USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 828 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 33 THR OG1 : rot 25:sc= -0.0389! USER MOD Set 1.2: A 59 TYR OH : rot -159:sc= 0.533 USER MOD Set 2.1: A 9 CYS SG : rot -110:sc= -1.32 USER MOD Set 2.2: A 62 HIS : no HE2:sc= -1.89! C(o=-3.2!,f=-5.4!) USER MOD Set 3.1: A 5 SER OG : rot 9:sc= 0.369 USER MOD Set 3.2: A 100 MET CE :methyl -153:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 1:sc= 0.584 USER MOD Single : A 3 SER OG : rot 57:sc= 0.528 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 164:sc= -0.0463 (180deg=-0.342) USER MOD Single : A 20 LYS NZ :NH3+ -136:sc= 0.241 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.2!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.43 USER MOD Single : A 67 MET CE :methyl -155:sc= -0.0109 (180deg=-0.163) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -165:sc= -6.85! (180deg=-8.14!) USER MOD Single : A 78 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 82 HIS :FLIP no HD1:sc= -0.697 F(o=-2.9,f=-0.7) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0213 USER MOD Single : A 104 SER OG : rot 20:sc= 0.494 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.690 18.619 2.812 1.00 0.00 N ATOM 2 CA GLY A 1 -9.294 18.879 2.514 1.00 0.00 C ATOM 3 C GLY A 1 -8.356 18.014 3.331 1.00 0.00 C ATOM 4 O GLY A 1 -7.898 16.971 2.865 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.290 19.235 2.228 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.910 17.624 2.604 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.872 18.811 3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.113 18.704 1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.074 19.929 2.706 1.00 0.00 H new ATOM 8 N SER A 2 -8.067 18.447 4.554 1.00 0.00 N ATOM 9 CA SER A 2 -7.173 17.707 5.437 1.00 0.00 C ATOM 10 C SER A 2 -5.959 17.191 4.670 1.00 0.00 C ATOM 11 O SER A 2 -5.527 16.054 4.862 1.00 0.00 O ATOM 12 CB SER A 2 -7.915 16.538 6.086 1.00 0.00 C ATOM 13 OG SER A 2 -8.271 15.561 5.123 1.00 0.00 O ATOM 0 H SER A 2 -8.439 19.307 4.956 1.00 0.00 H new ATOM 0 HA SER A 2 -6.828 18.386 6.217 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.286 16.085 6.853 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.812 16.905 6.585 1.00 0.00 H new ATOM 0 HG SER A 2 -7.948 15.839 4.240 1.00 0.00 H new ATOM 19 N SER A 3 -5.412 18.035 3.801 1.00 0.00 N ATOM 20 CA SER A 3 -4.250 17.664 3.002 1.00 0.00 C ATOM 21 C SER A 3 -3.069 18.582 3.302 1.00 0.00 C ATOM 22 O SER A 3 -2.957 19.672 2.743 1.00 0.00 O ATOM 23 CB SER A 3 -4.590 17.723 1.511 1.00 0.00 C ATOM 24 OG SER A 3 -5.481 16.682 1.150 1.00 0.00 O ATOM 0 H SER A 3 -5.755 18.981 3.632 1.00 0.00 H new ATOM 0 HA SER A 3 -3.971 16.643 3.264 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.038 18.688 1.275 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.676 17.644 0.923 1.00 0.00 H new ATOM 0 HG SER A 3 -6.292 16.742 1.696 1.00 0.00 H new ATOM 30 N GLY A 4 -2.189 18.131 4.191 1.00 0.00 N ATOM 31 CA GLY A 4 -1.027 18.922 4.552 1.00 0.00 C ATOM 32 C GLY A 4 -0.554 18.647 5.965 1.00 0.00 C ATOM 33 O GLY A 4 -0.340 19.573 6.747 1.00 0.00 O ATOM 0 H GLY A 4 -2.260 17.232 4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.217 18.711 3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.267 19.981 4.452 1.00 0.00 H new ATOM 37 N SER A 5 -0.391 17.369 6.295 1.00 0.00 N ATOM 38 CA SER A 5 0.054 16.974 7.626 1.00 0.00 C ATOM 39 C SER A 5 0.807 15.648 7.575 1.00 0.00 C ATOM 40 O SER A 5 0.261 14.627 7.155 1.00 0.00 O ATOM 41 CB SER A 5 -1.141 16.859 8.574 1.00 0.00 C ATOM 42 OG SER A 5 -1.623 18.140 8.944 1.00 0.00 O ATOM 0 H SER A 5 -0.561 16.590 5.659 1.00 0.00 H new ATOM 0 HA SER A 5 0.731 17.743 7.999 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.938 16.292 8.093 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.850 16.305 9.466 1.00 0.00 H new ATOM 0 HG SER A 5 -1.182 18.825 8.399 1.00 0.00 H new ATOM 48 N SER A 6 2.064 15.671 8.006 1.00 0.00 N ATOM 49 CA SER A 6 2.894 14.472 8.006 1.00 0.00 C ATOM 50 C SER A 6 2.184 13.320 8.711 1.00 0.00 C ATOM 51 O SER A 6 2.174 13.240 9.938 1.00 0.00 O ATOM 52 CB SER A 6 4.234 14.754 8.689 1.00 0.00 C ATOM 53 OG SER A 6 4.943 13.552 8.938 1.00 0.00 O ATOM 0 H SER A 6 2.530 16.507 8.360 1.00 0.00 H new ATOM 0 HA SER A 6 3.075 14.185 6.970 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.835 15.411 8.060 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.063 15.280 9.628 1.00 0.00 H new ATOM 0 HG SER A 6 5.796 13.760 9.373 1.00 0.00 H new ATOM 59 N GLY A 7 1.590 12.429 7.923 1.00 0.00 N ATOM 60 CA GLY A 7 0.885 11.293 8.488 1.00 0.00 C ATOM 61 C GLY A 7 1.368 9.972 7.923 1.00 0.00 C ATOM 62 O GLY A 7 2.391 9.917 7.242 1.00 0.00 O ATOM 0 H GLY A 7 1.584 12.473 6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.014 11.291 9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.182 11.399 8.295 1.00 0.00 H new ATOM 66 N ASN A 8 0.630 8.903 8.207 1.00 0.00 N ATOM 67 CA ASN A 8 0.991 7.575 7.724 1.00 0.00 C ATOM 68 C ASN A 8 -0.100 7.011 6.818 1.00 0.00 C ATOM 69 O ASN A 8 -1.197 6.689 7.276 1.00 0.00 O ATOM 70 CB ASN A 8 1.230 6.629 8.902 1.00 0.00 C ATOM 71 CG ASN A 8 0.047 6.573 9.848 1.00 0.00 C ATOM 72 OD1 ASN A 8 -0.970 5.945 9.552 1.00 0.00 O ATOM 73 ND2 ASN A 8 0.174 7.232 10.994 1.00 0.00 N ATOM 0 H ASN A 8 -0.221 8.931 8.769 1.00 0.00 H new ATOM 0 HA ASN A 8 1.910 7.663 7.145 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.437 5.628 8.524 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.115 6.952 9.450 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.590 7.231 11.670 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.035 7.739 11.198 1.00 0.00 H new ATOM 80 N CYS A 9 0.209 6.895 5.531 1.00 0.00 N ATOM 81 CA CYS A 9 -0.744 6.370 4.560 1.00 0.00 C ATOM 82 C CYS A 9 -0.145 5.200 3.787 1.00 0.00 C ATOM 83 O CYS A 9 0.859 5.352 3.092 1.00 0.00 O ATOM 84 CB CYS A 9 -1.174 7.471 3.589 1.00 0.00 C ATOM 85 SG CYS A 9 -2.613 8.419 4.138 1.00 0.00 S ATOM 0 H CYS A 9 1.112 7.157 5.136 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.619 6.013 5.104 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.338 8.154 3.438 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.396 7.021 2.622 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.633 8.135 3.384 1.00 0.00 H new ATOM 91 N ARG A 10 -0.767 4.032 3.916 1.00 0.00 N ATOM 92 CA ARG A 10 -0.293 2.835 3.232 1.00 0.00 C ATOM 93 C ARG A 10 -1.460 2.048 2.643 1.00 0.00 C ATOM 94 O ARG A 10 -2.517 1.926 3.263 1.00 0.00 O ATOM 95 CB ARG A 10 0.497 1.950 4.197 1.00 0.00 C ATOM 96 CG ARG A 10 1.893 2.471 4.497 1.00 0.00 C ATOM 97 CD ARG A 10 2.640 1.548 5.449 1.00 0.00 C ATOM 98 NE ARG A 10 2.107 1.615 6.807 1.00 0.00 N ATOM 99 CZ ARG A 10 2.670 1.012 7.848 1.00 0.00 C ATOM 100 NH1 ARG A 10 3.777 0.300 7.686 1.00 0.00 N ATOM 101 NH2 ARG A 10 2.125 1.120 9.053 1.00 0.00 N ATOM 0 H ARG A 10 -1.600 3.890 4.488 1.00 0.00 H new ATOM 0 HA ARG A 10 0.361 3.147 2.418 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.057 1.861 5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.575 0.948 3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.454 2.568 3.567 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.825 3.467 4.933 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.576 0.523 5.085 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.696 1.817 5.460 1.00 0.00 H new ATOM 0 HE ARG A 10 1.256 2.154 6.965 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.198 0.215 6.761 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.208 -0.162 8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.273 1.666 9.180 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.558 0.657 9.852 1.00 0.00 H new ATOM 115 N LEU A 11 -1.261 1.516 1.442 1.00 0.00 N ATOM 116 CA LEU A 11 -2.297 0.741 0.767 1.00 0.00 C ATOM 117 C LEU A 11 -2.068 -0.755 0.958 1.00 0.00 C ATOM 118 O LEU A 11 -0.941 -1.240 0.852 1.00 0.00 O ATOM 119 CB LEU A 11 -2.324 1.079 -0.724 1.00 0.00 C ATOM 120 CG LEU A 11 -2.896 2.448 -1.092 1.00 0.00 C ATOM 121 CD1 LEU A 11 -3.033 2.582 -2.601 1.00 0.00 C ATOM 122 CD2 LEU A 11 -4.240 2.665 -0.412 1.00 0.00 C ATOM 0 H LEU A 11 -0.392 1.607 0.916 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.259 1.002 1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.306 1.018 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.906 0.314 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.205 3.215 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.442 3.563 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.054 2.472 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.702 1.807 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.632 3.645 -0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.939 1.892 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.113 2.614 0.669 1.00 0.00 H new ATOM 134 N PHE A 12 -3.144 -1.482 1.237 1.00 0.00 N ATOM 135 CA PHE A 12 -3.061 -2.924 1.441 1.00 0.00 C ATOM 136 C PHE A 12 -3.139 -3.667 0.110 1.00 0.00 C ATOM 137 O PHE A 12 -4.218 -3.823 -0.463 1.00 0.00 O ATOM 138 CB PHE A 12 -4.184 -3.395 2.367 1.00 0.00 C ATOM 139 CG PHE A 12 -4.116 -4.859 2.695 1.00 0.00 C ATOM 140 CD1 PHE A 12 -4.680 -5.799 1.847 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.488 -5.295 3.850 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.619 -7.147 2.147 1.00 0.00 C ATOM 143 CE2 PHE A 12 -3.424 -6.642 4.155 1.00 0.00 C ATOM 144 CZ PHE A 12 -3.990 -7.569 3.302 1.00 0.00 C ATOM 0 H PHE A 12 -4.084 -1.097 1.327 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.100 -3.145 1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.145 -2.821 3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.144 -3.180 1.899 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.172 -5.475 0.942 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.043 -4.574 4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.063 -7.870 1.479 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.932 -6.969 5.059 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.941 -8.622 3.538 1.00 0.00 H new ATOM 154 N ILE A 13 -1.988 -4.121 -0.376 1.00 0.00 N ATOM 155 CA ILE A 13 -1.926 -4.847 -1.638 1.00 0.00 C ATOM 156 C ILE A 13 -1.842 -6.351 -1.403 1.00 0.00 C ATOM 157 O ILE A 13 -0.867 -6.849 -0.841 1.00 0.00 O ATOM 158 CB ILE A 13 -0.718 -4.402 -2.484 1.00 0.00 C ATOM 159 CG1 ILE A 13 -0.559 -2.882 -2.426 1.00 0.00 C ATOM 160 CG2 ILE A 13 -0.879 -4.870 -3.923 1.00 0.00 C ATOM 161 CD1 ILE A 13 -1.732 -2.129 -3.014 1.00 0.00 C ATOM 0 H ILE A 13 -1.087 -3.999 0.085 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.843 -4.617 -2.180 1.00 0.00 H new ATOM 0 HB ILE A 13 0.183 -4.858 -2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.426 -2.578 -1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.348 -2.599 -2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.018 -4.548 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.948 -5.958 -3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.787 -4.440 -4.346 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.551 -1.057 -2.939 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.853 -2.404 -4.062 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -2.639 -2.383 -2.465 1.00 0.00 H new ATOM 173 N GLY A 14 -2.871 -7.071 -1.839 1.00 0.00 N ATOM 174 CA GLY A 14 -2.894 -8.512 -1.669 1.00 0.00 C ATOM 175 C GLY A 14 -3.005 -9.250 -2.988 1.00 0.00 C ATOM 176 O GLY A 14 -3.687 -8.796 -3.906 1.00 0.00 O ATOM 0 H GLY A 14 -3.689 -6.682 -2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.987 -8.828 -1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.734 -8.786 -1.031 1.00 0.00 H new ATOM 180 N GLY A 15 -2.332 -10.393 -3.084 1.00 0.00 N ATOM 181 CA GLY A 15 -2.371 -11.176 -4.305 1.00 0.00 C ATOM 182 C GLY A 15 -1.187 -10.897 -5.211 1.00 0.00 C ATOM 183 O GLY A 15 -1.350 -10.716 -6.418 1.00 0.00 O ATOM 0 H GLY A 15 -1.761 -10.790 -2.338 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.390 -12.236 -4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.295 -10.960 -4.842 1.00 0.00 H new ATOM 187 N ILE A 16 0.006 -10.861 -4.627 1.00 0.00 N ATOM 188 CA ILE A 16 1.221 -10.601 -5.390 1.00 0.00 C ATOM 189 C ILE A 16 2.214 -11.750 -5.249 1.00 0.00 C ATOM 190 O ILE A 16 2.253 -12.449 -4.237 1.00 0.00 O ATOM 191 CB ILE A 16 1.898 -9.293 -4.941 1.00 0.00 C ATOM 192 CG1 ILE A 16 2.180 -9.329 -3.438 1.00 0.00 C ATOM 193 CG2 ILE A 16 1.027 -8.097 -5.294 1.00 0.00 C ATOM 194 CD1 ILE A 16 3.312 -8.420 -3.013 1.00 0.00 C ATOM 0 H ILE A 16 0.157 -11.008 -3.629 1.00 0.00 H new ATOM 0 