.00 33.41 C ATOM 1114 O GLU A 72 28.501 23.856 16.610 1.00 73.40 O ATOM 1115 CB GLU A 72 31.611 24.941 16.331 1.00 22.45 C ATOM 1116 CG GLU A 72 32.921 25.058 17.106 1.00 12.13 C ATOM 1117 CD GLU A 72 33.943 24.005 16.726 1.00 21.13 C ATOM 1118 OE1 GLU A 72 34.204 23.821 15.515 1.00 21.12 O ATOM 1119 OE2 GLU A 72 34.485 23.349 17.637 1.00 34.31 O ATOM 0 H GLU A 72 32.364 22.860 15.194 1.00 53.51 H new ATOM 0 HA GLU A 72 30.806 23.353 17.547 1.00 25.43 H new ATOM 0 HB2 GLU A 72 31.815 25.108 15.273 1.00 22.45 H new ATOM 0 HB3 GLU A 72 30.940 25.737 16.656 1.00 22.45 H new ATOM 0 HG2 GLU A 72 33.348 26.046 16.935 1.00 12.13 H new ATOM 0 HG3 GLU A 72 32.711 24.981 18.173 1.00 12.13 H new ATOM 1126 N LEU A 73 29.413 23.597 14.571 1.00 73.25 N ATOM 1127 CA LEU A 73 28.146 23.702 13.860 1.00 13.42 C ATOM 1128 C LEU A 73 27.613 22.310 13.525 1.00 3.21 C ATOM 1129 O LEU A 73 28.361 21.335 13.558 1.00 21.12 O ATOM 1130 CB LEU A 73 28.312 24.526 12.569 1.00 45.25 C ATOM 1131 CG LEU A 73 28.541 26.035 12.748 1.00 34.40 C ATOM 1132 CD1 LEU A 73 27.518 26.628 13.704 1.00 1.43 C ATOM 1133 CD2 LEU A 73 29.957 26.327 13.227 1.00 14.24 C ATOM 0 H LEU A 73 30.221 23.445 13.967 1.00 73.25 H new ATOM 0 HA LEU A 73 27.432 24.211 14.507 1.00 13.42 H new ATOM 0 HB2 LEU A 73 29.152 24.117 12.008 1.00 45.25 H new ATOM 0 HB3 LEU A 73 27.421 24.386 11.957 1.00 45.25 H new ATOM 0 HG LEU A 73 28.414 26.507 11.774 1.00 34.40 H new ATOM 0 HD11 LEU A 73 27.700 27.697 13.815 1.00 1.43 H new ATOM 0 HD12 LEU A 73 26.515 26.470 13.307 1.00 1.43 H new ATOM 0 HD13 LEU A 73 27.604 26.143 14.676 1.00 1.43 H new ATOM 0 HD21 LEU A 73 30.087 27.403 13.344 1.00 14.24 H new ATOM 0 HD22 LEU A 73 30.126 25.835 14.185 1.00 14.24 H new ATOM 0 HD23 LEU A 73 30.673 25.952 12.496 1.00 14.24 H new ATOM 1145 N PRO A 74 26.315 22.187 13.202 1.00 15.30 N ATOM 1146 CA PRO A 74 25.376 23.309 13.189 1.00 74.21 C ATOM 1147 C PRO A 74 24.869 23.666 14.584 1.00 3.21 C ATOM 1148 O PRO A 74 24.804 22.812 15.471 1.00 20.44 O ATOM 1149 CB PRO A 74 24.233 22.791 12.319 1.00 52.45 C ATOM 1150 CG PRO A 74 24.239 21.313 12.522 1.00 33.51 C ATOM 1151 CD PRO A 74 25.666 20.921 12.810 1.00 1.34 C ATOM 0 HA PRO A 74 25.837 24.225 12.818 1.00 74.21 H new ATOM 0 HB2 PRO A 74 23.280 23.227 12.617 1.00 52.45 H new ATOM 0 HB3 PRO A 74 24.387 23.047 11.271 1.00 52.45 H new ATOM 0 HG2 PRO A 74 23.586 21.033 13.349 1.00 33.51 H new ATOM 0 HG3 PRO A 74 23.868 20.799 