USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 712 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 ASN : amide:sc= -0.622 K(o=-0.62,f=-4.1!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0198 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -168:sc= 0.733 (180deg=0.64) USER MOD Single : A 22 ASN : amide:sc= -1.09 K(o=-1.1,f=-4!) USER MOD Single : A 23 TYR OH : rot -57:sc= 0.473 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 26 LYS NZ :NH3+ -155:sc= 1.2 (180deg=0.91) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc=-0.00646 K(o=-0.0065,f=-1.5) USER MOD Single : A 30 SER OG : rot 39:sc= 0.0115 USER MOD Single : A 37 SER OG : rot 54:sc= 1.2 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.112 K(o=-0.11,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 1.43 (180deg=1) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 117:sc= 2.02 USER MOD Single : A 91 SER OG : rot -151:sc= 0.984 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0554) USER MOD Single : A 98 THR OG1 : rot 112:sc= 0.626 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc=-0.00202 X(o=-0.002,f=-0.23) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 37:sc= 0.893 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0797 USER MOD ----------------------------------------------------------------- ATOM 27 N ILE A 3 8.116 -0.609 10.682 1.00 0.00 N ATOM 28 CA ILE A 3 6.686 -0.862 10.631 1.00 0.00 C ATOM 29 C ILE A 3 6.283 -1.198 9.194 1.00 0.00 C ATOM 30 O ILE A 3 6.467 -0.386 8.288 1.00 0.00 O ATOM 31 CB ILE A 3 5.912 0.314 11.228 1.00 0.00 C ATOM 32 CG1 ILE A 3 6.158 0.426 12.734 1.00 0.00 C ATOM 33 CG2 ILE A 3 4.421 0.214 10.898 1.00 0.00 C ATOM 34 CD1 ILE A 3 5.281 -0.560 13.508 1.00 0.00 C ATOM 0 HA ILE A 3 6.430 -1.726 11.244 1.00 0.00 H new ATOM 0 HB ILE A 3 6.283 1.232 10.772 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.208 0.231 12.950 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.948 1.443 13.066 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.894 1.063 11.334 1.00 0.00 H new ATOM 0 HG22 ILE A 3 4.287 0.221 9.816 1.00 0.00 H new ATOM 0 HG23 ILE A 3 4.019 -0.713 11.308 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.476 -0.460 14.576 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.231 -0.347 13.309 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.511 -1.577 13.191 1.00 0.00 H new ATOM 46 N ASN A 4 5.741 -2.396 9.029 1.00 0.00 N ATOM 47 CA ASN A 4 5.446 -2.907 7.702 1.00 0.00 C ATOM 48 C ASN A 4 4.396 -4.015 7.809 1.00 0.00 C ATOM 49 O ASN A 4 4.456 -5.004 7.080 1.00 0.00 O ATOM 50 CB ASN A 4 6.696 -3.502 7.049 1.00 0.00 C ATOM 51 CG ASN A 4 7.167 -4.747 7.802 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.850 -4.961 8.961 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.940 -5.554 7.082 1.00 0.00 N ATOM 0 H ASN A 4 5.499 -3.027 9.793 1.00 0.00 H new ATOM 0 HA ASN A 4 5.082 -2.078 7.095 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.481 -3.759 6.012 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.493 -2.758 7.035 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.306 -6.412 7.495 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.167 -5.315 6.117 1.00 0.00 H new ATOM 60 N THR A 5 3.459 -3.812 8.723 1.00 0.00 N ATOM 61 CA THR A 5 2.394 -4.778 8.931 1.00 0.00 C ATOM 62 C THR A 5 1.031 -4.137 8.664 1.00 0.00 C ATOM 63 O THR A 5 0.930 -2.918 8.533 1.00 0.00 O ATOM 64 CB THR A 5 2.534 -5.338 10.348 1.00 0.00 C ATOM 65 OG1 THR A 5 2.482 -4.185 11.184 1.00 0.00 O ATOM 66 CG2 THR A 5 3.922 -5.926 10.611 1.00 0.00 C ATOM 0 H THR A 5 3.415 -2.992 9.328 1.00 0.00 H new ATOM 0 HA THR A 5 2.471 -5.608 8.228 1.00 0.00 H new ATOM 0 HB THR A 5 1.778 -6.106 10.511 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.564 -4.457 12.122 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.968 -6.309 11.630 1.00 0.00 H new ATOM 0 HG22 THR A 5 4.112 -6.738 9.909 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.676 -5.150 10.481 1.00 0.00 H new ATOM 74 N PHE A 6 0.017 -4.986 8.590 1.00 0.00 N ATOM 75 CA PHE A 6 -1.324 -4.525 8.272 1.00 0.00 C ATOM 76 C PHE A 6 -1.841 -3.563 9.344 1.00 0.00 C ATOM 77 O PHE A 6 -2.353 -2.491 9.025 1.00 0.00 O ATOM 78 CB PHE A 6 -2.225 -5.761 8.237 1.00 0.00 C ATOM 79 CG PHE A 6 -1.962 -6.689 7.048 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.312 -6.301 5.793 1.00 0.00 C ATOM 81 CD2 PHE A 6 -1.379 -7.901 7.248 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.068 -7.162 4.690 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.135 -8.762 6.145 1.00 0.00 C ATOM 84 CZ PHE A 6 -1.484 -8.374 4.890 1.00 0.00 C ATOM 0 H PHE A 6 0.097 -5.991 8.745 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.320 -3.997 7.318 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.089 -6.323 9.161 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.266 -5.439 8.210 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.775 -5.338 5.635 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.102 -8.209 8.245 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.346 -6.854 3.693 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.672 -9.725 6.304 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.298 -9.028 4.051 1.00 0.00 H new ATOM 94 N ASP A 7 -1.688 -3.980 10.592 1.00 0.00 N ATOM 95 CA ASP A 7 -2.167 -3.185 11.710 1.00 0.00 C ATOM 96 C ASP A 7 -1.228 -1.996 11.924 1.00 0.00 C ATOM 97 O ASP A 7 -1.675 -0.899 12.253 1.00 0.00 O ATOM 98 CB ASP A 7 -2.189 -4.008 13.000 1.00 0.00 C ATOM 99 CG ASP A 7 -3.029 -5.285 12.939 1.00 0.00 C ATOM 100 OD1 ASP A 7 -2.454 -6.324 12.549 1.00 0.00 O ATOM 101 OD2 ASP A 7 -4.227 -5.193 13.283 1.00 0.00 O ATOM 0 H ASP A 7 -1.239 -4.858 10.854 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.178 -2.850 11.478 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.165 -4.277 13.259 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.567 -3.381 13.807 1.00 0.00 H new ATOM 106 N GLY A 8 0.057 -2.255 11.727 1.00 0.00 N ATOM 107 CA GLY A 8 1.077 -1.275 12.061 1.00 0.00 C ATOM 108 C GLY A 8 0.987 -0.056 11.141 1.00 0.00 C ATOM 109 O GLY A 8 1.010 1.082 11.608 1.00 0.00 O ATOM 0 H GLY A 8 0.415 -3.129 11.341 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.960 -0.962 13.098 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.064 -1.728 11.975 1.00 0.00 H new ATOM 113 N VAL A 9 0.888 -0.335 9.849 1.00 0.00 N ATOM 114 CA VAL A 9 0.799 0.725 8.859 1.00 0.00 C ATOM 115 C VAL A 9 -0.536 1.455 9.018 1.00 0.00 C ATOM 116 O VAL A 9 -0.594 2.680 8.919 1.00 0.00 O ATOM 117 CB VAL A 9 1.003 0.149 7.457 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.723 1.205 6.385 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.410 -0.431 7.301 1.00 0.00 C ATOM 0 H VAL A 9 0.867 -1.280 9.465 1.00 0.00 H new ATOM 0 HA VAL A 9 1.590 1.459 9.012 1.00 0.00 H new ATOM 0 HB VAL A 9 0.290 -0.664 7.322 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.875 0.770 5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.307 1.550 6.475 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.401 2.048 6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.528 -0.834 6.295 