HA ILE A 16 0.925 -10.506 -6.435 1.00 0.00 H new ATOM 0 HB ILE A 16 2.847 -9.194 -5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.275 -9.045 -2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.417 -10.352 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.519 -7.180 -4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.873 -8.065 -6.373 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.063 -8.188 -4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.455 -8.497 -1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.228 -8.717 -3.523 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.069 -7.390 -3.274 1.00 0.00 H new ATOM 206 N PRO A 17 3.039 -11.949 -6.288 1.00 0.00 N ATOM 207 CA PRO A 17 4.050 -13.010 -6.304 1.00 0.00 C ATOM 208 C PRO A 17 5.188 -12.741 -5.325 1.00 0.00 C ATOM 209 O PRO A 17 5.766 -11.653 -5.312 1.00 0.00 O ATOM 210 CB PRO A 17 4.567 -12.987 -7.744 1.00 0.00 C ATOM 211 CG PRO A 17 4.309 -11.598 -8.217 1.00 0.00 C ATOM 212 CD PRO A 17 3.049 -11.153 -7.527 1.00 0.00 C ATOM 0 HA PRO A 17 3.636 -13.972 -6.001 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.629 -13.229 -7.787 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.048 -13.719 -8.363 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.142 -10.940 -7.970 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.191 -11.570 -9.300 1.00 0.00 H new ATOM 0 HD2 PRO A 17 3.062 -10.083 -7.317 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.167 -11.348 -8.137 1.00 0.00 H new ATOM 220 N LYS A 18 5.507 -13.738 -4.507 1.00 0.00 N ATOM 221 CA LYS A 18 6.578 -13.610 -3.525 1.00 0.00 C ATOM 222 C LYS A 18 7.937 -13.521 -4.212 1.00 0.00 C ATOM 223 O LYS A 18 8.772 -12.691 -3.850 1.00 0.00 O ATOM 224 CB LYS A 18 6.559 -14.799 -2.561 1.00 0.00 C ATOM 225 CG LYS A 18 5.178 -15.400 -2.365 1.00 0.00 C ATOM 226 CD LYS A 18 4.926 -16.544 -3.333 1.00 0.00 C ATOM 227 CE LYS A 18 3.453 -16.650 -3.700 1.00 0.00 C ATOM 228 NZ LYS A 18 3.147 -17.925 -4.406 1.00 0.00 N ATOM 0 H LYS A 18 5.039 -14.644 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 18 6.414 -12.691 -2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.232 -15.570 -2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.947 -14.479 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.079 -15.760 -1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.421 -14.629 -2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.517 -16.394 -4.236 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.259 -17.481 -2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.848 -16.581 -2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.175 -15.808 -4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.134 -17.959 -4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.705 -17.980 -5.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.388 -18.729 -3.791 1.00 0.00 H new ATOM 242 N MET A 19 8.152 -14.379 -5.204 1.00 0.00 N ATOM 243 CA MET A 19 9.410 -14.394 -5.942 1.00 0.00 C ATOM 244 C MET A 19 9.970 -12.983 -6.089 1.00 0.00 C ATOM 245 O MET A 19 11.180 -12.772 -5.998 1.00 0.00 O ATOM 246 CB MET A 19 9.208 -15.021 -7.322 1.00 0.00 C ATOM 247 CG MET A 19 8.080 -14.387 -8.119 1.00 0.00 C ATOM 248 SD MET A 19 7.922 -15.083 -9.775 1.00 0.00 S ATOM 249 CE MET A 19 7.387 -16.749 -9.393 1.00 0.00 C ATOM 0 H MET A 19 7.472 -15.073 -5.515 1.00 0.00 H new ATOM 0 HA MET A 19 10.126 -14.993 -5.380 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.135 -14.936 -7.889 1.00 0.00 H new ATOM 0 HB3 MET A 19 9.004 -16.085 -7.202 1.00 0.00 H new ATOM 0 HG2 MET A 19 7.141 -14.521 -7.582 1.00 0.00 H new ATOM 0 HG3 MET A 19 8.253 -13.314 -8.195 1.00 0.00 H new ATOM 0 HE1 MET A 19 6.977 -17.214 -10.289 1.00 0.00 H new ATOM 0 HE2 MET A 19 8.237 -17.332 -9.038 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.621 -16.716 -8.618 1.00 0.00 H new ATOM 259 N LYS A 20 9.084 -12.020 -6.317 1.00 0.00 N ATOM 260 CA LYS A 20 9.490 -10.628 -6.476 1.00 0.00 C ATOM 261 C LYS A 20 10.096 -10.087 -5.185 1.00 0.00 C ATOM 262 O LYS A 20 10.242 -10.815 -4.203 1.00 0.00 O ATOM 263 CB LYS A 20 8.292 -9.770 -6.889 1.00 0.00 C ATOM 264 CG LYS A 20 7.502 -10.346 -8.052 1.00 0.00 C ATOM 265 CD LYS A 20 8.368 -10.501 -9.291 1.00 0.00 C ATOM 266 CE LYS A 20 7.653 -11.294 -10.374 1.00 0.00 C ATOM 267 NZ LYS A 20 8.612 -11.986 -11.279 1.00 0.00 N ATOM 0 H LYS A 20 8.079 -12.178 -6.396 1.00 0.00 H new ATOM 0 HA LYS A 20 10.248 -10.584 -7.258 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.628 -9.652 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 20 8.645 -8.774 -7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.092 -11.316 -7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.657 -9.696 -8.277 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.635 -9.517 -9.675 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.299 -11.003 -9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.995 -12.030 -9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.022 -10.624 -10.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.307 -11.866 -12.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.560 -11.577 -11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.640 -12.999 -11.046 1.00 0.00 H new ATOM 281 N LYS A 21 10.446 -8.805 -5.193 1.00 0.00 N ATOM 282 CA LYS A 21 11.033 -8.165 -4.022 1.00 0.00 C ATOM 283 C LYS A 21 10.492 -6.750 -3.847 1.00 0.00 C ATOM 284 O LYS A 21 9.976 -6.151 -4.791 1.00 0.00 O ATOM 285 CB LYS A 21 12.558 -8.127 -4.148 1.00 0.00 C ATOM 286 CG LYS A 21 13.205 -9.501 -4.118 1.00 0.00 C ATOM 287 CD LYS A 21 14.566 -9.491 -4.793 1.00 0.00 C ATOM 288 CE LYS A 21 14.440 -9.324 -6.299 1.00 0.00 C ATOM 289 NZ LYS A 21 15.576 -9.957 -7.024 1.00 0.00 N ATOM 0 H LYS A 21 10.333 -8.189 -5.998 1.00 0.00 H new ATOM 0 HA LYS A 21 10.761 -8.750 -3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.825 -7.629 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.966 -7.524 -3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.313 -9.831 -3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.556 -10.221 -4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.170 -8.680 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.090 -10.421 -4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.502 -9.766 -6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.399 -8.263 -6.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.453 -9.821 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.469 -9.518 -6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.601 -10.974 -6.810 1.00 0.00 H new ATOM 303 N ARG A 22 10.613 -6.220 -2.634 1.00 0.00 N ATOM 304 CA ARG A 22 10.136 -4.875 -2.336 1.00 0.00 C ATOM 305 C ARG A 22 10.614 -3.883 -3.392 1.00 0.00 C ATOM 306 O ARG A 22 9.846 -3.043 -3.860 1.00 0.00 O ATOM 307 CB ARG A 22 10.617 -4.436 -0.952 1.00 0.00 C ATOM 308 CG ARG A 22 12.119 -4.216 -0.871 1.00 0.00 C ATOM 309 CD ARG A 22 12.586 -4.090 0.571 1.00 0.00 C ATOM 310 NE ARG A 22 12.853 -5.392 1.176 1.00 0.00 N ATOM 311 CZ ARG A 22 13.949 -6.103 0.936 1.00 0.00 C ATOM 312 NH1 ARG A 22 14.876 -5.640 0.109 1.00 0.00 N ATOM 313 NH2 ARG A 22 14.120 -7.280 1.524 1.00 0.00 N ATOM 0 H ARG A 22 11.037 -6.702 -1.842 1.00 0.00 H new ATOM 0 HA ARG A 22 9.046 -4.892 -2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.108 -3.513 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.329 -5.191 -0.220 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.636 -5.047 -1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.386 -3.314 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.489 -3.481 0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.827 -3.569 1.154 1.00 0.00 H new ATOM 0 HE ARG A 22 12.160 -5.776 1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 22 14.749 -4.735 -0.345 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.717 -6.188 -0.073 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.409 -7.640 2.161 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.962 -7.825 1.339 1.00 0.00 H new ATOM 327 N GLU A 23 11.887 -3.985 -3.760 1.00 0.00 N ATOM 328 CA GLU A 23 12.467 -3.095 -4.759 1.00 0.00 C ATOM 329 C GLU A 23 11.707 -3.190 -6.078 1.00 0.00 C ATOM 330 O GLU A 23 11.546 -2.196 -6.786 1.00 0.00 O ATOM 331 CB GLU A 23 13.942 -3.435 -4.982 1.00 0.00 C ATOM 332 CG GLU A 23 14.186 -4.896 -5.322 1.00 0.00 C ATOM 333 CD GLU A 23 15.639 -5.185 -5.645 1.00 0.00 C ATOM 334 OE1 GLU A 23 16.250 -4.390 -6.390 1.00 0.00 O ATOM 335 OE2 GLU A 23 16.165 -6.206 -5.154 1.00 0.00 O ATOM 0 H GLU A 23 12.536 -4.675 -3.382 1.00 0.00 H new ATOM 0 HA GLU A 23 12.389 -2.073 -4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.331 -2.813 -5.788 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.504 -3.181 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.874 -5.517 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.566 -5.175 -6.174 1.00 0.00 H new ATOM 342 N GLU A 24 11.242 -4.392 -6.402 1.00 0.00 N ATOM 343 CA GLU A 24 10.500 -4.617 -7.637 1.00 0.00 C ATOM 344 C GLU A 24 9.066 -4.112 -7.510 1.00 0.00 C ATOM 345 O GLU A 24 8.595 -3.333 -8.339 1.00 0.00 O ATOM 346 CB GLU A 24 10.499 -6.105 -7.995 1.00 0.00 C ATOM 347 CG GLU A 24 11.885 -6.666 -8.266 1.00 0.00 C ATOM 348 CD GLU A 24 12.479 -6.153 -9.563 1.00 0.00 C ATOM 349 OE1 GLU A 24 12.706 -4.930 -9.670 1.00 0.00 O ATOM 350 OE2 GLU A 24 12.716 -6.976 -10.473 1.00 0.00 O ATOM 0 H GLU A 24 11.366 -5.225 -5.827 1.00 0.00 H new ATOM 0 HA GLU A 24 10.994 -4.060 -8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.042 -6.666 -7.180 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.876 -6.258 -8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.546 -6.405 -7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.832 -7.754 -8.300 1.00 0.00 H new ATOM 357 N ILE A 25 8.378 -4.562 -6.466 1.00 0.00 N ATOM 358 CA ILE A 25 6.998 -4.156 -6.229 1.00 0.00 C ATOM 359 C ILE A 25 6.847 -2.641 -6.319 1.00 0.00 C ATOM 360 O ILE A 25 5.948 -2.134 -6.992 1.00 0.00 O ATOM 361 CB ILE A 25 6.501 -4.629 -4.851 1.00 0.00 C ATOM 362 CG1 ILE A 25 6.628 -6.149 -4.732 1.00 0.00 C ATOM 363 CG2 ILE A 25 5.060 -4.194 -4.629 1.00 0.00 C ATOM 364 CD1 ILE A 25 6.752 -6.636 -3.305 1.00 0.00 C ATOM 0 H ILE A 25 8.753 -5.208 -5.771 1.00 0.00 H new ATOM 0 HA ILE A 25 6.394 -4.626 -7.005 1.00 0.00 H new ATOM 0 HB ILE A 25 7.121 -4.170 -4.081 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.757 -6.615 -5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.501 -6.478 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.723 -4.536 -3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.997 -3.107 -4.675 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.426 -4.627 -5.403 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.838 -7.723 -3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.639 -6.199 -2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.868 -6.338 -2.741 1.00 0.00 H new ATOM 376 N LEU A 26 7.734 -1.923 -5.639 1.00 0.00 N ATOM 377 CA LEU A 26 7.702 -0.464 -5.644 1.00 0.00 C ATOM 378 C LEU A 26 7.654 0.075 -7.070 1.00 0.00 C ATOM 379 O LEU A 26 6.713 0.772 -7.448 1.00 0.00 O ATOM 380 CB LEU A 26 8.925 0.095 -4.915 1.00 0.00 C ATOM 381 CG LEU A 26 9.215 1.580 -5.132 1.00 0.00 C ATOM 382 CD1 LEU A 26 8.504 2.421 -4.082 1.00 0.00 C ATOM 383 CD2 LEU A 26 10.713 1.842 -5.102 1.00 0.00 C ATOM 0 H LEU A 26 8.484 -2.327 -5.077 1.00 0.00 H new ATOM 0 HA LEU A 26 6.799 -0.143 -5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.796 -0.077 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.800 -0.475 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 26 8.837 1.864 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.722 3.475 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.429 2.257 -4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.852 2.134 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.900 2.904 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.116 1.541 -4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.199 1.268 -5.891 1.00 0.00 H new ATOM 395 N GLU A 27 8.674 -0.254 -7.856 1.00 0.00 N ATOM 396 CA GLU A 27 8.747 0.197 -9.240 1.00 0.00 C ATOM 397 C GLU A 27 7.435 -0.073 -9.970 1.00 0.00 C ATOM 398 O GLU A 27 6.941 0.775 -10.713 1.00 0.00 O ATOM 399 CB GLU A 27 9.900 -0.499 -9.967 1.00 0.00 C ATOM 400 CG GLU A 27 10.526 0.344 -11.065 1.00 0.00 C ATOM 401 CD GLU A 27 11.298 1.531 -10.520 1.00 0.00 C ATOM 402 OE1 GLU A 27 12.504 1.376 -10.237 1.00 0.00 O ATOM 403 OE2 GLU A 27 10.694 2.615 -10.378 1.00 0.00 O ATOM 0 H GLU A 27 9.461 -0.831 -7.558 1.00 0.00 H new ATOM 0 HA GLU A 27 8.926 1.272 -9.235 