USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 656 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 THR OG1 : rot 179:sc= -0.75 USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 8 SER OG : rot -48:sc= -0.0612 USER MOD Set 2.2: A 14 LYS NZ :NH3+ 152:sc= 0.671 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= -0.281 (180deg=-1.92!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.222 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HE2:sc= 0.491 K(o=0.49,f=-3.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0.287 X(o=0.29,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.17) USER MOD Single : A 64 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.013) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.86! C(o=-1.9!,f=-3.3!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 130:sc= -0.663 USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.2!) USER MOD Single : A 93 THR OG1 : rot 85:sc= 1.04 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 33:sc= 0.0732 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.656 -0.294 -1.376 1.00 60.31 N ATOM 2 CA MET A 1 2.387 -0.203 -2.634 1.00 45.34 C ATOM 3 C MET A 1 1.466 0.235 -3.768 1.00 51.13 C ATOM 4 O MET A 1 1.158 -0.532 -4.681 1.00 12.40 O ATOM 5 CB MET A 1 3.030 -1.549 -2.975 1.00 1.34 C ATOM 6 CG MET A 1 2.057 -2.716 -2.928 1.00 40.42 C ATOM 7 SD MET A 1 2.567 -4.088 -3.981 1.00 4.14 S ATOM 8 CE MET A 1 1.810 -5.469 -3.128 1.00 14.32 C ATOM 0 H1 MET A 1 1.963 -1.141 -0.856 1.00 60.31 H new ATOM 0 H2 MET A 1 1.846 0.552 -0.802 1.00 60.31 H new ATOM 0 H3 MET A 1 0.636 -0.358 -1.571 1.00 60.31 H new ATOM 0 HA MET A 1 3.170 0.546 -2.516 1.00 45.34 H new ATOM 0 HB2 MET A 1 3.468 -1.491 -3.972 1.00 1.34 H new ATOM 0 HB3 MET A 1 3.847 -1.739 -2.279 1.00 1.34 H new ATOM 0 HG2 MET A 1 1.965 -3.067 -1.900 1.00 40.42 H new ATOM 0 HG3 MET A 1 1.069 -2.373 -3.237 1.00 40.42 H new ATOM 0 HE1 MET A 1 2.036 -6.393 -3.660 1.00 14.32 H new ATOM 0 HE2 MET A 1 2.203 -5.529 -2.113 1.00 14.32 H new ATOM 0 HE3 MET A 1 0.730 -5.326 -3.091 1.00 14.32 H new ATOM 18 N PRO A 2 1.014 1.497 -3.711 1.00 62.25 N ATOM 19 CA PRO A 2 0.122 2.064 -4.726 1.00 55.53 C ATOM 20 C PRO A 2 0.823 2.272 -6.064 1.00 73.04 C ATOM 21 O PRO A 2 1.939 1.794 -6.273 1.00 13.11 O ATOM 22 CB PRO A 2 -0.290 3.410 -4.124 1.00 0.11 C ATOM 23 CG PRO A 2 0.823 3.768 -3.200 1.00 34.30 C ATOM 24 CD PRO A 2 1.341 2.467 -2.653 1.00 33.55 C ATOM 0 HA PRO A 2 -0.717 1.404 -4.945 1.00 55.53 H new ATOM 0 HB2 PRO A 2 -0.421 4.166 -4.898 1.00 0.11 H new ATOM 0 HB3 PRO A 2 -1.238 3.332 -3.591 1.00 0.11 H new ATOM 0 HG2 PRO A 2 1.608 4.310 -3.727 1.00 34.30 H new ATOM 0 HG3 PRO A 2 0.471 4.416 -2.398 1.00 34.30 H new ATOM 0 HD2 PRO A 2 2.414 2.509 -2.464 1.00 33.55 H new ATOM 0 HD3 PRO A 2 0.861 2.209 -1.709 1.00 33.55 H new ATOM 32 N LEU A 3 0.162 2.987 -6.968 1.00 43.32 N ATOM 33 CA LEU A 3 0.723 3.259 -8.287 1.00 70.24 C ATOM 34 C LEU A 3 0.773 4.759 -8.560 1.00 35.23 C ATOM 35 O LEU A 3 -0.126 5.502 -8.163 1.00 21.52 O ATOM 36 CB LEU A 3 -0.103 2.560 -9.368 1.00 75.32 C ATOM 37 CG LEU A 3 0.096 3.065 -10.798 1.00 24.34 C ATOM 38 CD1 LEU A 3 1.515 2.786 -11.269 1.00 22.23 C ATOM 39 CD2 LEU A 3 -0.915 2.423 -11.736 1.00 50.12 C ATOM 0 H LEU A 3 -0.763 3.389 -6.812 1.00 43.32 H new ATOM 0 HA LEU A 3 1.741 2.871 -8.308 1.00 70.24 H new ATOM 0 HB2 LEU A 3 0.131 1.496 -9.344 1.00 75.32 H new ATOM 0 HB3 LEU A 3 -1.158 2.660 -9.112 1.00 75.32 H new ATOM 0 HG LEU A 3 -0.063 4.143 -10.808 1.00 24.34 H new ATOM 0 HD11 LEU A 3 1.639 3.152 -12.288 1.00 22.23 H new ATOM 0 HD12 LEU A 3 2.222 3.293 -10.613 1.00 22.23 H new ATOM 0 HD13 LEU A 3 1.702 1.713 -11.244 1.00 22.23 H new ATOM 0 HD21 LEU A 3 -0.758 2.794 -12.749 1.00 50.12 H new ATOM 0 HD22 LEU A 3 -0.788 1.341 -11.722 1.00 50.12 H new ATOM 0 HD23 LEU A 3 -1.924 2.674 -11.410 1.00 50.12 H new ATOM 51 N ILE A 4 1.826 5.197 -9.240 1.00 63.34 N ATOM 52 CA ILE A 4 1.991 6.607 -9.569 1.00 14.44 C ATOM 53 C ILE A 4 2.028 6.820 -11.078 1.00 64.22 C ATOM 54 O ILE A 4 2.748 6.125 -11.797 1.00 2.42 O ATOM 55 CB ILE A 4 3.277 7.184 -8.948 1.00 70.41 C ATOM 56 CG1 ILE A 4 3.353 6.833 -7.461 1.00 10.24 C ATOM 57 CG2 ILE A 4 3.331 8.691 -9.146 1.00 44.11 C ATOM 58 CD1 ILE A 4 2.119 7.231 -6.682 1.00 53.42 C ATOM 0 H ILE A 4 2.579 4.595 -9.574 1.00 63.34 H new ATOM 0 HA ILE A 4 1.130 7.130 -9.152 1.00 14.44 H new ATOM 0 HB ILE A 4 4.136 6.741 -9.451 1.00 70.41 H new ATOM 0 HG12 ILE A 4 3.508 5.759 -7.357 1.00 10.24 H new ATOM 0 HG13 ILE A 4 4.223 7.324 -7.024 1.00 10.24 H new ATOM 0 HG21 ILE A 4 4.246 9.084 -8.702 1.00 44.11 H new ATOM 0 HG22 ILE A 4 3.319 8.919 -10.212 1.00 44.11 H new ATOM 0 HG23 ILE A 4 2.468 9.152 -8.666 1.00 44.11 H new ATOM 0 HD11 ILE A 4 2.243 6.952 -5.636 1.00 53.42 H new ATOM 0 HD12 ILE A 4 1.975 8.309 -6.755 1.00 53.42 H new ATOM 0 HD13 ILE A 4 1.249 6.720 -7.093 1.00 53.42 H new ATOM 70 N THR A 5 1.249 7.786 -11.554 1.00 42.22 N ATOM 71 CA THR A 5 1.194 8.091 -12.978 1.00 54.41 C ATOM 72 C THR A 5 2.202 9.172 -13.349 1.00 5.55 C ATOM 73 O THR A 5 2.020 10.345 -13.021 1.00 14.04 O ATOM 74 CB THR A 5 -0.214 8.553 -13.399 1.00 53.21 C ATOM 75 OG1 THR A 5 -1.173 7.530 -13.108 1.00 41.10 O ATOM 76 CG2 THR A 5 -0.254 8.885 -14.883 1.00 61.12 C ATOM 0 H THR A 5 0.647 8.371 -10.974 1.00 42.22 H new ATOM 0 HA THR A 5 1.441 7.171 -13.508 1.00 54.41 H new ATOM 0 HB THR A 5 -0.460 9.453 -12.835 1.00 53.21 H new ATOM 0 HG1 THR A 5 -2.066 7.832 -13.377 1.00 41.10 H new ATOM 0 HG21 THR A 5 -1.258 9.209 -15.156 1.00 61.12 H new ATOM 0 HG22 THR A 5 0.456 9.684 -15.096 1.00 61.12 H new ATOM 0 HG23 THR A 5 0.012 8.000 -15.461 1.00 61.12 H new ATOM 84 N PHE A 6 3.268 8.771 -14.034 1.00 53.23 N ATOM 85 CA PHE A 6 4.307 9.707 -14.449 1.00 74.44 C ATOM 86 C PHE A 6 4.017 10.259 -15.842 1.00 75.40 C ATOM 87 O PHE A 6 3.783 9.502 -16.785 1.00 23.20 O ATOM 88 CB PHE A 6 5.675 9.022 -14.435 1.00 33.42 C ATOM 89 CG PHE A 6 5.929 8.217 -13.192 1.00 42.41 C ATOM 90 CD1 PHE A 6 5.770 8.786 -11.938 1.00 71.25 C ATOM 91 CD2 PHE A 6 6.327 6.893 -13.277 1.00 62.03 C ATOM 92 CE1 PHE A 6 6.004 8.048 -10.793 1.00 42.15 C ATOM 93 CE2 PHE A 6 6.563 6.150 -12.136 1.00 14.23 C ATOM 94 CZ PHE A 6 6.400 6.728 -10.892 1.00 52.41 C ATOM 0 H PHE A 6 3.435 7.804 -14.313 1.00 53.23 H new ATOM 0 HA PHE A 6 4.316 10.537 -13.743 1.00 74.44 H new ATOM 0 HB2 PHE A 6 5.754 8.369 -15.304 1.00 33.42 H new ATOM 0 HB3 PHE A 6 6.453 9.779 -14.533 1.00 33.42 H new ATOM 0 HD1 PHE A 6 5.460 9.817 -11.855 1.00 71.25 H new ATOM 0 HD2 PHE A 6 6.454 6.436 -14.247 1.00 62.03 H new ATOM 0 HE1 PHE A 6 5.877 8.503 -9.822 1.00 42.15 H new ATOM 0 HE2 PHE A 6 6.874 5.119 -12.217 1.00 14.23 H new ATOM 0 HZ PHE A 6 6.582 6.149 -9.998 1.00 52.41 H new ATOM 104 N ILE A 7 4.032 11.582 -15.962 1.00 63.24 N ATOM 105 CA ILE A 7 3.772 12.235 -17.239 1.00 14.41 C ATOM 106 C ILE A 7 5.066 12.722 -17.882 1.00 11.45 C ATOM 107 O ILE A 7 5.807 13.508 -17.291 1.00 20.12 O ATOM 108 CB ILE A 7 2.812 13.429 -17.075 1.00 3.03 C ATOM 109 CG1 ILE A 7 1.593 13.021 -16.246 1.00 34.20 C ATOM 110 CG2 ILE A 7 2.383 13.954 -18.436 1.00 54.33 C ATOM 111 CD1 ILE A 7 1.773 13.235 -14.760 1.00 11.35 C ATOM 0 H ILE A 7 4.221 12.222 -15.191 1.00 63.24 H new ATOM 0 HA ILE A 7 3.307 11.491 -17.885 1.00 14.41 H new ATOM 0 HB ILE A 7 3.335 14.227 -16.548 1.00 3.03 H new ATOM 0 HG12 ILE A 7 0.727 13.590 -16.584 1.00 34.20 H new ATOM 0 HG13 ILE A 7 1.375 11.969 -16.429 1.00 34.20 H new ATOM 0 HG21 ILE A 7 1.705 14.797 -18.304 1.00 54.33 H new ATOM 0 HG22 ILE A 7 3.261 14.279 -18.994 1.00 54.33 H new ATOM 0 HG23 ILE A 7 1.875 13.163 -18.987 1.00 54.33 H new ATOM 0 HD11 ILE A 7 0.869 12.924 -14.236 1.00 11.35 H new ATOM 0 HD12 ILE A 7 2.619 12.645 -14.407 1.00 11.35 H new ATOM 0 HD13 ILE A 7 1.961 14.291 -14.565 1.00 11.35 H new ATOM 123 N SER A 8 5.331 12.252 -19.096 1.00 53.02 N ATOM 124 CA SER A 8 6.537 12.638 -19.819 1.00 72.02 C ATOM 125 C SER A 8 6.351 13.989 -20.504 1.00 31.40 C ATOM 126 O SER A 8 5.232 14.453 -20.725 1.00 21.40 O ATOM 127 CB SER A 8 6.898 11.573 -20.857 1.00 32.15 C ATOM 128 OG SER A 8 6.230 10.352 -20.587 1.00 45.15 O ATOM 0 H SER A 8 4.727 11.603 -19.600 1.00 53.02 H new ATOM 0 HA SER A 8 7.351 12.724 -19.099 1.00 72.02 H new ATOM 0 HB2 SER A 8 6.630 11.926 -21.853 1.00 32.15 H new ATOM 0 HB3 SER A 8 7.976 11.410 -20.856 1.00 32.15 H new ATOM 0 HG SER A 8 6.336 10.123 -19.640 1.00 45.15 H new ATOM 134 N PRO A 9 7.474 14.636 -20.848 1.00 70.04 N ATOM 135 CA PRO A 9 7.462 15.942 -21.513 1.00 45.34 C ATOM 136 C PRO A 9 6.955 15.858 -22.949 1.00 34.43 C ATOM 137 O PRO A 9 6.638 16.875 -23.566 1.00 65.43 O ATOM 138 CB PRO A 9 8.934 16.365 -21.491 1.00 34.22 C ATOM 139 CG PRO A 9 9.694 15.086 -21.418 1.00 70.33 C ATOM 140 CD PRO A 9 8.842 14.142 -20.616 1.00 14.24 C ATOM 0 HA PRO A 9 6.794 16.645 -21.016 1.00 45.34 H new ATOM 0 HB2 PRO A 9 9.197 16.931 -22.385 1.00 34.22 H new ATOM 0 HB3 PRO A 9 9.150 17.003 -20.634 1.00 34.22 H new ATOM 0 HG2 PRO A 9 9.885 14.688 -22.415 1.00 70.33 H new ATOM 0 HG3 PRO A 9 10.664 15.235 -20.943 1.00 70.33 H new ATOM 0 HD2 PRO A 9 8.959 13.111 -20.951 1.00 14.24 H new ATOM 0 HD3 PRO A 9 9.103 14.165 -19.558 1.00 14.24 H new ATOM 148 N ASP A 10 6.878 14.640 -23.473 1.00 64.44 N ATOM 149 CA ASP A 10 6.407 14.422 -24.836 1.00 41.32 C ATOM 150 C ASP A 10 4.940 14.003 -24.844 1.00 24.25 C ATOM 151 O ASP A 10 4.479 13.338 -25.770 1.00 70.01 O ATOM 152 CB ASP A 10 7.258 13.357 -25.529 