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.148 0.354 7.466 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.558 -1.227 8.030 1.00 0.00 H new ATOM 129 N ALA A 10 -1.576 0.672 9.262 1.00 0.00 N ATOM 130 CA ALA A 10 -2.908 1.228 9.432 1.00 0.00 C ATOM 131 C ALA A 10 -2.878 2.282 10.540 1.00 0.00 C ATOM 132 O ALA A 10 -3.516 3.328 10.425 1.00 0.00 O ATOM 133 CB ALA A 10 -3.899 0.100 9.726 1.00 0.00 C ATOM 0 H ALA A 10 -1.524 -0.343 9.346 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.238 1.721 8.517 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.898 0.517 9.853 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.904 -0.606 8.895 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.602 -0.416 10.639 1.00 0.00 H new ATOM 139 N ASP A 11 -2.131 1.971 11.589 1.00 0.00 N ATOM 140 CA ASP A 11 -2.044 2.859 12.736 1.00 0.00 C ATOM 141 C ASP A 11 -1.404 4.180 12.304 1.00 0.00 C ATOM 142 O ASP A 11 -1.916 5.254 12.618 1.00 0.00 O ATOM 143 CB ASP A 11 -1.175 2.251 13.838 1.00 0.00 C ATOM 144 CG ASP A 11 -1.937 1.786 15.080 1.00 0.00 C ATOM 145 OD1 ASP A 11 -2.456 0.650 15.035 1.00 0.00 O ATOM 146 OD2 ASP A 11 -1.985 2.578 16.047 1.00 0.00 O ATOM 0 H ASP A 11 -1.580 1.116 11.669 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.052 3.017 13.118 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.632 1.401 13.424 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -0.431 2.988 14.141 1.00 0.00 H new ATOM 151 N TYR A 12 -0.294 4.058 11.591 1.00 0.00 N ATOM 152 CA TYR A 12 0.501 5.222 11.238 1.00 0.00 C ATOM 153 C TYR A 12 -0.291 6.173 10.337 1.00 0.00 C ATOM 154 O TYR A 12 -0.158 7.391 10.446 1.00 0.00 O ATOM 155 CB TYR A 12 1.707 4.690 10.462 1.00 0.00 C ATOM 156 CG TYR A 12 2.961 4.496 11.317 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.919 3.679 12.428 1.00 0.00 C ATOM 158 CD2 TYR A 12 4.134 5.139 10.977 1.00 0.00 C ATOM 159 CE1 TYR A 12 4.099 3.496 13.233 1.00 0.00 C ATOM 160 CE2 TYR A 12 5.314 4.957 11.782 1.00 0.00 C ATOM 161 CZ TYR A 12 5.238 4.144 12.870 1.00 0.00 C ATOM 162 OH TYR A 12 6.353 3.972 13.630 1.00 0.00 O ATOM 0 H TYR A 12 0.074 3.171 11.248 1.00 0.00 H new ATOM 0 HA TYR A 12 0.790 5.775 12.132 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.440 3.737 10.005 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.937 5.380 9.650 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.001 3.176 12.694 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.167 5.779 10.107 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.080 2.859 14.105 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.238 5.455 11.528 1.00 0.00 H new ATOM 0 HH TYR A 12 7.091 4.494 13.251 1.00 0.00 H new ATOM 172 N LEU A 13 -1.097 5.581 9.468 1.00 0.00 N ATOM 173 CA LEU A 13 -1.996 6.357 8.632 1.00 0.00 C ATOM 174 C LEU A 13 -2.916 7.196 9.521 1.00 0.00 C ATOM 175 O LEU A 13 -2.921 8.423 9.432 1.00 0.00 O ATOM 176 CB LEU A 13 -2.746 5.444 7.660 1.00 0.00 C ATOM 177 CG LEU A 13 -1.958 4.979 6.433 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.278 3.521 6.097 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.200 5.908 5.242 1.00 0.00 C ATOM 0 H LEU A 13 -1.146 4.572 9.325 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.432 7.052 8.010 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.083 4.563 8.206 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.639 5.967 7.317 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.895 5.029 6.670 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.705 3.215 5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.014 2.886 6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.343 3.421 5.887 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.629 5.555 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.261 5.913 4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.883 6.919 5.499 1.00 0.00 H new ATOM 191 N ILE A 14 -3.671 6.501 10.359 1.00 0.00 N ATOM 192 CA ILE A 14 -4.670 7.157 11.185 1.00 0.00 C ATOM 193 C ILE A 14 -4.006 8.275 11.991 1.00 0.00 C ATOM 194 O ILE A 14 -4.569 9.359 12.137 1.00 0.00 O ATOM 195 CB ILE A 14 -5.408 6.132 12.048 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.379 5.302 11.205 1.00 0.00 C ATOM 197 CG2 ILE A 14 -6.109 6.810 13.228 1.00 0.00 C ATOM 198 CD1 ILE A 14 -7.688 6.060 10.972 1.00 0.00 C ATOM 0 H ILE A 14 -3.611 5.490 10.484 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.433 7.623 10.562 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.672 5.443 12.463 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.919 5.060 10.247 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.586 4.357 11.707 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.626 6.058 13.825 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.370 7.319 13.846 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.831 7.536 12.854 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.360 5.448 10.370 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -8.157 6.279 11.931 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.480 6.993 10.448 1.00 0.00 H new ATOM 210 N ARG A 15 -2.818 7.973 12.494 1.00 0.00 N ATOM 211 CA ARG A 15 -2.167 8.848 13.454 1.00 0.00 C ATOM 212 C ARG A 15 -1.614 10.089 12.752 1.00 0.00 C ATOM 213 O ARG A 15 -2.075 11.203 12.998 1.00 0.00 O ATOM 214 CB ARG A 15 -1.025 8.125 14.172 1.00 0.00 C ATOM 215 CG ARG A 15 -0.909 8.591 15.625 1.00 0.00 C ATOM 216 CD ARG A 15 0.191 7.823 16.361 1.00 0.00 C ATOM 217 NE ARG A 15 -0.185 6.397 16.486 1.00 0.00 N ATOM 218 CZ ARG A 15 0.680 5.413 16.767 1.00 0.00 C ATOM 219 NH1 ARG A 15 1.947 5.708 17.089 1.00 0.00 N ATOM 220 NH2 ARG A 15 0.279 4.135 16.726 1.00 0.00 N ATOM 0 H ARG A 15 -2.289 7.134 12.255 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.914 9.146 14.190 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.196 7.049 14.144 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -0.086 8.312 13.650 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.692 9.659 15.652 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.862 8.446 16.134 1.00 0.00 H new ATOM 0 HD2 ARG A 15 1.133 7.913 15.820 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.348 8.254 17.350 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.165 6.147 16.350 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.252 6.681 17.120 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.606 4.960 17.303 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.685 3.911 16.481 1.00 0.00 H new ATOM 0 HH22 ARG A 15 0.938 3.387 16.940 1.00 0.00 H new ATOM 234 N TYR A 16 -0.634 9.856 11.892 1.00 0.00 N ATOM 235 CA TYR A 16 0.160 10.945 11.349 1.00 0.00 C ATOM 236 C TYR A 16 -0.448 11.473 10.049 1.00 0.00 C ATOM 237 O TYR A 16 -0.012 12.497 9.526 1.00 0.00 O ATOM 238 CB TYR A 16 1.539 10.353 11.050 1.00 0.00 C ATOM 239 CG TYR A 16 2.206 9.688 12.255 1.00 0.00 C ATOM 240 CD1 TYR A 16 2.481 10.428 13.387 1.00 0.00 C ATOM 241 CD2 TYR A 16 2.533 8.348 12.211 1.00 0.00 C ATOM 242 CE1 TYR A 16 3.109 9.802 14.522 1.00 0.00 C ATOM 243 CE2 TYR A 16 3.161 7.722 13.346 1.00 0.00 C ATOM 244 CZ TYR A 16 3.418 8.480 14.445 1.00 0.00 C ATOM 245 OH TYR A 16 4.011 7.889 15.517 1.00 0.00 O ATOM 0 H TYR A 16 -0.371 8.929 11.558 1.00 0.00 H new ATOM 0 HA TYR A 16 0.205 11.775 12.054 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.442 9.619 10.250 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.190 11.144 10.679 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.225 11.477 13.422 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.318 7.769 11.325 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.329 10.370 15.414 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.422 6.674 13.325 1.00 0.00 H new ATOM 0 HH TYR A 16 4.173 6.943 15.321 1.00 0.00 H new ATOM 255 N LYS A 17 -1.447 10.749 9.564 1.00 0.00 N ATOM 256 CA LYS A 17 -2.091 11.107 8.311 1.00 0.00 C ATOM 257 C LYS A 17 -1.075 11.003 7.172 1.00 0.00 C ATOM 258 O LYS A 17 -1.049 11.848 6.279 1.00 0.00 O ATOM 259 CB LYS A 17 -2.751 12.483 8.422 1.00 0.00 C ATOM 260 CG LYS A 17 -3.615 12.576 9.682 1.00 0.00 C ATOM 261 CD LYS A 17 -4.749 11.550 9.647 1.00 0.00 C ATOM 262 CE LYS A 17 -5.805 11.863 10.708 1.00 0.00 C ATOM 263 NZ LYS A 17 -6.728 10.718 10.875 1.00 0.00 N ATOM 0 H LYS A 17 -1.826 9.917 10.016 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.897 10.409 8.084 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.984 13.257 8.444 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.365 12.668 7.541 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.997 12.410 10.564 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.031 13.580 9.769 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.211 11.547 8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.346 10.551 9.814 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.319 12.088 11.658 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.367 12.751 10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.550 11.014 11.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.049 10.392 9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.235 9.942 11.361 1.00 0.00 H new ATOM 277 N ARG A 18 -0.262 9.958 7.240 1.00 0.00 N ATOM 278 CA ARG A 18 0.585 9.595 6.117 1.00 0.00 C ATOM 279 C ARG A 18 1.113 8.169 6.291 1.00 0.00 C ATOM 280 O ARG A 18 0.970 7.576 7.359 1.00 0.00 O ATOM 281 CB ARG A 18 1.767 10.557 5.984 1.00 0.00 C ATOM 282 CG ARG A 18 2.365 10.884 7.355 1.00 0.00 C ATOM 283 CD ARG A 18 3.687 11.639 7.210 1.00 0.00 C ATOM 284 NE ARG A 18 4.751 10.715 6.759 1.00 0.00 N ATOM 285 CZ ARG A 18 5.476 9.945 7.582 1.00 0.00 C ATOM 286 NH1 ARG A 18 5.153 9.862 8.880 1.00 0.00 N ATOM 287 NH2 ARG A 18 6.525 9.259 7.108 1.00 0.00 N ATOM 0 H ARG A 18 -0.172 9.352 8.055 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.020 9.655 5.212 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.532 10.113 5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.440 11.476 5.497 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.660 11.485 7.929 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.528 9.962 7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.574 12.453 6.494 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.965 12.089 8.163 1.00 0.00 H new ATOM 0 HE ARG A 18 4.945 10.661 5.759 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.355 10.385 9.241 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.705 9.276 9.506 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.772 9.323 6.120 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.077 8.673 7.735 1.00 0.00 H new ATOM 301 N LEU A 19 1.714 7.661 5.225 1.00 0.00 N ATOM 302 CA LEU A 19 2.446 6.408 5.304 1.00 0.00 C ATOM 303 C LEU A 19 3.659 6.589 6.219 1.00 0.00 C ATOM 304 O LEU A 19 4.027 7.714 6.552 1.00 0.00 O ATOM 305 CB LEU A 19 2.801 5.906 3.903 1.00 0.00 C ATOM 306 CG LEU A 19 1.656 5.280 3.105 1.00 0.00 C ATOM 307 CD1 LEU A 19 2.093 4.967 1.672 1.00 0.00 C ATOM 308 CD2 LEU A 19 1.103 4.044 3.817 1.00 0.00 C ATOM 0 H LEU A 19 1.709 8.094 4.302 1.00 0.00 H new ATOM 0 HA LEU A 19 1.825 5.630 5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.202 6.742 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.599 5.169 3.994 1.00 0.00 H new ATOM 0 HG LEU A 19 0.846 6.007 3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.260 4.523 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.402 5.887 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.929 4.267 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.290 3.618 3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.895 3.304 3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.729 4.328 4.801 1.00 0.00 H new ATOM 320 N PRO A 20 4.262 5.434 6.609 1.00 0.00 N ATOM 321 CA PRO A 20 5.604 5.441 7.165 1.00 0.00 C ATOM 322 C PRO A 20 6.650 5.658 6.069 1.00 0.00 C ATOM 323 O PRO A 20 6.324 5.642 4.883 1.00 0.00 O ATOM 324 CB PRO A 20 5.747 4.099 7.865 1.00 0.00 C ATOM 325 CG PRO A 20 4.661 3.208 7.284 1.00 0.00 C ATOM 326 CD PRO A 20 3.683 4.095 6.531 1.00 0.00 C ATOM 0 HA PRO A 20 5.765 6.260 7.866 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.735 3.672 7.694 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.629 4.206 8.943 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.095 2.464 6.615 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.149 2.663 8.077 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.571 3.772 5.496 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.692 4.065 6.983 1.00 0.00 H new ATOM 334 N ASP A 21 7.885 5.854 6.506 1.00 0.00 N ATOM 335 CA ASP A 21 8.932 6.312 5.608 1.00 0.00 C ATOM 336 C ASP A 21 9.584 5.104 4.933 1.00 0.00 C ATOM 337 O ASP A 21 10.523 5.255 4.154 1.00 0.00 O ATOM 338 CB ASP A 21 10.020 7.071 6.372 1.00 0.00 C ATOM 339 CG ASP A 21 11.125 7.669 5.499 1.00 0.00 C ATOM 340 OD1 ASP A 21 10.859 8.731 4.896 1.00 0.00 O ATOM 341 OD2 ASP A 21 12.210 7.052 5.455 1.00 0.00 O ATOM 0 H ASP A 21 8.184 5.704 7.469 1.00 0.00 H new ATOM 0 HA ASP A 21 8.478 6.976 4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.551 7.875 6.940 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.475 6.394 7.095 1.00 0.00 H new ATOM 346 N ASN A 22 9.060 3.931 5.257 1.00 0.00 N ATOM 347 CA ASN A 22 9.643 2.691 4.774 1.00 0.00 C ATOM 348 C ASN A 22 9.020 2.331 3.424 1.00 0.00 C ATOM 349 O ASN A 22 9.223 1.229 2.918 1.00 0.00 O ATOM 350 CB ASN A 22 9.370 1.540 5.744 1.00 0.00 C ATOM 351 CG ASN A 22 7.910 1.088 5.662 1.00 0.00 C ATOM 352 OD1 ASN A 22 7.002 1.874 5.445 1.00 0.00 O ATOM 353 ND2 ASN A 22 7.737 -0.217 5.847 1.00 0.00 N ATOM 0 H ASN A 22 8.237 3.813 5.849 1.00 0.00 H new ATOM 0 HA ASN A 22 10.719 2.837 4.682 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.027 0.702 5.513 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.600 1.855 6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.799 -0.617 5.811 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.542 -0.818 6.024 1.00 0.00 H new ATOM 360 N TYR A 23 8.274 3.281 2.881 1.00 0.00 N ATOM 361 CA TYR A 23 7.737 3.135 1.539 1.00 0.00 C ATOM 362 C TYR A 23 8.150 4.311 0.651 1.00 0.00 C ATOM 363 O TYR A 23 7.903 5.467 0.993 1.00 0.00 O ATOM 364 CB TYR A 23 6.214 3.136 1.691 1.00 0.00 C ATOM 365 CG TYR A 23 5.672 1.978 2.530 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.188 0.708 2.369 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.667 