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.669 -0.764 -9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.536 -1.431 -10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.195 -0.278 -11.659 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.744 0.701 -11.735 1.00 0.00 H new ATOM 410 N GLU A 28 6.877 -1.259 -9.753 1.00 0.00 N ATOM 411 CA GLU A 28 5.622 -1.641 -10.391 1.00 0.00 C ATOM 412 C GLU A 28 4.473 -0.766 -9.899 1.00 0.00 C ATOM 413 O GLU A 28 3.461 -0.610 -10.584 1.00 0.00 O ATOM 414 CB GLU A 28 5.311 -3.114 -10.114 1.00 0.00 C ATOM 415 CG GLU A 28 5.927 -4.066 -11.125 1.00 0.00 C ATOM 416 CD GLU A 28 5.562 -3.716 -12.555 1.00 0.00 C ATOM 417 OE1 GLU A 28 4.353 -3.656 -12.861 1.00 0.00 O ATOM 418 OE2 GLU A 28 6.486 -3.502 -13.367 1.00 0.00 O ATOM 0 H GLU A 28 7.273 -1.972 -9.141 1.00 0.00 H new ATOM 0 HA GLU A 28 5.732 -1.496 -11.466 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.671 -3.372 -9.118 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.230 -3.254 -10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.012 -4.052 -11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.598 -5.082 -10.909 1.00 0.00 H new ATOM 425 N ILE A 29 4.637 -0.199 -8.709 1.00 0.00 N ATOM 426 CA ILE A 29 3.614 0.661 -8.126 1.00 0.00 C ATOM 427 C ILE A 29 3.770 2.101 -8.602 1.00 0.00 C ATOM 428 O ILE A 29 2.785 2.780 -8.892 1.00 0.00 O ATOM 429 CB ILE A 29 3.665 0.632 -6.587 1.00 0.00 C ATOM 430 CG1 ILE A 29 3.219 -0.736 -6.066 1.00 0.00 C ATOM 431 CG2 ILE A 29 2.794 1.736 -6.007 1.00 0.00 C ATOM 432 CD1 ILE A 29 1.913 -1.212 -6.662 1.00 0.00 C ATOM 0 H ILE A 29 5.468 -0.319 -8.130 1.00 0.00 H new ATOM 0 HA ILE A 29 2.650 0.274 -8.457 1.00 0.00 H new ATOM 0 HB ILE A 29 4.693 0.803 -6.269 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.996 -1.469 -6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.118 -0.688 -4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.841 1.702 -4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.153 2.704 -6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.763 1.594 -6.331 1.00 0.00 H new ATOM 0 HD11 ILE A 29 1.658 -2.188 -6.248 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.123 -0.499 -6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.015 -1.293 -7.744 1.00 0.00 H new ATOM 444 N ALA A 30 5.014 2.561 -8.681 1.00 0.00 N ATOM 445 CA ALA A 30 5.300 3.920 -9.125 1.00 0.00 C ATOM 446 C ALA A 30 4.703 4.183 -10.504 1.00 0.00 C ATOM 447 O ALA A 30 4.627 5.328 -10.950 1.00 0.00 O ATOM 448 CB ALA A 30 6.801 4.165 -9.142 1.00 0.00 C ATOM 0 H ALA A 30 5.840 2.012 -8.443 1.00 0.00 H new ATOM 0 HA ALA A 30 4.839 4.611 -8.420 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.000 5.184 -9.475 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.204 4.027 -8.139 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.277 3.461 -9.824 1.00 0.00 H new ATOM 454 N LYS A 31 4.283 3.116 -11.175 1.00 0.00 N ATOM 455 CA LYS A 31 3.692 3.231 -12.503 1.00 0.00 C ATOM 456 C LYS A 31 2.179 3.051 -12.443 1.00 0.00 C ATOM 457 O LYS A 31 1.425 3.863 -12.979 1.00 0.00 O ATOM 458 CB LYS A 31 4.303 2.193 -13.447 1.00 0.00 C ATOM 459 CG LYS A 31 4.509 0.833 -12.804 1.00 0.00 C ATOM 460 CD LYS A 31 5.196 -0.135 -13.752 1.00 0.00 C ATOM 461 CE LYS A 31 6.704 0.069 -13.760 1.00 0.00 C ATOM 462 NZ LYS A 31 7.313 -0.344 -15.055 1.00 0.00 N ATOM 0 H LYS A 31 4.341 2.161 -10.821 1.00 0.00 H new ATOM 0 HA LYS A 31 3.906 4.230 -12.883 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.656 2.080 -14.317 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.262 2.563 -13.809 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.107 0.944 -11.900 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.546 0.424 -12.500 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.968 -1.159 -13.457 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.804 0.001 -14.760 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.929 1.119 -13.571 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.152 -0.504 -12.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.341 -0.190 -15.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.120 -1.352 -15.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.904 0.221 -15.827 1.00 0.00 H new ATOM 476 N VAL A 32 1.740 1.982 -11.786 1.00 0.00 N ATOM 477 CA VAL A 32 0.316 1.697 -11.654 1.00 0.00 C ATOM 478 C VAL A 32 -0.374 2.737 -10.780 1.00 0.00 C ATOM 479 O VAL A 32 -1.579 2.963 -10.896 1.00 0.00 O ATOM 480 CB VAL A 32 0.077 0.298 -11.054 1.00 0.00 C ATOM 481 CG1 VAL A 32 0.857 -0.755 -11.827 1.00 0.00 C ATOM 482 CG2 VAL A 32 0.456 0.279 -9.581 1.00 0.00 C ATOM 0 H VAL A 32 2.350 1.299 -11.337 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.108 1.731 -12.658 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.984 0.063 -11.136 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.676 -1.736 -11.389 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.533 -0.757 -12.868 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.922 -0.527 -11.779 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.281 -0.717 -9.173 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.510 0.535 -9.473 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.151 1.005 -9.040 1.00 0.00 H new ATOM 492 N THR A 33 0.399 3.371 -9.902 1.00 0.00 N ATOM 493 CA THR A 33 -0.138 4.389 -9.007 1.00 0.00 C ATOM 494 C THR A 33 0.880 5.496 -8.761 1.00 0.00 C ATOM 495 O THR A 33 1.932 5.263 -8.166 1.00 0.00 O ATOM 496 CB THR A 33 -0.557 3.782 -7.655 1.00 0.00 C ATOM 497 OG1 THR A 33 0.585 3.228 -6.991 1.00 0.00 O ATOM 498 CG2 THR A 33 -1.610 2.701 -7.849 1.00 0.00 C ATOM 0 H THR A 33 1.398 3.197 -9.792 1.00 0.00 H new ATOM 0 HA THR A 33 -1.017 4.810 -9.496 1.00 0.00 H new ATOM 0 HB THR A 33 -0.983 4.577 -7.043 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.398 3.672 -7.313 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.890 2.287 -6.880 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.490 3.132 -8.327 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.206 1.908 -8.479 1.00 0.00 H new ATOM 506 N GLU A 34 0.560 6.701 -9.221 1.00 0.00 N ATOM 507 CA GLU A 34 1.448 7.845 -9.049 1.00 0.00 C ATOM 508 C GLU A 34 1.207 8.525 -7.705 1.00 0.00 C ATOM 509 O GLU A 34 0.074 8.856 -7.359 1.00 0.00 O ATOM 510 CB GLU A 34 1.246 8.850 -10.185 1.00 0.00 C ATOM 511 CG GLU A 34 1.934 8.452 -11.480 1.00 0.00 C ATOM 512 CD GLU A 34 2.030 9.599 -12.467 1.00 0.00 C ATOM 513 OE1 GLU A 34 0.975 10.026 -12.983 1.00 0.00 O ATOM 514 OE2 GLU A 34 3.157 10.070 -12.724 1.00 0.00 O ATOM 0 H GLU A 34 -0.307 6.911 -9.715 1.00 0.00 H new ATOM 0 HA GLU A 34 2.475 7.481 -9.073 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.178 8.965 -10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.621 9.823 -9.869 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.936 8.085 -11.257 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.388 7.628 -11.939 1.00 0.00 H new ATOM 521 N GLY A 35 2.282 8.728 -6.950 1.00 0.00 N ATOM 522 CA GLY A 35 2.167 9.367 -5.651 1.00 0.00 C ATOM 523 C GLY A 35 2.679 8.489 -4.526 1.00 0.00 C ATOM 524 O GLY A 35 2.426 8.761 -3.353 1.00 0.00 O ATOM 0 H GLY A 35 3.231 8.462 -7.214 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.725 10.304 -5.659 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.123 9.619 -5.465 1.00 0.00 H new ATOM 528 N VAL A 36 3.400 7.431 -4.884 1.00 0.00 N ATOM 529 CA VAL A 36 3.949 6.510 -3.896 1.00 0.00 C ATOM 530 C VAL A 36 5.290 7.006 -3.367 1.00 0.00 C ATOM 531 O VAL A 36 5.988 7.770 -4.035 1.00 0.00 O ATOM 532 CB VAL A 36 4.132 5.099 -4.486 1.00 0.00 C ATOM 533 CG1 VAL A 36 2.967 4.746 -5.398 1.00 0.00 C ATOM 534 CG2 VAL A 36 5.453 5.001 -5.232 1.00 0.00 C ATOM 0 H VAL A 36 3.617 7.191 -5.851 1.00 0.00 H new ATOM 0 HA VAL A 36 3.234 6.463 -3.075 1.00 0.00 H new ATOM 0 HB VAL A 36 4.150 4.381 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.114 3.746 -5.805 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.038 4.773 -4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.913 5.466 -6.215 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.566 3.997 -5.642 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.467 5.728 -6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.275 5.207 -4.546 1.00 0.00 H new ATOM 544 N LEU A 37 5.644 6.566 -2.165 1.00 0.00 N ATOM 545 CA LEU A 37 6.903 6.965 -1.545 1.00 0.00 C ATOM 546 C LEU A 37 7.831 5.766 -1.377 1.00 0.00 C ATOM 547 O LEU A 37 9.004 5.818 -1.747 1.00 0.00 O ATOM 548 CB LEU A 37 6.642 7.617 -0.187 1.00 0.00 C ATOM 549 CG LEU A 37 7.649 8.680 0.252 1.00 0.00 C ATOM 550 CD1 LEU A 37 7.651 9.848 -0.722 1.00 0.00 C ATOM 551 CD2 LEU A 37 7.337 9.160 1.663 1.00 0.00 C ATOM 0 H LEU A 37 5.078 5.933 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 37 7.389 7.688 -2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.651 8.071 -0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.617 6.834 0.571 1.00 0.00 H new ATOM 0 HG LEU A 37 8.643 8.233 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.374 10.595 -0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.923 9.493 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.657 10.295 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.064 9.916 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.336 9.590 1.688 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.388 8.318 2.353 1.00 0.00 H new ATOM 563 N ASP A 38 7.297 4.686 -0.817 1.00 0.00 N ATOM 564 CA ASP A 38 8.075 3.472 -0.602 1.00 0.00 C ATOM 565 C ASP A 38 7.160 2.265 -0.415 1.00 0.00 C ATOM 566 O ASP A 38 5.979 2.412 -0.103 1.00 0.00 O ATOM 567 CB ASP A 38 8.984 3.632 0.617 1.00 0.00 C ATOM 568 CG ASP A 38 10.194 2.721 0.562 1.00 0.00 C ATOM 569 OD1 ASP A 38 10.877 2.703 -0.485 1.00 0.00 O ATOM 570 OD2 ASP A 38 10.460 2.026 1.564 1.00 0.00 O ATOM 0 H ASP A 38 6.328 4.627 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 38 8.691 3.304 -1.485 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.316 4.668 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.414 3.420 1.522 1.00 0.00 H new ATOM 575 N VAL A 39 7.715 1.073 -0.609 1.00 0.00 N ATOM 576 CA VAL A 39 6.949 -0.159 -0.462 1.00 0.00 C ATOM 577 C VAL A 39 7.593 -1.087 0.562 1.00 0.00 C ATOM 578 O VAL A 39 8.801 -1.323 0.528 1.00 0.00 O ATOM 579 CB VAL A 39 6.821 -0.904 -1.804 1.00 0.00 C ATOM 580 CG1 VAL A 39 6.413 -2.352 -1.575 1.00 0.00 C ATOM 581 CG2 VAL A 39 5.825 -0.199 -2.712 1.00 0.00 C ATOM 0 H VAL A 39 8.692 0.934 -0.868 1.00 0.00 H new ATOM 0 HA VAL A 39 5.955 0.125 -0.117 1.00 0.00 H new ATOM 0 HB VAL A 39 7.794 -0.899 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.328 -2.862 -2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.167 -2.850 -0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.452 -2.382 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.747 -0.739 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.849 -0.171 -2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.164 0.819 -2.904 1.00 0.00 H new ATOM 591 N ILE A 40 6.778 -1.611 1.472 1.00 0.00 N ATOM 592 CA ILE A 40 7.268 -2.515 2.505 1.00 0.00 C ATOM 593 C ILE A 40 6.787 -3.941 2.261 1.00 0.00 C ATOM 594 O ILE A 40 5.758 -4.161 1.623 1.00 0.00 O ATOM 595 CB ILE A 40 6.814 -2.066 3.907 1.00 0.00 C ATOM 596 CG1 ILE A 40 7.207 -0.607 4.151 1.00 0.00 C ATOM 597 CG2 ILE A 40 7.418 -2.967 4.973 1.00 0.00 C ATOM 598 CD1 ILE A 40 6.182 0.386 3.649 1.00 0.00 C ATOM 0 H ILE A 40 5.776 -1.425 1.515 1.00 0.00 H new ATOM 0 HA ILE A 40 8.357 -2.488 2.458 1.00 0.00 H new ATOM 0 HB ILE A 40 5.728 -2.145 3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.357 -0.453 5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.162 -0.410 3.663 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.088 -2.637 5.958 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.094 -3.994 4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.505 -2.916 4.919 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.526 1.400 3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.049 0.260 2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.232 0.215 4.155 1.00 0.00 H new ATOM 610 N VAL A 41 7.540 -4.909 2.774 1.00 0.00 N ATOM 611 CA VAL A 41 7.190 -6.316 2.614 1.00 0.00 C ATOM 612 C VAL A 41 7.127 -7.023 3.963 1.00 0.00 C ATOM 613 O VAL A 41 8.107 -7.051 4.708 1.00 0.00 O ATOM 614 CB VAL A 41 8.201 -7.047 1.711 1.00 0.00 C ATOM 615 CG1 VAL A 41 9.625 -6.767 2.167 1.00 0.00 C ATOM 616 CG2 VAL A 41 7.920 -8.542 1.698 1.00 0.00 C ATOM 0 H VAL A 41 8.396 -4.745 3.304 1.00 0.00 H new ATOM 0 HA VAL A 41 6.207 -6.346 2.144 1.00 0.00 H new ATOM 0 