1.00 44.43 C ATOM 153 CG ASP A 10 8.615 13.885 -25.951 1.00 44.43 C ATOM 154 OD1 ASP A 10 8.660 14.772 -26.829 1.00 53.31 O ATOM 155 OD2 ASP A 10 9.633 13.411 -25.405 1.00 3.15 O ATOM 0 H ASP A 10 7.136 13.788 -22.975 1.00 64.44 H new ATOM 0 HA ASP A 10 6.501 15.362 -25.381 1.00 41.32 H new ATOM 0 HB2 ASP A 10 7.394 12.510 -24.856 1.00 44.43 H new ATOM 0 HB3 ASP A 10 6.727 12.986 -26.406 1.00 44.43 H new ATOM 160 N GLY A 11 4.212 14.395 -23.802 1.00 44.54 N ATOM 161 CA GLY A 11 2.806 14.050 -23.708 1.00 60.01 C ATOM 162 C GLY A 11 2.588 12.573 -23.445 1.00 42.10 C ATOM 163 O GLY A 11 1.473 12.070 -23.579 1.00 31.30 O ATOM 0 H GLY A 11 4.571 14.945 -23.022 1.00 44.54 H new ATOM 0 HA2 GLY A 11 2.345 14.630 -22.908 1.00 60.01 H new ATOM 0 HA3 GLY A 11 2.304 14.329 -24.634 1.00 60.01 H new ATOM 167 N SER A 12 3.657 11.876 -23.071 1.00 54.31 N ATOM 168 CA SER A 12 3.578 10.447 -22.794 1.00 63.20 C ATOM 169 C SER A 12 3.209 10.196 -21.335 1.00 72.43 C ATOM 170 O SER A 12 3.136 11.126 -20.533 1.00 4.43 O ATOM 171 CB SER A 12 4.911 9.769 -23.118 1.00 41.23 C ATOM 172 OG SER A 12 4.929 9.292 -24.453 1.00 2.05 O ATOM 0 H SER A 12 4.587 12.278 -22.953 1.00 54.31 H new ATOM 0 HA SER A 12 2.799 10.022 -23.426 1.00 63.20 H new ATOM 0 HB2 SER A 12 5.728 10.476 -22.970 1.00 41.23 H new ATOM 0 HB3 SER A 12 5.078 8.940 -22.430 1.00 41.23 H new ATOM 0 HG SER A 12 5.792 8.865 -24.636 1.00 2.05 H new ATOM 178 N ARG A 13 2.976 8.931 -21.000 1.00 32.12 N ATOM 179 CA ARG A 13 2.612 8.556 -19.639 1.00 4.14 C ATOM 180 C ARG A 13 3.092 7.144 -19.317 1.00 62.32 C ATOM 181 O ARG A 13 2.845 6.205 -20.074 1.00 64.24 O ATOM 182 CB ARG A 13 1.097 8.647 -19.449 1.00 61.11 C ATOM 183 CG ARG A 13 0.304 7.960 -20.548 1.00 74.34 C ATOM 184 CD ARG A 13 -1.184 8.252 -20.428 1.00 22.35 C ATOM 185 NE ARG A 13 -1.550 9.506 -21.080 1.00 72.22 N ATOM 186 CZ ARG A 13 -2.805 9.875 -21.311 1.00 72.34 C ATOM 187 NH1 ARG A 13 -3.809 9.090 -20.944 1.00 63.23 N ATOM 188 NH2 ARG A 13 -3.058 11.031 -21.910 1.00 54.34 N ATOM 0 H ARG A 13 3.033 8.149 -21.652 1.00 32.12 H new ATOM 0 HA ARG A 13 3.099 9.252 -18.955 1.00 4.14 H new ATOM 0 HB2 ARG A 13 0.832 8.203 -18.489 1.00 61.11 H new ATOM 0 HB3 ARG A 13 0.807 9.697 -19.405 1.00 61.11 H new ATOM 0 HG2 ARG A 13 0.664 8.294 -21.521 1.00 74.34 H new ATOM 0 HG3 ARG A 13 0.470 6.884 -20.499 1.00 74.34 H new ATOM 0 HD2 ARG A 13 -1.751 7.434 -20.872 1.00 22.35 H new ATOM 0 HD3 ARG A 13 -1.461 8.297 -19.375 1.00 22.35 H new ATOM 0 HE ARG A 13 -0.801 10.133 -21.374 1.00 72.22 H new ATOM 0 HH11 ARG A 13 -3.619 8.200 -20.483 1.00 63.23 H new ATOM 0 HH12 ARG A 13 -4.772 9.376 -21.123 1.00 63.23 H new ATOM 0 HH21 ARG A 13 -2.289 11.638 -22.194 1.00 54.34 H new ATOM 0 HH22 ARG A 13 -4.022 11.313 -22.087 1.00 54.34 H new ATOM 202 N LYS A 14 3.780 7.000 -18.189 1.00 51.43 N ATOM 203 CA LYS A 14 4.294 5.703 -17.766 1.00 4.51 C ATOM 204 C LYS A 14 3.564 5.208 -16.522 1.00 73.00 C ATOM 205 O LYS A 14 3.177 5.998 -15.660 1.00 30.21 O ATOM 206 CB LYS A 14 5.796 5.794 -17.486 1.00 2.32 C ATOM 207 CG LYS A 14 6.655 5.701 -18.735 1.00 53.43 C ATOM 208 CD LYS A 14 7.934 6.509 -18.594 1.00 51.24 C ATOM 209 CE LYS A 14 7.746 7.939 -19.078 1.00 1.25 C ATOM 210 NZ LYS A 14 7.998 8.068 -20.540 1.00 11.25 N ATOM 0 H LYS A 14 3.994 7.767 -17.551 1.00 51.43 H new ATOM 0 HA LYS A 14 4.123 4.991 -18.574 1.00 4.51 H new ATOM 0 HB2 LYS A 14 6.006 6.736 -16.980 1.00 2.32 H new ATOM 0 HB3 LYS A 14 6.078 4.995 -16.801 1.00 2.32 H new ATOM 0 HG2 LYS A 14 6.902 4.658 -18.931 1.00 53.43 H new ATOM 0 HG3 LYS A 14 6.089 6.061 -19.594 1.00 53.43 H new ATOM 0 HD2 LYS A 14 8.248 6.515 -17.550 1.00 51.24 H new ATOM 0 HD3 LYS A 14 8.731 6.033 -19.164 1.00 51.24 H new ATOM 0 HE2 LYS A 14 6.731 8.268 -18.854 1.00 1.25 H new ATOM 0 HE3 LYS A 14 8.422 8.598 -18.534 1.00 1.25 H new ATOM 0 HZ1 LYS A 14 7.439 8.858 -20.920 1.00 11.25 H new ATOM 0 HZ2 LYS A 14 9.009 8.249 -20.703 1.00 11.25 H new ATOM 0 HZ3 LYS A 14 7.723 7.187 -21.019 1.00 11.25 H new ATOM 224 N THR A 15 3.378 3.894 -16.434 1.00 3.42 N ATOM 225 CA THR A 15 2.695 3.294 -15.296 1.00 34.34 C ATOM 226 C THR A 15 3.607 2.321 -14.557 1.00 74.22 C ATOM 227 O THR A 15 3.979 1.276 -15.092 1.00 42.31 O ATOM 228 CB THR A 15 1.419 2.551 -15.735 1.00 34.13 C ATOM 229 OG1 THR A 15 0.612 3.405 -16.554 1.00 63.53 O ATOM 230 CG2 THR A 15 0.616 2.094 -14.526 1.00 73.43 C ATOM 0 H THR A 15 3.691 3.226 -17.138 1.00 3.42 H new ATOM 0 HA THR A 15 2.420 4.109 -14.627 1.00 34.34 H new ATOM 0 HB THR A 15 1.716 1.673 -16.308 1.00 34.13 H new ATOM 0 HG1 THR A 15 -0.196 2.925 -16.830 1.00 63.53 H new ATOM 0 HG21 THR A 15 -0.280 1.572 -14.861 1.00 73.43 H new ATOM 0 HG22 THR A 15 1.223 1.421 -13.919 1.00 73.43 H new ATOM 0 HG23 THR A 15 0.330 2.961 -13.930 1.00 73.43 H new ATOM 238 N TYR A 16 3.962 2.669 -13.326 1.00 4.52 N ATOM 239 CA TYR A 16 4.833 1.827 -12.514 1.00 51.03 C ATOM 240 C TYR A 16 4.489 1.955 -11.033 1.00 51.25 C ATOM 241 O TYR A 16 4.354 3.061 -10.511 1.00 34.35 O ATOM 242 CB TYR A 16 6.298 2.202 -12.743 1.00 61.42 C ATOM 243 CG TYR A 16 6.885 1.608 -14.004 1.00 51.52 C ATOM 244 CD1 TYR A 16 6.709 2.229 -15.235 1.00 32.02 C ATOM 245 CD2 TYR A 16 7.616 0.428 -13.965 1.00 23.33 C ATOM 246 CE1 TYR A 16 7.242 1.690 -16.389 1.00 45.13 C ATOM 247 CE2 TYR A 16 8.155 -0.118 -15.114 1.00 51.31 C ATOM 248 CZ TYR A 16 7.965 0.517 -16.324 1.00 32.11 C ATOM 249 OH TYR A 16 8.499 -0.022 -17.472 1.00 23.44 O ATOM 0 H TYR A 16 3.660 3.529 -12.868 1.00 4.52 H new ATOM 0 HA TYR A 16 4.679 0.791 -12.816 1.00 51.03 H new ATOM 0 HB2 TYR A 16 6.384 3.288 -12.789 1.00 61.42 H new ATOM 0 HB3 TYR A 16 6.887 1.872 -11.887 1.00 61.42 H new ATOM 0 HD1 TYR A 16 6.146 3.149 -15.290 1.00 32.02 H new ATOM 0 HD2 TYR A 16 7.766 -0.072 -13.019 1.00 23.33 H new ATOM 0 HE1 TYR A 16 7.094 2.184 -17.338 1.00 45.13 H new ATOM 0 HE2 TYR A 16 8.722 -1.036 -15.065 1.00 51.31 H new ATOM 0 HH TYR A 16 8.979 -0.848 -17.253 1.00 23.44 H new ATOM 259 N GLU A 17 4.350 0.815 -10.364 1.00 53.11 N ATOM 260 CA GLU A 17 4.021 0.799 -8.943 1.00 45.35 C ATOM 261 C GLU A 17 5.184 1.331 -8.110 1.00 41.35 C ATOM 262 O GLU A 17 6.294 0.803 -8.166 1.00 42.34 O ATOM 263 CB GLU A 17 3.666 -0.620 -8.495 1.00 50.12 C ATOM 264 CG GLU A 17 2.217 -0.996 -8.757 1.00 2.23 C ATOM 265 CD GLU A 17 2.035 -2.481 -9.000 1.00 72.34 C ATOM 266 OE1 GLU A 17 2.630 -3.283 -8.250 1.00 2.53 O ATOM 267 OE2 GLU A 17 1.298 -2.843 -9.941 1.00 53.32 O ATOM 0 H GLU A 17 4.460 -0.109 -10.782 1.00 53.11 H new ATOM 0 HA GLU A 17 3.159 1.447 -8.788 1.00 45.35 H new ATOM 0 HB2 GLU A 17 4.315 -1.328 -9.010 1.00 50.12 H new ATOM 0 HB3 GLU A 17 3.871 -0.717 -7.429 1.00 50.12 H new ATOM 0 HG2 GLU A 17 1.607 -0.694 -7.906 1.00 2.23 H new ATOM 0 HG3 GLU A 17 1.853 -0.443 -9.623 1.00 2.23 H new ATOM 274 N ALA A 18 4.920 2.381 -7.339 1.00 31.31 N ATOM 275 CA ALA A 18 5.943 2.984 -6.493 1.00 74.13 C ATOM 276 C ALA A 18 5.725 2.624 -5.027 1.00 50.45 C ATOM 277 O ALA A 18 4.648 2.169 -4.643 1.00 74.43 O ATOM 278 CB ALA A 18 5.952 4.495 -6.672 1.00 72.25 C ATOM 0 H ALA A 18 4.007 2.832 -7.283 1.00 31.31 H new ATOM 0 HA ALA A 18 6.912 2.587 -6.797 1.00 74.13 H new ATOM 0 HB1 ALA A 18 6.720 4.932 -6.035 1.00 72.25 H new ATOM 0 HB2 ALA A 18 6.164 4.737 -7.714 1.00 72.25 H new ATOM 0 HB3 ALA A 18 4.978 4.900 -6.396 1.00 72.25 H new ATOM 284 N TYR A 19 6.754 2.831 -4.213 1.00 40.45 N ATOM 285 CA TYR A 19 6.676 2.526 -2.790 1.00 20.01 C ATOM 286 C TYR A 19 6.777 3.798 -1.953 1.00 64.25 C ATOM 287 O TYR A 19 6.852 4.903 -2.490 1.00 51.25 O ATOM 288 CB TYR A 19 7.787 1.552 -2.394 1.00 42.12 C ATOM 289 CG TYR A 19 7.287 0.162 -2.070 1.00 2.41 C ATOM 290 CD1 TYR A 19 6.903 -0.712 -3.079 1.00 41.13 C ATOM 291 CD2 TYR A 19 7.198 -0.276 -0.755 1.00 1.04 C ATOM 292 CE1 TYR A 19 6.445 -1.982 -2.788 1.00 20.31 C ATOM 293 CE2 TYR A 19 6.743 -1.545 -0.454 1.00 34.00 C ATOM 294 CZ TYR A 19 6.367 -2.394 -1.474 1.00 21.31 C ATOM 295 OH TYR A 19 5.912 -3.659 -1.178 1.00 54.35 O ATOM 0 H TYR A 19 7.652 3.209 -4.515 1.00 40.45 H new ATOM 0 HA TYR A 19 5.709 2.062 -2.597 1.00 20.01 H new ATOM 0 HB2 TYR A 19 8.510 1.489 -3.207 1.00 42.12 H new ATOM 0 HB3 TYR A 19 8.316 1.950 -1.528 1.00 42.12 H new ATOM 0 HD1 TYR A 19 6.964 -0.393 -4.109 1.00 41.13 H new ATOM 0 HD2 TYR A 19 7.490 0.387 0.046 1.00 1.04 H new ATOM 0 HE1 TYR A 19 6.150 -2.649 -3.585 1.00 20.31 H new ATOM 0 HE2 TYR A 19 6.682 -1.871 0.574 1.00 34.00 H new ATOM 0 HH TYR A 19 5.920 -3.791 -0.207 1.00 54.35 H new ATOM 305 N ASP A 20 6.780 3.632 -0.635 1.00 43.34 N ATOM 306 CA ASP A 20 6.874 4.766 0.277 1.00 24.23 C ATOM 307 C ASP A 20 8.319 5.238 0.410 1.00 11.21 C ATOM 308 O ASP A 20 9.160 4.544 0.980 1.00 13.31 O ATOM 309 CB ASP A 20 6.320 4.389 1.652 1.00 72.52 C ATOM 310 CG ASP A 20 6.058 5.601 2.523 1.00 4.14 C ATOM 311 OD1 ASP A 20 6.239 6.735 2.032 1.00 60.42 O ATOM 312 OD2 ASP A 20 5.674 5.417 3.697 1.00 20.35 O ATOM 0 H ASP A 20 6.718 2.724 -0.175 1.00 43.34 H new ATOM 0 HA ASP A 20 6.280 5.582 -0.135 1.00 24.23 H new ATOM 0 HB2 ASP A 20 5.394 3.829 1.526 1.00 72.52 H new ATOM 0 HB3 ASP A 20 7.026 3.729 2.156 1.00 72.52 H new ATOM 317 N GLY A 21 8.600 6.424 -0.122 1.00 12.02 N ATOM 318 CA GLY A 21 9.943 6.968 -0.053 1.00 44.23 C ATOM 319 C GLY A 21 10.933 6.175 -0.883 1.00 42.12 C ATOM 320 O GLY A 21 12.142 6.379 -0.781 1.00 3.24 O ATOM 0 H GLY A 21 7.921 7.017 -0.599 1.00 12.02 H new ATOM 0 HA2 GLY A 21 9.931 8.002 -0.397 1.00 44.23 H new ATOM 0 HA3 GLY A 21 10.273 6.982 