2.202 3.448 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.678 -0.382 3.159 1.00 0.00 C ATOM 369 CE2 TYR A 23 4.156 1.112 4.238 1.00 0.00 C ATOM 370 CZ TYR A 23 4.687 -0.127 4.055 1.00 0.00 C ATOM 371 OH TYR A 23 4.205 -1.157 4.801 1.00 0.00 O ATOM 0 H TYR A 23 8.029 4.155 3.346 1.00 0.00 H new ATOM 0 HA TYR A 23 8.110 2.222 1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.905 4.077 2.147 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.760 3.097 0.701 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.975 0.532 1.650 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.263 3.196 3.574 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.074 -1.380 3.043 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.369 1.274 4.960 1.00 0.00 H new ATOM 0 HH TYR A 23 3.875 -1.864 4.208 1.00 0.00 H new ATOM 381 N ILE A 24 8.771 3.976 -0.470 1.00 0.00 N ATOM 382 CA ILE A 24 8.927 4.931 -1.553 1.00 0.00 C ATOM 383 C ILE A 24 7.936 4.597 -2.669 1.00 0.00 C ATOM 384 O ILE A 24 7.366 3.507 -2.693 1.00 0.00 O ATOM 385 CB ILE A 24 10.384 4.980 -2.019 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.836 3.617 -2.548 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.299 5.494 -0.906 1.00 0.00 C ATOM 388 CD1 ILE A 24 12.066 3.758 -3.447 1.00 0.00 C ATOM 0 H ILE A 24 9.172 3.056 -0.652 1.00 0.00 H new ATOM 0 HA ILE A 24 8.692 5.938 -1.209 1.00 0.00 H new ATOM 0 HB ILE A 24 10.454 5.687 -2.846 1.00 0.00 H new ATOM 0 HG12 ILE A 24 11.066 2.957 -1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.024 3.152 -3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.328 5.519 -1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.991 6.499 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.230 4.831 -0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.366 2.775 -3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.825 4.399 -4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.884 4.200 -2.878 1.00 0.00 H new ATOM 400 N THR A 25 7.759 5.555 -3.567 1.00 0.00 N ATOM 401 CA THR A 25 6.808 5.397 -4.654 1.00 0.00 C ATOM 402 C THR A 25 7.445 4.626 -5.812 1.00 0.00 C ATOM 403 O THR A 25 8.666 4.501 -5.881 1.00 0.00 O ATOM 404 CB THR A 25 6.309 6.787 -5.052 1.00 0.00 C ATOM 405 OG1 THR A 25 7.426 7.639 -4.815 1.00 0.00 O ATOM 406 CG2 THR A 25 5.230 7.315 -4.103 1.00 0.00 C ATOM 0 H THR A 25 8.259 6.444 -3.564 1.00 0.00 H new ATOM 0 HA THR A 25 5.948 4.804 -4.343 1.00 0.00 H new ATOM 0 HB THR A 25 5.915 6.754 -6.068 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.190 8.561 -5.049 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.910 8.304 -4.430 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.376 6.637 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.634 7.380 -3.093 1.00 0.00 H new ATOM 414 N LYS A 26 6.588 4.129 -6.692 1.00 0.00 N ATOM 415 CA LYS A 26 7.054 3.410 -7.866 1.00 0.00 C ATOM 416 C LYS A 26 8.045 4.285 -8.635 1.00 0.00 C ATOM 417 O LYS A 26 9.074 3.800 -9.103 1.00 0.00 O ATOM 418 CB LYS A 26 5.868 2.937 -8.709 1.00 0.00 C ATOM 419 CG LYS A 26 5.065 1.863 -7.973 1.00 0.00 C ATOM 420 CD LYS A 26 3.675 1.697 -8.591 1.00 0.00 C ATOM 421 CE LYS A 26 2.799 0.782 -7.734 1.00 0.00 C ATOM 422 NZ LYS A 26 1.399 0.808 -8.212 1.00 0.00 N ATOM 0 H LYS A 26 5.574 4.210 -6.616 1.00 0.00 H new ATOM 0 HA LYS A 26 7.588 2.506 -7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.222 3.784 -8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.228 2.540 -9.658 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.600 0.914 -8.012 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.969 2.132 -6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.199 2.672 -8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.767 1.282 -9.595 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.183 -0.237 -7.771 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.840 1.101 -6.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.761 0.557 -7.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.167 1.762 -8.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.284 0.123 -8.986 1.00 0.00 H new ATOM 436 N SER A 27 7.701 5.560 -8.742 1.00 0.00 N ATOM 437 CA SER A 27 8.478 6.480 -9.556 1.00 0.00 C ATOM 438 C SER A 27 9.921 6.534 -9.051 1.00 0.00 C ATOM 439 O SER A 27 10.860 6.560 -9.846 1.00 0.00 O ATOM 440 CB SER A 27 7.860 7.879 -9.548 1.00 0.00 C ATOM 441 OG SER A 27 6.507 7.868 -9.992 1.00 0.00 O ATOM 0 H SER A 27 6.894 5.978 -8.278 1.00 0.00 H new ATOM 0 HA SER A 27 8.473 6.116 -10.583 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.907 8.290 -8.540 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.446 8.538 -10.189 1.00 0.00 H new ATOM 0 HG SER A 27 6.148 8.780 -9.971 1.00 0.00 H new ATOM 447 N GLN A 28 10.054 6.548 -7.733 1.00 0.00 N ATOM 448 CA GLN A 28 11.362 6.671 -7.114 1.00 0.00 C ATOM 449 C GLN A 28 12.205 5.428 -7.402 1.00 0.00 C ATOM 450 O GLN A 28 13.355 5.537 -7.825 1.00 0.00 O ATOM 451 CB GLN A 28 11.236 6.911 -5.608 1.00 0.00 C ATOM 452 CG GLN A 28 10.691 8.311 -5.319 1.00 0.00 C ATOM 453 CD GLN A 28 11.814 9.350 -5.329 1.00 0.00 C ATOM 454 OE1 GLN A 28 12.909 9.113 -5.814 1.00 0.00 O ATOM 455 NE2 GLN A 28 11.484 10.510 -4.770 1.00 0.00 N ATOM 0 H GLN A 28 9.277 6.476 -7.076 1.00 0.00 H new ATOM 0 HA GLN A 28 11.866 7.536 -7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.575 6.162 -5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.210 6.791 -5.134 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.941 8.574 -6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.193 8.318 -4.350 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.550 10.642 -4.383 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.165 11.268 -4.728 1.00 0.00 H new ATOM 464 N ALA A 29 11.601 4.273 -7.161 1.00 0.00 N ATOM 465 CA ALA A 29 12.282 3.010 -7.389 1.00 0.00 C ATOM 466 C ALA A 29 12.710 2.923 -8.855 1.00 0.00 C ATOM 467 O ALA A 29 13.826 2.502 -9.156 1.00 0.00 O ATOM 468 CB ALA A 29 11.366 1.855 -6.979 1.00 0.00 C ATOM 0 H ALA A 29 10.647 4.186 -6.810 1.00 0.00 H new ATOM 0 HA ALA A 29 13.183 2.944 -6.779 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.877 0.907 -7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.116 1.947 -5.922 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.452 1.887 -7.572 1.00 0.00 H new ATOM 474 N SER A 30 11.799 3.327 -9.729 1.00 0.00 N ATOM 475 CA SER A 30 12.002 3.149 -11.157 1.00 0.00 C ATOM 476 C SER A 30 13.163 4.024 -11.634 1.00 0.00 C ATOM 477 O SER A 30 13.970 3.595 -12.457 1.00 0.00 O ATOM 478 CB SER A 30 10.730 3.482 -11.939 1.00 0.00 C ATOM 479 OG SER A 30 9.969 2.316 -12.243 1.00 0.00 O ATOM 0 H SER A 30 10.919 3.777 -9.476 1.00 0.00 H new ATOM 0 HA SER A 30 12.246 2.103 -11.340 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.118 4.173 -11.359 1.00 0.00 H new ATOM 0 HB3 SER A 30 10.997 3.992 -12.865 1.00 0.00 H new ATOM 0 HG SER A 30 9.997 1.700 -11.482 1.00 0.00 H new ATOM 485 N ALA A 31 13.210 5.234 -11.097 1.00 0.00 N ATOM 486 CA ALA A 31 14.281 6.159 -11.429 1.00 0.00 C ATOM 487 C ALA A 31 15.626 5.525 -11.069 1.00 0.00 C ATOM 488 O ALA A 31 16.606 5.685 -11.794 1.00 0.00 O ATOM 489 CB ALA A 31 14.050 7.487 -10.706 