HB VAL A 41 8.091 -6.671 0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 41 10.325 -7.292 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 41 9.819 -5.695 2.119 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.753 -7.113 3.193 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.644 -9.043 1.055 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.001 -8.936 2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.914 -8.720 1.319 1.00 0.00 H new ATOM 626 N TYR A 42 5.968 -7.594 4.272 1.00 0.00 N ATOM 627 CA TYR A 42 5.776 -8.301 5.533 1.00 0.00 C ATOM 628 C TYR A 42 5.114 -9.656 5.303 1.00 0.00 C ATOM 629 O TYR A 42 4.328 -9.825 4.371 1.00 0.00 O ATOM 630 CB TYR A 42 4.926 -7.461 6.488 1.00 0.00 C ATOM 631 CG TYR A 42 5.659 -6.269 7.061 1.00 0.00 C ATOM 632 CD1 TYR A 42 6.920 -6.411 7.628 1.00 0.00 C ATOM 633 CD2 TYR A 42 5.090 -5.002 7.038 1.00 0.00 C ATOM 634 CE1 TYR A 42 7.593 -5.325 8.154 1.00 0.00 C ATOM 635 CE2 TYR A 42 5.757 -3.910 7.561 1.00 0.00 C ATOM 636 CZ TYR A 42 7.008 -4.077 8.117 1.00 0.00 C ATOM 637 OH TYR A 42 7.674 -2.992 8.640 1.00 0.00 O ATOM 0 H TYR A 42 5.147 -7.581 3.667 1.00 0.00 H new ATOM 0 HA TYR A 42 6.756 -8.467 5.980 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.039 -7.112 5.960 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.582 -8.093 7.306 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.382 -7.387 7.658 1.00 0.00 H new ATOM 0 HD2 TYR A 42 4.110 -4.868 6.604 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.572 -5.453 8.592 1.00 0.00 H new ATOM 0 HE2 TYR A 42 5.301 -2.931 7.534 1.00 0.00 H new ATOM 0 HH TYR A 42 7.124 -2.188 8.533 1.00 0.00 H new ATOM 647 N ALA A 43 5.437 -10.618 6.160 1.00 0.00 N ATOM 648 CA ALA A 43 4.872 -11.958 6.054 1.00 0.00 C ATOM 649 C ALA A 43 5.296 -12.827 7.233 1.00 0.00 C ATOM 650 O ALA A 43 6.153 -12.439 8.026 1.00 0.00 O ATOM 651 CB ALA A 43 5.291 -12.604 4.741 1.00 0.00 C ATOM 0 H ALA A 43 6.087 -10.495 6.936 1.00 0.00 H new ATOM 0 HA ALA A 43 3.786 -11.871 6.073 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.862 -13.604 4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.933 -12.000 3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.378 -12.672 4.699 1.00 0.00 H new ATOM 657 N SER A 44 4.690 -14.005 7.341 1.00 0.00 N ATOM 658 CA SER A 44 5.001 -14.928 8.426 1.00 0.00 C ATOM 659 C SER A 44 6.492 -14.901 8.751 1.00 0.00 C ATOM 660 O SER A 44 6.886 -14.984 9.914 1.00 0.00 O ATOM 661 CB SER A 44 4.575 -16.349 8.053 1.00 0.00 C ATOM 662 OG SER A 44 5.104 -17.296 8.965 1.00 0.00 O ATOM 0 H SER A 44 3.981 -14.343 6.690 1.00 0.00 H new ATOM 0 HA SER A 44 4.448 -14.611 9.310 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.487 -16.416 8.045 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.916 -16.581 7.044 1.00 0.00 H new ATOM 0 HG SER A 44 4.816 -18.196 8.706 1.00 0.00 H new ATOM 668 N ALA A 45 7.315 -14.785 7.714 1.00 0.00 N ATOM 669 CA ALA A 45 8.762 -14.745 7.888 1.00 0.00 C ATOM 670 C ALA A 45 9.384 -13.629 7.056 1.00 0.00 C ATOM 671 O ALA A 45 8.700 -12.971 6.272 1.00 0.00 O ATOM 672 CB ALA A 45 9.375 -16.087 7.519 1.00 0.00 C ATOM 0 H ALA A 45 7.005 -14.717 6.745 1.00 0.00 H new ATOM 0 HA ALA A 45 8.972 -14.539 8.938 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.456 -16.043 7.654 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.961 -16.865 8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.148 -16.317 6.478 1.00 0.00 H new ATOM 678 N ALA A 46 10.685 -13.422 7.231 1.00 0.00 N ATOM 679 CA ALA A 46 11.400 -12.386 6.494 1.00 0.00 C ATOM 680 C ALA A 46 11.257 -12.586 4.989 1.00 0.00 C ATOM 681 O ALA A 46 12.129 -13.168 4.345 1.00 0.00 O ATOM 682 CB ALA A 46 12.869 -12.376 6.890 1.00 0.00 C ATOM 0 H ALA A 46 11.266 -13.958 7.876 1.00 0.00 H new ATOM 0 HA ALA A 46 10.960 -11.422 6.750 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.391 -11.598 6.333 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.957 -12.178 7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 46 13.314 -13.345 6.663 1.00 0.00 H new ATOM 688 N ASP A 47 10.152 -12.100 4.435 1.00 0.00 N ATOM 689 CA ASP A 47 9.895 -12.224 3.005 1.00 0.00 C ATOM 690 C ASP A 47 10.375 -13.574 2.482 1.00 0.00 C ATOM 691 O ASP A 47 11.009 -13.655 1.429 1.00 0.00 O ATOM 692 CB ASP A 47 10.584 -11.093 2.241 1.00 0.00 C ATOM 693 CG ASP A 47 10.701 -9.825 3.064 1.00 0.00 C ATOM 694 OD1 ASP A 47 9.810 -9.579 3.904 1.00 0.00 O ATOM 695 OD2 ASP A 47 11.683 -9.080 2.869 1.00 0.00 O ATOM 0 H ASP A 47 9.420 -11.616 4.955 1.00 0.00 H new ATOM 0 HA ASP A 47 8.819 -12.155 2.847 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.579 -11.418 1.936 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.025 -10.881 1.330 1.00 0.00 H new ATOM 700 N LYS A 48 10.071 -14.633 3.225 1.00 0.00 N ATOM 701 CA LYS A 48 10.470 -15.981 2.837 1.00 0.00 C ATOM 702 C LYS A 48 9.367 -16.667 2.038 1.00 0.00 C ATOM 703 O LYS A 48 8.312 -16.084 1.793 1.00 0.00 O ATOM 704 CB LYS A 48 10.808 -16.811 4.078 1.00 0.00 C ATOM 705 CG LYS A 48 11.858 -17.879 3.828 1.00 0.00 C ATOM 706 CD LYS A 48 12.649 -18.190 5.087 1.00 0.00 C ATOM 707 CE LYS A 48 11.940 -19.222 5.950 1.00 0.00 C ATOM 708 NZ LYS A 48 12.698 -19.519 7.197 1.00 0.00 N ATOM 0 H LYS A 48 9.549 -14.584 4.100 1.00 0.00 H new ATOM 0 HA LYS A 48 11.356 -15.904 2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.160 -16.145 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.899 -17.286 4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.375 -18.787 3.467 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.537 -17.546 3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.638 -18.559 4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.797 -17.275 5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.945 -18.858 6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.805 -20.141 5.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.181 -20.227 7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.638 -19.891 6.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.805 -18.647 7.754 1.00 0.00 H new ATOM 722 N MET A 49 9.619 -17.908 1.635 1.00 0.00 N ATOM 723 CA MET A 49 8.646 -18.674 0.866 1.00 0.00 C ATOM 724 C MET A 49 7.290 -18.687 1.564 1.00 0.00 C ATOM 725 O MET A 49 6.261 -18.953 0.941 1.00 0.00 O ATOM 726 CB MET A 49 9.140 -20.107 0.660 1.00 0.00 C ATOM 727 CG MET A 49 10.221 -20.231 -0.401 1.00 0.00 C ATOM 728 SD MET A 49 10.663 -21.944 -0.746 1.00 0.00 S ATOM 729 CE MET A 49 9.416 -22.380 -1.955 1.00 0.00 C ATOM 0 H MET A 49 10.489 -18.404 1.828 1.00 0.00 H new ATOM 0 HA MET A 49 8.530 -18.194 -0.106 1.00 0.00 H new ATOM 0 HB2 MET A 49 9.525 -20.489 1.605 1.00 0.00 H new ATOM 0 HB3 MET A 49 8.295 -20.737 0.382 1.00 0.00 H new ATOM 0 HG2 MET A 49 9.878 -19.756 -1.320 1.00 0.00 H new ATOM 0 HG3 MET A 49 11.109 -19.690 -0.074 1.00 0.00 H new ATOM 0 HE1 MET A 49 9.558 -23.415 -2.267 1.00 0.00 H new ATOM 0 HE2 MET A 49 8.426 -22.266 -1.514 1.00 0.00 H new ATOM 0 HE3 MET A 49 9.504 -21.725 -2.821 1.00 0.00 H new ATOM 739 N LYS A 50 7.294 -18.398 2.861 1.00 0.00 N ATOM 740 CA LYS A 50 6.065 -18.375 3.645 1.00 0.00 C ATOM 741 C LYS A 50 5.332 -17.048 3.469 1.00 0.00 C ATOM 742 O LYS A 50 4.430 -16.720 4.238 1.00 0.00 O ATOM 743 CB LYS A 50 6.375 -18.606 5.125 1.00 0.00 C ATOM 744 CG LYS A 50 7.062 -19.932 5.403 1.00 0.00 C ATOM 745 CD LYS A 50 6.105 -21.101 5.237 1.00 0.00 C ATOM 746 CE LYS A 50 5.353 -21.393 6.527 1.00 0.00 C ATOM 747 NZ LYS A 50 4.041 -22.046 6.268 1.00 0.00 N ATOM 0 H LYS A 50 8.136 -18.176 3.392 1.00 0.00 H new ATOM 0 HA LYS A 50 5.420 -19.177 3.286 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.008 -17.796 5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.446 -18.562 5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.908 -20.054 4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.463 -19.930 6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.393 -20.880 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.661 -21.987 4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.960 -22.037 7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.194 -20.463 7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.560 -22.228 7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.452 -21.421 5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.193 -22.946 5.769 1.00 0.00 H new ATOM 761 N ASN A 51 5.726 -16.290 2.451 1.00 0.00 N ATOM 762 CA ASN A 51 5.106 -15.000 2.174 1.00 0.00 C ATOM 763 C ASN A 51 3.677 -15.179 1.672 1.00 0.00 C ATOM 764 O ASN A 51 3.451 -15.432 0.488 1.00 0.00 O ATOM 765 CB ASN A 51 5.928 -14.226 1.141 1.00 0.00 C ATOM 766 CG ASN A 51 5.564 -12.755 1.097 1.00 0.00 C ATOM 767 OD1 ASN A 51 6.028 -11.964 1.919 1.00 0.00 O ATOM 768 ND2 ASN A 51 4.730 -12.380 0.134 1.00 0.00 N ATOM 0 H ASN A 51 6.472 -16.547 1.804 1.00 0.00 H new ATOM 0 HA ASN A 51 5.077 -14.433 3.104 1.00 0.00 H new ATOM 0 HB2 ASN A 51 6.988 -14.328 1.374 1.00 0.00 H new ATOM 0 HB3 ASN A 51 5.774 -14.665 0.155 1.00 0.00 H new ATOM 0 HD21 ASN A 51 4.450 -11.403 0.054 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.370 -13.069 -0.526 1.00 0.00 H new ATOM 775 N ARG A 52 2.715 -15.047 2.580 1.00 0.00 N ATOM 776 CA ARG A 52 1.308 -15.196 2.230 1.00 0.00 C ATOM 777 C ARG A 52 1.028 -14.618 0.845 1.00 0.00 C ATOM 778 O ARG A 52 0.176 -15.119 0.113 1.00 0.00 O ATOM 779 CB ARG A 52 0.426 -14.504 3.270 1.00 0.00 C ATOM 780 CG ARG A 52 0.498 -12.986 3.217 1.00 0.00 C ATOM 781 CD ARG A 52 1.713 -12.460 3.966 1.00 0.00 C ATOM 782 NE ARG A 52 1.486 -11.122 4.506 1.00 0.00 N ATOM 783 CZ ARG A 52 0.777 -10.884 5.604 1.00 0.00 C ATOM 784 NH1 ARG A 52 0.230 -11.888 6.275 1.00 0.00 N ATOM 785 NH2 ARG A 52 0.615 -9.638 6.033 1.00 0.00 N ATOM 0 H ARG A 52 2.885 -14.837 3.564 1.00 0.00 H new ATOM 0 HA ARG A 52 1.074 -16.260 2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.608 -14.816 3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.721 -14.839 4.265 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.540 -12.659 2.178 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.409 -12.562 3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.961 -13.142 4.779 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.572 -12.439 3.295 1.00 0.00 H new ATOM 0 HE ARG A 52 1.894 -10.327 4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.353 -12.847 5.949 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.314 -11.702 7.118 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.035 -8.863 5.519 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.071 -9.456 6.876 1.00 0.00 H new ATOM 799 N GLY A 53 1.753 -13.560 0.493 1.00 0.00 N ATOM 800 CA GLY A 53 1.567 -12.931 -0.801 1.00 0.00 C ATOM 801 C GLY A 53 0.912 -11.569 -0.696 1.00 0.00 C ATOM 802 O GLY A 53 -0.253 -11.402 -1.058 1.00 0.00 O ATOM 0 H GLY A 53 2.466 -13.128 1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.534 -12.828 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.955 -13.577 -1.431 1.00 0.00 H new ATOM 806 N PHE A 54 1.660 -10.591 -0.197 1.00 0.00 N ATOM 807 CA PHE A 54 1.144 -9.236 -0.042 1.00 0.00 C ATOM 808 C PHE A 54 2.284 -8.232 0.098 1.00 0.00 C ATOM 809 O PHE A 54 3.440 -8.611 0.282 1.00 0.00 O ATOM 810 CB PHE A 54 0.225 -9.154 1.179 1.00 0.00 C ATOM 811 CG PHE A 54 0.209 -7.799 1.827 1.00 0.00 C ATOM 812 CD1 PHE A 54 1.298 -7.353 2.558 1.00 0.00 C ATOM 813 CD2 PHE A 54 -0.896 -6.972 1.706 1.00 0.00 C ATOM 814 CE1 PHE A 54 1.285 -6.107 3.156 1.00 0.00 C ATOM 815 CE2 PHE A 54 -0.914 -5.725 2.302 1.00 0.00 C ATOM 816 CZ PHE A 54 0.178 -5.292 3.027 1.00 0.00 C ATOM 0 H PHE A 54 2.626 -10.711 0.107 1.00 0.00 H new ATOM 0 HA PHE A 54 0.572 -8.988 -0.936 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -0.789 -9.416 0.879 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.542 -9.895 1.913 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.167 -7.986 2.662 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.753 -7.305 1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.140 -5.771 3.724 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.782 -5.090 2.201 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.166 -4.318 3.492 1.00 0.00 H new ATOM 826 N ALA A 55 1.949 -6.949 0.009 1.00 0.00 N ATOM 827 CA ALA A 55 2.944 -5.890 0.126 1.00 0.00 C ATOM 828 C ALA A 55 2.294 -4.567 0.519 1.00 0.00 C ATOM 829 O ALA A 55 1.129 -4.320 0.206 1.00 0.00 O ATOM 830 CB ALA A 55 3.709 -5.737 -1.180 1.00 0.00 C ATOM 0 H ALA A 55 0.996 -6.618 -0.144 1.00 0.00 H new ATOM 0 HA ALA A 55 3.644 -6.169 0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.448 -4.943 -1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.213 -6.674 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.014 -5.485 -1.981 1.00 0.00 H new ATOM 836 N PHE A 56 3.054 -3.721 1.206 1.00 0.00 N ATOM 837 CA PHE A 56 2.550 -2.424 1.643 1.00 0.00 C ATOM 838 C PHE A 56 3.047 -1.311 0.725 1.00 0.00 C ATOM 839 O PHE A 56 4.193 -1.325 0.277 1.00 0.00 O ATOM 840 CB PHE A 56 2.984 -2.144 3.084 1.00 0.00 C ATOM 841 CG PHE A 56 2.002 -2.631 4.110 1.00 0.00 C ATOM 842 CD1 PHE A 56 0.737 -2.071 4.199 1.00 0.00 C ATOM 843 CD2 PHE A 56 2.343 -3.648 4.987 1.00 0.00 C ATOM 844 CE1 PHE A 56 -0.169 -2.517 5.143 1.00 0.00 C ATOM 845 CE2 PHE A 56 1.442 -4.098 5.933 1.00 0.00 C ATOM 846 CZ PHE A 56 0.184 -3.531 6.011 1.00 0.00 C ATOM 0 H PHE A 56 4.020 -3.910 1.472 1.00 0.00 H new ATOM 0 HA PHE A 56 1.461 -2.450 1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.949 -2.617 3.263 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.127 -1.071 3.210 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.456 -1.277 3.523 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.325 -4.094 4.931 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.152 -2.073 5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.720 -4.892 6.610 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.522 -3.881 6.750 1.00 0.00 H new ATOM 856 N VAL A 57 2.174 -0.347 0.448 1.00 0.00 N ATOM 857 CA VAL A 57 2.523 0.775 -0.415 1.00 0.00 C ATOM 858 C VAL A 57 2.241 2.106 0.272 1.00 0.00 C ATOM 859 O VAL A 57 1.090 2.528 0.380 1.00 0.00 O ATOM 860 CB VAL A 57 1.746 0.722 -1.745 1.00 0.00 C ATOM 861 CG1 VAL A 57 2.434 1.576 -2.799 1.00 0.00 C ATOM 862 CG2 VAL A 57 1.604 -0.716 -2.221 1.00 0.00 C ATOM 0 H VAL A 57 1.220 -0.321 0.809 1.00 0.00 H new ATOM 0 HA VAL A 57 3.590 0.695 -0.622 1.00 0.00 H new ATOM 0 HB VAL A 57 0.747 1.126 -1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.871 1.527 -3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.479 2.610 -2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.445 1.204 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.053 -0.735 -3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.593 -1.149 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.064 -1.296 -1.472 1.00 0.00 H new ATOM 872 N GLU A 58 3.301 2.763 0.734 1.00 0.00 N ATOM 873 CA GLU A 58 3.166 4.047 1.412 1.00 0.00 C ATOM 874 C GLU A 58 3.075 5.188 0.403 1.00 0.00 C ATOM 875 O GLU A 58 3.850 5.250 -0.552 1.00 0.00 O ATOM 876 CB GLU A 58 4.350 4.278 2.353 1.00 0.00 C ATOM 877 CG GLU A 58 4.011 5.142 3.557 1.00 0.00 C ATOM 878 CD GLU A 58 5.212 5.902 4.086 1.00 0.00 C ATOM 879 OE1 GLU A 58 5.803 6.687 3.315 1.00 0.00 O ATOM 880 OE2 GLU A 58 5.560 5.712 5.270 1.00 0.00 O ATOM 0 H GLU A 58 4.261 2.428 0.651 1.00 0.00 H new ATOM 0 HA GLU A 58 2.245 4.026 1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.720 3.314 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.160 4.748 1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.229 5.850 3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.606 4.512 4.349 1.00 0.00 H new ATOM 887 N TYR A 59 2.123 6.088 0.621 1.00 0.00 N ATOM 888 CA TYR A 59 1.928 7.226 -0.270 1.00 0.00 C ATOM 889 C TYR A 59 2.156 8.541 0.467 1.00 0.00 C ATOM 890 O TYR A 59 1.574 8.781 1.525 1.00 0.00 O ATOM 891 CB TYR A 59 0.518 7.199 -0.864 1.00 0.00 C ATOM 892 CG TYR A 59 0.286 6.050 -1.820 1.00 0.00 C ATOM 893 CD1 TYR A 59 -0.096 4.799 -1.354 1.00 0.00 C ATOM 894 CD2 TYR A 59 0.447 6.218 -3.190 1.00 0.00 C ATOM 895 CE1 TYR A 59 -0.308 3.747 -2.223 1.00 0.00 C ATOM 896 CE2 TYR A 59 0.236 5.172 -4.067 1.00 0.00 C ATOM 897 CZ TYR A 59 -0.142 3.938 -3.579 1.00 0.00 C ATOM 898 OH TYR A 59 -0.354 2.893 -4.449 1.00 0.00 O ATOM 0 H TYR A 59 1.474 6.052 1.407 1.00 0.00 H new ATOM 0 HA TYR A 59 2.657 7.152 -1.077 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.208 7.138 -0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 59 0.335 8.138 -1.386 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.230 4.646 -0.293 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.742 7.183 -3.576 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.602 2.780 -1.843 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.366 5.319 -5.129 1.00 0.00 H new ATOM 0 HH TYR A 59 0.109 3.072 -5.294 1.00 0.00 H new ATOM 908 N GLU A 60 3.007 9.391 -0.100 1.00 0.00 N ATOM 909 CA GLU A 60 3.313 10.682 0.504 1.00 0.00 C ATOM 910 C GLU A 60 2.047 11.517 0.673 1.00 0.00 C ATOM 911 O GLU A 60 1.828 12.127 1.720 1.00 0.00 O ATOM 912 CB GLU A 60 4.327 11.443 -0.352 1.00 0.00 C ATOM 913 CG GLU A 60 3.869 11.667 -1.784 1.00 0.00 C ATOM 914 CD GLU A 60 4.923 12.352 -2.633 1.00 0.00 C ATOM 915 OE1 GLU A 60 6.116 12.015 -2.485 1.00 0.00 O ATOM 916 OE2 GLU A 60 4.553 13.224 -3.446 1.00 0.00 O ATOM 0 H GLU A 60 3.496 9.208 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 60 3.743 10.500 1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.529 12.409 0.111 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.267 10.892 -0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.612 10.708 -2.234 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.961 12.271 -1.781 1.00 0.00 H new ATOM 923 N SER A 61 1.216 11.538 -0.364 1.00 0.00 N ATOM 924 CA SER A 61 -0.027 12.301 -0.333 1.00 0.00 C ATOM 925 C SER A 61 -1.168 11.457 0.227 1.00 0.00 C ATOM 926 O SER A 61 -1.470 10.381 -0.289 1.00 0.00 O ATOM 927 CB SER A 61 -0.382 12.794 -1.737 1.00 0.00 C ATOM 928 OG SER A 61 -1.764 13.091 -1.838 1.00 0.00 O ATOM 0 H SER A 61 1.381 11.036 -1.236 1.00 0.00 H new ATOM 0 HA SER A 61 0.119 13.162 0.320 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.203 13.683 -1.972 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.115 12.034 -2.471 1.00 0.00 H new ATOM 0 HG SER A 61 -1.966 13.405 -2.744 1.00 0.00 H new ATOM 934 N HIS A 62 -1.799 11.955 1.286 1.00 0.00 N ATOM 935 CA HIS A 62 -2.908 11.248 1.916 1.00 0.00 C ATOM 936 C HIS A 62 -3.916 10.776 0.872 1.00 0.00 C ATOM 937 O HIS A 62 -4.547 9.731 1.032 1.00 0.00 O ATOM 938 CB HIS A 62 -3.600 12.149 2.939 1.00 0.00 C ATOM 939 CG HIS A 62 -5.039 11.803 3.166 1.00 0.00 C ATOM 940 ND1 HIS A 62 -5.499 10.505 3.235 1.00 0.00 N ATOM 941 CD2 HIS A 62 -6.123 12.595 3.342 1.00 0.00 C ATOM 942 CE1 HIS A 62 -6.804 10.513 3.442 1.00 0.00 C ATOM 943 NE2 HIS A 62 -7.207 11.769 3.511 1.00 0.00 N ATOM 0 H HIS A 62 -1.561 12.844 1.725 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.505 10.374 2.427 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.066 12.085 3.887 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.532 13.184 2.604 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -4.922 9.669 3.141 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.133 13.675 3.348 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.434 9.641 3.538 1.00 0.00 H new ATOM 951 N ARG A 63 -4.062 11.554 -0.195 1.00 0.00 N ATOM 952 CA ARG A 63 -4.995 11.217 -1.264 1.00 0.00 C ATOM 953 C ARG A 63 -4.359 10.245 -2.253 1.00 0.00 C ATOM 954 O ARG A 63 -5.002 9.300 -2.711 1.00 0.00 O ATOM 955 CB ARG A 63 -5.445 12.483 -1.995 1.00 0.00 C ATOM 956 CG ARG A 63 -6.343 12.210 -3.191 1.00 0.00 C ATOM 957 CD ARG A 63 -7.759 11.863 -2.756 1.00 0.00 C ATOM 958 NE ARG A 63 -8.511 13.046 -2.347 1.00 0.00 N ATOM 959 CZ ARG A 63 -9.045 13.909 -3.203 1.00 0.00 C ATOM 960 NH1 ARG A 63 -8.912 13.722 -4.509 1.00 0.00 N ATOM 961 NH2 ARG A 63 -9.716 14.962 -2.753 1.00 0.00 N ATOM 0 H ARG A 63 -3.547 12.422 -0.343 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.864 10.736 -0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.974 13.128 -1.294 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.564 13.031 -2.330 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -6.365 13.086 -3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.930 11.390 -3.778 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.279 11.368 -3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.721 11.154 -1.929 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.633 13.219 -1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.398 12.913 -4.859 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.324 14.387 -5.164 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.822 15.109 -1.749 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.126 15.625 -3.411 1.00 0.00 H new ATOM 975 N ALA A 64 -3.093 10.483 -2.579 1.00 0.00 N ATOM 976 CA ALA A 64 -2.370 9.628 -3.512 1.00 0.00 C ATOM 977 C ALA A 64 -2.755 8.164 -3.327 1.00 0.00 C ATOM 978 O ALA A 64 -2.834 7.406 -4.293 1.00 0.00 O ATOM 979 CB ALA A 64 -0.869 9.807 -3.338 1.00 0.00 C ATOM 0 H ALA A 64 -2.547 11.261 -2.210 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.645 9.924 -4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.342 9.162 -4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.602 10.847 -3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.586 9.541 -2.320 1.00 0.00 H new ATOM 985 N ALA A 65 -2.994 7.773 -2.079 1.00 0.00 N ATOM 986 CA ALA A 65 -3.372 6.401 -1.768 1.00 0.00 C ATOM 987 C ALA A 65 -4.846 6.155 -2.072 1.00 0.00 C ATOM 988 O ALA A 65 -5.204 5.146 -2.679 1.00 0.00 O ATOM 989 CB ALA A 65 -3.073 6.089 -0.309 1.00 0.00 C ATOM 0 H ALA A 65 -2.932 8.388 -1.267 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.782 5.736 -2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.360 5.061 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.007 6.216 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.637 6.767 0.331 1.00 0.00 H new ATOM 995 N ALA A 66 -5.696 7.083 -1.646 1.00 0.00 N ATOM 996 CA ALA A 66 -7.131 6.967 -1.874 1.00 0.00 C ATOM 997 C ALA A 66 -7.444 6.867 -3.363 1.00 0.00 C ATOM 998 O ALA A 66 -8.363 6.155 -3.767 1.00 0.00 O ATOM 999 CB ALA A 66 -7.861 8.151 -1.258 1.00 0.00 C ATOM 0 H ALA A 66 -5.416 7.924 -1.141 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.477 6.051 -1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.932 8.051 -1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.672 8.176 -0.185 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.503 9.075 -1.711 1.00 0.00 H new ATOM 1005 N MET A 67 -6.674 7.585 -4.174 1.00 0.00 N ATOM 1006 CA MET A 67 -6.870 7.576 -5.619 1.00 0.00 C ATOM 1007 C MET A 67 -6.084 6.441 -6.267 1.00 0.00 C ATOM 1008 O MET A 67 -6.427 5.978 -7.354 1.00 0.00 O ATOM 1009 CB MET A 67 -6.442 8.916 -6.221 1.00 0.00 C ATOM 1010 CG MET A 67 -4.988 9.267 -5.952 1.00 0.00 C ATOM 1011 SD MET A 67 -4.412 10.654 -6.950 1.00 0.00 S ATOM 1012 CE MET A 67 -2.841 10.022 -7.533 1.00 0.00 C ATOM 0 H MET A 67 -5.909 8.180 -3.855 1.00 0.00 H new ATOM 0 HA MET A 67 -7.930 7.419 -5.816 1.00 0.00 H new ATOM 0 HB2 MET A 67 -6.608 8.890 -7.298 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.078 9.705 -5.819 1.00 0.00 H new ATOM 0 HG2 MET A 67 -4.866 9.509 -4.896 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.365 8.396 -6.154 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.179 10.855 -7.770 1.00 0.00 H new ATOM 0 HE2 MET A 67 -2.386 9.406 -6.757 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.000 9.420 -8.427 1.00 0.00 H new ATOM 1022 N ALA A 68 -5.028 5.997 -5.592 1.00 0.00 N ATOM 1023 CA ALA A 68 -4.195 4.915 -6.102 1.00 0.00 C ATOM 1024 C ALA A 68 -4.906 3.571 -5.979 1.00 0.00 C ATOM 1025 O ALA A 68 -4.693 2.670 -6.790 1.00 0.00 O ATOM 1026 CB ALA A 68 -2.865 4.880 -5.364 1.00 0.00 C ATOM 0 H ALA A 68 -4.730 6.370 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.006 5.102 -7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.253 4.067 -5.755 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.345 5.827 -5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.043 4.721 -4.301 1.00 0.00 H new ATOM 1032 N ARG A 69 -5.749 3.444 -4.960 1.00 0.00 N ATOM 1033 CA ARG A 69 -6.489 2.209 -4.731 1.00 0.00 C ATOM 1034 C ARG A 69 -7.721 2.138 -5.629 1.00 0.00 C ATOM 1035 O ARG A 69 -7.983 1.113 -6.260 1.00 0.00 O ATOM 1036 CB ARG A 69 -6.909 2.106 -3.263 1.00 0.00 C ATOM 1037 CG ARG A 69 -7.756 3.275 -2.789 1.00 0.00 C ATOM 1038 CD ARG A 69 -9.241 2.996 -2.966 1.00 0.00 C ATOM 1039 NE ARG A 69 -9.825 2.372 -1.782 1.00 0.00 N ATOM 1040 CZ ARG A 69 -11.113 2.457 -1.467 1.00 0.00 C ATOM 1041 NH1 ARG A 69 -11.946 3.134 -2.245 1.00 0.00 N ATOM 1042 NH2 ARG A 69 -11.570 1.862 -0.373 1.00 0.00 N ATOM 0 H ARG A 69 -5.937 4.181 -4.280 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.834 1.372 -4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.467 1.181 -3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.016 2.040 -2.642 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.545 3.476 -1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.484 