11.635 1.00 33.51 H new ATOM 0 HD2 PRO A 74 25.723 20.180 13.608 1.00 1.34 H new ATOM 0 HD3 PRO A 74 26.144 20.483 11.934 1.00 1.34 H new ATOM 1159 N SER A 75 24.524 24.930 14.773 1.00 34.34 N ATOM 1160 CA SER A 75 24.000 25.403 16.041 1.00 31.40 C ATOM 1161 C SER A 75 22.586 24.869 16.270 1.00 52.02 C ATOM 1162 O SER A 75 21.704 25.056 15.428 1.00 0.30 O ATOM 1163 CB SER A 75 24.021 26.931 16.048 1.00 31.21 C ATOM 1164 OG SER A 75 23.857 27.434 14.732 1.00 22.13 O ATOM 0 H SER A 75 24.599 25.651 14.056 1.00 34.34 H new ATOM 0 HA SER A 75 24.623 25.035 16.856 1.00 31.40 H new ATOM 0 HB2 SER A 75 23.226 27.309 16.690 1.00 31.21 H new ATOM 0 HB3 SER A 75 24.963 27.286 16.465 1.00 31.21 H new ATOM 0 HG SER A 75 23.221 28.180 14.744 1.00 22.13 H new ATOM 1170 N PRO A 76 22.363 24.183 17.407 1.00 45.34 N ATOM 1171 CA PRO A 76 21.075 23.558 17.738 1.00 5.21 C ATOM 1172 C PRO A 76 19.891 24.508 17.579 1.00 44.52 C ATOM 1173 O PRO A 76 18.838 24.115 17.081 1.00 51.42 O ATOM 1174 CB PRO A 76 21.228 23.131 19.205 1.00 72.21 C ATOM 1175 CG PRO A 76 22.512 23.729 19.678 1.00 41.55 C ATOM 1176 CD PRO A 76 23.357 23.950 18.460 1.00 65.15 C ATOM 0 HA PRO A 76 20.859 22.729 17.064 1.00 5.21 H new ATOM 0 HB2 PRO A 76 20.389 23.486 19.804 1.00 72.21 H new ATOM 0 HB3 PRO A 76 21.247 22.045 19.295 1.00 72.21 H new ATOM 0 HG2 PRO A 76 22.332 24.669 20.200 1.00 41.55 H new ATOM 0 HG3 PRO A 76 23.013 23.064 20.381 1.00 41.55 H new ATOM 0 HD2 PRO A 76 24.024 24.803 18.581 1.00 65.15 H new ATOM 0 HD3 PRO A 76 23.983 23.085 18.240 1.00 65.15 H new ATOM 1184 N GLU A 77 20.073 25.756 17.989 1.00 41.22 N ATOM 1185 CA GLU A 77 19.022 26.765 17.870 1.00 22.44 C ATOM 1186 C GLU A 77 18.624 26.979 16.410 1.00 43.15 C ATOM 1187 O GLU A 77 17.441 27.038 16.091 1.00 12.42 O ATOM 1188 CB GLU A 77 19.482 28.078 18.504 1.00 61.33 C ATOM 1189 CG GLU A 77 20.803 28.568 17.950 1.00 22.41 C ATOM 1190 CD GLU A 77 21.339 29.785 18.678 1.00 43.51 C ATOM 1191 OE1 GLU A 77 22.019 29.610 19.711 1.00 23.01 O ATOM 1192 OE2 GLU A 77 21.092 30.920 18.224 1.00 3.44 O ATOM 0 H GLU A 77 20.938 26.097 18.408 1.00 41.22 H new ATOM 0 HA GLU A 77 18.141 26.407 18.403 1.00 22.44 H new ATOM 0 HB2 GLU A 77 18.720 28.841 18.342 1.00 61.33 H new ATOM 0 HB3 GLU A 77 19.573 27.943 19.582 1.00 61.33 H new ATOM 0 HG2 GLU A 77 21.536 27.764 18.011 1.00 22.41 H new ATOM 0 HG3 GLU A 77 20.680 28.809 16.894 1.00 22.41 H new ATOM 1199 N ASP A 78 19.611 27.058 