1.00 0.00 C ATOM 0 H ALA A 31 12.524 5.596 -10.434 1.00 0.00 H new ATOM 0 HA ALA A 31 14.291 6.368 -12.499 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.853 8.181 -10.955 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.095 7.910 -11.018 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.037 7.318 -9.629 1.00 0.00 H new ATOM 495 N LEU A 32 15.629 4.818 -9.948 1.00 0.00 N ATOM 496 CA LEU A 32 16.856 4.227 -9.440 1.00 0.00 C ATOM 497 C LEU A 32 17.213 3.000 -10.283 1.00 0.00 C ATOM 498 O LEU A 32 18.350 2.534 -10.255 1.00 0.00 O ATOM 499 CB LEU A 32 16.728 3.929 -7.945 1.00 0.00 C ATOM 500 CG LEU A 32 16.587 5.147 -7.029 1.00 0.00 C ATOM 501 CD1 LEU A 32 16.029 4.743 -5.662 1.00 0.00 C ATOM 502 CD2 LEU A 32 17.914 5.898 -6.906 1.00 0.00 C ATOM 0 H LEU A 32 14.802 4.641 -9.378 1.00 0.00 H new ATOM 0 HA LEU A 32 17.684 4.930 -9.532 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.862 3.285 -7.796 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.605 3.362 -7.631 1.00 0.00 H new ATOM 0 HG LEU A 32 15.870 5.832 -7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.939 5.627 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 32 15.047 4.287 -5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.703 4.028 -5.191 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.785 6.759 -6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.671 5.234 -6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.233 6.238 -7.892 1.00 0.00 H new ATOM 514 N GLY A 33 16.220 2.514 -11.012 1.00 0.00 N ATOM 515 CA GLY A 33 16.468 1.536 -12.057 1.00 0.00 C ATOM 516 C GLY A 33 15.817 0.193 -11.718 1.00 0.00 C ATOM 517 O GLY A 33 16.143 -0.829 -12.320 1.00 0.00 O ATOM 0 H GLY A 33 15.242 2.779 -10.900 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.077 1.905 -13.005 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.542 1.401 -12.186 1.00 0.00 H new ATOM 521 N TRP A 34 14.909 0.239 -10.754 1.00 0.00 N ATOM 522 CA TRP A 34 14.052 -0.902 -10.479 1.00 0.00 C ATOM 523 C TRP A 34 13.162 -1.131 -11.701 1.00 0.00 C ATOM 524 O TRP A 34 12.748 -0.177 -12.359 1.00 0.00 O ATOM 525 CB TRP A 34 13.256 -0.691 -9.190 1.00 0.00 C ATOM 526 CG TRP A 34 12.048 -1.618 -9.045 1.00 0.00 C ATOM 527 CD1 TRP A 34 12.044 -2.937 -8.804 1.00 0.00 C ATOM 528 CD2 TRP A 34 10.658 -1.242 -9.143 1.00 0.00 C ATOM 529 NE1 TRP A 34 10.759 -3.435 -8.740 1.00 0.00 N ATOM 530 CE2 TRP A 34 9.889 -2.372 -8.953 1.00 0.00 C ATOM 531 CE3 TRP A 34 10.070 0.012 -9.385 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.490 -2.361 -8.984 1.00 0.00 C ATOM 533 CZ3 TRP A 34 8.670 0.006 -9.414 1.00 0.00 C ATOM 534 CH2 TRP A 34 7.882 -1.123 -9.224 1.00 0.00 C ATOM 0 H TRP A 34 14.748 1.048 -10.154 1.00 0.00 H new ATOM 0 HA TRP A 34 14.647 -1.799 -10.310 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.919 -0.839 -8.338 1.00 0.00 H new ATOM 0 HB3 TRP A 34 12.914 0.343 -9.152 1.00 0.00 H new ATOM 0 HD1 TRP A 34 12.935 -3.534 -8.676 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.496 -4.405 -8.568 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.652 0.909 -9.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 7.910 -3.259 -8.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.167 0.944 -9.597 1.00 0.00 H new ATOM 0 HH2 TRP A 34 6.805 -1.046 -9.261 1.00 0.00 H new ATOM 545 N VAL A 35 12.892 -2.400 -11.969 1.00 0.00 N ATOM 546 CA VAL A 35 11.901 -2.761 -12.967 1.00 0.00 C ATOM 547 C VAL A 35 10.848 -3.670 -12.329 1.00 0.00 C ATOM 548 O VAL A 35 11.180 -4.542 -11.528 1.00 0.00 O ATOM 549 CB VAL A 35 12.585 -3.396 -14.179 1.00 0.00 C ATOM 550 CG1 VAL A 35 11.576 -3.673 -15.296 1.00 0.00 C ATOM 551 CG2 VAL A 35 13.734 -2.520 -14.682 1.00 0.00 C ATOM 0 H VAL A 35 13.343 -3.192 -11.511 1.00 0.00 H new ATOM 0 HA VAL A 35 11.385 -1.873 -13.331 1.00 0.00 H new ATOM 0 HB VAL A 35 13.006 -4.351 -13.864 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.088 -4.124 -16.146 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.808 -4.355 -14.932 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.112 -2.737 -15.608 1.00 0.00 H new ATOM 0 HG21 VAL A 35 14.203 -2.995 -15.544 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.347 -1.543 -14.972 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.472 -2.397 -13.889 1.00 0.00 H new ATOM 561 N ALA A 36 9.601 -3.436 -12.710 1.00 0.00 N ATOM 562 CA ALA A 36 8.489 -4.152 -12.109 1.00 0.00 C ATOM 563 C ALA A 36 8.285 -5.478 -12.845 1.00 0.00 C ATOM 564 O ALA A 36 7.196 -5.752 -13.347 1.00 0.00 O ATOM 565 CB ALA A 36 7.238 -3.271 -12.138 1.00 0.00 C ATOM 0 H ALA A 36 9.336 -2.761 -13.427 1.00 0.00 H new ATOM 0 HA ALA A 36 8.701 -4.383 -11.065 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.404 -3.809 -11.687 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.425 -2.355 -11.577 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.993 -3.021 -13.170 1.00 0.00 H new ATOM 571 N SER A 37 9.349 -6.265 -12.885 1.00 0.00 N ATOM 572 CA SER A 37 9.305 -7.550 -13.561 1.00 0.00 C ATOM 573 C SER A 37 10.625 -8.296 -13.357 1.00 0.00 C ATOM 574 O SER A 37 10.634 -9.433 -12.887 1.00 0.00 O ATOM 575 CB SER A 37 9.019 -7.377 -15.054 1.00 0.00 C ATOM 576 OG SER A 37 7.625 -7.454 -15.344 1.00 0.00 O ATOM 0 H SER A 37 10.248 -6.038 -12.460 1.00 0.00 H new ATOM 0 HA SER A 37 8.494 -8.136 -13.128 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.406 -6.414 -15.388 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.549 -8.146 -15.616 1.00 0.00 H new ATOM 0 HG SER A 37 7.139 -6.812 -14.786 1.00 0.00 H new ATOM 582 N LYS A 38 11.709 -7.625 -13.720 1.00 0.00 N ATOM 583 CA LYS A 38 13.033 -8.202 -13.564 1.00 0.00 C ATOM 584 C LYS A 38 13.731 -7.552 -12.368 1.00 0.00 C ATOM 585 O LYS A 38 13.660 -6.337 -12.188 1.00 0.00 O ATOM 586 CB LYS A 38 13.822 -8.093 -14.870 1.00 0.00 C ATOM 587 CG LYS A 38 15.172 -8.803 -14.757 1.00 0.00 C ATOM 588 CD LYS A 38 15.925 -8.767 -16.088 1.00 0.00 C ATOM 589 CE LYS A 38 17.288 -9.452 -15.967 1.00 0.00 C ATOM 590 NZ LYS A 38 18.009 -9.403 -17.258 1.00 0.00 N ATOM 0 H LYS A 38 11.697 -6.687 -14.122 1.00 0.00 H new ATOM 0 HA LYS A 38 12.961 -9.268 -13.350 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.245 -8.530 -15.685 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.979 -7.043 -15.117 1.00 0.00 H new ATOM 0 HG2 LYS A 38 15.773 -8.327 -13.982 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.018 -9.838 -14.450 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.333 -9.261 -16.858 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.061 -7.733 -16.405 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.880 -8.962 -15.194 1.00 0.00 H new ATOM 0 HE3 LYS A 38 17.154 -10.489 -15.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.932 -9.872 -17.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.450 -9.891 -17.