0.986 1.00 44.23 H new ATOM 324 N GLU A 22 10.419 5.267 -1.706 1.00 61.35 N ATOM 325 CA GLU A 22 11.268 4.439 -2.555 1.00 73.51 C ATOM 326 C GLU A 22 11.476 5.091 -3.919 1.00 0.33 C ATOM 327 O GLU A 22 10.523 5.313 -4.666 1.00 51.14 O ATOM 328 CB GLU A 22 10.650 3.050 -2.731 1.00 65.44 C ATOM 329 CG GLU A 22 11.485 2.118 -3.594 1.00 30.42 C ATOM 330 CD GLU A 22 10.818 0.774 -3.814 1.00 64.52 C ATOM 331 OE1 GLU A 22 10.452 0.121 -2.814 1.00 50.34 O ATOM 332 OE2 GLU A 22 10.663 0.374 -4.987 1.00 42.34 O ATOM 0 H GLU A 22 9.420 5.086 -1.803 1.00 61.35 H new ATOM 0 HA GLU A 22 12.238 4.339 -2.068 1.00 73.51 H new ATOM 0 HB2 GLU A 22 10.511 2.596 -1.750 1.00 65.44 H new ATOM 0 HB3 GLU A 22 9.661 3.155 -3.176 1.00 65.44 H new ATOM 0 HG2 GLU A 22 11.670 2.590 -4.559 1.00 30.42 H new ATOM 0 HG3 GLU A 22 12.456 1.965 -3.123 1.00 30.42 H new ATOM 339 N THR A 23 12.730 5.398 -4.236 1.00 61.22 N ATOM 340 CA THR A 23 13.065 6.027 -5.508 1.00 32.53 C ATOM 341 C THR A 23 12.718 5.115 -6.680 1.00 1.43 C ATOM 342 O THR A 23 12.527 3.911 -6.508 1.00 23.34 O ATOM 343 CB THR A 23 14.560 6.389 -5.579 1.00 22.01 C ATOM 344 OG1 THR A 23 14.871 6.936 -6.865 1.00 61.43 O ATOM 345 CG2 THR A 23 15.426 5.166 -5.319 1.00 64.31 C ATOM 0 H THR A 23 13.531 5.221 -3.629 1.00 61.22 H new ATOM 0 HA THR A 23 12.474 6.941 -5.574 1.00 32.53 H new ATOM 0 HB THR A 23 14.768 7.132 -4.809 1.00 22.01 H new ATOM 0 HG1 THR A 23 15.823 7.165 -6.901 1.00 61.43 H new ATOM 0 HG21 THR A 23 16.478 5.447 -5.374 1.00 64.31 H new ATOM 0 HG22 THR A 23 15.208 4.770 -4.327 1.00 64.31 H new ATOM 0 HG23 THR A 23 15.214 4.404 -6.069 1.00 64.31 H new ATOM 353 N LEU A 24 12.638 5.697 -7.871 1.00 64.24 N ATOM 354 CA LEU A 24 12.315 4.936 -9.074 1.00 2.43 C ATOM 355 C LEU A 24 13.507 4.097 -9.524 1.00 13.21 C ATOM 356 O LEU A 24 13.344 3.083 -10.204 1.00 40.21 O ATOM 357 CB LEU A 24 11.888 5.881 -10.199 1.00 33.44 C ATOM 358 CG LEU A 24 10.755 5.384 -11.098 1.00 22.31 C ATOM 359 CD1 LEU A 24 9.680 6.450 -11.241 1.00 44.12 C ATOM 360 CD2 LEU A 24 11.295 4.982 -12.463 1.00 22.54 C ATOM 0 H LEU A 24 12.792 6.693 -8.030 1.00 64.24 H new ATOM 0 HA LEU A 24 11.490 4.264 -8.839 1.00 2.43 H new ATOM 0 HB2 LEU A 24 11.584 6.829 -9.755 1.00 33.44 H new ATOM 0 HB3 LEU A 24 12.757 6.086 -10.824 1.00 33.44 H new ATOM 0 HG LEU A 24 10.307 4.506 -10.633 1.00 22.31 H new ATOM 0 HD11 LEU A 24 8.882 6.078 -11.884 1.00 44.12 H new ATOM 0 HD12 LEU A 24 9.272 6.690 -10.259 1.00 44.12 H new ATOM 0 HD13 LEU A 24 10.114 7.347 -11.683 1.00 44.12 H new ATOM 0 HD21 LEU A 24 10.475 4.631 -13.090 1.00 22.54 H new ATOM 0 HD22 LEU A 24 11.769 5.843 -12.935 1.00 22.54 H new ATOM 0 HD23 LEU A 24 12.028 4.184 -12.344 1.00 22.54 H new ATOM 372 N LEU A 25 14.704 4.525 -9.139 1.00 30.22 N ATOM 373 CA LEU A 25 15.924 3.812 -9.501 1.00 20.53 C ATOM 374 C LEU A 25 15.892 2.378 -8.979 1.00 51.45 C ATOM 375 O LEU A 25 16.158 1.432 -9.720 1.00 62.20 O ATOM 376 CB LEU A 25 17.149 4.541 -8.945 1.00 55.04 C ATOM 377 CG LEU A 25 18.508 3.946 -9.312 1.00 62.55 C ATOM 378 CD1 LEU A 25 18.690 3.920 -10.822 1.00 51.41 C ATOM 379 CD2 LEU A 25 19.631 4.732 -8.651 1.00 72.13 C ATOM 0 H LEU A 25 14.856 5.362 -8.576 1.00 30.22 H new ATOM 0 HA LEU A 25 15.989 3.783 -10.589 1.00 20.53 H new ATOM 0 HB2 LEU A 25 17.121 5.574 -9.293 1.00 55.04 H new ATOM 0 HB3 LEU A 25 17.068 4.568 -7.858 1.00 55.04 H new ATOM 0 HG LEU A 25 18.545 2.920 -8.945 1.00 62.55 H new ATOM 0 HD11 LEU A 25 19.663 3.493 -11.064 1.00 51.41 H new ATOM 0 HD12 LEU A 25 17.905 3.312 -11.273 1.00 51.41 H new ATOM 0 HD13 LEU A 25 18.632 4.936 -11.213 1.00 51.41 H new ATOM 0 HD21 LEU A 25 20.591 4.294 -8.924 1.00 72.13 H new ATOM 0 HD22 LEU A 25 19.596 5.768 -8.987 1.00 72.13 H new ATOM 0 HD23 LEU A 25 19.511 4.698 -7.568 1.00 72.13 H new ATOM 391 N SER A 26 15.562 2.226 -7.701 1.00 2.42 N ATOM 392 CA SER A 26 15.497 0.909 -7.080 1.00 34.32 C ATOM 393 C SER A 26 14.403 0.060 -7.721 1.00 63.33 C ATOM 394 O SER A 26 14.467 -1.170 -7.706 1.00 34.43 O ATOM 395 CB SER A 26 15.239 1.042 -5.578 1.00 22.14 C ATOM 396 OG SER A 26 16.368 1.582 -4.913 1.00 22.55 O ATOM 0 H SER A 26 15.335 2.999 -7.075 1.00 2.42 H new ATOM 0 HA SER A 26 16.456 0.414 -7.235 1.00 34.32 H new ATOM 0 HB2 SER A 26 14.373 1.682 -5.410 1.00 22.14 H new ATOM 0 HB3 SER A 26 14.999 0.065 -5.159 1.00 22.14 H new ATOM 0 HG SER A 26 16.178 1.659 -3.955 1.00 22.55 H new ATOM 402 N LEU A 27 13.401 0.725 -8.285 1.00 30.31 N ATOM 403 CA LEU A 27 12.292 0.033 -8.933 1.00 21.32 C ATOM 404 C LEU A 27 12.804 -0.987 -9.946 1.00 14.44 C ATOM 405 O LEU A 27 12.191 -2.034 -10.151 1.00 13.22 O ATOM 406 CB LEU A 27 11.372 1.039 -9.625 1.00 52.34 C ATOM 407 CG LEU A 27 9.906 0.626 -9.760 1.00 13.42 C ATOM 408 CD1 LEU A 27 9.175 0.816 -8.440 1.00 33.53 C ATOM 409 CD2 LEU A 27 9.227 1.421 -10.866 1.00 0.21 C ATOM 0 H LEU A 27 13.333 1.743 -8.307 1.00 30.31 H new ATOM 0 HA LEU A 27 11.728 -0.497 -8.165 1.00 21.32 H new ATOM 0 HB2 LEU A 27 11.415 1.979 -9.074 1.00 52.34 H new ATOM 0 HB3 LEU A 27 11.766 1.236 -10.622 1.00 52.34 H new ATOM 0 HG LEU A 27 9.869 -0.431 -10.024 1.00 13.42 H new ATOM 0 HD11 LEU A 27 8.133 0.517 -8.555 1.00 33.53 H new ATOM 0 HD12 LEU A 27 9.646 0.203 -7.672 1.00 33.53 H new ATOM 0 HD13 LEU A 27 9.221 1.865 -8.146 1.00 33.53 H new ATOM 0 HD21 LEU A 27 8.184 1.114 -10.948 1.00 0.21 H new ATOM 0 HD22 LEU A 27 9.275 2.484 -10.631 1.00 0.21 H new ATOM 0 HD23 LEU A 27 9.735 1.235 -11.812 1.00 0.21 H new ATOM 421 N ALA A 28 13.932 -0.673 -10.575 1.00 33.34 N ATOM 422 CA ALA A 28 14.528 -1.564 -11.563 1.00 0.43 C ATOM 423 C ALA A 28 14.818 -2.935 -10.962 1.00 3.22 C ATOM 424 O ALA A 28 14.462 -3.964 -11.537 1.00 14.24 O ATOM 425 CB ALA A 28 15.802 -0.951 -12.124 1.00 44.23 C ATOM 0 H ALA A 28 14.451 0.191 -10.418 1.00 33.34 H new ATOM 0 HA ALA A 28 13.813 -1.697 -12.375 1.00 0.43 H new ATOM 0 HB1 ALA A 28 16.237 -1.626 -12.861 1.00 44.23 H new ATOM 0 HB2 ALA A 28 15.569 0.002 -12.599 1.00 44.23 H new ATOM 0 HB3 ALA A 28 16.514 -0.789 -11.315 1.00 44.23 H new ATOM 431 N HIS A 29 15.468 -2.942 -9.802 1.00 64.13 N ATOM 432 CA HIS A 29 15.807 -4.188 -9.124 1.00 32.05 C ATOM 433 C HIS A 29 14.570 -5.065 -8.949 1.00 5.21 C ATOM 434 O HIS A 29 14.644 -6.288 -9.062 1.00 64.43 O ATOM 435 CB HIS A 29 16.436 -3.896 -7.761 1.00 21.41 C ATOM 436 CG HIS A 29 17.240 -5.037 -7.216 1.00 11.40 C ATOM 437 ND1 HIS A 29 16.975 -6.356 -7.517 1.00 12.11 N ATOM 438 CD2 HIS A 29 18.309 -5.049 -6.386 1.00 21.00 C ATOM 439 CE1 HIS A 29 17.845 -7.131 -6.894 1.00 50.42 C ATOM 440 NE2 HIS A 29 18.666 -6.362 -6.201 1.00 60.14 N ATOM 0 H HIS A 29 15.770 -2.100 -9.313 1.00 64.13 H new ATOM 0 HA HIS A 29 16.527 -4.725 -9.741 1.00 32.05 H new ATOM 0 HB2 HIS A 29 17.077 -3.019 -7.846 1.00 21.41 H new ATOM 0 HB3 HIS A 29 15.647 -3.647 -7.052 1.00 21.41 H new ATOM 0 HD1 HIS A 29 16.224 -6.683 -8.126 1.00 12.11 H new ATOM 0 HD2 HIS A 29 18.791 -4.187 -5.950 1.00 21.00 H new ATOM 0 HE1 HIS A 29 17.879 -8.209 -6.943 1.00 50.42 H new ATOM 716 N VAL A 50 5.140 16.635 0.637 1.00 24.11 N ATOM 717 CA VAL A 50 5.956 15.574 0.058 1.00 3.21 C ATOM 718 C VAL A 50 6.308 15.881 -1.393 1.00 54.33 C ATOM 719 O VAL A 50 6.027 16.971 -1.893 1.00 2.20 O ATOM 720 CB VAL A 50 5.237 14.214 0.124 1.00 23.30 C ATOM 721 CG1 VAL A 50 4.836 13.891 1.555 1.00 35.41 C ATOM 722 CG2 VAL A 50 4.024 14.208 -0.793 1.00 71.34 C ATOM 0 HA VAL A 50 6.872 15.521 0.647 1.00 3.21 H new ATOM 0 HB VAL A 50 5.926 13.441 -0.218 1.00 23.30 H new ATOM 0 HG11 VAL A 50 4.329 12.926 1.582 1.00 35.41 H new ATOM 0 HG12 VAL A 50 5.727 13.851 2.182 1.00 35.41 H new ATOM 0 HG13 VAL A 50 4.164 14.664 1.928 1.00 35.41 H new ATOM 0 HG21 VAL A 50 3.528 13.239 -0.734 1.00 71.34 H new ATOM 0 HG22 VAL A 50 3.331 14.990 -0.484 1.00 71.34 H new ATOM 0 HG23 VAL A 50 4.343 14.390 -1.819 1.00 71.34 H new ATOM 732 N ILE A 51 6.922 14.913 -2.065 1.00 1.41 N ATOM 733 CA ILE A 51 7.310 15.080 -3.460 1.00 22.10 C ATOM 734 C ILE A 51 6.089 15.083 -4.374 1.00 24.23 C ATOM 735 O ILE A 51 5.436 14.055 -4.556 1.00 53.30 O ATOM 736 CB ILE A 51 8.274 13.967 -3.913 1.00 12.11 C ATOM 737 CG1 ILE A 51 8.383 13.947 -5.439 1.00 31.21 C ATOM 738 CG2 ILE A 51 7.806 12.617 -3.392 1.00 35.41 C ATOM 739 CD1 ILE A 51 9.419 12.975 -5.958 1.00 24.13 C ATOM 0 H ILE A 51 7.161 14.005 -1.666 1.00 1.41 H new ATOM 0 HA ILE A 51 7.818 16.042 -3.533 1.00 22.10 H new ATOM 0 HB ILE A 51 9.262 14.171 -3.500 1.00 12.11 H new ATOM 0 HG12 ILE A 51 7.412 13.690 -5.861 1.00 31.21 H new ATOM 0 HG13 ILE A 51 8.628 14.949 -5.791 1.00 31.21 H new ATOM 0 HG21 ILE A 51 8.497 11.841 -3.720 1.00 35.41 H new ATOM 0 HG22 ILE A 51 7.775 12.638 -2.303 1.00 35.41 H new ATOM 0 HG23 ILE A 51 6.810 12.403 -3.779 1.00 35.41 H new ATOM 0 HD11 ILE A 51 9.441 13.014 -7.047 1.00 24.13 H new ATOM 0 HD12 ILE A 51 10.399 13.244 -5.565 1.00 24.13 H new ATOM 0 HD13 ILE A 51 9.164 11.965 -5.637 1.00 24.13 H new ATOM 751 N ILE A 52 5.789 16.243 -4.947 1.00 12.44 N ATOM 752 CA ILE A 52 4.648 16.379 -5.844 1.00 22.00 C ATOM 753 C ILE A 52 5.048 17.076 -7.140 1.00 2.22 C ATOM 754 O ILE A 52 6.086 17.736 -7.207 1.00 75.13 O ATOM 755 CB ILE A 52 3.502 17.167 -5.183 1.00 2.13 C ATOM 756 CG1 ILE A 52 4.065 18.265 -4.278 1.00 11.21 C ATOM 757 CG2 ILE A 52 2.603 16.230 -4.391 1.00 32.23 C ATOM 758 CD1 ILE A 52 4.922 19.272 -5.012 1.00 3.43 C ATOM 0 H ILE A 52 6.320 17.102 -4.806 1.00 12.44 H new ATOM 0 HA ILE A 52 4.301 15.370 -6.068 1.00 22.00 H new ATOM 0 HB ILE A 52 2.905 17.637 -5.965 1.00 2.13 H new ATOM 0 HG12 ILE A 52 3.238 18.787 -3.796 1.00 11.21 H new ATOM 0 HG13 ILE A 52 4.657 17.805 -3.487 1.00 11.21 H new ATOM 0 HG21 ILE A 52 1.798 16.802 -3.930 1.00 32.23 H new ATOM 0 HG22 ILE A 52 2.179 15.481 -5.060 1.00 32.23 H new ATOM 0 HG23 ILE A 52 3.187 15.735 -3.615 1.00 32.23 H new ATOM 0 HD11 ILE A 52 5.287 20.021 -4.309 1.00 3.43 H new ATOM 0 HD12 ILE A 52 5.769 18.763 -5.472 1.00 3.43 H new ATOM 0 HD13 ILE A 52 4.329 19.760 -5.785 1.00 3.43 H new ATOM 770 N ASP A 53 4.218 16.927 -8.166 1.00 12.11 N ATOM 771 CA ASP A 53 4.483 17.545 -9.460 1.00 72.00 C ATOM 772 C ASP A 53 4.821 19.024 -9.297 1.00 74.32 C ATOM 773 O ASP A 53 4.498 19.652 -8.289 1.00 14.01 O ATOM 774 CB ASP A 53 3.274 17.384 -10.383 1.00 70.21 C ATOM 775 CG ASP A 53 1.958 17.516 -9.642 1.00 50.32 C ATOM 776 OD1 ASP A 53 1.595 16.577 -8.903 1.00 65.33 O ATOM 777 OD2 ASP A 53 1.291 18.560 -9.801 1.00 31.24 O ATOM 0 H ASP A 53 3.356 16.384 -8.127 1.00 12.11 H new ATOM 0 HA ASP A 53 5.341 17.042 -9.906 1.00 72.00 H new ATOM 0 HB2 ASP A 53 3.320 18.135 -11.172 1.00 70.21 H new ATOM 0 HB3 ASP A 53 3.318 16.409 -10.868 1.00 70.21 H new ATOM 782 N PRO A 54 5.487 19.594 -10.312 1.00 23.12 N ATOM 783 CA PRO A 54 5.884 21.005 -10.305 1.00 0.05 C ATOM 784 C PRO A 54 4.689 21.944 -10.433 1.00 63.20 C ATOM 785 O PRO A 54 4.809 23.150 -10.218 1.00 24.22 O ATOM 786 CB PRO A 54 6.792 21.125 -11.531 1.00 23.51 C ATOM 787 CG PRO A 54 6.349 20.029 -12.439 1.00 2.45 C ATOM 788 CD PRO A 54 5.905 18.905 -11.545 1.00 33.04 C ATOM 0 HA PRO A 54 6.368 21.287 -9.370 1.00 0.05 H new ATOM 0 HB2 PRO A 54 6.688 22.100 -12.007 1.00 23.51 H new ATOM 0 HB3 PRO A 54 7.842 21.014 -11.259 1.00 23.51 H new ATOM 0 HG2 PRO A 54 5.534 20.361 -13.083 1.00 2.45 H new ATOM 0 HG3 PRO A 54 7.162 19.711 -13.092 1.00 2.45 H new ATOM 0 HD2 PRO A 54 5.085 18.340 -11.987 1.00 33.04 H new ATOM 0 HD3 PRO A 54 6.713 18.199 -11.356 1.00 33.04 H new ATOM 796 N SER A 55 3.537 21.383 -10.785 1.00 32.33 N ATOM 797 CA SER A 55 2.320 22.171 -10.945 1.00 24.20 C ATOM 798 C SER A 55 1.610 22.352 -9.607 1.00 3.32 C ATOM 799 O SER A 55 0.898 23.334 -9.398 1.00 51.21 O ATOM 800 CB SER A 55 1.380 21.498 -11.947 1.00 41.41 C ATOM 801 OG SER A 55 1.914 21.547 -13.259 1.00 54.20 O ATOM 0 H SER A 55 3.420 20.386 -10.965 1.00 32.33 H new ATOM 0 HA SER A 55 2.600 23.154 -11.324 1.00 24.20 H new ATOM 0 HB2 SER A 55 1.216 20.460 -11.656 1.00 41.41 H new ATOM 0 HB3 SER A 55 0.409 21.992 -11.928 1.00 41.41 H new ATOM 0 HG SER A 55 1.296 21.109 -13.880 1.00 54.20 H new ATOM 807 N TRP A 56 1.810 21.399 -8.705 1.00 22.45 N ATOM 808 CA TRP A 56 1.189 21.452 -7.386 1.00 4.22 C ATOM 809 C TRP A 56 2.097 22.159 -6.385 1.00 52.42 C ATOM 810 O TRP A 56 1.637 22.646 -5.352 1.00 52.42 O ATOM 811 CB TRP A 56 0.868 20.040 -6.893 1.00 5.22 C ATOM 812 CG TRP A 56 -0.487 19.558 -7.314 1.00 24.32 C ATOM 813 CD1 TRP A 56 -1.181 19.934 -8.428 1.00 61.01 C ATOM 814 CD2 TRP A 56 -1.311 18.611 -6.625 1.00 53.33 C ATOM 815 NE1 TRP A 56 -2.388 19.278 -8.474 1.00 4.43 N ATOM 816 CE2 TRP A 56 -2.491 18.461 -7.380 1.00 33.42 C ATOM 817 CE3 TRP A 56 -1.167 17.875 -5.446 1.00 51.14 C ATOM 818 CZ2 TRP A 56 -3.519 17.605 -6.991 1.00 42.11 C ATOM 819 CZ3 TRP A 56 -2.188 17.027 -5.062 1.00 21.31 C ATOM 820 CH2 TRP A 56 -3.351 16.897 -5.832 1.00 60.44 C ATOM 0 H TRP A 56 2.397 20.580 -8.862 1.00 22.45 H new ATOM 0 HA TRP A 56 0.262 22.019 -7.471 1.00 4.22 H new ATOM 0 HB2 TRP A 56 1.624 19.351 -7.269 1.00 5.22 H new ATOM 0 HB3 TRP A 56 0.931 20.020 -5.805 1.00 5.22 H new ATOM 0 HD1 TRP A 56 -0.833 20.643 -9.165 1.00 61.01 H new ATOM 0 HE1 TRP A 56 -3.092 19.383 -9.204 1.00 4.43 H new ATOM 0 HE3 TRP A 56 -0.274 17.967 -4.846 1.00 51.14 H new ATOM 0 HZ2 TRP A 56 -4.417 17.504 -7.583 1.00 42.11 H new ATOM 0 HZ3 TRP A 56 -2.088 16.454 -4.152 1.00 21.31 H new ATOM 0 HH2 TRP A 56 -4.130 16.225 -5.505 1.00 60.44 H new ATOM 831 N TYR A 57 3.387 22.212 -6.698 1.00 13.52 N ATOM 832 CA TYR A 57 4.359 22.859 -5.824 1.00 72.31 C ATOM 833 C TYR A 57 3.910 24.271 -5.461 1.00 24.14 C ATOM 834 O TYR A 57 3.952 24.667 -4.296 1.00 33.14 O ATOM 835 CB TYR A 57 5.731 22.905 -6.499 1.00 13.11 C ATOM 836 CG TYR A 57 6.761 23.693 -5.722 1.00 42.34 C ATOM 837 CD1 TYR A 57 6.913 23.517 -4.353 1.00 34.53 C ATOM 838 CD2 TYR A 57 7.584 24.614 -6.359 1.00 2.31 C ATOM 839 CE1 TYR A 57 7.852 24.235 -3.639 1.00 42.13 C ATOM 840 CE2 TYR A 57 8.528 25.336 -5.654 1.00 14.32 C ATOM 841 CZ TYR A 57 8.657 25.144 -4.294 1.00 65.52 C ATOM 842 OH TYR A 57 9.596 25.860 -3.587 1.00 53.34 O ATOM 0 H TYR A 57 3.784 21.815 -7.550 1.00 13.52 H new ATOM 0 HA TYR A 57 4.432 22.274 -4.907 1.00 72.31 H new ATOM 0 HB2 TYR A 57 6.093 21.886 -6.637 1.00 13.11 H new ATOM 0 HB3 TYR A 57 5.624 23.342 -7.492 1.00 13.11 H new ATOM 0 HD1 TYR A 57 6.285 22.805 -3.837 1.00 34.53 H new ATOM 0 HD2 TYR A 57 7.484 24.768 -7.423 1.00 2.31 H new ATOM 0 HE1 TYR A 57 7.956 24.086 -2.574 1.00 42.13 H new ATOM 0 HE2 TYR A 57 9.161 26.046 -6.165 1.00 14.32 H new ATOM 0 HH TYR A 57 10.080 26.456 -4.196 1.00 53.34 H new ATOM 852 N ASP A 58 3.482 25.026 -6.466 1.00 74.53 N ATOM 853 CA ASP A 58 3.023 26.394 -6.254 1.00 62.43 C ATOM 854 C ASP A 58 1.803 26.422 -5.340 1.00 14.12 C ATOM 855 O ASP A 58 1.557 27.410 -4.647 1.00 40.10 O ATOM 856 CB ASP A 58 2.689 27.055 -7.592 1.00 42.22 C ATOM 857 CG ASP A 58 1.864 28.316 -7.425 1.00 33.34 C ATOM 858 OD1 ASP A 58 2.250 29.173 -6.603 1.00 64.21 O ATOM 859 OD2 ASP A 58 0.830 28.445 -8.114 1.00 63.33 O ATOM 0 H ASP A 58 3.443 24.714 -7.436 1.00 74.53 H new ATOM 0 HA ASP A 58 3.827 26.951 -5.773 1.00 62.43 H new ATOM 0 HB2 ASP A 58 3.614 27.296 -8.116 1.00 42.22 H new ATOM 0 HB3 ASP A 58 2.144 26.348 -8.217 1.00 42.22 H new ATOM 864 N ILE A 59 1.041 25.333 -5.344 1.00 0.31 N ATOM 865 CA ILE A 59 -0.154 25.234 -4.515 1.00 3.22 C ATOM 866 C ILE A 59 0.203 24.871 -3.077 1.00 43.15 C ATOM 867 O ILE A 59 -0.230 25.532 -2.133 1.00 24.50 O ATOM 868 CB ILE A 59 -1.137 24.186 -5.068 1.00 15.30 C ATOM 869 CG1 ILE A 59 -1.573 24.562 -6.486 1.00 24.20 C ATOM 870 CG2 ILE A 59 -2.346 24.060 -4.153 1.00 74.11 C ATOM 871 CD1 ILE A 59 -2.126 23.397 -7.277 1.00 11.14 C ATOM 0 H ILE A 59 1.230 24.507 -5.912 1.00 0.31 H new ATOM 0 HA ILE A 59 -0.632 26.213 -4.532 1.00 3.22 H new ATOM 0 HB ILE A 59 -0.632 23.221 -5.107 1.00 15.30 H new ATOM 0 HG12 ILE A 59 -2.330 25.344 -6.429 1.00 24.20 H new ATOM 0 HG13 ILE A 59 -0.721 24.982 -7.020 1.00 24.20 H new ATOM 0 HG21 ILE A 59 -3.032 23.315 -4.557 1.00 74.11 H new ATOM 0 HG22 ILE A 59 -2.020 23.752 -3.160 1.00 74.11 H new ATOM 0 HG23 ILE A 59 -2.853 25.022 -4.086 1.00 74.11 H new ATOM 0 HD11 ILE A 59 -2.415 23.737 -8.272 1.00 11.14 H new ATOM 0 HD12 ILE A 59 -1.364 22.623 -7.365 1.00 11.14 H new ATOM 0 HD13 ILE A 59 -2.998 22.991 -6.765 1.00 11.14 H new ATOM 883 N VAL A 60 0.998 23.817 -2.919 1.00 14.01 N ATOM 884 CA VAL A 60 1.416 23.367 -1.597 1.00 0.13 C ATOM 885 C VAL A 60 2.343 24.383 -0.938 1.00 70.24 C ATOM 886 O VAL A 60 2.458 24.430 0.286 1.00 64.33 O ATOM 887 CB VAL A 60 2.132 22.005 -1.668 1.00 3.41 C ATOM 888 CG1 VAL A 60 1.182 20.927 -2.165 1.00 54.22 C ATOM 889 CG2 VAL A 60 3.362 22.096 -2.559 1.00 54.42 C ATOM 0 H VAL A 60 1.365 23.259 -3.690 1.00 14.01 H new ATOM 0 HA VAL A 60 0.512 23.263 -0.998 1.00 0.13 H new ATOM 0 HB VAL A 60 2.458 21.733 -0.664 1.00 3.41 H new ATOM 0 HG11 VAL A 60 1.706 19.972 -2.208 1.00 54.22 H new ATOM 0 HG12 VAL A 60 0.335 20.846 -1.483 1.00 54.22 H new ATOM 0 HG13 VAL A 60 0.823 21.189 -3.160 1.00 54.22 H new ATOM 0 HG21 VAL A 60 3.856 21.125 -2.598 1.00 54.42 H new ATOM 0 HG22 VAL A 60 3.062 22.391 -3.564 1.00 54.42 H new ATOM 0 HG23 VAL A 60 4.051 22.837 -2.154 1.00 54.42 H new ATOM 899 N GLU A 61 3.001 25.195 -1.760 1.00 23.40 N ATOM 900 CA GLU A 61 3.919 26.210 -1.256 1.00 72.15 C ATOM 901 C GLU A 61 3.156 27.436 -0.763 1.00 40.14 C ATOM 902 O GLU A 61 3.593 28.120 0.161 1.00 1.44 O ATOM 903 CB GLU A 61 4.912 26.618 -2.347 1.00 74.20 C ATOM 904 CG GLU A 61 5.759 27.824 -1.978 1.00 62.24 C ATOM 905 CD GLU A 61 5.111 29.136 -2.375 1.00 71.25 C ATOM 906 OE1 GLU A 61 4.526 29.198 -3.477 1.00 53.11 O ATOM 907 OE2 GLU A 61 5.189 30.100 -1.586 1.00 33.34 O ATOM 0 H GLU A 61 2.916 25.170 -2.776 1.00 23.40 H new ATOM 0 HA GLU A 61 4.468 25.783 -0.417 1.00 72.15 H new ATOM 0 HB2 GLU A 61 5.569 25.775 -2.562 1.00 74.20 H new ATOM 0 HB3 GLU A 61 4.363 26.836 -3.263 1.00 74.20 H new ATOM 0 HG2 GLU A 61 5.938 27.822 -0.903 1.00 62.24 H new ATOM 0 HG3 GLU A 61 6.732 27.742 -2.463 1.00 62.24 H new ATOM 914 N GLN A 62 2.015 27.706 -1.388 1.00 54.54 N ATOM 915 CA GLN A 62 1.192 28.851 -1.014 1.00 72.41 C ATOM 916 C GLN A 62 0.183 28.466 0.063 1.00 12.30 C ATOM 917 O GLN A 62 -0.268 29.312 0.836 1.00 3.24 O ATOM 918 CB GLN A 62 0.462 29.403 -2.240 1.00 11.25 C ATOM 919 CG GLN A 62 -0.634 28.487 -2.760 1.00 22.24 C ATOM 920 CD GLN A 62 -1.462 29.130 -3.854 1.00 50.13 C ATOM 921 OE1 GLN A 62 -2.491 29.752 -3.586 1.00 65.05 O ATOM 922 NE2 GLN A 62 -1.017 28.984 -5.097 1.00 11.01 N ATOM 0 H GLN A 62 1.639 27.148 -2.155 1.00 54.54 H new ATOM 0 HA GLN A 62 1.848 29.623 -0.613 1.00 72.41 H new ATOM 0 HB2 GLN A 62 0.027 30.370 -1.988 1.00 11.25 H new ATOM 0 HB3 GLN A 62 1.186 29.577 -3.036 1.00 11.25 H new ATOM 0 HG2 GLN A 62 -0.185 27.570 -3.141 1.00 22.24 H new ATOM 0 HG3 GLN A 62 -1.287 28.203 -1.935 1.00 22.24 H new ATOM 0 HE21 GLN A 62 -0.160 28.461 -5.274 1.00 11.01 H new ATOM 0 HE22 GLN A 62 -1.533 29.395 -5.875 1.00 11.01 H new ATOM 931 N HIS A 63 -0.169 27.185 0.108 1.00 43.12 N ATOM 932 CA HIS A 63 -1.125 26.689 1.091 1.00 60.41 C ATOM 933 C HIS A 63 -0.406 26.150 2.324 1.00 71.51 C ATOM 934 O HIS A 63 -1.023 25.540 3.196 1.00 23.15 O ATOM 935 CB HIS A 63 -1.999 25.595 0.476 1.00 25.54 C ATOM 936 CG HIS A 63 -3.226 25.287 1.278 1.00 41.31 C ATOM 937 ND1 HIS A 63 -3.593 24.006 1.631 1.00 23.05 N ATOM 938 CD2 HIS A 63 -4.172 26.105 1.797 1.00 60.42 C ATOM 939 CE1 HIS A 63 -4.712 24.048 2.332 1.00 52.24 C ATOM 940 NE2 HIS A 63 -5.084 25.310 2.447 1.00 54.34 N ATOM 0 H HIS A 63 0.194 26.472 -0.525 1.00 43.12 H new ATOM 0 HA HIS A 63 -1.759 27.521 1.397 1.00 60.41 H new ATOM 0 HB2 HIS A 63 -2.298 25.901 -0.527 1.00 25.54 H new ATOM 0 HB3 HIS A 63 -1.407 24.686 0.369 1.00 25.54 H new ATOM 0 HD2 HIS A 63 -4.203 27.181 1.715 1.00 60.42 H new ATOM 0 HE1 HIS A 63 -5.234 23.196 2.741 1.00 52.24 H new ATOM 0 HE2 HIS A 63 -5.914 25.641 2.939 1.00 54.34 H new ATOM 948 N ASN A 64 0.902 26.378 2.388 1.00 54.22 N ATOM 949 CA ASN A 64 1.705 25.914 3.513 1.00 14.23 C ATOM 950 C ASN A 64 2.772 26.941 3.880 1.00 33.02 C ATOM 951 O ASN A 64 3.276 27.661 3.019 1.00 71.21 O ATOM 952 CB ASN A 64 2.364 24.575 3.179 1.00 74.55 C ATOM 953 CG ASN A 64 2.510 23.682 4.396 1.00 72.02 C ATOM 954 OD1 ASN A 64 3.616 23.279 4.754 1.00 24.23 O ATOM 955 ND2 ASN A 64 1.390 23.369 5.038 1.00 62.25 N ATOM 0 H ASN A 64 1.428 26.881 1.674 1.00 54.22 H new ATOM 0 HA ASN A 64 1.043 25.782 4.369 1.00 14.23 H new ATOM 0 HB2 ASN A 64 1.771 24.060 2.423 1.00 74.55 H new ATOM 0 HB3 ASN A 64 3.347 24.756 2.744 1.00 74.55 H new ATOM 0 HD21 ASN A 64 1.426 22.771 5.864 1.00 62.25 H new ATOM 0 HD22 ASN A 64 0.494 23.726 4.705 1.00 62.25 H new ATOM 962 N GLU A 65 3.111 27.001 5.164 1.00 14.33 N ATOM 963 CA GLU A 65 4.118 27.940 5.645 1.00 53.15 C ATOM 964 C GLU A 65 5.345 27.200 6.170 1.00 15.32 C ATOM 965 O GLU A 65 5.233 26.104 6.720 1.00 12.32 O ATOM 966 CB GLU A 65 3.535 28.829 6.745 1.00 54.43 C ATOM 967 CG GLU A 65 3.227 28.083 8.032 1.00 72.43 C ATOM 968 CD GLU A 65 2.612 28.976 9.092 1.00 72.34 C ATOM 969 OE1 GLU A 65 3.232 30.005 9.432 1.00 20.11 O ATOM 970 OE2 GLU A 65 1.511 28.646 9.581 1.00 62.24 O ATOM 0 H GLU A 65 2.703 26.411 5.889 1.00 14.33 H new ATOM 0 HA GLU A 65 4.424 28.566 4.807 1.00 53.15 H new ATOM 0 HB2 GLU A 65 4.238 29.634 6.961 1.00 54.43 H new ATOM 0 HB3 GLU A 65 2.621 29.295 6.377 1.00 54.43 H new ATOM 0 HG2 GLU A 65 2.546 27.260 7.816 1.00 72.43 H new ATOM 0 HG3 GLU A 65 4.145 27.643 8.421 1.00 72.43 H new ATOM 977 N ILE A 66 6.514 27.807 5.996 1.00 14.21 N ATOM 978 CA ILE A 66 7.761 27.207 6.453 1.00 72.10 C ATOM 979 C ILE A 66 8.369 28.008 7.599 1.00 31.02 C ATOM 980 O ILE A 66 8.460 29.234 7.534 1.00 60.23 O ATOM 981 CB ILE A 66 8.789 27.106 5.310 1.00 34.24 C ATOM 982 CG1 ILE A 66 8.886 28.437 4.563 1.00 11.53 C ATOM 983 CG2 ILE A 66 8.411 25.983 4.356 1.00 54.11 C ATOM 984 CD1 ILE A 66 10.101 28.541 3.668 1.00 31.23 C ATOM 0 H ILE A 66 6.624 28.714 5.542 1.00 14.21 H new ATOM 0 HA ILE A 66 7.519 26.204 6.803 1.00 72.10 H new ATOM 0 HB ILE A 66 9.766 26.880 5.738 1.00 34.24 H new ATOM 0 HG12 ILE A 66 7.988 28.572 3.960 1.00 11.53 H new ATOM 0 HG13 ILE A 66 8.908 29.250 5.288 1.00 11.53 H new ATOM 0 HG21 ILE A 66 9.147 25.924 3.554 1.00 54.11 H new ATOM 0 HG22 ILE A 66 8.388 25.037 4.898 1.00 54.11 H new ATOM 0 HG23 ILE A 66 7.427 26.182 3.932 1.00 54.11 H new ATOM 0 HD11 ILE A 66 10.104 29.511 3.170 1.00 31.23 H new ATOM 0 HD12 ILE A 66 11.005 28.438 4.268 1.00 31.23 H new ATOM 0 HD13 ILE A 66 10.070 27.749 2.920 1.00 31.23 H new ATOM 996 N SER A 67 8.786 27.306 8.649 1.00 55.45 N ATOM 997 CA SER A 67 9.384 27.952 9.811 1.00 12.11 C ATOM 998 C SER A 67 10.902 28.014 9.677 1.00 63.04 C ATOM 999 O SER A 67 11.457 27.690 8.626 1.00 2.43 O ATOM 1000 CB SER A 67 9.004 27.202 11.089 1.00 12.23 C ATOM 1001 OG SER A 67 8.618 28.103 12.113 1.00 32.42 O ATOM 0 H SER A 67 8.720 26.290 8.718 1.00 55.45 H new ATOM 0 HA SER A 67 9.000 28.971 9.868 1.00 12.11 H new ATOM 0 HB2 SER A 67 8.186 26.512 10.880 1.00 12.23 H new ATOM 0 HB3 SER A 67 9.849 26.602 11.427 1.00 12.23 H new ATOM 0 HG SER A 67 8.378 27.599 12.919 1.00 32.42 H new ATOM 1007 N ASP A 68 11.568 28.432 10.747 1.00 10.05 N ATOM 1008 CA ASP A 68 13.023 28.536 10.751 1.00 14.01 C ATOM 1009 C ASP A 68 13.665 27.181 10.470 1.00 50.33 C ATOM 1010 O ASP A 68 14.731 27.104 9.860 1.00 53.55 O ATOM 1011 CB ASP A 68 13.513 29.078 12.095 1.00 61.23 C ATOM 1012 CG ASP A 68 13.314 30.575 12.223 1.00 52.22 C ATOM 1013 OD1 ASP A 68 12.200 30.995 12.600 1.00 71.12 O ATOM 1014 OD2 ASP A 68 14.271 31.327 11.945 1.00 4.51 O ATOM 0 H ASP A 68 11.124 28.705 11.624 1.00 10.05 H new ATOM 0 HA ASP A 68 13.316 29.227 9.961 1.00 14.01 H new ATOM 0 HB2 ASP A 68 12.982 28.574 12.902 1.00 61.23 H new ATOM 0 HB3 ASP A 68 14.571 28.844 12.214 1.00 61.23 H new ATOM 1019 N GLU A 69 13.009 26.116 10.920 1.00 43.11 N ATOM 1020 CA GLU A 69 13.518 24.765 10.718 1.00 64.33 C ATOM 1021 C GLU A 69 13.164 24.252 9.325 1.00 54.43 C ATOM 1022 O GLU A 69 13.973 23.598 8.668 1.00 3.45 O ATOM 1023 CB GLU A 69 12.954 23.819 11.780 1.00 61.01 C ATOM 1024 CG GLU A 69 11.437 23.731 11.773 1.00 42.14 C ATOM 1025 CD GLU A 69 10.897 22.870 12.898 1.00 64.22 C ATOM 1026 OE1 GLU A 69 11.471 21.788 13.144 1.00 42.04 O ATOM 1027 OE2 GLU A 69 9.902 23.277 13.532 1.00 73.30 O ATOM 0 H GLU A 69 12.125 26.163 11.426 1.00 43.11 H new ATOM 0 HA GLU A 69 14.604 24.797 10.810 1.00 64.33 H new ATOM 0 HB2 GLU A 69 13.368 22.823 11.624 1.00 61.01 H new ATOM 0 HB3 GLU A 69 13.286 24.151 12.764 1.00 61.01 H new ATOM 0 HG2 GLU A 69 11.018 24.734 11.855 1.00 42.14 H new ATOM 0 HG3 GLU A 69 11.105 23.324 10.818 1.00 42.14 H new ATOM 1034 N GLU A 70 11.947 24.555 8.881 1.00 23.24 N ATOM 1035 CA GLU A 70 11.485 24.124 7.567 1.00 31.34 C ATOM 1036 C GLU A 70 12.253 24.837 6.459 1.00 45.41 C ATOM 1037 O GLU A 70 12.899 24.201 5.628 1.00 71.44 O ATOM 1038 CB GLU A 70 9.986 24.390 7.417 1.00 52.41 C ATOM 1039 CG GLU A 70 9.306 23.487 6.402 1.00 52.12 C ATOM 1040 CD GLU A 70 9.339 22.026 6.806 1.00 0.13 C ATOM 1041 OE1 GLU A 70 8.475 21.612 7.607 1.00 72.45 O ATOM 1042 OE2 GLU A 70 10.230 21.297 6.322 1.00 50.22 O ATOM 0 H GLU A 70 11.265 25.097 9.412 1.00 23.24 H new ATOM 0 HA GLU A 70 11.667 23.053 7.479 1.00 31.34 H new ATOM 0 HB2 GLU A 70 9.504 24.261 8.386 1.00 52.41 H new ATOM 0 HB3 GLU A 70 9.838 25.429 7.123 1.00 52.41 H new ATOM 0 HG2 GLU A 70 8.270 23.802 6.277 1.00 52.12 H new ATOM 0 HG3 GLU A 70 9.793 23.603 5.434 1.00 52.12 H new ATOM 1049 N ASN A 71 12.178 26.164 6.454 1.00 11.45 N ATOM 1050 CA ASN A 71 12.865 26.966 5.448 1.00 30.31 C ATOM 1051 C ASN A 71 14.365 26.685 5.460 1.00 75.31 C ATOM 1052 O ASN A 71 15.051 26.881 4.457 1.00 22.11 O ATOM 1053 CB ASN A 71 12.612 28.455 5.692 1.00 71.22 C ATOM 1054 CG ASN A 71 13.075 29.317 4.533 1.00 13.14 C ATOM 1055 OD1 ASN A 71 13.228 28.837 3.410 1.00 1.02 O ATOM 1056 ND2 ASN A 71 13.300 30.598 4.802 1.00 30.15 N ATOM 0 H ASN A 71 11.648 26.707 7.136 1.00 11.45 H new ATOM 0 HA ASN A 71 12.470 26.693 4.470 1.00 30.31 H new ATOM 0 HB2 ASN A 71 11.547 28.617 5.859 1.00 71.22 H new ATOM 0 HB3 ASN A 71 13.128 28.765 6.601 1.00 71.22 H new ATOM 0 HD21 ASN A 71 13.613 31.227 4.063 1.00 30.15 H new ATOM 0 HD22 ASN A 71 13.160 30.953 5.748 1.00 30.15 H new ATOM 1063 N ASP A 72 14.865 26.224 6.601 1.00 64.12 N ATOM 1064 CA ASP A 72 16.283 25.914 6.743 1.00 22.14 C ATOM 1065 C ASP A 72 16.678 24.749 5.841 1.00 43.22 C ATOM 1066 O ASP A 72 17.585 24.869 5.018 1.00 40.35 O ATOM 1067 CB ASP A 72 16.610 25.580 8.200 1.00 42.52 C ATOM 1068 CG ASP A 72 17.928 24.845 8.343 1.00 1.05 C ATOM 1069 OD1 ASP A 72 18.985 25.509 8.311 1.00 44.35 O ATOM 1070 OD2 ASP A 72 17.902 23.605 8.490 1.00 43.32 O ATOM 0 H ASP A 72 14.310 26.057 7.440 1.00 64.12 H new ATOM 0 HA ASP A 72 16.854 26.793 6.442 1.00 22.14 H new ATOM 0 HB2 ASP A 72 16.646 26.501 8.782 1.00 42.52 H new ATOM 0 HB3 ASP A 72 15.810 24.970 8.618 1.00 42.52 H new ATOM 1075 N MET A 73 15.992 23.623 6.003 1.00 61.33 N ATOM 1076 CA MET A 73 16.272 22.436 5.202 1.00 12.31 C ATOM 1077 C MET A 73 16.268 22.771 3.714 1.00 52.30 C ATOM 1078 O MET A 73 17.043 22.210 2.939 1.00 45.21 O ATOM 1079 CB MET A 73 15.241 21.344 5.494 1.00 63.44 C ATOM 1080 CG MET A 73 15.683 20.363 6.568 1.00 72.24 C ATOM 1081 SD MET A 73 15.791 21.122 8.199 1.00 3.24 S ATOM 1082 CE MET A 73 15.996 19.674 9.234 1.00 51.23 C ATOM 0 H MET A 73 15.239 23.507 6.681 1.00 61.33 H new ATOM 0 HA MET A 73 17.263 22.071 5.471 1.00 12.31 H new ATOM 0 HB2 MET A 73 14.306 21.812 5.803 1.00 63.44 H new ATOM 0 HB3 MET A 73 15.035 20.795 4.575 1.00 63.44 H new ATOM 0 HG2 MET A 73 14.981 19.530 6.605 1.00 72.24 H new ATOM 0 HG3 MET A 73 16.655 19.949 6.299 1.00 72.24 H new ATOM 0 HE1 MET A 73 16.078 19.981 10.277 1.00 51.23 H new ATOM 0 HE2 MET A 73 15.134 19.017 9.115 1.00 51.23 H new ATOM 0 HE3 MET A 73 16.901 19.142 8.940 1.00 51.23 H new ATOM 1092 N LEU A 74 15.391 23.688 3.321 1.00 55.10 N ATOM 1093 CA LEU A 74 15.286 24.098 1.925 1.00 74.22 C ATOM 1094 C LEU A 74 16.588 24.728 1.443 1.00 43.21 C ATOM 1095 O LEU A 74 16.990 24.545 0.294 1.00 44.02 O ATOM 1096 CB LEU A 74 14.132 25.086 1.748 1.00 15.11 C ATOM 1097 CG LEU A 74 13.958 25.672 0.346 1.00 22.04 C ATOM 1098 CD1 LEU A 74 13.019 24.808 -0.481 1.00 11.12 C ATOM 1099 CD2 LEU A 74 13.441 27.101 0.426 1.00 74.22 C ATOM 0 H LEU A 74 14.742 24.162 3.949 