15.524 1.00 64.10 N ATOM 1200 CA ASP A 78 19.348 27.251 14.099 1.00 20.24 C ATOM 1201 C ASP A 78 18.781 25.980 13.489 1.00 23.41 C ATOM 1202 O ASP A 78 17.952 26.029 12.581 1.00 70.25 O ATOM 1203 CB ASP A 78 20.615 27.686 13.364 1.00 74.32 C ATOM 1204 CG ASP A 78 21.030 29.092 13.735 1.00 33.44 C ATOM 1205 OD1 ASP A 78 20.386 30.053 13.254 1.00 54.10 O ATOM 1206 OD2 ASP A 78 21.978 29.243 14.532 1.00 35.31 O ATOM 0 H ASP A 78 20.600 26.992 15.765 1.00 64.10 H new ATOM 0 HA ASP A 78 18.609 28.045 13.992 1.00 20.24 H new ATOM 0 HB2 ASP A 78 21.425 26.995 13.598 1.00 74.32 H new ATOM 0 HB3 ASP A 78 20.448 27.629 12.288 1.00 74.32 H new ATOM 1211 N VAL A 79 19.230 24.843 14.003 1.00 70.42 N ATOM 1212 CA VAL A 79 18.658 23.553 13.642 1.00 65.40 C ATOM 1213 C VAL A 79 17.164 23.548 13.957 1.00 5.45 C ATOM 1214 O VAL A 79 16.334 23.128 13.148 1.00 24.20 O ATOM 1215 CB VAL A 79 19.362 22.407 14.408 1.00 45.54 C ATOM 1216 CG1 VAL A 79 18.677 21.075 14.159 1.00 25.41 C ATOM 1217 CG2 VAL A 79 20.829 22.331 14.016 1.00 2.33 C ATOM 0 H VAL A 79 19.994 24.788 14.676 1.00 70.42 H new ATOM 0 HA VAL A 79 18.805 23.393 12.574 1.00 65.40 H new ATOM 0 HB VAL A 79 19.293 22.624 15.474 1.00 45.54 H new ATOM 0 HG11 VAL A 79 19.195 20.291 14.711 1.00 25.41 H new ATOM 0 HG12 VAL A 79 17.641 21.130 14.494 1.00 25.41 H new ATOM 0 HG13 VAL A 79 18.702 20.846 13.094 1.00 25.41 H new ATOM 0 HG21 VAL A 79 21.310 21.520 14.563 1.00 2.33 H new ATOM 0 HG22 VAL A 79 20.910 22.144 12.945 1.00 2.33 H new ATOM 0 HG23 VAL A 79 21.320 23.274 14.258 1.00 2.33 H new ATOM 1227 N GLU A 80 16.829 24.049 15.133 1.00 62.32 N ATOM 1228 CA GLU A 80 15.445 24.150 15.560 1.00 15.51 C ATOM 1229 C GLU A 80 14.694 25.210 14.748 1.00 42.51 C ATOM 1230 O GLU A 80 13.494 25.075 14.489 1.00 73.11 O ATOM 1231 CB GLU A 80 15.398 24.443 17.062 1.00 72.14 C ATOM 1232 CG GLU A 80 15.862 23.258 17.898 1.00 41.52 C ATOM 1233 CD GLU A 80 15.652 23.445 19.384 1.00 51.12 C ATOM 1234 OE1 GLU A 80 16.550 23.994 20.056 1.00 11.14 O ATOM 1235 OE2 GLU A 80 14.601 23.007 19.897 1.00 23.22 O ATOM 0 H GLU A 80 17.504 24.395 15.815 1.00 62.32 H new ATOM 0 HA GLU A 80 14.941 23.201 15.377 1.00 15.51 H new ATOM 0 HB2 GLU A 80 16.026 25.307 17.281 1.00 72.14 H new ATOM 0 HB3 GLU A 80 14.380 24.709 17.346 1.00 72.14 H new ATOM 0 HG2 GLU A 80 15.328 22.365 17.574 1.00 41.52 H new ATOM 0 HG3 GLU A 80 16.921 23.083 17.709 1.00 41.52 H new ATOM 1242 N ARG A 81 15.410 