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 18.153 -8.412 -17.538 1.00 0.00 H new ATOM 604 N GLY A 39 14.388 -8.390 -11.580 1.00 0.00 N ATOM 605 CA GLY A 39 15.177 -7.903 -10.461 1.00 0.00 C ATOM 606 C GLY A 39 14.291 -7.627 -9.245 1.00 0.00 C ATOM 607 O GLY A 39 13.116 -7.295 -9.391 1.00 0.00 O ATOM 0 H GLY A 39 14.390 -9.404 -11.694 1.00 0.00 H new ATOM 0 HA2 GLY A 39 15.939 -8.638 -10.201 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.699 -6.991 -10.749 1.00 0.00 H new ATOM 611 N ASN A 40 14.889 -7.773 -8.072 1.00 0.00 N ATOM 612 CA ASN A 40 14.182 -7.499 -6.832 1.00 0.00 C ATOM 613 C ASN A 40 14.447 -6.053 -6.407 1.00 0.00 C ATOM 614 O ASN A 40 15.404 -5.433 -6.868 1.00 0.00 O ATOM 615 CB ASN A 40 14.665 -8.418 -5.708 1.00 0.00 C ATOM 616 CG ASN A 40 16.156 -8.210 -5.432 1.00 0.00 C ATOM 617 OD1 ASN A 40 17.012 -8.500 -6.251 1.00 0.00 O ATOM 618 ND2 ASN A 40 16.417 -7.692 -4.235 1.00 0.00 N ATOM 0 H ASN A 40 15.855 -8.078 -7.954 1.00 0.00 H new ATOM 0 HA ASN A 40 13.119 -7.669 -7.005 1.00 0.00 H new ATOM 0 HB2 ASN A 40 14.093 -8.221 -4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 40 14.483 -9.458 -5.980 1.00 0.00 H new ATOM 0 HD21 ASN A 40 17.382 -7.515 -3.955 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.652 -7.472 -3.597 1.00 0.00 H new ATOM 625 N LEU A 41 13.583 -5.559 -5.533 1.00 0.00 N ATOM 626 CA LEU A 41 13.607 -4.152 -5.171 1.00 0.00 C ATOM 627 C LEU A 41 14.879 -3.858 -4.372 1.00 0.00 C ATOM 628 O LEU A 41 15.669 -2.996 -4.753 1.00 0.00 O ATOM 629 CB LEU A 41 12.319 -3.765 -4.441 1.00 0.00 C ATOM 630 CG LEU A 41 12.009 -2.268 -4.377 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.723 -1.707 -5.771 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.865 -1.987 -3.400 1.00 0.00 C ATOM 0 H LEU A 41 12.862 -6.108 -5.065 1.00 0.00 H new ATOM 0 HA LEU A 41 13.639 -3.528 -6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.484 -4.268 -4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 41 12.373 -4.149 -3.422 1.00 0.00 H new ATOM 0 HG LEU A 41 12.891 -1.752 -3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.506 -0.641 -5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.594 -1.856 -6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.865 -2.223 -6.202 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.664 -0.916 -3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.970 -2.516 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.145 -2.329 -2.404 1.00 0.00 H new ATOM 644 N ALA A 42 15.036 -4.591 -3.279 1.00 0.00 N ATOM 645 CA ALA A 42 16.036 -4.245 -2.284 1.00 0.00 C ATOM 646 C ALA A 42 17.381 -4.016 -2.977 1.00 0.00 C ATOM 647 O ALA A 42 18.185 -3.201 -2.527 1.00 0.00 O ATOM 648 CB ALA A 42 16.107 -5.348 -1.226 1.00 0.00 C ATOM 0 H ALA A 42 14.487 -5.423 -3.061 1.00 0.00 H new ATOM 0 HA ALA A 42 15.765 -3.320 -1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 42 16.857 -5.088 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 42 15.135 -5.452 -0.743 1.00 0.00 H new ATOM 0 HB3 ALA A 42 16.379 -6.291 -1.701 1.00 0.00 H new ATOM 654 N GLU A 43 17.584 -4.749 -4.062 1.00 0.00 N ATOM 655 CA GLU A 43 18.843 -4.683 -4.785 1.00 0.00 C ATOM 656 C GLU A 43 19.133 -3.245 -5.217 1.00 0.00 C ATOM 657 O GLU A 43 20.237 -2.742 -5.012 1.00 0.00 O ATOM 658 CB GLU A 43 18.833 -5.626 -5.989 1.00 0.00 C ATOM 659 CG GLU A 43 20.186 -5.617 -6.704 1.00 0.00 C ATOM 660 CD GLU A 43 20.175 -4.644 -7.885 1.00 0.00 C ATOM 661 OE1 GLU A 43 19.505 -4.975 -8.887 1.00 0.00 O ATOM 662 OE2 GLU A 43 20.836 -3.591 -7.759 1.00 0.00 O ATOM 0 H GLU A 43 16.898 -5.392 -4.458 1.00 0.00 H new ATOM 0 HA GLU A 43 19.641 -5.008 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.598 -6.638 -5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 43 18.048 -5.326 -6.684 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.970 -5.334 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.421 -6.621 -7.057 1.00 0.00 H new ATOM 669 N VAL A 44 18.123 -2.623 -5.807 1.00 0.00 N ATOM 670 CA VAL A 44 18.293 -1.301 -6.387 1.00 0.00 C ATOM 671 C VAL A 44 18.048 -0.241 -5.311 1.00 0.00 C ATOM 672 O VAL A 44 18.822 0.705 -5.180 1.00 0.00 O ATOM 673 CB VAL A 44 17.378 -1.142 -7.603 1.00 0.00 C ATOM 674 CG1 VAL A 44 17.462 0.277 -8.169 1.00 0.00 C ATOM 675 CG2 VAL A 44 17.707 -2.181 -8.676 1.00 0.00 C ATOM 0 H VAL A 44 17.183 -3.010 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 44 19.314 -1.169 -6.746 1.00 0.00 H new ATOM 0 HB VAL A 44 16.352 -1.312 -7.276 1.00 0.00 H new ATOM 0 HG11 VAL A 44 16.802 0.364 -9.032 1.00 0.00 H new ATOM 0 HG12 VAL A 44 17.156 0.992 -7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 44 18.487 0.487 -8.473 1.00 0.00 H new ATOM 0 HG21 VAL A 44 17.042 -2.046 -9.529 1.00 0.00 H new ATOM 0 HG22 VAL A 44 18.741 -2.057 -8.998 1.00 0.00 H new ATOM 0 HG23 VAL A 44 17.573 -3.182 -8.266 1.00 0.00 H new ATOM 685 N ALA A 45 16.968 -0.436 -4.569 1.00 0.00 N ATOM 686 CA ALA A 45 16.551 0.546 -3.583 1.00 0.00 C ATOM 687 C ALA A 45 16.241 -0.163 -2.262 1.00 0.00 C ATOM 688 O ALA A 45 15.097 -0.533 -2.006 1.00 0.00 O ATOM 689 CB ALA A 45 15.351 1.330 -4.119 1.00 0.00 C ATOM 0 H ALA A 45 16.369 -1.259 -4.631 1.00 0.00 H new ATOM 0 HA ALA A 45 17.350 1.262 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.038 2.067 -3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.631 1.838 -5.042 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.528 0.644 -4.318 1.00 0.00 H new ATOM 695 N PRO A 46 17.310 -0.335 -1.438 1.00 0.00 N ATOM 696 CA PRO A 46 17.177 -1.050 -0.181 1.00 0.00 C ATOM 697 C PRO A 46 16.464 -0.192 0.866 1.00 0.00 C ATOM 698 O PRO A 46 16.480 1.035 0.783 1.00 0.00 O ATOM 699 CB PRO A 46 18.598 -1.413 0.217 1.00 0.00 C ATOM 700 CG PRO A 46 19.504 -0.492 -0.584 1.00 0.00 C ATOM 701 CD PRO A 46 18.667 0.146 -1.681 1.00 0.00 C ATOM 0 HA PRO A 46 16.561 -1.945 -0.270 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.751 -1.276 1.288 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.810 -2.459 -0.004 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.936 0.273 0.060 1.00 0.00 H new ATOM 0 HG3 PRO A 46 20.334 -1.052 -1.014 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.716 1.234 -1.635 1.00 0.00 H new ATOM 0 HD3 PRO A 46 19.020 -0.147 -2.670 1.00 0.00 H new ATOM 709 N GLY A 47 15.856 -0.871 1.827 1.00 0.00 N ATOM 710 CA GLY A 47 15.433 -0.217 3.054 1.00 0.00 C ATOM 711 C GLY A 47 13.961 0.193 2.977 1.00 0.00 C ATOM 712 O GLY A 47 13.391 0.663 3.961 1.00 0.00 O ATOM 0 H GLY A 47 15.646 -1.868 1.781 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.583 -0.889 3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.051 0.663 3.233 1.00 0.00 H new ATOM 716 N LYS A 48 13.386 0.000 1.799 1.00 0.00 N ATOM 717 CA LYS A 48 12.030 0.456 1.543 1.00 0.00 C ATOM 718 C LYS A 48 11.299 -0.585 0.693 1.00 0.00 C ATOM 719 O LYS A 48 11.928 -1.343 -0.043 1.00 0.00 O ATOM 720 CB LYS A 48 12.043 1.856 0.925 1.00 0.00 C ATOM 721 CG LYS A 48 12.215 2.929 2.002 1.00 0.00 C ATOM 722 CD LYS A 48 13.530 3.689 1.814 1.00 0.00 C ATOM 723 CE LYS A 48 13.491 5.038 2.534 1.00 0.00 C ATOM 724 NZ LYS A 48 13.238 4.847 3.980 1.00 0.00 N ATOM 0 H LYS A 48 13.835 -0.466 1.011 1.00 0.00 H new ATOM 0 HA LYS A 48 11.477 0.551 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 48 12.854 1.930 0.200 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.113 2.026 0.382 1.00 0.00 H new ATOM 0 HG2 LYS A 48 11.379 3.627 1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.197 2.466 2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.357 3.092 2.197 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.715 3.845 0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.436 5.561 2.390 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.711 5.665 2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.511 5.707 4.