4.172 -3.346 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.762 3.929 -3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.387 2.346 -3.828 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.211 1.842 -1.163 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.599 3.591 -3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -12.934 3.198 -2.001 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.932 1.339 0.227 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.559 1.928 -0.132 1.00 0.00 H new ATOM 1056 N ARG A 70 -8.472 3.232 -5.682 1.00 0.00 N ATOM 1057 CA ARG A 70 -9.677 3.294 -6.501 1.00 0.00 C ATOM 1058 C ARG A 70 -9.380 2.867 -7.936 1.00 0.00 C ATOM 1059 O ARG A 70 -10.286 2.513 -8.690 1.00 0.00 O ATOM 1060 CB ARG A 70 -10.257 4.709 -6.488 1.00 0.00 C ATOM 1061 CG ARG A 70 -9.554 5.664 -7.438 1.00 0.00 C ATOM 1062 CD ARG A 70 -10.220 5.682 -8.805 1.00 0.00 C ATOM 1063 NE ARG A 70 -11.510 6.366 -8.777 1.00 0.00 N ATOM 1064 CZ ARG A 70 -12.112 6.845 -9.860 1.00 0.00 C ATOM 1065 NH1 ARG A 70 -11.544 6.714 -11.050 1.00 0.00 N ATOM 1066 NH2 ARG A 70 -13.285 7.456 -9.753 1.00 0.00 N ATOM 0 H ARG A 70 -8.268 4.089 -5.167 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.409 2.606 -6.079 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.314 4.662 -6.750 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.197 5.108 -5.475 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.560 6.669 -7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.510 5.370 -7.545 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.564 6.176 -9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.360 4.659 -9.153 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.974 6.482 -7.876 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.643 6.245 -11.136 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.008 7.083 -11.880 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.725 7.558 -8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.746 7.823 -10.585 1.00 0.00 H new ATOM 1080 N LYS A 71 -8.105 2.905 -8.307 1.00 0.00 N ATOM 1081 CA LYS A 71 -7.687 2.522 -9.651 1.00 0.00 C ATOM 1082 C LYS A 71 -7.449 1.018 -9.739 1.00 0.00 C ATOM 1083 O LYS A 71 -7.888 0.364 -10.685 1.00 0.00 O ATOM 1084 CB LYS A 71 -6.414 3.275 -10.045 1.00 0.00 C ATOM 1085 CG LYS A 71 -5.919 2.943 -11.442 1.00 0.00 C ATOM 1086 CD LYS A 71 -4.646 3.702 -11.778 1.00 0.00 C ATOM 1087 CE LYS A 71 -3.925 3.083 -12.965 1.00 0.00 C ATOM 1088 NZ LYS A 71 -2.958 4.032 -13.583 1.00 0.00 N ATOM 0 H LYS A 71 -7.343 3.197 -7.696 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.487 2.786 -10.343 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.601 4.347 -9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.628 3.044 -9.326 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.736 1.871 -11.519 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.692 3.187 -12.170 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.889 4.741 -12.000 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.985 3.707 -10.912 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.397 2.186 -12.642 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.656 2.771 -13.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.487 3.572 -14.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.465 4.877 -13.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.246 4.310 -12.878 1.00 0.00 H new ATOM 1102 N LEU A 72 -6.752 0.475 -8.747 1.00 0.00 N ATOM 1103 CA LEU A 72 -6.457 -0.953 -8.711 1.00 0.00 C ATOM 1104 C LEU A 72 -7.561 -1.719 -7.991 1.00 0.00 C ATOM 1105 O LEU A 72 -7.526 -2.947 -7.908 1.00 0.00 O ATOM 1106 CB LEU A 72 -5.114 -1.199 -8.020 1.00 0.00 C ATOM 1107 CG LEU A 72 -4.035 -0.143 -8.255 1.00 0.00 C ATOM 1108 CD1 LEU A 72 -2.918 -0.284 -7.233 1.00 0.00 C ATOM 1109 CD2 LEU A 72 -3.482 -0.249 -9.669 1.00 0.00 C ATOM 0 H LEU A 72 -6.381 1.002 -7.957 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.401 -1.314 -9.738 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.289 -1.278 -6.947 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.729 -2.163 -8.352 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.487 0.842 -8.136 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.159 0.476 -7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.325 -0.156 -6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.469 -1.273 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.715 0.511 -9.818 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.047 -1.237 -9.816 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.288 -0.097 -10.387 1.00 0.00 H new ATOM 1121 N MET A 73 -8.541 -0.987 -7.472 1.00 0.00 N ATOM 1122 CA MET A 73 -9.658 -1.599 -6.762 1.00 0.00 C ATOM 1123 C MET A 73 -10.407 -2.575 -7.663 1.00 0.00 C ATOM 1124 O MET A 73 -10.640 -3.731 -7.309 1.00 0.00 O ATOM 1125 CB MET A 73 -10.616 -0.522 -6.250 1.00 0.00 C ATOM 1126 CG MET A 73 -11.230 -0.847 -4.897 1.00 0.00 C ATOM 1127 SD MET A 73 -12.063 0.569 -4.154 1.00 0.00 S ATOM 1128 CE MET A 73 -12.154 0.047 -2.443 1.00 0.00 C ATOM 0 H MET A 73 -8.584 0.030 -7.530 1.00 0.00 H new ATOM 0 HA MET A 73 -9.256 -2.152 -5.913 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.080 0.425 -6.179 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.415 -0.382 -6.978 1.00 0.00 H new ATOM 0 HG2 MET A 73 -11.943 -1.663 -5.013 1.00 0.00 H new ATOM 0 HG3 MET A 73 -10.449 -1.199 -4.223 1.00 0.00 H new ATOM 0 HE1 MET A 73 -12.865 0.676 -1.908 1.00 0.00 H new ATOM 0 HE2 MET A 73 -12.481 -0.992 -2.396 1.00 0.00 H new ATOM 0 HE3 MET A 73 -11.171 0.138 -1.982 1.00 0.00 H new ATOM 1138 N PRO A 74 -10.795 -2.101 -8.857 1.00 0.00 N ATOM 1139 CA PRO A 74 -11.523 -2.916 -9.833 1.00 0.00 C ATOM 1140 C PRO A 74 -10.651 -4.010 -10.441 1.00 0.00 C ATOM 1141 O PRO A 74 -11.087 -4.745 -11.326 1.00 0.00 O ATOM 1142 CB PRO A 74 -11.935 -1.903 -10.905 1.00 0.00 C ATOM 1143 CG PRO A 74 -10.928 -0.810 -10.798 1.00 0.00 C ATOM 1144 CD PRO A 74 -10.552 -0.733 -9.345 1.00 0.00 C ATOM 0 HA PRO A 74 -12.363 -3.442 -9.379 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -11.928 -2.352 -11.898 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -12.944 -1.530 -10.731 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.055 -1.022 -11.416 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.342 0.137 -11.145 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.511 -0.439 -9.214 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -11.159 -0.002 -8.811 1.00 0.00 H new ATOM 1152 N GLY A 75 -9.416 -4.111 -9.960 1.00 0.00 N ATOM 1153 CA GLY A 75 -8.502 -5.118 -10.468 1.00 0.00 C ATOM 1154 C GLY A 75 -8.238 -4.965 -11.952 1.00 0.00 C ATOM 1155 O GLY A 75 -7.916 -5.937 -12.636 1.00 0.00 O ATOM 0 H GLY A 75 -9.032 -3.514 -9.228 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -7.559 -5.055 -9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.914 -6.109 -10.276 1.00 0.00 H new ATOM 1159 N ARG A 76 -8.375 -3.741 -12.453 1.00 0.00 N ATOM 1160 CA ARG A 76 -8.152 -3.465 -13.867 1.00 0.00 C ATOM 1161 C ARG A 76 -6.681 -3.646 -14.230 1.00 0.00 C ATOM 1162 O ARG A 76 -6.350 -4.008 -15.360 1.00 0.00 O ATOM 1163 CB ARG A 76 -8.602 -2.043 -14.208 1.00 0.00 C ATOM 1164 CG ARG A 76 -10.107 -1.901 -14.361 1.00 0.00 C ATOM 1165 CD ARG A 76 -10.604 -2.566 -15.635 1.00 0.00 C ATOM 1166 NE ARG A 76 -12.060 -2.672 -15.665 1.00 0.00 N ATOM 1167 CZ ARG A 76 -12.767 -2.768 -16.786 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -12.154 -2.772 -17.962 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -14.089 -2.861 -16.732 1.00 0.00 N ATOM 0 H ARG A 76 -8.639 -2.925 -11.901 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.742 -4.174 -14.448 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.259 -1.365 -13.426 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.120 -1.731 -15.134 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.605 -2.346 -13.499 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.374 -0.844 -14.373 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -10.264 -1.994 -16.499 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.166 -3.561 -15.719 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.562 -2.672 -14.777 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.137 -2.701 -18.007 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.699 -2.846 -18.821 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.564 -2.859 -15.829 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.631 -2.935 -17.593 1.00 0.00 H new ATOM 1183 N ILE A 77 -5.803 -3.390 -13.266 1.00 0.00 N ATOM 1184 CA ILE A 77 -4.368 -3.525 -13.485 1.00 0.00 C ATOM 1185 C ILE A 77 -3.820 -4.766 -12.789 1.00 0.00 C ATOM 1186 O ILE A 77 -4.309 -5.163 -11.731 1.00 0.00 O ATOM 1187 CB ILE A 77 -3.603 -2.287 -12.979 1.00 0.00 C ATOM 1188 CG1 ILE A 77 -4.017 -1.046 -13.773 1.00 0.00 C ATOM 1189 CG2 ILE A 77 -2.102 -2.513 -13.084 1.00 0.00 C ATOM 1190 CD1 ILE A 77 -5.188 -0.305 -13.168 1.00 0.00 C ATOM 0 H ILE A 77 -6.060 -3.088 -12.326 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.220 -3.620 -14.561 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.854 -2.126 -11.931 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.166 -0.369 -13.843 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -4.272 -1.344 -14.790 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.575 -1.630 -12.723 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.821 -3.376 -12.480 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.833 -2.696 -14.124 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.426 0.563 -13.783 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.053 -0.967 -13.123 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.930 0.024 -12.161 1.00 0.00 H new ATOM 1202 N GLN A 78 -2.802 -5.373 -13.389 1.00 0.00 N ATOM 1203 CA GLN A 78 -2.187 -6.570 -12.826 1.00 0.00 C ATOM 1204 C GLN A 78 -0.672 -6.417 -12.747 1.00 0.00 C ATOM 1205 O GLN A 78 -0.056 -5.779 -13.603 1.00 0.00 O ATOM 1206 CB GLN A 78 -2.544 -7.797 -13.667 1.00 0.00 C ATOM 1207 CG GLN A 78 -4.038 -8.069 -13.741 1.00 0.00 C ATOM 1208 CD GLN A 78 -4.352 -9.484 -14.185 1.00 0.00 C ATOM 1209 OE1 GLN A 78 -3.850 -9.952 -15.208 1.00 0.00 O ATOM 1210 NE2 GLN A 78 -5.186 -10.175 -13.417 1.00 0.00 N ATOM 0 H GLN A 78 -2.385 -5.056 -14.264 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.574 -6.706 -11.816 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.157 -7.660 -14.677 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -2.044 -8.671 -13.250 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -4.485 -7.892 -12.763 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -4.498 -7.364 -14.434 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -5.579 -9.748 -12.578 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.434 -11.133 -13.666 1.00 0.00 H new ATOM 1219 N LEU A 79 -0.076 -7.005 -11.716 1.00 0.00 N ATOM 1220 CA LEU A 79 1.369 -6.934 -11.524 1.00 0.00 C ATOM 1221 C LEU A 79 2.039 -8.234 -11.955 1.00 0.00 C ATOM 1222 O LEU A 79 1.801 -9.291 -11.369 1.00 0.00 O ATOM 1223 CB LEU A 79 1.695 -6.639 -10.059 1.00 0.00 C ATOM 1224 CG LEU A 79 1.092 -5.358 -9.482 1.00 0.00 C ATOM 1225 CD1 LEU A 79 1.321 -5.289 -7.980 1.00 0.00 C ATOM 1226 CD2 LEU A 79 1.682 -4.135 -10.169 1.00 0.00 C ATOM 0 H LEU A 79 -0.571 -7.537 -11.000 1.00 0.00 H new ATOM 0 HA LEU A 79 1.754 -6.125 -12.145 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.355 -7.481 -9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.778 -6.587 -9.952 1.00 0.00 H new ATOM 0 HG LEU A 79 0.018 -5.371 -9.665 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.885 -4.370 -7.587 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.851 -6.148 -7.500 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.391 -5.299 -7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.242 -3.232 -9.746 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.761 -4.118 -10.017 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.466 -4.178 -11.237 1.00 0.00 H new ATOM 1238 N TRP A 80 2.880 -8.149 -12.979 1.00 0.00 N ATOM 1239 CA TRP A 80 3.588 -9.319 -13.486 1.00 0.00 C ATOM 1240 C TRP A 80 2.606 -10.391 -13.949 1.00 0.00 C ATOM 1241 O TRP A 80 2.847 -11.584 -13.772 1.00 0.00 O ATOM 1242 CB TRP A 80 4.513 -9.888 -12.409 1.00 0.00 C ATOM 1243 CG TRP A 80 5.313 -8.839 -11.699 1.00 0.00 C ATOM 1244 CD1 TRP A 80 6.448 -8.228 -12.152 1.00 0.00 C ATOM 1245 CD2 TRP A 80 5.041 -8.279 -10.410 1.00 0.00 C ATOM 1246 NE1 TRP A 80 6.897 -7.322 -11.221 1.00 0.00 N ATOM 1247 CE2 TRP A 80 6.051 -7.334 -10.144 1.00 0.00 C ATOM 1248 CE3 TRP A 80 4.041 -8.482 -9.456 1.00 0.00 C ATOM 1249 CZ2 TRP A 80 6.088 -6.597 -8.963 1.00 0.00 C ATOM 1250 CZ3 TRP A 80 4.079 -7.751 -8.284 1.00 0.00 C ATOM 1251 CH2 TRP A 80 5.096 -6.817 -8.046 1.00 0.00 C ATOM 0 H TRP A 80 3.089 -7.282 -13.475 1.00 0.00 H new ATOM 0 HA TRP A 80 4.187 -9.008 -14.341 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.916 -10.435 -11.679 1.00 0.00 H new ATOM 0 HB3 TRP A 80 5.194 -10.606 -12.867 1.00 0.00 H new ATOM 0 HD1 TRP A 80 6.922 -8.427 -13.102 1.00 0.00 H new ATOM 0 HE1 TRP A 80 7.726 -6.736 -11.317 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.252 -9.198 -9.