26.247 14.325 1.00 50.40 N ATOM 1243 CA ARG A 81 14.827 27.294 13.489 1.00 73.35 C ATOM 1244 C ARG A 81 14.455 26.757 12.109 1.00 24.52 C ATOM 1245 O ARG A 81 13.356 27.015 11.615 1.00 72.03 O ATOM 1246 CB ARG A 81 15.786 28.481 13.360 1.00 51.11 C ATOM 1247 CG ARG A 81 15.954 29.247 14.660 1.00 33.12 C ATOM 1248 CD ARG A 81 17.071 30.273 14.585 1.00 12.04 C ATOM 1249 NE ARG A 81 17.267 30.930 15.875 1.00 54.21 N ATOM 1250 CZ ARG A 81 18.456 31.175 16.423 1.00 1.12 C ATOM 1251 NH1 ARG A 81 19.577 30.937 15.755 1.00 25.34 N ATOM 1252 NH2 ARG A 81 18.525 31.681 17.647 1.00 65.00 N ATOM 0 H ARG A 81 16.396 26.386 14.547 1.00 50.40 H new ATOM 0 HA ARG A 81 13.914 27.637 13.975 1.00 73.35 H new ATOM 0 HB2 ARG A 81 16.760 28.121 13.028 1.00 51.11 H new ATOM 0 HB3 ARG A 81 15.417 29.158 12.590 1.00 51.11 H new ATOM 0 HG2 ARG A 81 15.019 29.749 14.907 1.00 33.12 H new ATOM 0 HG3 ARG A 81 16.162 28.546 15.468 1.00 33.12 H new ATOM 0 HD2 ARG A 81 17.996 29.786 14.277 1.00 12.04 H new ATOM 0 HD3 ARG A 81 16.834 31.018 13.826 1.00 12.04 H new ATOM 0 HE ARG A 81 16.437 31.221 16.391 1.00 54.21 H new ATOM 0 HH11 ARG A 81 19.536 30.561 14.808 1.00 25.34 H new ATOM 0 HH12 ARG A 81 20.480 31.130 16.189 1.00 25.34 H new ATOM 0 HH21 ARG A 81 17.669 31.881 18.165 1.00 65.00 H new ATOM 0 HH22 ARG A 81 19.434 31.870 18.070 1.00 65.00 H new ATOM 1266 N VAL A 82 15.359 25.999 11.489 1.00 32.54 N ATOM 1267 CA VAL A 82 15.066 25.401 10.191 1.00 71.44 C ATOM 1268 C VAL A 82 14.006 24.315 10.343 1.00 64.30 C ATOM 1269 O VAL A 82 13.192 24.102 9.444 1.00 33.50 O ATOM 1270 CB VAL A 82 16.327 24.815 9.505 1.00 10.34 C ATOM 1271 CG1 VAL A 82 16.740 23.490 10.125 1.00 44.34 C ATOM 1272 CG2 VAL A 82 16.101 24.650 8.013 1.00 23.43 C ATOM 0 H VAL A 82 16.286 25.788 11.859 1.00 32.54 H new ATOM 0 HA VAL A 82 14.692 26.199 9.549 1.00 71.44 H new ATOM 0 HB VAL A 82 17.140 25.524 9.661 1.00 10.34 H new ATOM 0 HG11 VAL A 82 17.627 23.111 9.617 1.00 44.34 H new ATOM 0 HG12 VAL A 82 16.962 23.636 11.182 1.00 44.34 H new ATOM 0 HG13 VAL A 82 15.928 22.771 10.021 1.00 44.34 H new ATOM 0 HG21 VAL A 82 16.999 24.238 7.552 1.00 23.43 H new ATOM 0 HG22 VAL A 82 15.263 23.973 7.845 1.00 23.43 H new ATOM 0 HG23 VAL A 82 15.879 25.620 7.569 1.00 23.43 H new ATOM 1282 N ARG A 83 14.012 23.641 11.492 1.00 12.43 N ATOM 1283 CA ARG A 83 12.997 22.647 11.793 1.00 22.25 C ATOM 1284 C ARG A 83 11.621 23.299 11.774 1.00 63.13 C ATOM 1285 O ARG