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.227 4.657 4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.798 4.042 4.327 1.00 0.00 H new ATOM 738 N SER A 49 9.980 -0.587 0.823 1.00 0.00 N ATOM 739 CA SER A 49 9.131 -1.215 -0.175 1.00 0.00 C ATOM 740 C SER A 49 8.450 -0.144 -1.030 1.00 0.00 C ATOM 741 O SER A 49 8.779 1.037 -0.930 1.00 0.00 O ATOM 742 CB SER A 49 8.082 -2.115 0.481 1.00 0.00 C ATOM 743 OG SER A 49 8.635 -2.895 1.539 1.00 0.00 O ATOM 0 H SER A 49 9.479 -0.164 1.604 1.00 0.00 H new ATOM 0 HA SER A 49 9.757 -1.838 -0.813 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.269 -1.501 0.869 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.651 -2.777 -0.270 1.00 0.00 H new ATOM 0 HG SER A 49 7.934 -3.455 1.934 1.00 0.00 H new ATOM 749 N ILE A 50 7.515 -0.596 -1.853 1.00 0.00 N ATOM 750 CA ILE A 50 6.656 0.320 -2.585 1.00 0.00 C ATOM 751 C ILE A 50 5.504 0.764 -1.681 1.00 0.00 C ATOM 752 O ILE A 50 5.047 0.001 -0.832 1.00 0.00 O ATOM 753 CB ILE A 50 6.198 -0.311 -3.901 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.395 -0.794 -4.723 1.00 0.00 C ATOM 755 CG2 ILE A 50 5.310 0.652 -4.691 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.359 0.358 -5.016 1.00 0.00 C ATOM 0 H ILE A 50 7.333 -1.584 -2.029 1.00 0.00 H new ATOM 0 HA ILE A 50 7.207 1.218 -2.864 1.00 0.00 H new ATOM 0 HB ILE A 50 5.593 -1.187 -3.668 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.918 -1.582 -4.182 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.046 -1.228 -5.660 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.998 0.179 -5.622 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.430 0.904 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.868 1.561 -4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.201 -0.012 -5.601 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.839 1.134 -5.578 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.725 0.774 -4.077 1.00 0.00 H new ATOM 768 N GLY A 51 5.066 1.996 -1.897 1.00 0.00 N ATOM 769 CA GLY A 51 3.768 2.425 -1.406 1.00 0.00 C ATOM 770 C GLY A 51 3.540 3.912 -1.687 1.00 0.00 C ATOM 771 O GLY A 51 4.465 4.622 -2.078 1.00 0.00 O ATOM 0 H GLY A 51 5.587 2.710 -2.405 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.983 1.837 -1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.701 2.239 -0.334 1.00 0.00 H new ATOM 775 N GLY A 52 2.303 4.339 -1.476 1.00 0.00 N ATOM 776 CA GLY A 52 1.961 5.743 -1.622 1.00 0.00 C ATOM 777 C GLY A 52 1.481 6.045 -3.043 1.00 0.00 C ATOM 778 O GLY A 52 1.291 7.206 -3.404 1.00 0.00 O ATOM 0 H GLY A 52 1.526 3.737 -1.205 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.182 6.008 -0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.830 6.359 -1.389 1.00 0.00 H new ATOM 782 N ASP A 53 1.297 4.981 -3.811 1.00 0.00 N ATOM 783 CA ASP A 53 0.890 5.120 -5.198 1.00 0.00 C ATOM 784 C ASP A 53 -0.621 4.903 -5.306 1.00 0.00 C ATOM 785 O ASP A 53 -1.229 4.297 -4.425 1.00 0.00 O ATOM 786 CB ASP A 53 1.581 4.080 -6.082 1.00 0.00 C ATOM 787 CG ASP A 53 3.105 4.039 -5.961 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.583 3.338 -5.043 1.00 0.00 O ATOM 789 OD2 ASP A 53 3.759 4.709 -6.789 1.00 0.00 O ATOM 0 H ASP A 53 1.423 4.018 -3.498 1.00 0.00 H new ATOM 0 HA ASP A 53 1.168 6.119 -5.532 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.185 3.095 -5.835 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.319 4.277 -7.122 1.00 0.00 H new ATOM 794 N VAL A 54 -1.183 5.410 -6.393 1.00 0.00 N ATOM 795 CA VAL A 54 -2.617 5.313 -6.608 1.00 0.00 C ATOM 796 C VAL A 54 -2.954 3.923 -7.150 1.00 0.00 C ATOM 797 O VAL A 54 -2.258 3.407 -8.023 1.00 0.00 O ATOM 798 CB VAL A 54 -3.086 6.443 -7.528 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.606 6.418 -7.695 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.613 7.803 -7.011 1.00 0.00 C ATOM 0 H VAL A 54 -0.672 5.889 -7.134 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.153 5.434 -5.667 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.639 6.284 -8.509 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.913 7.231 -8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.909 5.465 -8.129 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.081 6.540 -6.722 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.960 8.588 -7.683 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.018 7.974 -6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.524 7.817 -6.968 1.00 0.00 H new ATOM 810 N PHE A 55 -4.022 3.355 -6.609 1.00 0.00 N ATOM 811 CA PHE A 55 -4.446 2.024 -7.010 1.00 0.00 C ATOM 812 C PHE A 55 -5.761 2.080 -7.791 1.00 0.00 C ATOM 813 O PHE A 55 -5.934 1.359 -8.773 1.00 0.00 O ATOM 814 CB PHE A 55 -4.662 1.218 -5.728 1.00 0.00 C ATOM 815 CG PHE A 55 -6.029 0.535 -5.645 1.00 0.00 C ATOM 816 CD1 PHE A 55 -6.235 -0.652 -6.276 1.00 0.00 C ATOM 817 CD2 PHE A 55 -7.037 1.114 -4.939 1.00 0.00 C ATOM 818 CE1 PHE A 55 -7.503 -1.286 -6.199 1.00 0.00 C ATOM 819 CE2 PHE A 55 -8.305 0.480 -4.862 1.00 0.00 C ATOM 820 CZ PHE A 55 -8.511 -0.706 -5.494 1.00 0.00 C ATOM 0 H PHE A 55 -4.606 3.792 -5.896 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.691 1.571 -7.653 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.883 0.459 -5.652 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.546 1.881 -4.870 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.434 -1.112 -6.836 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.873 2.056 -4.437 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.667 -2.229 -6.700 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.106 0.940 -4.302 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.476 -1.188 -5.436 1.00 0.00 H new ATOM 925 N LEU A 62 -14.039 -1.683 -3.713 1.00 0.00 N ATOM 926 CA LEU A 62 -14.233 -0.689 -2.671 1.00 0.00 C ATOM 927 C LEU A 62 -15.146 0.421 -3.195 1.00 0.00 C ATOM 928 O LEU A 62 -15.217 0.654 -4.401 1.00 0.00 O ATOM 929 CB LEU A 62 -12.885 -0.184 -2.154 1.00 0.00 C ATOM 930 CG LEU A 62 -11.878 -1.260 -1.743 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.443 -0.795 -1.997 1.00 0.00 C ATOM 932 CD2 LEU A 62 -12.094 -1.686 -0.290 1.00 0.00 C ATOM 0 HA LEU A 62 -14.732 -1.133 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.430 0.434 -2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.067 0.462 -1.295 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.045 -2.139 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.748 -1.579 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.312 -0.582 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.245 0.107 -1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.365 -2.452 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.970 -0.823 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.101 -2.087 -0.174 1.00 0.00 H new ATOM 944 N PRO A 63 -15.840 1.095 -2.238 1.00 0.00 N ATOM 945 CA PRO A 63 -16.810 2.115 -2.597 1.00 0.00 C