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 6.872 -5.877 -8.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 3.312 -7.902 -7.539 1.00 0.00 H new ATOM 0 HH2 TRP A 80 5.097 -6.260 -7.121 1.00 0.00 H new ATOM 1262 N GLY A 81 1.498 -9.956 -14.541 1.00 0.00 N ATOM 1263 CA GLY A 81 0.497 -10.892 -15.020 1.00 0.00 C ATOM 1264 C GLY A 81 -0.324 -11.489 -13.894 1.00 0.00 C ATOM 1265 O GLY A 81 -1.166 -12.358 -14.122 1.00 0.00 O ATOM 0 H GLY A 81 1.276 -8.973 -14.697 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.167 -10.383 -15.719 1.00 0.00 H new ATOM 0 HA3 GLY A 81 0.988 -11.693 -15.572 1.00 0.00 H new ATOM 1269 N HIS A 82 -0.078 -11.024 -12.673 1.00 0.00 N ATOM 1270 CA HIS A 82 -0.800 -11.518 -11.506 1.00 0.00 C ATOM 1271 C HIS A 82 -1.787 -10.473 -10.995 1.00 0.00 C ATOM 1272 O HIS A 82 -1.449 -9.296 -10.872 1.00 0.00 O ATOM 1273 CB HIS A 82 0.181 -11.897 -10.396 1.00 0.00 C ATOM 1274 CG HIS A 82 1.152 -12.965 -10.794 1.00 0.00 C ATOM 1275 ND1 HIS A 82 1.558 -13.383 -12.016 1.00 0.00 N flip ATOM 1276 CD2 HIS A 82 1.829 -13.745 -9.880 1.00 0.00 C flip ATOM 1277 CE1 HIS A 82 2.464 -14.395 -11.820 1.00 0.00 C flip ATOM 1278 NE2 HIS A 82 2.611 -14.594 -10.523 1.00 0.00 N flip ATOM 0 H HIS A 82 0.616 -10.306 -12.466 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.360 -12.405 -11.804 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.735 -11.008 -10.093 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -0.381 -12.235 -9.525 1.00 0.00 H new ATOM 0 HD2 HIS A 82 1.735 -13.673 -8.807 1.00 0.00 H new ATOM 0 HE1 HIS A 82 2.974 -14.940 -12.600 1.00 0.00 H new ATOM 0 HE2 HIS A 82 3.224 -15.285 -10.091 1.00 0.00 H new ATOM 1286 N GLN A 83 -3.006 -10.912 -10.699 1.00 0.00 N ATOM 1287 CA GLN A 83 -4.041 -10.013 -10.203 1.00 0.00 C ATOM 1288 C GLN A 83 -3.699 -9.508 -8.805 1.00 0.00 C ATOM 1289 O GLN A 83 -3.062 -10.210 -8.020 1.00 0.00 O ATOM 1290 CB GLN A 83 -5.396 -10.722 -10.184 1.00 0.00 C ATOM 1291 CG GLN A 83 -5.707 -11.406 -8.863 1.00 0.00 C ATOM 1292 CD GLN A 83 -7.056 -12.097 -8.866 1.00 0.00 C ATOM 1293 OE1 GLN A 83 -7.800 -12.027 -9.845 1.00 0.00 O ATOM 1294 NE2 GLN A 83 -7.380 -12.770 -7.769 1.00 0.00 N ATOM 0 H GLN A 83 -3.301 -11.884 -10.794 1.00 0.00 H new ATOM 0 HA GLN A 83 -4.096 -9.157 -10.876 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.180 -9.996 -10.401 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.419 -11.464 -10.982 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -4.929 -12.138 -8.645 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.683 -10.668 -8.062 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -6.733 -12.802 -6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.276 -13.255 -7.714 1.00 0.00 H new ATOM 1303 N ILE A 84 -4.127 -8.287 -8.501 1.00 0.00 N ATOM 1304 CA ILE A 84 -3.866 -7.689 -7.198 1.00 0.00 C ATOM 1305 C ILE A 84 -5.093 -6.948 -6.678 1.00 0.00 C ATOM 1306 O ILE A 84 -5.944 -6.515 -7.454 1.00 0.00 O ATOM 1307 CB ILE A 84 -2.676 -6.713 -7.254 1.00 0.00 C ATOM 1308 CG1 ILE A 84 -2.770 -5.831 -8.500 1.00 0.00 C ATOM 1309 CG2 ILE A 84 -1.362 -7.480 -7.238 1.00 0.00 C ATOM 1310 CD1 ILE A 84 -3.626 -4.600 -8.306 1.00 0.00 C ATOM 0 H ILE A 84 -4.656 -7.693 -9.140 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.623 -8.506 -6.519 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.710 -6.070 -6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.766 -5.523 -8.794 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.176 -6.420 -9.322 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.530 -6.777 -7.278 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.296 -8.069 -6.323 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.318 -8.144 -8.101 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.647 -4.022 -9.230 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.640 -4.900 -8.042 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.209 -3.989 -7.506 1.00 0.00 H new ATOM 1322 N ALA A 85 -5.176 -6.804 -5.359 1.00 0.00 N ATOM 1323 CA ALA A 85 -6.296 -6.111 -4.736 1.00 0.00 C ATOM 1324 C ALA A 85 -5.809 -5.067 -3.736 1.00 0.00 C ATOM 1325 O ALA A 85 -4.808 -5.271 -3.049 1.00 0.00 O ATOM 1326 CB ALA A 85 -7.219 -7.109 -4.052 1.00 0.00 C ATOM 0 H ALA A 85 -4.481 -7.158 -4.702 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.852 -5.595 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -8.051 -6.578 -3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.603 -7.814 -4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.665 -7.651 -3.285 1.00 0.00 H new ATOM 1332 N VAL A 86 -6.522 -3.948 -3.661 1.00 0.00 N ATOM 1333 CA VAL A 86 -6.162 -2.872 -2.745 1.00 0.00 C ATOM 1334 C VAL A 86 -7.208 -2.712 -1.648 1.00 0.00 C ATOM 1335 O VAL A 86 -8.409 -2.682 -1.920 1.00 0.00 O ATOM 1336 CB VAL A 86 -6.004 -1.533 -3.488 1.00 0.00 C ATOM 1337 CG1 VAL A 86 -4.839 -1.598 -4.464 1.00 0.00 C ATOM 1338 CG2 VAL A 86 -7.293 -1.167 -4.207 1.00 0.00 C ATOM 0 H VAL A 86 -7.352 -3.763 -4.224 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.207 -3.144 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 86 -5.790 -0.754 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.743 -0.643 -4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.919 -1.810 -3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.019 -2.388 -5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.163 -0.218 -4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.540 -1.945 -4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.101 -1.075 -3.481 1.00 0.00 H new ATOM 1348 N ASP A 87 -6.745 -2.608 -0.407 1.00 0.00 N ATOM 1349 CA ASP A 87 -7.641 -2.448 0.733 1.00 0.00 C ATOM 1350 C ASP A 87 -7.106 -1.398 1.701 1.00 0.00 C ATOM 1351 O ASP A 87 -5.902 -1.146 1.756 1.00 0.00 O ATOM 1352 CB ASP A 87 -7.821 -3.783 1.457 1.00 0.00 C ATOM 1353 CG ASP A 87 -9.154 -3.877 2.174 1.00 0.00 C ATOM 1354 OD1 ASP A 87 -10.162 -3.396 1.617 1.00 0.00 O ATOM 1355 OD2 ASP A 87 -9.188 -4.431 3.293 1.00 0.00 O ATOM 0 H ASP A 87 -5.754 -2.632 -0.165 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.609 -2.112 0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.741 -4.597 0.737 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.014 -3.914 2.178 1.00 0.00 H new ATOM 1360 N TRP A 88 -8.008 -0.788 2.462 1.00 0.00 N ATOM 1361 CA TRP A 88 -7.626 0.236 3.428 1.00 0.00 C ATOM 1362 C TRP A 88 -6.865 -0.376 4.598 1.00 0.00 C ATOM 1363 O TRP A 88 -7.429 -1.130 5.391 1.00 0.00 O ATOM 1364 CB TRP A 88 -8.866 0.971 3.939 1.00 0.00 C ATOM 1365 CG TRP A 88 -9.263 2.134 3.080 1.00 0.00 C ATOM 1366 CD1 TRP A 88 -10.493 2.368 2.534 1.00 0.00 C ATOM 1367 CD2 TRP A 88 -8.425 3.220 2.668 1.00 0.00 C ATOM 1368 NE1 TRP A 88 -10.470 3.534 1.808 1.00 0.00 N ATOM 1369 CE2 TRP A 88 -9.214 4.076 1.874 1.00 0.00 C ATOM 1370 CE3 TRP A 88 -7.087 3.553 2.893 1.00 0.00 C ATOM 1371 CZ2 TRP A 88 -8.706 5.241 1.306 1.00 0.00 C ATOM 1372 CZ3 TRP A 88 -6.584 4.710 2.329 1.00 0.00 C ATOM 1373 CH2 TRP A 88 -7.392 5.543 1.543 1.00 0.00 C ATOM 0 H TRP A 88 -9.008 -0.985 2.429 1.00 0.00 H new ATOM 0 HA TRP A 88 -6.971 0.948 2.926 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -9.698 0.269 3.995 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -8.678 1.325 4.953 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -11.356 1.730 2.655 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.261 3.932 1.301 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -6.457 2.917 3.497 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.327 5.884 0.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.551 4.977 2.497 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.970 6.441 1.116 1.00 0.00 H new ATOM 1384 N ALA A 89 -5.582 -0.047 4.701 1.00 0.00 N ATOM 1385 CA ALA A 89 -4.744 -0.563 5.777 1.00 0.00 C ATOM 1386 C ALA A 89 -5.479 -0.520 7.113 1.00 0.00 C ATOM 1387 O ALA A 89 -5.435 -1.477 7.886 1.00 0.00 O ATOM 1388 CB ALA A 89 -3.446 0.226 5.860 1.00 0.00 C ATOM 0 H ALA A 89 -5.100 0.575 4.052 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.509 -1.604 5.555 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.830 -0.170 6.668 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -2.907 0.140 4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.670 1.275 6.055 1.00 0.00 H new ATOM 1394 N GLU A 90 -6.151 0.595 7.378 1.00 0.00 N ATOM 1395 CA GLU A 90 -6.893 0.762 8.622 1.00 0.00 C ATOM 1396 C GLU A 90 -8.340 1.162 8.343 1.00 0.00 C ATOM 1397 O GLU A 90 -8.630 1.953 7.446 1.00 0.00 O ATOM 1398 CB GLU A 90 -6.222 1.816 9.505 1.00 0.00 C ATOM 1399 CG GLU A 90 -4.857 1.396 10.023 1.00 0.00 C ATOM 1400 CD GLU A 90 -4.941 0.311 11.078 1.00 0.00 C ATOM 1401 OE1 GLU A 90 -5.579 0.549 12.125 1.00 0.00 O ATOM 1402 OE2 GLU A 90 -4.369 -0.777 10.857 1.00 0.00 O ATOM 0 H GLU A 90 -6.197 1.396 6.748 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.893 -0.194 9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.117 2.740 8.937 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.871 2.035 10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.250 1.041 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.348 2.265 10.441 1.00 0.00 H new ATOM 1409 N PRO A 91 -9.270 0.601 9.131 1.00 0.00 N ATOM 1410 CA PRO A 91 -10.701 0.884 8.989 1.00 0.00 C ATOM 1411 C PRO A 91 -11.057 2.305 9.414 1.00 0.00 C ATOM 1412 O PRO A 91 -11.717 3.035 8.676 1.00 0.00 O ATOM 1413 CB PRO A 91 -11.358 -0.134 9.924 1.00 0.00 C ATOM 1414 CG PRO A 91 -10.313 -0.445 10.939 1.00 0.00 C ATOM 1415 CD PRO A 91 -8.996 -0.351 10.220 1.00 0.00 C ATOM 0 HA PRO A 91 -11.030 0.807 7.953 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -12.253 0.277 10.391 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -11.663 -1.030 9.383 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -10.355 0.259 11.770 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.459 -1.441 11.357 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -8.204 0.007 10.877 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.678 -1.320 9.836 1.00 0.00 H new ATOM 1423 N GLU A 92 -10.614 2.689 10.607 1.00 0.00 N ATOM 1424 CA GLU A 92 -10.887 4.023 11.129 1.00 0.00 C ATOM 1425 C GLU A 92 -9.826 4.437 12.145 1.00 0.00 C ATOM 1426 O GLU A 92 -9.711 3.840 13.216 1.00 0.00 O ATOM 1427 CB GLU A 92 -12.273 4.068 11.775 1.00 0.00 C ATOM 1428 CG GLU A 92 -12.483 3.006 12.841 1.00 0.00 C ATOM 1429 CD GLU A 92 -13.933 2.884 13.267 1.00 0.00 C ATOM 1430 OE1 GLU A 92 -14.713 2.234 12.540 1.00 0.00 O ATOM 1431 OE2 GLU A 92 -14.288 3.441 14.327 1.00 0.00 O ATOM 0 H GLU A 92 -10.065 2.096 11.230 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.860 4.724 10.295 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.426 5.052 12.219 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.030 3.947 11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.137 2.044 12.463 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.872 3.245 13.711 1.00 0.00 H new ATOM 1438 N ILE A 93 -9.054 5.462 11.801 1.00 0.00 N ATOM 1439 CA ILE A 93 -8.003 5.956 12.682 1.00 0.00 C ATOM 1440 C ILE A 93 -8.399 7.284 13.319 1.00 0.00 C ATOM 1441 O ILE A 93 -9.507 7.779 13.109 1.00 0.00 O ATOM 1442 CB ILE A 93 -6.674 6.138 11.927 1.00 0.00 C ATOM 1443 CG1 ILE A 93 -6.592 5.161 10.752 1.00 0.00 C ATOM 1444 CG2 ILE A 93 -5.497 5.940 12.870 1.00 0.00 C ATOM 1445 CD1 ILE A 93 -7.256 5.673 9.493 1.00 0.00 C ATOM 0 H ILE A 93 -9.136 5.967 10.918 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.868 5.207 13.462 1.00 0.00 H new ATOM 0 HB ILE A 93 -6.633 7.154 11.534 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.544 4.948 10.540 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.057 4.218 11.041 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -4.565 6.072 12.321 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -5.550 6.671 13.676 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -5.532 4.934 13.289 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -7.159 4.929 8.702 