A 83 10.688 22.772 11.178 1.00 31.24 O ATOM 1286 CB ARG A 83 13.258 21.995 13.156 1.00 63.22 C ATOM 1287 CG ARG A 83 12.327 20.832 13.460 1.00 61.31 C ATOM 1288 CD ARG A 83 12.584 20.248 14.841 1.00 74.43 C ATOM 1289 NE ARG A 83 11.759 19.064 15.086 1.00 41.44 N ATOM 1290 CZ ARG A 83 10.951 18.913 16.137 1.00 73.12 C ATOM 1291 NH1 ARG A 83 10.914 19.834 17.094 1.00 20.14 N ATOM 1292 NH2 ARG A 83 10.201 17.824 16.241 1.00 15.30 N ATOM 0 H ARG A 83 14.709 23.769 12.225 1.00 12.43 H new ATOM 0 HA ARG A 83 13.036 21.866 11.033 1.00 22.25 H new ATOM 0 HB2 ARG A 83 14.289 21.643 13.190 1.00 63.22 H new ATOM 0 HB3 ARG A 83 13.152 22.748 13.937 1.00 63.22 H new ATOM 0 HG2 ARG A 83 11.292 21.168 13.394 1.00 61.31 H new ATOM 0 HG3 ARG A 83 12.458 20.055 12.707 1.00 61.31 H new ATOM 0 HD2 ARG A 83 13.637 19.984 14.935 1.00 74.43 H new ATOM 0 HD3 ARG A 83 12.375 21.002 15.600 1.00 74.43 H new ATOM 0 HE ARG A 83 11.805 18.303 14.408 1.00 41.44 H new ATOM 0 HH11 ARG A 83 11.505 20.662 17.028 1.00 20.14 H new ATOM 0 HH12 ARG A 83 10.294 19.713 17.895 1.00 20.14 H new ATOM 0 HH21 ARG A 83 10.243 17.105 15.519 1.00 15.30 H new ATOM 0 HH22 ARG A 83 9.582 17.706 17.043 1.00 15.30 H new ATOM 1306 N ALA A 84 11.512 24.460 12.415 1.00 12.14 N ATOM 1307 CA ALA A 84 10.266 25.219 12.419 1.00 60.24 C ATOM 1308 C ALA A 84 9.897 25.677 11.009 1.00 70.42 C ATOM 1309 O ALA A 84 8.739 25.578 10.598 1.00 23.24 O ATOM 1310 CB ALA A 84 10.382 26.413 13.354 1.00 63.52 C ATOM 0 H ALA A 84 12.272 24.895 12.938 1.00 12.14 H new ATOM 0 HA ALA A 84 9.470 24.567 12.778 1.00 60.24 H new ATOM 0 HB1 ALA A 84 9.446 26.972 13.349 1.00 63.52 H new ATOM 0 HB2 ALA A 84 10.590 26.064 14.365 1.00 63.52 H new ATOM 0 HB3 ALA A 84 11.193 27.060 13.019 1.00 63.52 H new ATOM 1316 N ARG A 85 10.892 26.177 10.278 1.00 4.11 N ATOM 1317 CA ARG A 85 10.710 26.620 8.892 1.00 74.14 C ATOM 1318 C ARG A 85 10.096 25.524 8.026 1.00 31.20 C ATOM 1319 O ARG A 85 9.103 25.742 7.333 1.00 12.24 O ATOM 1320 CB ARG A 85 12.059 27.027 8.290 1.00 14.31 C ATOM 1321 CG ARG A 85 12.400 28.501 8.427 1.00 15.44 C ATOM 1322 CD ARG A 85 11.639 29.346 7.416 1.00 12.24 C ATOM 1323 NE ARG A 85 12.285 30.640 7.188 1.00 30.11 N ATOM 1324 CZ ARG A 85 12.319 31.260 6.007 1.00 74.23 C ATOM 1325 NH1 ARG A 85 11.740 30.716 4.940 1.00 74.02 N ATOM 1326 NH2 ARG A 85 12.953 32.420 5.885 1.00 62.23 N ATOM 0 H ARG A 85 11.844 26.287 10.626 1.00 4.11 H new ATOM 0 HA ARG A 85 10.030 