1.00 55.10 H new ATOM 0 HA LEU A 74 15.090 23.209 1.325 1.00 74.22 H new ATOM 0 HB2 LEU A 74 13.205 24.585 2.028 1.00 15.11 H new ATOM 0 HB3 LEU A 74 14.274 25.909 2.449 1.00 15.11 H new ATOM 0 HG LEU A 74 14.931 25.686 -0.145 1.00 22.04 H new ATOM 0 HD11 LEU A 74 12.907 25.241 -1.475 1.00 11.12 H new ATOM 0 HD12 LEU A 74 13.431 23.802 -0.567 1.00 11.12 H new ATOM 0 HD13 LEU A 74 12.045 24.761 0.006 1.00 11.12 H new ATOM 0 HD21 LEU A 74 13.323 27.502 -0.581 1.00 74.22 H new ATOM 0 HD22 LEU A 74 12.478 27.111 0.936 1.00 74.22 H new ATOM 0 HD23 LEU A 74 14.151 27.714 0.980 1.00 74.22 H new ATOM 1111 N ASP A 75 17.244 25.469 2.329 1.00 0.32 N ATOM 1112 CA ASP A 75 18.504 26.124 1.996 1.00 54.33 C ATOM 1113 C ASP A 75 19.637 25.108 1.903 1.00 21.54 C ATOM 1114 O ASP A 75 20.619 25.319 1.190 1.00 55.03 O ATOM 1115 CB ASP A 75 18.841 27.190 3.040 1.00 62.40 C ATOM 1116 CG ASP A 75 18.813 28.592 2.466 1.00 53.50 C ATOM 1117 OD1 ASP A 75 19.202 28.761 1.291 1.00 3.43 O ATOM 1118 OD2 ASP A 75 18.400 29.521 3.191 1.00 11.41 O ATOM 0 H ASP A 75 16.924 25.631 3.284 1.00 0.32 H new ATOM 0 HA ASP A 75 18.390 26.603 1.024 1.00 54.33 H new ATOM 0 HB2 ASP A 75 18.131 27.124 3.865 1.00 62.40 H new ATOM 0 HB3 ASP A 75 19.829 26.990 3.454 1.00 62.40 H new ATOM 1123 N LEU A 76 19.496 24.004 2.630 1.00 51.41 N ATOM 1124 CA LEU A 76 20.509 22.954 2.631 1.00 14.32 C ATOM 1125 C LEU A 76 20.204 21.903 1.569 1.00 44.25 C ATOM 1126 O LEU A 76 20.823 20.840 1.539 1.00 75.44 O ATOM 1127 CB LEU A 76 20.586 22.295 4.009 1.00 3.23 C ATOM 1128 CG LEU A 76 21.416 23.033 5.060 1.00 2.15 C ATOM 1129 CD1 LEU A 76 22.858 23.175 4.599 1.00 41.53 C ATOM 1130 CD2 LEU A 76 20.811 24.398 5.355 1.00 4.05 C ATOM 0 H LEU A 76 18.690 23.813 3.226 1.00 51.41 H new ATOM 0 HA LEU A 76 21.471 23.410 2.399 1.00 14.32 H new ATOM 0 HB2 LEU A 76 19.572 22.179 4.391 1.00 3.23 H new ATOM 0 HB3 LEU A 76 20.997 21.293 3.888 1.00 3.23 H new ATOM 0 HG LEU A 76 21.407 22.447 5.979 1.00 2.15 H new ATOM 0 HD11 LEU A 76 23.433 23.703 5.360 1.00 41.53 H new ATOM 0 HD12 LEU A 76 23.288 22.186 4.440 1.00 41.53 H new ATOM 0 HD13 LEU A 76 22.888 23.738 3.666 1.00 41.53 H new ATOM 0 HD21 LEU A 76 21.415 24.909 6.105 1.00 4.05 H new ATOM 0 HD22 LEU A 76 20.789 24.991 4.441 1.00 4.05 H new ATOM 0 HD23 LEU A 76 19.795 24.272 5.731 1.00 4.05 H new ATOM 1142 N ALA A 77 19.249 22.210 0.697 1.00 63.23 N ATOM 1143 CA ALA A 77 18.866 21.294 -0.370 1.00 62.43 C ATOM 1144 C ALA A 77 19.722 21.510 -1.614 1.00 1.34 C ATOM 1145 O ALA A 77 19.337 22.243 -2.525 1.00 11.22 O ATOM 1146 CB ALA A 77 17.392 21.462 -0.706 1.00 72.23 C ATOM 0 H ALA A 77 18.727 23.086 0.709 1.00 63.23 H new ATOM 0 HA ALA A 77 19.034 20.276 -0.018 1.00 62.43 H new ATOM 0 HB1 ALA A 77 17.120 20.772 -1.504 1.00 72.23 H new ATOM 0 HB2 ALA A 77 16.791 21.249 0.178 1.00 72.23 H new ATOM 0 HB3 ALA A 77 17.208 22.485 -1.033 1.00 72.23 H new ATOM 1152 N PHE A 78 20.886 20.869 -1.644 1.00 75.25 N ATOM 1153 CA PHE A 78 21.797 20.993 -2.776 1.00 22.11 C ATOM 1154 C PHE A 78 21.525 19.910 -3.815 1.00 73.43 C ATOM 1155 O PHE A 78 21.656 18.719 -3.536 1.00 64.21 O ATOM 1156 CB PHE A 78 23.249 20.906 -2.300 1.00 71.43 C ATOM 1157 CG PHE A 78 24.214 21.644 -3.183 1.00 63.51 C ATOM 1158 CD1 PHE A 78 24.216 23.028 -3.225 1.00 1.44 C ATOM 1159 CD2 PHE A 78 25.120 20.952 -3.972 1.00 13.22 C ATOM 1160 CE1 PHE A 78 25.103 23.711 -4.036 1.00 25.34 C ATOM 1161 CE2 PHE A 78 26.010 21.629 -4.784 1.00 73.13 C ATOM 1162 CZ PHE A 78 26.001 23.010 -4.817 1.00 73.32 C ATOM 0 H PHE A 78 21.220 20.259 -0.898 1.00 75.25 H new ATOM 0 HA PHE A 78 21.631 21.965 -3.239 1.00 22.11 H new ATOM 0 HB2 PHE A 78 23.316 21.306 -1.288 1.00 71.43 H new ATOM 0 HB3 PHE A 78 23.544 19.858 -2.249 1.00 71.43 H new ATOM 0 HD1 PHE A 78 23.516 23.581 -2.616 1.00 1.44 H new ATOM 0 HD2 PHE A 78 25.130 19.872 -3.952 1.00 13.22 H new ATOM 0 HE1 PHE A 78 25.094 24.791 -4.059 1.00 25.34 H new ATOM 0 HE2 PHE A 78 26.712 21.079 -5.393 1.00 73.13 H new ATOM 0 HZ PHE A 78 26.695 23.541 -5.452 1.00 73.32 H new ATOM 1172 N GLY A 79 21.143 20.333 -5.017 1.00 31.13 N ATOM 1173 CA GLY A 79 20.857 19.388 -6.080 1.00 32.41 C ATOM 1174 C GLY A 79 19.384 19.040 -6.165 1.00 60.55 C ATOM 1175 O GLY A 79 18.853 18.819 -7.255 1.00 14.43 O ATOM 0 H GLY A 79 21.027 21.314 -5.273 1.00 31.13 H new ATOM 0 HA2 GLY A 79 21.184 19.807 -7.032 1.00 32.41 H new ATOM 0 HA3 GLY A 79 21.434 18.477 -5.917 1.00 32.41 H new ATOM 1179 N LEU A 80 18.722 18.988 -5.015 1.00 23.42 N ATOM 1180 CA LEU A 80 17.301 18.662 -4.963 1.00 63.24 C ATOM 1181 C LEU A 80 16.499 19.577 -5.883 1.00 1.23 C ATOM 1182 O LEU A 80 16.901 20.709 -6.155 1.00 15.34 O ATOM 1183 CB LEU A 80 16.783 18.779 -3.529 1.00 74.01 C ATOM 1184 CG LEU A 80 15.418 18.147 -3.255 1.00 74.52 C ATOM 1185 CD1 LEU A 80 15.581 16.714 -2.770 1.00 54.42 C ATOM 1186 CD2 LEU A 80 14.642 18.971 -2.238 1.00 42.10 C ATOM 0 H LEU A 80 19.147 19.168 -4.105 1.00 23.42 H new ATOM 0 HA LEU A 80 17.176 17.634 -5.304 1.00 63.24 H new ATOM 0 HB2 LEU A 80 17.513 18.322 -2.862 1.00 74.01 H new ATOM 0 HB3 LEU A 80 16.731 19.836 -3.268 1.00 74.01 H new ATOM 0 HG LEU A 80 14.853 18.132 -4.187 1.00 74.52 H new ATOM 0 HD11 LEU A 80 14.599 16.280 -2.580 1.00 54.42 H new ATOM 0 HD12 LEU A 80 16.095 16.128 -3.532 1.00 54.42 H new ATOM 0 HD13 LEU A 80 16.166 16.706 -1.850 1.00 54.42 H new ATOM 0 HD21 LEU A 80 13.673 18.506 -2.056 1.00 42.10 H new ATOM 0 HD22 LEU A 80 15.203 19.019 -1.305 1.00 42.10 H new ATOM 0 HD23 LEU A 80 14.493 19.979 -2.624 1.00 42.10 H new ATOM 1198 N THR A 81 15.361 19.081 -6.358 1.00 21.50 N ATOM 1199 CA THR A 81 14.502 19.853 -7.246 1.00 14.44 C ATOM 1200 C THR A 81 13.585 20.780 -6.455 1.00 24.15 C ATOM 1201 O THR A 81 13.453 20.647 -5.238 1.00 34.42 O ATOM 1202 CB THR A 81 13.641 18.935 -8.134 1.00 42.32 C ATOM 1203 OG1 THR A 81 13.137 17.839 -7.363 1.00 0.32 O ATOM 1204 CG2 THR A 81 14.450 18.406 -9.309 1.00 23.35 C ATOM 0 H THR A 81 15.013 18.147 -6.142 1.00 21.50 H new ATOM 0 HA THR A 81 15.158 20.449 -7.880 1.00 14.44 H new ATOM 0 HB THR A 81 12.806 19.519 -8.521 1.00 42.32 H new ATOM 0 HG1 THR A 81 12.576 17.270 -7.931 1.00 0.32 H new ATOM 0 HG21 THR A 81 13.821 17.760 -9.922 1.00 23.35 H new ATOM 0 HG22 THR A 81 14.807 19.242 -9.911 1.00 23.35 H new ATOM 0 HG23 THR A 81 15.302 17.836 -8.937 1.00 23.35 H new ATOM 1212 N ASP A 82 12.955 21.718 -7.153 1.00 0.05 N ATOM 1213 CA ASP A 82 12.049 22.666 -6.515 1.00 0.31 C ATOM 1214 C ASP A 82 10.662 22.057 -6.337 1.00 53.13 C ATOM 1215 O ASP A 82 9.745 22.709 -5.836 1.00 33.52 O ATOM 1216 CB ASP A 82 11.954 23.949 -7.342 1.00 42.14 C ATOM 1217 CG ASP A 82 13.284 24.343 -7.954 1.00 42.10 C ATOM 1218 OD1 ASP A 82 14.135 24.892 -7.222 1.00 71.33 O ATOM 1219 OD2 ASP A 82 13.475 24.102 -9.164 1.00 52.12 O ATOM 0 H ASP A 82 13.055 21.842 -8.160 1.00 0.05 H new ATOM 0 HA ASP A 82 12.449 22.907 -5.530 1.00 0.31 H new ATOM 0 HB2 ASP A 82 11.219 23.813 -8.135 1.00 42.14 H new ATOM 0 HB3 ASP A 82 11.594 24.760 -6.709 1.00 42.14 H new ATOM 1224 N THR A 83 10.514 20.803 -6.753 1.00 31.11 N ATOM 1225 CA THR A 83 9.239 20.106 -6.642 1.00 54.31 C ATOM 1226 C THR A 83 9.258 19.103 -5.495 1.00 21.21 C ATOM 1227 O THR A 83 8.209 18.696 -4.995 1.00 42.22 O ATOM 1228 CB THR A 83 8.886 19.369 -7.948 1.00 12.31 C ATOM 1229 OG1 THR A 83 9.641 18.157 -8.046 1.00 22.24 O ATOM 1230 CG2 THR A 83 9.167 20.247 -9.158 1.00 5.21 C ATOM 0 H THR A 83 11.262 20.249 -7.170 1.00 31.11 H new ATOM 0 HA THR A 83 8.481 20.864 -6.445 1.00 54.31 H new ATOM 0 HB THR A 83 7.822 19.133 -7.930 1.00 12.31 H new ATOM 0 HG1 THR A 83 9.409 17.694 -8.878 1.00 22.24 H new ATOM 0 HG21 THR A 83 8.910 19.705 -10.068 1.00 5.21 H new ATOM 0 HG22 THR A 83 8.568 21.156 -9.095 1.00 5.21 H new ATOM 0 HG23 THR A 83 10.225 20.510 -9.179 1.00 5.21 H new ATOM 1238 N SER A 84 10.458 18.707 -5.081 1.00 52.21 N ATOM 1239 CA SER A 84 10.613 17.748 -3.994 1.00 4.12 C ATOM 1240 C SER A 84 10.444 18.430 -2.639 1.00 74.15 C ATOM 1241 O SER A 84 11.084 19.443 -2.358 1.00 31.14 O ATOM 1242 CB SER A 84 11.986 17.076 -4.071 1.00 13.23 C ATOM 1243 OG SER A 84 12.323 16.462 -2.839 1.00 12.33 O ATOM 0 H SER A 84 11.336 19.036 -5.482 1.00 52.21 H new ATOM 0 HA SER A 84 9.838 16.989 -4.099 1.00 4.12 H new ATOM 0 HB2 SER A 84 11.985 16.329 -4.865 1.00 13.23 H new ATOM 0 HB3 SER A 84 12.743 17.816 -4.331 1.00 13.23 H new ATOM 0 HG SER A 84 12.610 15.539 -3.001 1.00 12.33 H new ATOM 1249 N ARG A 85 9.576 17.866 -1.805 1.00 40.42 N ATOM 1250 CA ARG A 85 9.320 18.420 -0.481 1.00 20.42 C ATOM 1251 C ARG A 85 9.676 17.411 0.608 1.00 41.33 C ATOM 1252 O ARG A 85 9.384 16.221 0.486 1.00 72.11 O ATOM 1253 CB ARG A 85 7.852 18.829 -0.351 1.00 12.31 C ATOM 1254 CG ARG A 85 7.315 19.565 -1.568 1.00 33.41 C ATOM 1255 CD ARG A 85 8.102 20.837 -1.842 1.00 73.44 C ATOM 1256 NE ARG A 85 8.251 21.657 -0.644 1.00 3.14 N ATOM 1257 CZ ARG A 85 9.184 22.593 -0.505 1.00 70.21 C ATOM 1258 NH1 ARG A 85 10.045 22.825 -1.486 1.00 40.41 N ATOM 1259 NH2 ARG A 85 9.256 23.298 0.616 1.00 4.33 N ATOM 0 H ARG A 85 9.039 17.027 -2.023 1.00 40.42 H new ATOM 0 HA ARG A 85 9.948 19.302 -0.356 1.00 20.42 H new ATOM 0 HB2 ARG A 85 7.249 17.937 -0.181 1.00 12.31 H new ATOM 0 HB3 ARG A 85 7.737 19.464 0.527 1.00 12.31 H new ATOM 0 HG2 ARG A 85 7.362 18.912 -2.439 1.00 33.41 H new ATOM 0 HG3 ARG A 85 6.265 19.812 -1.411 1.00 33.41 H new ATOM 0 HD2 ARG A 85 9.088 20.577 -2.228 1.00 73.44 H new ATOM 0 HD3 ARG A 85 7.598 21.415 -2.617 