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.312 5.859 9.689 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -6.776 6.600 9.180 1.00 0.00 H new ATOM 1457 N ASP A 94 -7.486 7.857 14.095 1.00 0.00 N ATOM 1458 CA ASP A 94 -7.738 9.130 14.761 1.00 0.00 C ATOM 1459 C ASP A 94 -7.265 10.296 13.899 1.00 0.00 C ATOM 1460 O ASP A 94 -6.731 11.281 14.408 1.00 0.00 O ATOM 1461 CB ASP A 94 -7.038 9.167 16.120 1.00 0.00 C ATOM 1462 CG ASP A 94 -7.859 8.510 17.212 1.00 0.00 C ATOM 1463 OD1 ASP A 94 -7.719 7.284 17.403 1.00 0.00 O ATOM 1464 OD2 ASP A 94 -8.641 9.222 17.876 1.00 0.00 O ATOM 0 H ASP A 94 -6.564 7.460 14.279 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.813 9.226 14.913 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.074 8.665 16.043 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.837 10.203 16.394 1.00 0.00 H new ATOM 1469 N VAL A 95 -7.465 10.178 12.590 1.00 0.00 N ATOM 1470 CA VAL A 95 -7.059 11.222 11.657 1.00 0.00 C ATOM 1471 C VAL A 95 -7.998 12.421 11.731 1.00 0.00 C ATOM 1472 O VAL A 95 -7.594 13.555 11.477 1.00 0.00 O ATOM 1473 CB VAL A 95 -7.027 10.699 10.209 1.00 0.00 C ATOM 1474 CG1 VAL A 95 -6.155 9.456 10.109 1.00 0.00 C ATOM 1475 CG2 VAL A 95 -8.436 10.412 9.714 1.00 0.00 C ATOM 0 H VAL A 95 -7.906 9.369 12.152 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.055 11.532 11.946 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.593 11.471 9.573 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.145 9.101 9.079 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.139 9.699 10.420 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.556 8.677 10.757 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.394 10.043 8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.899 9.659 10.352 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.026 11.328 9.746 1.00 0.00 H new ATOM 1485 N ASP A 96 -9.253 12.161 12.082 1.00 0.00 N ATOM 1486 CA ASP A 96 -10.250 13.219 12.192 1.00 0.00 C ATOM 1487 C ASP A 96 -9.911 14.170 13.336 1.00 0.00 C ATOM 1488 O ASP A 96 -10.101 15.380 13.227 1.00 0.00 O ATOM 1489 CB ASP A 96 -11.640 12.619 12.408 1.00 0.00 C ATOM 1490 CG ASP A 96 -11.766 11.915 13.745 1.00 0.00 C ATOM 1491 OD1 ASP A 96 -11.075 10.895 13.946 1.00 0.00 O ATOM 1492 OD2 ASP A 96 -12.556 12.385 14.590 1.00 0.00 O ATOM 0 H ASP A 96 -9.604 11.227 12.295 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.247 13.784 11.260 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -12.388 13.410 12.345 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -11.856 11.912 11.607 1.00 0.00 H new ATOM 1497 N GLU A 97 -9.407 13.612 14.433 1.00 0.00 N ATOM 1498 CA GLU A 97 -9.043 14.410 15.597 1.00 0.00 C ATOM 1499 C GLU A 97 -7.594 14.879 15.504 1.00 0.00 C ATOM 1500 O GLU A 97 -7.324 16.073 15.372 1.00 0.00 O ATOM 1501 CB GLU A 97 -9.248 13.604 16.881 1.00 0.00 C ATOM 1502 CG GLU A 97 -9.179 14.444 18.145 1.00 0.00 C ATOM 1503 CD GLU A 97 -9.267 13.607 19.407 1.00 0.00 C ATOM 1504 OE1 GLU A 97 -8.380 12.753 19.615 1.00 0.00 O ATOM 1505 OE2 GLU A 97 -10.223 13.806 20.186 1.00 0.00 O ATOM 0 H GLU A 97 -9.242 12.611 14.539 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.690 15.287 15.620 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.217 13.108 16.837 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -8.491 12.821 16.933 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.246 15.008 18.152 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -9.991 15.171 18.138 1.00 0.00 H new ATOM 1512 N ASP A 98 -6.666 13.931 15.574 1.00 0.00 N ATOM 1513 CA ASP A 98 -5.244 14.245 15.497 1.00 0.00 C ATOM 1514 C ASP A 98 -4.572 13.451 14.381 1.00 0.00 C ATOM 1515 O ASP A 98 -4.359 12.244 14.506 1.00 0.00 O ATOM 1516 CB ASP A 98 -4.562 13.950 16.833 1.00 0.00 C ATOM 1517 CG ASP A 98 -4.852 15.010 17.878 1.00 0.00 C ATOM 1518 OD1 ASP A 98 -5.998 15.058 18.371 1.00 0.00 O ATOM 1519 OD2 ASP A 98 -3.933 15.790 18.202 1.00 0.00 O ATOM 0 H ASP A 98 -6.873 12.938 15.684 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.143 15.307 15.274 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.896 12.980 17.201 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.485 13.880 16.680 1.00 0.00 H new ATOM 1524 N VAL A 99 -4.240 14.135 13.291 1.00 0.00 N ATOM 1525 CA VAL A 99 -3.592 13.493 12.154 1.00 0.00 C ATOM 1526 C VAL A 99 -2.074 13.605 12.251 1.00 0.00 C ATOM 1527 O VAL A 99 -1.355 12.629 12.038 1.00 0.00 O ATOM 1528 CB VAL A 99 -4.056 14.110 10.821 1.00 0.00 C ATOM 1529 CG1 VAL A 99 -3.745 15.599 10.785 1.00 0.00 C ATOM 1530 CG2 VAL A 99 -3.408 13.393 9.647 1.00 0.00 C ATOM 0 H VAL A 99 -4.409 15.134 13.171 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.879 12.442 12.179 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.136 13.987 10.740 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.080 16.018 9.836 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.262 16.099 11.605 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.670 15.749 10.889 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.748 13.842 8.714 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.324 13.482 9.719 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.687 12.340 9.665 1.00 0.00 H new ATOM 1540 N MET A 100 -1.594 14.801 12.575 1.00 0.00 N ATOM 1541 CA MET A 100 -0.161 15.040 12.702 1.00 0.00 C ATOM 1542 C MET A 100 0.354 14.549 14.052 1.00 0.00 C ATOM 1543 O MET A 100 -0.427 14.296 14.968 1.00 0.00 O ATOM 1544 CB MET A 100 0.146 16.530 12.537 1.00 0.00 C ATOM 1545 CG MET A 100 -0.553 17.411 13.560 1.00 0.00 C ATOM 1546 SD MET A 100 -0.476 19.162 13.135 1.00 0.00 S ATOM 1547 CE MET A 100 -1.884 19.306 12.037 1.00 0.00 C ATOM 0 H MET A 100 -2.176 15.619 12.754 1.00 0.00 H new ATOM 0 HA MET A 100 0.346 14.483 11.915 1.00 0.00 H new ATOM 0 HB2 MET A 100 1.223 16.682 12.614 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.149 16.845 11.536 1.00 0.00 H new ATOM 0 HG2 MET A 100 -1.596 17.107 13.644 1.00 0.00 H new ATOM 0 HG3 MET A 100 -0.097 17.258 14.538 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.718 20.126 11.338 1.00 0.00 H new ATOM 0 HE2 MET A 100 -2.010 18.376 11.482 1.00 0.00 H new ATOM 0 HE3 MET A 100 -2.782 19.504 12.622 1.00 0.00 H new ATOM 1557 N GLU A 101 1.672 14.418 14.165 1.00 0.00 N ATOM 1558 CA GLU A 101 2.289 13.956 15.403 1.00 0.00 C ATOM 1559 C GLU A 101 2.992 15.104 16.121 1.00 0.00 C ATOM 1560 O GLU A 101 4.075 14.931 16.682 1.00 0.00 O ATOM 1561 CB GLU A 101 3.287 12.833 15.113 1.00 0.00 C ATOM 1562 CG GLU A 101 4.351 13.212 14.096 1.00 0.00 C ATOM 1563 CD GLU A 101 5.432 12.157 13.962 1.00 0.00 C ATOM 1564 OE1 GLU A 101 5.098 10.955 14.029 1.00 0.00 O ATOM 1565 OE2 GLU A 101 6.610 12.532 13.789 1.00 0.00 O ATOM 0 H GLU A 101 2.332 14.625 13.416 1.00 0.00 H new ATOM 0 HA GLU A 101 1.501 13.573 16.051 1.00 0.00 H new ATOM 0 HB2 GLU A 101 3.773 12.541 16.044 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.744 11.960 14.750 1.00 0.00 H new ATOM 0 HG2 GLU A 101 3.881 13.370 13.126 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.806 14.158 14.388 1.00 0.00 H new ATOM 1572 N THR A 102 2.369 16.278 16.099 1.00 0.00 N ATOM 1573 CA THR A 102 2.935 17.455 16.746 1.00 0.00 C ATOM 1574 C THR A 102 1.990 18.006 17.809 1.00 0.00 C ATOM 1575 O THR A 102 0.783 17.771 17.762 1.00 0.00 O ATOM 1576 CB THR A 102 3.241 18.566 15.723 1.00 0.00 C ATOM 1577 OG1 THR A 102 2.052 18.911 15.004 1.00 0.00 O ATOM 1578 CG2 THR A 102 4.319 18.119 14.747 1.00 0.00 C ATOM 0 H THR A 102 1.472 16.439 15.640 1.00 0.00 H new ATOM 0 HA THR A 102 3.865 17.139 17.218 1.00 0.00 H new ATOM 0 HB THR A 102 3.603 19.440 16.265 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.255 19.619 14.357 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.519 18.919 14.034 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.232 17.885 15.295 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.980 17.232 14.212 1.00 0.00 H new ATOM 1586 N VAL A 103 2.548 18.739 18.767 1.00 0.00 N ATOM 1587 CA VAL A 103 1.755 19.325 19.841 1.00 0.00 C ATOM 1588 C VAL A 103 1.550 20.820 19.620 1.00 0.00 C ATOM 1589 O VAL A 103 2.490 21.544 19.294 1.00 0.00 O ATOM 1590 CB VAL A 103 2.419 19.106 21.213 1.00 0.00 C ATOM 1591 CG1 VAL A 103 3.755 19.830 21.281 1.00 0.00 C ATOM 1592 CG2 VAL A 103 1.496 19.566 22.331 1.00 0.00 C ATOM 0 H VAL A 103 3.546 18.941 18.821 1.00 0.00 H new ATOM 0 HA VAL A 103 0.787 18.823 19.830 1.00 0.00 H new ATOM 0 HB VAL A 103 2.604 18.040 21.342 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.210 19.664 22.258 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.416 19.448 20.503 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.598 20.898 21.131 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.981 19.404 23.293 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.277 20.627 22.209 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.567 18.997 22.293 1.00 0.00 H new ATOM 1602 N SER A 104 0.314 21.275 19.801 1.00 0.00 N ATOM 1603 CA SER A 104 -0.016 22.683 19.619 1.00 0.00 C ATOM 1604 C SER A 104 -1.420 22.984 20.136 1.00 0.00 C ATOM 1605 O SER A 104 -2.398 22.384 19.694 1.00 0.00 O ATOM 1606 CB SER A 104 0.088 23.066 18.141 1.00 0.00 C ATOM 1607 OG SER A 104 -0.898 22.401 17.372 1.00 0.00 O ATOM 0 H SER A 104 -0.475 20.689 20.073 1.00 0.00 H new ATOM 0 HA SER A 104 0.698 23.275 20.192 1.00 0.00 H new ATOM 0 HB2 SER A 104 -0.028 24.144 18.032 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.079 22.812 17.765 1.00 0.00 H new ATOM 0 HG SER A 104 -1.620 22.094 17.960 1.00 0.00 H new ATOM 1613 N GLY A 105 -1.509 23.919 21.078 1.00 0.00 N ATOM 1614 CA GLY A 105 -2.796 24.284 21.641 1.00 0.00 C ATOM 1615 C GLY A 105 -2.747 24.433 23.148 1.00 0.00 C ATOM 1616 O GLY A 105 -3.223 23.577 23.894 1.00 0.00 O ATOM 0 H GLY A 105 -0.713 24.430 21.461 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.131 25.221 21.197 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -3.533 23.525 21.378 1.00 0.00 H new ATOM 1620 N PRO A 106 -2.159 25.544 23.618 1.00 0.00 N ATOM 1621 CA PRO A 106 -2.035 25.828 25.051 1.00 0.00 C ATOM 1622 C PRO A 106 -3.378 26.149 25.696 1.00 0.00 C ATOM 1623 O PRO A 106 -4.211 26.840 25.109 1.00 0.00 O ATOM 1624 CB PRO A 106 -1.116 27.052 25.091 1.00 0.00 C ATOM 1625 CG PRO A 106 -1.309 27.714 23.770 1.00 0.00 C ATOM 1626 CD PRO A 106 -1.570 26.607 22.787 1.00 0.00 C ATOM 0 HA PRO A 106 -1.651 24.971 25.605 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -1.381 27.720 25.911 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -0.076 26.762 25.240 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -2.145 28.413 23.802 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -0.426 28.287 23.488 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -2.251 26.923 21.997 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.652 26.276 22.302 1.00 0.00 H new ATOM 1634 N SER A 107 -3.583 25.643 26.908 1.00 0.00 N ATOM 1635 CA SER A 107 -4.828 25.874 27.633 1.00 0.00 C ATOM 1636 C SER A 107 -4.605 25.780 29.139 1.00 0.00 C ATOM 1637 O SER A 107 -3.507 25.465 29.597 1.00 0.00 O ATOM 1638 CB SER A 107 -5.890 24.862 27.199 1.00 0.00 C ATOM 1639 OG SER A 107 -5.426 23.533 27.366 1.00 0.00 O ATOM 0 H SER A 107 -2.903 25.071 27.409 1.00 0.00 H new ATOM 0 HA SER A 107 -5.176 26.880 27.397 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.798 25.010 27.784 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.152 25.031 26.155 1.00 0.00 H new ATOM 0 HG SER A 107 -6.123 22.905 27.083 1.00 0.00 H new ATOM 1645 N SER A 108 -5.656 26.058 29.905 1.00 0.00 N ATOM 1646 CA SER A 108 -5.575 26.009 31.360 1.00 0.00 C ATOM 1647 C SER A 108 -4.381 26.813 31.865 1.00 0.00 C ATOM 1648 O SER A 108 -3.643 26.365 32.741 1.00 0.00 O ATOM 1649 CB SER A 108 -5.468 24.560 31.838 1.00 0.00 C ATOM 1650 OG SER A 108 -6.750 23.973 31.979 1.00 0.00 O ATOM 0 H SER A 108 -6.573 26.319 29.542 1.00 0.00 H new ATOM 0 HA SER A 108 -6.486 26.451 31.765 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.876 23.982 31.128 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.942 24.527 32.792 1.00 0.00 H new ATOM 0 HG SER A 108 -6.654 23.047 32.284 1.00 0.00 H new ATOM 1656 N GLY A 109 -4.198 28.005 31.304 1.00 0.00 N ATOM 1657 CA GLY A 109 -3.092 28.853 31.709 1.00 0.00 C ATOM 1658 C GLY A 109 -3.393 30.327 31.522 1.00 0.00 C ATOM 1659 O GLY A 109 -2.482 31.153 31.484 1.00 0.00 O ATOM 0 H GLY A 109 -4.796 28.398 30.577 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.857 28.663 32.756 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -2.206 28.590 31.131 1.00 0.00 H new TER 1663 GLY A 109