27.472 8.909 1.00 74.14 H new ATOM 0 HB2 ARG A 85 12.845 26.441 8.766 1.00 14.31 H new ATOM 0 HB3 ARG A 85 12.063 26.765 7.232 1.00 14.31 H new ATOM 0 HG2 ARG A 85 12.163 28.838 9.436 1.00 15.44 H new ATOM 0 HG3 ARG A 85 13.472 28.642 8.287 1.00 15.44 H new ATOM 0 HD2 ARG A 85 11.567 28.805 6.472 1.00 12.24 H new ATOM 0 HD3 ARG A 85 10.621 29.506 7.770 1.00 12.24 H new ATOM 0 HE ARG A 85 12.737 31.096 7.981 1.00 30.11 H new ATOM 0 HH11 ARG A 85 11.265 29.817 5.020 1.00 74.02 H new ATOM 0 HH12 ARG A 85 11.771 31.198 4.041 1.00 74.02 H new ATOM 0 HH21 ARG A 85 13.414 32.837 6.694 1.00 62.23 H new ATOM 0 HH22 ARG A 85 12.979 32.894 4.982 1.00 62.23 H new ATOM 1340 N LEU A 86 10.700 24.348 8.072 1.00 63.41 N ATOM 1341 CA LEU A 86 10.303 23.248 7.206 1.00 3.23 C ATOM 1342 C LEU A 86 9.028 22.566 7.698 1.00 51.33 C ATOM 1343 O LEU A 86 8.163 22.223 6.895 1.00 11.12 O ATOM 1344 CB LEU A 86 11.444 22.230 7.080 1.00 64.25 C ATOM 1345 CG LEU A 86 12.494 22.532 5.997 1.00 51.31 C ATOM 1346 CD1 LEU A 86 11.876 22.431 4.614 1.00 63.43 C ATOM 1347 CD2 LEU A 86 13.106 23.907 6.193 1.00 3.31 C ATOM 0 H LEU A 86 11.471 24.129 8.703 1.00 63.41 H new ATOM 0 HA LEU A 86 10.089 23.665 6.222 1.00 3.23 H new ATOM 0 HB2 LEU A 86 11.952 22.161 8.042 1.00 64.25 H new ATOM 0 HB3 LEU A 86 11.011 21.251 6.877 1.00 64.25 H new ATOM 0 HG LEU A 86 13.287 21.789 6.087 1.00 51.31 H new ATOM 0 HD11 LEU A 86 12.633 22.648 3.860 1.00 63.43 H new ATOM 0 HD12 LEU A 86 11.490 21.423 4.461 1.00 63.43 H new ATOM 0 HD13 LEU A 86 11.061 23.149 4.526 1.00 63.43 H new ATOM 0 HD21 LEU A 86 13.844 24.091 5.412 1.00 3.31 H new ATOM 0 HD22 LEU A 86 12.324 24.664 6.139 1.00 3.31 H new ATOM 0 HD23 LEU A 86 13.590 23.954 7.168 1.00 3.31 H new ATOM 1359 N ALA A 87 8.905 22.392 9.014 1.00 64.31 N ATOM 1360 CA ALA A 87 7.760 21.684 9.593 1.00 55.30 C ATOM 1361 C ALA A 87 6.453 22.418 9.329 1.00 40.51 C ATOM 1362 O ALA A 87 5.381 21.808 9.298 1.00 60.31 O ATOM 1363 CB ALA A 87 7.949 21.485 11.089 1.00 2.20 C ATOM 0 H ALA A 87 9.581 22.730 9.699 1.00 64.31 H new ATOM 0 HA ALA A 87 7.705 20.709 9.108 1.00 55.30 H new ATOM 0 HB1 ALA A 87 7.087 20.957 11.498 1.00 2.20 H new ATOM 0 HB2 ALA A 87 8.851 20.899 11.267 1.00 2.20 H new ATOM 0 HB3 ALA A 87 8.045 22.455 11.576 1.00 2.20 H new ATOM 1369 N ALA A 88 6.546 23.727 9.138 1.00 12.20 N ATOM 1370 CA ALA A 88 5.376 24.549 8.871 1.00 35.54 C ATOM 1371 C ALA A 88 4.706 24.143 7.560 1.00 70.35 C