1.00 73.44 H new ATOM 0 HE ARG A 85 7.604 21.503 0.129 1.00 3.14 H new ATOM 0 HH11 ARG A 85 9.992 22.285 -2.349 1.00 40.41 H new ATOM 0 HH12 ARG A 85 10.760 23.544 -1.377 1.00 40.41 H new ATOM 0 HH21 ARG A 85 8.595 23.122 1.373 1.00 4.33 H new ATOM 0 HH22 ARG A 85 9.973 24.016 0.722 1.00 4.33 H new ATOM 1273 N LEU A 86 10.309 17.895 1.671 1.00 50.03 N ATOM 1274 CA LEU A 86 10.706 17.036 2.781 1.00 12.43 C ATOM 1275 C LEU A 86 11.545 15.862 2.289 1.00 72.34 C ATOM 1276 O LEU A 86 11.577 14.803 2.915 1.00 45.24 O ATOM 1277 CB LEU A 86 9.470 16.521 3.520 1.00 74.40 C ATOM 1278 CG LEU A 86 9.718 15.911 4.900 1.00 20.10 C ATOM 1279 CD1 LEU A 86 9.615 16.976 5.981 1.00 43.14 C ATOM 1280 CD2 LEU A 86 8.736 14.780 5.168 1.00 13.12 C ATOM 0 H LEU A 86 10.558 18.877 1.788 1.00 50.03 H new ATOM 0 HA LEU A 86 11.312 17.628 3.467 1.00 12.43 H new ATOM 0 HB2 LEU A 86 8.768 17.347 3.631 1.00 74.40 H new ATOM 0 HB3 LEU A 86 8.984 15.771 2.896 1.00 74.40 H new ATOM 0 HG LEU A 86 10.728 15.501 4.918 1.00 20.10 H new ATOM 0 HD11 LEU A 86 9.794 16.523 6.956 1.00 43.14 H new ATOM 0 HD12 LEU A 86 10.358 17.752 5.799 1.00 43.14 H new ATOM 0 HD13 LEU A 86 8.618 17.417 5.964 1.00 43.14 H new ATOM 0 HD21 LEU A 86 8.928 14.358 6.155 1.00 13.12 H new ATOM 0 HD22 LEU A 86 7.717 15.166 5.130 1.00 13.12 H new ATOM 0 HD23 LEU A 86 8.859 14.005 4.412 1.00 13.12 H new ATOM 1292 N GLY A 87 12.224 16.057 1.163 1.00 44.44 N ATOM 1293 CA GLY A 87 13.056 15.006 0.606 1.00 2.50 C ATOM 1294 C GLY A 87 14.484 15.460 0.372 1.00 74.33 C ATOM 1295 O GLY A 87 14.801 16.640 0.526 1.00 34.33 O ATOM 0 H GLY A 87 12.213 16.924 0.626 1.00 44.44 H new ATOM 0 HA2 GLY A 87 13.056 14.150 1.281 1.00 2.50 H new ATOM 0 HA3 GLY A 87 12.626 14.668 -0.337 1.00 2.50 H new ATOM 1299 N CYS A 88 15.347 14.521 -0.001 1.00 11.34 N ATOM 1300 CA CYS A 88 16.750 14.830 -0.254 1.00 53.12 C ATOM 1301 C CYS A 88 17.178 14.323 -1.627 1.00 43.54 C ATOM 1302 O CYS A 88 17.957 14.974 -2.323 1.00 64.25 O ATOM 1303 CB CYS A 88 17.634 14.212 0.830 1.00 73.42 C ATOM 1304 SG CYS A 88 17.327 14.859 2.490 1.00 24.52 S ATOM 0 H CYS A 88 15.100 13.540 -0.135 1.00 11.34 H new ATOM 0 HA CYS A 88 16.868 15.913 -0.233 1.00 53.12 H new ATOM 0 HB2 CYS A 88 17.480 13.133 0.838 1.00 73.42 H new ATOM 0 HB3 CYS A 88 18.679 14.383 0.573 1.00 73.42 H new ATOM 0 HG CYS A 88 18.121 14.274 3.337 1.00 24.52 H new ATOM 1310 N GLN A 89 16.665 13.158 -2.009 1.00 42.42 N ATOM 1311 CA GLN A 89 16.997 12.564 -3.298 1.00 62.34 C ATOM 1312 C GLN A 89 15.742 12.341 -4.135 1.00 15.11 C ATOM 1313 O GLN A 89 15.710 11.471 -5.006 1.00 5.13 O ATOM 1314 CB GLN A 89 17.732 11.237 -3.098 1.00 5.42 C ATOM 1315 CG GLN A 89 18.698 10.901 -4.223 1.00 20.12 C ATOM 1316 CD GLN A 89 18.827 9.408 -4.454 1.00 52.23 C ATOM 1317 OE1 GLN A 89 17.930 8.636 -4.115 1.00 54.02 O ATOM 1318 NE2 GLN A 89 19.947 8.993 -5.035 1.00 13.41 N ATOM 0 H GLN A 89 16.018 12.607 -1.444 1.00 42.42 H new ATOM 0 HA GLN A 89 17.649 13.256 -3.831 1.00 62.34 H new ATOM 0 HB2 GLN A 89 18.281 11.274 -2.157 1.00 5.42 H new ATOM 0 HB3 GLN A 89 16.999 10.435 -3.008 1.00 5.42 H new ATOM 0 HG2 GLN A 89 18.360 11.379 -5.142 1.00 20.12 H new ATOM 0 HG3 GLN A 89 19.679 11.315 -3.990 1.00 20.12 H new ATOM 0 HE21 GLN A 89 20.665 9.668 -5.300 1.00 13.41 H new ATOM 0 HE22 GLN A 89 20.089 7.999 -5.217 1.00 13.41 H new ATOM 1327 N ILE A 90 14.709 13.132 -3.864 1.00 53.04 N ATOM 1328 CA ILE A 90 13.451 13.021 -4.593 1.00 0.21 C ATOM 1329 C ILE A 90 12.995 11.569 -4.684 1.00 53.12 C ATOM 1330 O ILE A 90 13.277 10.880 -5.665 1.00 30.33 O ATOM 1331 CB ILE A 90 13.571 13.600 -6.015 1.00 43.10 C ATOM 1332 CG1 ILE A 90 14.743 14.581 -6.093 1.00 21.24 C ATOM 1333 CG2 ILE A 90 12.274 14.283 -6.420 1.00 52.52 C ATOM 1334 CD1 ILE A 90 14.909 15.217 -7.455 1.00 4.12 C ATOM 0 H ILE A 90 14.718 13.856 -3.146 1.00 53.04 H new ATOM 0 HA ILE A 90 12.712 13.597 -4.036 1.00 0.21 H new ATOM 0 HB ILE A 90 13.760 12.782 -6.710 1.00 43.10 H new ATOM 0 HG12 ILE A 90 14.600 15.365 -5.350 1.00 21.24 H new ATOM 0 HG13 ILE A 90 15.662 14.058 -5.831 1.00 21.24 H new ATOM 0 HG21 ILE A 90 12.375 14.687 -7.427 1.00 52.52 H new ATOM 0 HG22 ILE A 90 11.460 13.559 -6.399 1.00 52.52 H new ATOM 0 HG23 ILE A 90 12.057 15.093 -5.724 1.00 52.52 H new ATOM 0 HD11 ILE A 90 15.758 15.900 -7.436 1.00 4.12 H new ATOM 0 HD12 ILE A 90 15.084 14.441 -8.200 1.00 4.12 H new ATOM 0 HD13 ILE A 90 14.005 15.769 -7.711 1.00 4.12 H new ATOM 1346 N ILE A 91 12.287 11.112 -3.657 1.00 72.51 N ATOM 1347 CA ILE A 91 11.789 9.742 -3.623 1.00 14.11 C ATOM 1348 C ILE A 91 10.270 9.713 -3.482 1.00 25.23 C ATOM 1349 O ILE A 91 9.720 10.167 -2.477 1.00 64.34 O ATOM 1350 CB ILE A 91 12.416 8.944 -2.465 1.00 60.51 C ATOM 1351 CG1 ILE A 91 12.443 9.788 -1.190 1.00 14.14 C ATOM 1352 CG2 ILE A 91 13.820 8.489 -2.835 1.00 70.21 C ATOM 1353 CD1 ILE A 91 12.943 9.035 0.023 1.00 14.24 C ATOM 0 H ILE A 91 12.045 11.670 -2.838 1.00 72.51 H new ATOM 0 HA ILE A 91 12.073 9.279 -4.568 1.00 14.11 H new ATOM 0 HB ILE A 91 11.805 8.060 -2.280 1.00 60.51 H new ATOM 0 HG12 ILE A 91 13.078 10.659 -1.354 1.00 14.14 H new ATOM 0 HG13 ILE A 91 11.438 10.159 -0.988 1.00 14.14 H new ATOM 0 HG21 ILE A 91 14.250 7.926 -2.007 1.00 70.21 H new ATOM 0 HG22 ILE A 91 13.775 7.855 -3.720 1.00 70.21 H new ATOM 0 HG23 ILE A 91 14.442 9.360 -3.044 1.00 70.21 H new ATOM 0 HD11 ILE A 91 12.935 9.695 0.890 1.00 14.24 H new ATOM 0 HD12 ILE A 91 12.295 8.179 0.213 1.00 14.24 H new ATOM 0 HD13 ILE A 91 13.960 8.687 -0.159 1.00 14.24 H new ATOM 1365 N LEU A 92 9.598 9.174 -4.493 1.00 42.51 N ATOM 1366 CA LEU A 92 8.142 9.083 -4.482 1.00 3.42 C ATOM 1367 C LEU A 92 7.648 8.427 -3.197 1.00 33.20 C ATOM 1368 O LEU A 92 8.439 7.920 -2.401 1.00 31.11 O ATOM 1369 CB LEU A 92 7.652 8.291 -5.695 1.00 32.33 C ATOM 1370 CG LEU A 92 8.162 8.763 -7.056 1.00 52.45 C ATOM 1371 CD1 LEU A 92 8.588 7.578 -7.908 1.00 24.43 C ATOM 1372 CD2 LEU A 92 7.095 9.579 -7.772 1.00 12.34 C ATOM 0 H LEU A 92 10.038 8.793 -5.331 1.00 42.51 H new ATOM 0 HA LEU A 92 7.738 10.094 -4.530 1.00 3.42 H new ATOM 0 HB2 LEU A 92 7.940 7.248 -5.563 1.00 32.33 H new ATOM 0 HB3 LEU A 92 6.562 8.321 -5.707 1.00 32.33 H new ATOM 0 HG LEU A 92 9.032 9.400 -6.894 1.00 52.45 H new ATOM 0 HD11 LEU A 92 8.948 7.934 -8.873 1.00 24.43 H new ATOM 0 HD12 LEU A 92 9.385 7.034 -7.402 1.00 24.43 H new ATOM 0 HD13 LEU A 92 7.736 6.915 -8.061 1.00 24.43 H new ATOM 0 HD21 LEU A 92 7.476 9.907 -8.739 1.00 12.34 H new ATOM 0 HD22 LEU A 92 6.206 8.965 -7.921 1.00 12.34 H new ATOM 0 HD23 LEU A 92 6.838 10.450 -7.169 1.00 12.34 H new ATOM 1384 N THR A 93 6.333 8.437 -3.001 1.00 52.51 N ATOM 1385 CA THR A 93 5.732 7.842 -1.814 1.00 41.50 C ATOM 1386 C THR A 93 4.261 7.516 -2.047 1.00 3.12 C ATOM 1387 O THR A 93 3.636 8.042 -2.967 1.00 52.45 O ATOM 1388 CB THR A 93 5.852 8.777 -0.595 1.00 61.23 C ATOM 1389 OG1 THR A 93 4.864 8.435 0.383 1.00 25.35 O ATOM 1390 CG2 THR A 93 5.681 10.231 -1.009 1.00 22.40 C ATOM 0 H THR A 93 5.664 8.851 -3.650 1.00 52.51 H new ATOM 0 HA THR A 93 6.278 6.921 -1.611 1.00 41.50 H new ATOM 0 HB THR A 93 6.846 8.653 -0.166 1.00 61.23 H new ATOM 0 HG1 THR A 93 5.202 7.711 0.951 1.00 25.35 H new ATOM 0 HG21 THR A 93 5.770 10.872 -0.132 1.00 22.40 H new ATOM 0 HG22 THR A 93 6.452 10.497 -1.732 1.00 22.40 H new ATOM 0 HG23 THR A 93 4.698 10.368 -1.460 1.00 22.40 H new ATOM 1398 N LYS A 94 3.713 6.645 -1.207 1.00 23.14 N ATOM 1399 CA LYS A 94 2.314 6.249 -1.319 1.00 25.02 C ATOM 1400 C LYS A 94 1.397 7.465 -1.245 1.00 41.41 C ATOM 1401 O LYS A 94 0.244 7.411 -1.672 1.00 23.31 O ATOM 1402 CB LYS A 94 1.953 5.257 -0.211 1.00 64.20 C ATOM 1403 CG LYS A 94 0.487 5.294 0.185 1.00 45.12 C ATOM 1404 CD LYS A 94 0.106 4.087 1.026 1.00 41.41 C ATOM 1405 CE LYS A 94 -0.662 3.059 0.209 1.00 1.25 C ATOM 1406 NZ LYS A 94 -1.998 2.768 0.800 1.00 65.32 N ATOM 0 H LYS A 94 4.217 6.199 -0.440 1.00 23.14 H new ATOM 0 HA LYS A 94 2.175 5.769 -2.288 1.00 25.02 H new ATOM 0 HB2 LYS A 94 2.206 4.249 -0.540 1.00 64.20 H new ATOM 0 HB3 LYS A 94 2.563 5.468 0.667 1.00 64.20 H new ATOM 0 HG2 LYS A 94 0.283 6.207 0.744 1.00 45.12 H new ATOM 0 HG3 LYS A 94 -0.132 5.324 -0.711 1.00 45.12 H new ATOM 0 HD2 LYS A 94 1.006 3.629 1.436 1.00 41.41 H new ATOM 0 HD3 LYS A 94 -0.501 4.409 1.872 1.00 41.41 H new ATOM 0 HE2 LYS A 94 -0.787 3.425 -0.810 1.00 1.25 H new ATOM 0 HE3 LYS A 94 -0.083 2.137 0.148 1.00 1.25 H new ATOM 0 HZ1 LYS A 94 -2.490 2.063 0.215 1.00 65.32 H new ATOM 0 HZ2 LYS A 94 -1.878 2.395 1.763 1.00 65.32 H new ATOM 0 HZ3 LYS A 94 -2.560 3.642 0.835 1.00 65.32 H new ATOM 1420 N GLU A 95 1.918 8.562 -0.703 1.00 33.35 N ATOM 1421 CA GLU A 95 1.144 9.791 -0.575 1.00 1.15 C ATOM 1422 C GLU A 95 0.543 10.198 -1.917 1.00 2.11 C ATOM 1423 O GLU A 95 -0.477 10.887 -1.970 1.00 63.33 O ATOM 1424 CB GLU A 95 2.025 10.920 -0.034 1.00 75.03 C ATOM 1425 CG GLU A 95 1.708 11.305 1.401 1.00 12.10 C ATOM 1426 CD GLU A 95 1.484 12.795 1.569 1.00 10.44 C ATOM 1427 OE1 GLU A 95 0.866 13.407 0.673 1.00 73.32 O ATOM 1428 OE2 GLU A 95 1.927 13.350 2.597 1.00 51.14 O ATOM 0 H GLU A 95 2.871 8.624 -0.346 1.00 33.35 H new ATOM 0 HA GLU A 95 0.330 9.607 0.126 1.00 1.15 H new ATOM 0 HB2 GLU A 95 3.070 10.616 -0.097 1.00 75.03 H new ATOM 0 HB3 GLU A 95 1.909 11.797 -0.671 1.00 75.03 H new ATOM 0 HG2 GLU A 95 0.818 10.768 1.729 1.00 12.10 H new ATOM 0 HG3 GLU A 95 2.527 10.989 2.047 1.00 12.10 H new ATOM 1435 N LEU A 96 1.182 9.768 -2.999 1.00 45.21 N ATOM 1436 CA LEU A 96 0.713 