ATOM 1372 O ALA A 88 3.485 24.224 7.422 1.00 34.21 O ATOM 1373 CB ALA A 88 5.763 26.020 8.840 1.00 1.20 C ATOM 0 H ALA A 88 7.425 24.244 9.163 1.00 12.20 H new ATOM 0 HA ALA A 88 4.658 24.392 9.676 1.00 35.54 H new ATOM 0 HB1 ALA A 88 4.879 26.625 8.639 1.00 1.20 H new ATOM 0 HB2 ALA A 88 6.187 26.305 9.803 1.00 1.20 H new ATOM 0 HB3 ALA A 88 6.501 26.186 8.055 1.00 1.20 H new ATOM 1379 N GLN A 89 5.506 23.685 6.604 1.00 43.22 N ATOM 1380 CA GLN A 89 4.984 23.273 5.305 1.00 34.15 C ATOM 1381 C GLN A 89 4.870 21.752 5.222 1.00 43.51 C ATOM 1382 O GLN A 89 4.613 21.194 4.152 1.00 25.11 O ATOM 1383 CB GLN A 89 5.869 23.797 4.166 1.00 71.20 C ATOM 1384 CG GLN A 89 5.601 25.248 3.778 1.00 64.44 C ATOM 1385 CD GLN A 89 5.957 26.240 4.869 1.00 71.20 C ATOM 1386 OE1 GLN A 89 5.128 26.583 5.711 1.00 75.44 O ATOM 1387 NE2 GLN A 89 7.189 26.722 4.847 1.00 62.23 N ATOM 0 H GLN A 89 6.517 23.589 6.703 1.00 43.22 H new ATOM 0 HA GLN A 89 3.989 23.704 5.197 1.00 34.15 H new ATOM 0 HB2 GLN A 89 6.914 23.699 4.459 1.00 71.20 H new ATOM 0 HB3 GLN A 89 5.724 23.166 3.289 1.00 71.20 H new ATOM 0 HG2 GLN A 89 6.171 25.487 2.880 1.00 64.44 H new ATOM 0 HG3 GLN A 89 4.547 25.360 3.526 1.00 64.44 H new ATOM 0 HE21 GLN A 89 7.846 26.411 4.131 1.00 62.23 H new ATOM 0 HE22 GLN A 89 7.482 27.405 5.546 1.00 62.23 H new ATOM 1396 N GLY A 90 5.054 21.090 6.355 1.00 41.15 N ATOM 1397 CA GLY A 90 4.952 19.644 6.399 1.00 31.11 C ATOM 1398 C GLY A 90 6.161 19.011 7.055 1.00 31.14 C ATOM 1399 O GLY A 90 7.157 19.682 7.305 1.00 41.14 O ATOM 0 H GLY A 90 5.273 21.530 7.249 1.00 41.15 H new ATOM 0 HA2 GLY A 90 4.053 19.360 6.945 1.00 31.11 H new ATOM 0 HA3 GLY A 90 4.845 19.257 5.386 1.00 31.11 H new ATOM 1403 N TRP A 91 6.080 17.722 7.340 1.00 1.05 N ATOM 1404 CA TRP A 91 7.192 17.019 7.957 1.00 21.13 C ATOM 1405 C TRP A 91 7.179 15.547 7.551 1.00 24.15 C ATOM 1406 O TRP A 91 6.660 14.694 8.271 1.00 54.32 O ATOM 1407 CB TRP A 91 7.134 17.160 9.480 1.00 54.31 C ATOM 1408 CG TRP A 91 8.448 16.911 10.156 1.00 20.42 C ATOM 1409 CD1 TRP A 91 8.780 15.852 10.950 1.00 65.12 C ATOM 1410 CD2 TRP A 91 9.609 17.746 10.094 1.00 12.15 C ATOM 1411 NE1 TRP A 91 10.077 15.984 11.391 1.00 72.51 N ATOM 1412 CE2 TRP A 91 10.606 17.138 10.876 1.00 54.41 C ATOM 1413 CE3 TRP A 91 9.901 18.953 9.451 1.00 43.04 C ATOM 1414 CZ2 TRP A 91 11.872 17.695 11.031 1.00 22.23 C ATOM 1415 CZ3 TRP A 91 11.157 19.505 9.606 1.00 21.42 C ATOM 1416 CH2 TRP A 91 12.129 18.877 10.390 1.00 15.43 C ATOM 0 H TRP A 91 5.260 17.144 7.155 1.00 1.05 H new ATOM 0 HA TRP A 91 8.123 17.464 7.608 1.00 21.13 H new ATOM 0 HB2 TRP A 91 6.790 18.164 9.731 1.00 54.31 H new ATOM 0 HB3 TRP A 91 6.395 16.462 9.873 1.00 54.31 H new ATOM 0 HD1 TRP A 91 8.122 15.032 11.196 1.00 65.12 H new ATOM 0 HE1 TRP A 91 10.565 15.329 12.002 1.00 72.51 H new ATOM 0 HE3 TRP A 91 9.156 19.445 8.843 1.00 43.04 H new ATOM 0 HZ2 TRP A 91 12.625 17.212 11.636 1.00 22.23 H new ATOM 0 HZ3 TRP A 91 11.392 20.437 9.114 1.00 21.42 H new ATOM 0 HH2 TRP A 91 13.102 19.334 10.492 1.00 15.43 H new ATOM 1427 N PRO A 92 7.749 15.237 6.377 1.00 64.14 N ATOM 1428 CA PRO A 92 7.768 13.880 5.826 1.00 60.55 C ATOM 1429 C PRO A 92 8.749 12.977 6.562 1.00 0.42 C ATOM 1430 O PRO A 92 8.803 11.771 6.321 1.00 12.41 O ATOM 1431 CB PRO A 92 8.217 14.072 4.370 1.00 45.11 C ATOM 1432 CG PRO A 92 8.269 15.549 4.140 1.00 23.52 C ATOM 1433 CD PRO A 92 8.416 16.188 5.487 1.00 20.11 C ATOM 0 HA PRO A 92 6.795 13.397 5.919 1.00 60.55 H new ATOM 0 HB2 PRO A 92 9.193 13.617 4.201 1.00 45.11 H new ATOM 0 HB3 PRO A 92 7.519 13.595 3.682 1.00 45.11 H new ATOM 0 HG2 PRO A 92 9.107 15.811 3.494 1.00 23.52 H new ATOM 0 HG3 PRO A 92 7.363 15.896 3.644 1.00 23.52 H new ATOM 0 HD2 PRO A 92 9.463 16.326 5.756 1.00 20.11 H new ATOM 0 HD3 PRO A 92 7.946 17.171 5.521 1.00 20.11 H new ATOM 1441 N LEU A 93 9.533 13.573 7.451 1.00 21.21 N ATOM 1442 CA LEU A 93 10.502 12.827 8.236 1.00 44.02 C ATOM 1443 C LEU A 93 9.807 11.900 9.218 1.00 73.14 C ATOM 1444 O LEU A 93 10.195 10.740 9.342 1.00 62.40 O ATOM 1445 CB LEU A 93 11.443 13.773 8.990 1.00 23.12 C ATOM 1446 CG LEU A 93 12.743 14.122 8.262 1.00 64.11 C ATOM 1447 CD1 LEU A 93 12.462 14.747 6.907 1.00 64.22 C ATOM 1448 CD2 LEU A 93 13.589 15.054 9.114 1.00 63.12 C ATOM 0 H LEU A 93 9.515 14.574 7.645 1.00 21.21 H new ATOM 0 HA LEU A 93 11.092 12.226 7.544 1.00 44.02 H new ATOM 0 HB2 LEU A 93 10.907 14.697 9.204 1.00 23.12 H new ATOM 0 HB3 LEU A 93 11.694 13.320 9.949 1.00 23.12 H new ATOM 0 HG LEU A 93 13.297 13.198 8.095 1.00 64.11 H new ATOM 0 HD11 LEU A 93 13.404 14.984 6.413 1.00 64.22 H new ATOM 0 HD12 LEU A 93 11.897 14.046 6.293 1.00 64.22 H new ATOM 0 HD13 LEU A 93 11.882 15.660 7.041 1.00 64.22 H new ATOM 0 HD21 LEU A 93 14.511 15.294 8.585 1.00 63.12 H new ATOM 0 HD22 LEU A 93 13.034 15.971 9.311 1.00 63.12 H new ATOM 0 HD23 LEU A 93 13.830 14.566 10.058 1.00 63.12 H new