10.087 -4.343 1.00 15.43 C ATOM 1437 C LEU A 96 -0.149 8.959 -4.901 1.00 12.24 C ATOM 1438 O LEU A 96 -0.253 8.786 -6.115 1.00 51.51 O ATOM 1439 CB LEU A 96 1.900 10.345 -5.272 1.00 20.10 C ATOM 1440 CG LEU A 96 2.863 11.452 -4.840 1.00 75.22 C ATOM 1441 CD1 LEU A 96 3.862 10.923 -3.823 1.00 40.31 C ATOM 1442 CD2 LEU A 96 3.584 12.032 -6.048 1.00 0.22 C ATOM 0 H LEU A 96 2.027 9.197 -2.972 1.00 45.21 H new ATOM 0 HA LEU A 96 0.104 10.989 -4.284 1.00 15.43 H new ATOM 0 HB2 LEU A 96 2.465 9.418 -5.372 1.00 20.10 H new ATOM 0 HB3 LEU A 96 1.514 10.592 -6.261 1.00 20.10 H new ATOM 0 HG LEU A 96 2.285 12.248 -4.370 1.00 75.22 H new ATOM 0 HD11 LEU A 96 4.539 11.724 -3.527 1.00 40.31 H new ATOM 0 HD12 LEU A 96 3.329 10.556 -2.946 1.00 40.31 H new ATOM 0 HD13 LEU A 96 4.435 10.109 -4.266 1.00 40.31 H new ATOM 0 HD21 LEU A 96 4.265 12.818 -5.722 1.00 0.22 H new ATOM 0 HD22 LEU A 96 4.150 11.245 -6.546 1.00 0.22 H new ATOM 0 HD23 LEU A 96 2.854 12.449 -6.742 1.00 0.22 H new ATOM 1454 N ASP A 97 -0.767 8.196 -4.006 1.00 25.41 N ATOM 1455 CA ASP A 97 -1.622 7.086 -4.409 1.00 34.35 C ATOM 1456 C ASP A 97 -2.867 7.593 -5.129 1.00 53.25 C ATOM 1457 O ASP A 97 -3.690 8.299 -4.547 1.00 43.14 O ATOM 1458 CB ASP A 97 -2.027 6.257 -3.188 1.00 62.13 C ATOM 1459 CG ASP A 97 -2.803 7.068 -2.169 1.00 64.20 C ATOM 1460 OD1 ASP A 97 -2.268 8.091 -1.693 1.00 25.14 O ATOM 1461 OD2 ASP A 97 -3.945 6.680 -1.848 1.00 73.23 O ATOM 0 H ASP A 97 -0.692 8.326 -2.997 1.00 25.41 H new ATOM 0 HA ASP A 97 -1.057 6.456 -5.096 1.00 34.35 H new ATOM 0 HB2 ASP A 97 -2.633 5.411 -3.512 1.00 62.13 H new ATOM 0 HB3 ASP A 97 -1.133 5.848 -2.718 1.00 62.13 H new ATOM 1466 N GLY A 98 -2.998 7.229 -6.402 1.00 13.14 N ATOM 1467 CA GLY A 98 -4.145 7.657 -7.182 1.00 4.54 C ATOM 1468 C GLY A 98 -3.995 9.073 -7.703 1.00 62.22 C ATOM 1469 O GLY A 98 -4.941 9.647 -8.243 1.00 53.11 O ATOM 0 H GLY A 98 -2.330 6.646 -6.906 1.00 13.14 H new ATOM 0 HA2 GLY A 98 -4.284 6.977 -8.022 1.00 4.54 H new ATOM 0 HA3 GLY A 98 -5.043 7.592 -6.568 1.00 4.54 H new ATOM 1473 N LEU A 99 -2.804 9.638 -7.541 1.00 43.21 N ATOM 1474 CA LEU A 99 -2.533 10.997 -7.998 1.00 70.25 C ATOM 1475 C LEU A 99 -1.542 10.994 -9.158 1.00 75.34 C ATOM 1476 O LEU A 99 -0.702 10.100 -9.268 1.00 10.04 O ATOM 1477 CB LEU A 99 -1.986 11.844 -6.848 1.00 71.21 C ATOM 1478 CG LEU A 99 -3.016 12.346 -5.835 1.00 60.53 C ATOM 1479 CD1 LEU A 99 -3.476 11.210 -4.935 1.00 30.24 C ATOM 1480 CD2 LEU A 99 -2.439 13.485 -5.008 1.00 30.22 C ATOM 0 H LEU A 99 -2.010 9.177 -7.097 1.00 43.21 H new ATOM 0 HA LEU A 99 -3.471 11.430 -8.346 1.00 70.25 H new ATOM 0 HB2 LEU A 99 -1.238 11.257 -6.315 1.00 71.21 H new ATOM 0 HB3 LEU A 99 -1.472 12.707 -7.271 1.00 71.21 H new ATOM 0 HG LEU A 99 -3.881 12.723 -6.381 1.00 60.53 H new ATOM 0 HD11 LEU A 99 -4.209 11.586 -4.221 1.00 30.24 H new ATOM 0 HD12 LEU A 99 -3.930 10.426 -5.542 1.00 30.24 H new ATOM 0 HD13 LEU A 99 -2.620 10.803 -4.397 1.00 30.24 H new ATOM 0 HD21 LEU A 99 -3.186 13.830 -4.293 1.00 30.22 H new ATOM 0 HD22 LEU A 99 -1.557 13.135 -4.472 1.00 30.22 H new ATOM 0 HD23 LEU A 99 -2.160 14.308 -5.666 1.00 30.22 H new ATOM 1492 N CYS A 100 -1.646 11.999 -10.020 1.00 40.04 N ATOM 1493 CA CYS A 100 -0.758 12.113 -11.172 1.00 10.20 C ATOM 1494 C CYS A 100 0.318 13.166 -10.927 1.00 21.25 C ATOM 1495 O CYS A 100 0.017 14.306 -10.572 1.00 61.21 O ATOM 1496 CB CYS A 100 -1.558 12.467 -12.426 1.00 54.42 C ATOM 1497 SG CYS A 100 -2.531 13.984 -12.277 1.00 50.32 S ATOM 0 H CYS A 100 -2.336 12.746 -9.943 1.00 40.04 H new ATOM 0 HA CYS A 100 -0.271 11.149 -11.321 1.00 10.20 H new ATOM 0 HB2 CYS A 100 -0.870 12.570 -13.266 1.00 54.42 H new ATOM 0 HB3 CYS A 100 -2.228 11.640 -12.662 1.00 54.42 H new ATOM 0 HG CYS A 100 -1.906 14.827 -11.510 1.00 50.32 H new ATOM 1503 N VAL A 101 1.575 12.775 -11.116 1.00 14.52 N ATOM 1504 CA VAL A 101 2.696 13.685 -10.915 1.00 23.05 C ATOM 1505 C VAL A 101 3.764 13.485 -11.984 1.00 3.51 C ATOM 1506 O VAL A 101 3.733 12.508 -12.732 1.00 54.13 O ATOM 1507 CB VAL A 101 3.334 13.491 -9.526 1.00 15.43 C ATOM 1508 CG1 VAL A 101 2.297 13.691 -8.430 1.00 63.41 C ATOM 1509 CG2 VAL A 101 3.974 12.116 -9.421 1.00 63.31 C ATOM 0 H VAL A 101 1.842 11.835 -11.408 1.00 14.52 H new ATOM 0 HA VAL A 101 2.299 14.698 -10.987 1.00 23.05 H new ATOM 0 HB VAL A 101 4.115 14.240 -9.396 1.00 15.43 H new ATOM 0 HG11 VAL A 101 2.765 13.550 -7.456 1.00 63.41 H new ATOM 0 HG12 VAL A 101 1.890 14.700 -8.494 1.00 63.41 H new ATOM 0 HG13 VAL A 101 1.492 12.966 -8.554 1.00 63.41 H new ATOM 0 HG21 VAL A 101 4.420 11.997 -8.433 1.00 63.31 H new ATOM 0 HG22 VAL A 101 3.215 11.349 -9.572 1.00 63.31 H new ATOM 0 HG23 VAL A 101 4.747 12.016 -10.183 1.00 63.31 H new ATOM 1519 N ILE A 102 4.709 14.417 -12.050 1.00 0.42 N ATOM 1520 CA ILE A 102 5.788 14.343 -13.027 1.00 21.12 C ATOM 1521 C ILE A 102 6.936 13.480 -12.513 1.00 51.24 C ATOM 1522 O ILE A 102 7.198 13.427 -11.311 1.00 13.21 O ATOM 1523 CB ILE A 102 6.329 15.742 -13.376 1.00 71.02 C ATOM 1524 CG1 ILE A 102 5.200 16.632 -13.900 1.00 45.55 C ATOM 1525 CG2 ILE A 102 7.448 15.637 -14.402 1.00 33.52 C ATOM 1526 CD1 ILE A 102 4.579 16.128 -15.184 1.00 63.11 C ATOM 0 H ILE A 102 4.749 15.232 -11.438 1.00 0.42 H new ATOM 0 HA ILE A 102 5.369 13.890 -13.926 1.00 21.12 H new ATOM 0 HB ILE A 102 6.734 16.195 -12.471 1.00 71.02 H new ATOM 0 HG12 ILE A 102 4.425 16.709 -13.137 1.00 45.55 H new ATOM 0 HG13 ILE A 102 5.587 17.638 -14.064 1.00 45.55 H new ATOM 0 HG21 ILE A 102 7.820 16.634 -14.638 1.00 33.52 H new ATOM 0 HG22 ILE A 102 8.260 15.034 -13.995 1.00 33.52 H new ATOM 0 HG23 ILE A 102 7.067 15.167 -15.309 1.00 33.52 H new ATOM 0 HD11 ILE A 102 3.786 16.808 -15.496 1.00 63.11 H new ATOM 0 HD12 ILE A 102 5.341 16.078 -15.962 1.00 63.11 H new ATOM 0 HD13 ILE A 102 4.161 15.135 -15.021 1.00 63.11 H new ATOM 1538 N LEU A 103 7.619 12.807 -13.432 1.00 62.32 N ATOM 1539 CA LEU A 103 8.742 11.947 -13.073 1.00 72.13 C ATOM 1540 C LEU A 103 9.860 12.755 -12.423 1.00 22.31 C ATOM 1541 O LEU A 103 10.220 13.841 -12.877 1.00 52.12 O ATOM 1542 CB LEU A 103 9.273 11.225 -14.313 1.00 21.33 C ATOM 1543 CG LEU A 103 10.016 9.913 -14.058 1.00 64.01 C ATOM 1544 CD1 LEU A 103 9.064 8.856 -13.521 1.00 64.51 C ATOM 1545 CD2 LEU A 103 10.693 9.427 -15.332 1.00 15.11 C ATOM 0 H LEU A 103 7.415 12.840 -14.431 1.00 62.32 H new ATOM 0 HA LEU A 103 8.388 11.208 -12.354 1.00 72.13 H new ATOM 0 HB2 LEU A 103 8.433 11.021 -14.978 1.00 21.33 H new ATOM 0 HB3 LEU A 103 9.943 11.901 -14.844 1.00 21.33 H new ATOM 0 HG LEU A 103 10.786 10.093 -13.308 1.00 64.01 H new ATOM 0 HD11 LEU A 103 9.611 7.929 -13.346 1.00 64.51 H new ATOM 0 HD12 LEU A 103 8.627 9.202 -12.584 1.00 64.51 H new ATOM 0 HD13 LEU A 103 8.271 8.678 -14.247 1.00 64.51 H new ATOM 0 HD21 LEU A 103 11.217 8.492 -15.132 1.00 15.11 H new ATOM 0 HD22 LEU A 103 9.941 9.263 -16.104 1.00 15.11 H new ATOM 0 HD23 LEU A 103 11.406 10.177 -15.674 1.00 15.11 H new ATOM 1557 N PRO A 104 10.426 12.213 -11.334 1.00 62.44 N ATOM 1558 CA PRO A 104 11.514 12.865 -10.600 1.00 22.22 C ATOM 1559 C PRO A 104 12.818 12.882 -11.390 1.00 24.33 C ATOM 1560 O PRO A 104 13.519 13.894 -11.432 1.00 15.03 O ATOM 1561 CB PRO A 104 11.661 12.002 -9.344 1.00 0.43 C ATOM 1562 CG PRO A 104 11.145 10.663 -9.741 1.00 74.24 C ATOM 1563 CD PRO A 104 10.048 10.921 -10.737 1.00 71.23 C ATOM 0 HA PRO A 104 11.295 13.912 -10.392 1.00 22.22 H new ATOM 0 HB2 PRO A 104 12.701 11.946 -9.022 1.00 0.43 H new ATOM 0 HB3 PRO A 104 11.091 12.415 -8.511 1.00 0.43 H new ATOM 0 HG2 PRO A 104 11.936 10.055 -10.180 1.00 74.24 H new ATOM 0 HG3 PRO A 104 10.767 10.118 -8.876 1.00 74.24 H new ATOM 0 HD2 PRO A 104 9.993 10.132 -11.487 1.00 71.23 H new ATOM 0 HD3 PRO A 104 9.072 10.971 -10.255 1.00 71.23 H new ATOM 1571 N THR A 105 13.140 11.754 -12.016 1.00 43.12 N ATOM 1572 CA THR A 105 14.361 11.639 -12.804 1.00 52.34 C ATOM 1573 C THR A 105 14.045 11.362 -14.270 1.00 10.33 C ATOM 1574 O THR A 105 12.886 11.397 -14.681 1.00 32.10 O ATOM 1575 CB THR A 105 15.273 10.521 -12.267 1.00 63.43 C ATOM 1576 OG1 THR A 105 14.662 9.244 -12.483 1.00 32.21 O ATOM 1577 CG2 THR A 105 15.549 10.713 -10.784 1.00 32.54 C ATOM 0 H THR A 105 12.572 10.907 -11.992 1.00 43.12 H new ATOM 0 HA THR A 105 14.882 12.593 -12.721 1.00 52.34 H new ATOM 0 HB THR A 105 16.220 10.565 -12.805 1.00 63.43 H new ATOM 0 HG1 THR A 105 15.249 8.538 -12.140 1.00 32.21 H new ATOM 0 HG21 THR A 105 16.195 9.911 -10.427 1.00 32.54 H new ATOM 0 HG22 THR A 105 16.041 11.673 -10.627 1.00 32.54 H new ATOM 0 HG23 THR A 105 14.609 10.693 -10.233 1.00 32.54 H new ATOM 1585 N GLU A 106 15.084 11.087 -15.052 1.00 74.05 N ATOM 1586 CA GLU A 106 14.915 10.804 -16.473 1.00 10.10 C ATOM 1587 C GLU A 106 15.205 9.336 -16.774 1.00 0.44 C ATOM 1588 O GLU A 106 16.018 9.017 -17.642 1.00 31.21 O ATOM 1589 CB GLU A 106 15.835 11.698 -17.307 1.00 2.34 C ATOM 1590 CG GLU A 106 15.612 13.184 -17.077 1.00 73.42 C ATOM 1591 CD GLU A 106 16.705 14.039 -17.687 1.00 3.02 C ATOM 1592 OE1 GLU A 106 16.804 14.077 -18.931 1.00 73.34 O ATOM 1593 OE2 GLU A 106 17.462 14.670 -16.920 1.00 43.34 O ATOM 0 H GLU A 106 16.050 11.054 -14.727 1.00 74.05 H new ATOM 0 HA GLU A 106 13.879 11.014 -16.738 1.00 10.10 H new ATOM 0 HB2 GLU A 106 16.872 11.455 -17.075 1.00 2.34 H new ATOM 0 HB3 GLU A 106 15.684 11.476 -18.363 1.00 2.34 H new ATOM 0 HG2 GLU A 106 14.650 13.473 -17.501 1.00 73.42 H new ATOM 0 HG3 GLU A 106 15.559 13.378 -16.006 1.00 73.42 H new