ATOM 946 C PRO A 63 -16.113 3.401 -3.045 1.00 0.00 C ATOM 947 O PRO A 63 -14.976 3.663 -2.656 1.00 0.00 O ATOM 948 CB PRO A 63 -17.660 2.304 -1.351 1.00 0.00 C ATOM 949 CG PRO A 63 -16.850 1.727 -0.202 1.00 0.00 C ATOM 950 CD PRO A 63 -15.719 0.903 -0.796 1.00 0.00 C ATOM 0 HA PRO A 63 -17.429 1.827 -3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.879 3.359 -1.184 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.617 1.792 -1.450 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.452 2.526 0.424 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.480 1.107 0.435 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.749 1.241 -0.431 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.812 -0.149 -0.527 1.00 0.00 H new ATOM 997 N ARG A 68 -13.004 11.487 -3.859 1.00 0.00 N ATOM 998 CA ARG A 68 -12.261 10.598 -2.982 1.00 0.00 C ATOM 999 C ARG A 68 -11.374 9.661 -3.804 1.00 0.00 C ATOM 1000 O ARG A 68 -11.791 9.164 -4.850 1.00 0.00 O ATOM 1001 CB ARG A 68 -13.206 9.764 -2.115 1.00 0.00 C ATOM 1002 CG ARG A 68 -12.436 9.029 -1.016 1.00 0.00 C ATOM 1003 CD ARG A 68 -13.391 8.452 0.031 1.00 0.00 C ATOM 1004 NE ARG A 68 -14.085 7.265 -0.515 1.00 0.00 N ATOM 1005 CZ ARG A 68 -15.013 6.564 0.151 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -15.373 6.935 1.387 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -15.581 5.493 -0.420 1.00 0.00 N ATOM 0 HA ARG A 68 -11.640 11.215 -2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -13.959 10.411 -1.666 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -13.735 9.043 -2.738 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -11.845 8.226 -1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -11.736 9.714 -0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -12.837 8.178 0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.121 9.207 0.325 1.00 0.00 H new ATOM 0 HE ARG A 68 -13.842 6.961 -1.458 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.941 7.751 1.821 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -16.079 6.402 1.894 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -15.307 5.211 -1.361 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.287 4.959 0.087 1.00 0.00 H new ATOM 1021 N THR A 69 -10.167 9.447 -3.301 1.00 0.00 N ATOM 1022 CA THR A 69 -9.216 8.583 -3.978 1.00 0.00 C ATOM 1023 C THR A 69 -8.872 7.378 -3.101 1.00 0.00 C ATOM 1024 O THR A 69 -9.120 7.392 -1.896 1.00 0.00 O ATOM 1025 CB THR A 69 -7.997 9.427 -4.358 1.00 0.00 C ATOM 1026 OG1 THR A 69 -8.556 10.629 -4.880 1.00 0.00 O ATOM 1027 CG2 THR A 69 -7.219 8.835 -5.535 1.00 0.00 C ATOM 0 H THR A 69 -9.826 9.858 -2.432 1.00 0.00 H new ATOM 0 HA THR A 69 -9.640 8.169 -4.893 1.00 0.00 H new ATOM 0 HB THR A 69 -7.336 9.519 -3.496 1.00 0.00 H new ATOM 0 HG1 THR A 69 -7.835 11.235 -5.150 1.00 0.00 H new ATOM 0 HG21 THR A 69 -6.365 9.472 -5.764 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.868 7.837 -5.274 1.00 0.00 H new ATOM 0 HG23 THR A 69 -7.870 8.774 -6.407 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.306 6.364 -3.739 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.801 5.211 -3.013 1.00 0.00 C ATOM 1037 C TRP A 70 -6.317 5.052 -3.350 1.00 0.00 C ATOM 1038 O TRP A 70 -5.932 5.110 -4.516 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.624 3.960 -3.332 1.00 0.00 C ATOM 1040 CG TRP A 70 -10.054 4.002 -2.790 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -11.116 4.632 -3.311 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.539 3.357 -1.593 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.245 4.442 -2.541 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -11.883 3.642 -1.463 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -9.865 2.560 -0.652 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.668 3.170 -0.405 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.663 2.096 0.400 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -12.017 2.374 0.546 1.00 0.00 C ATOM 0 H TRP A 70 -8.186 6.317 -4.751 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.899 5.359 -1.938 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.660 3.827 -4.413 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -8.116 3.088 -2.920 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.091 5.215 -4.220 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -13.174 4.819 -2.728 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.814 2.324 -0.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.719 3.407 -0.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.194 1.478 1.151 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.564 1.978 1.389 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.525 4.855 -2.306 1.00 0.00 N ATOM 1060 CA ARG A 71 -4.094 4.672 -2.478 1.00 0.00 C ATOM 1061 C ARG A 71 -3.644 3.362 -1.828 1.00 0.00 C ATOM 1062 O ARG A 71 -4.188 2.955 -0.802 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.312 5.834 -1.861 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.727 7.167 -2.486 1.00 0.00 C ATOM 1065 CD ARG A 71 -2.866 8.314 -1.954 1.00 0.00 C ATOM 1066 NE ARG A 71 -1.610 8.406 -2.731 1.00 0.00 N ATOM 1067 CZ ARG A 71 -1.442 9.202 -3.796 1.00 0.00 C ATOM 1068 NH1 ARG A 71 -2.495 9.832 -4.334 1.00 0.00 N ATOM 1069 NH2 ARG A 71 -0.221 9.367 -4.324 1.00 0.00 N ATOM 0 H ARG A 71 -5.847 4.818 -1.339 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.891 4.639 -3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.485 5.863 -0.785 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.243 5.676 -2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.632 7.109 -3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.777 7.364 -2.268 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.415 9.253 -2.022 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -2.640 8.152 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.823 7.827 -2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.424 9.706 -3.933 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.367 10.438 -5.145 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.581 8.887 -3.915 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.094 9.973 -5.135 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.656 2.737 -2.452 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.204 1.427 -2.015 1.00 0.00 C ATOM 1085 C GLU A 72 -0.807 1.526 -1.400 1.00 0.00 C ATOM 1086 O GLU A 72 -0.100 2.510 -1.611 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.226 0.426 -3.171 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.362 0.914 -4.335 1.00 0.00 C ATOM 1089 CD GLU A 72 -1.054 -0.228 -5.306 1.00 0.00 C ATOM 1090 OE1 GLU A 72 -1.884 -1.160 -5.367 1.00 0.00 O ATOM 1091 OE2 GLU A 72 0.004 -0.142 -5.965 1.00 0.00 O ATOM 0 H GLU A 72 -2.156 3.114 -3.257 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.890 1.063 -1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.864 -0.542 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -3.251 0.280 -3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.877 1.716 -4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.431 1.331 -3.951 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.450 0.492 -0.653 1.00 0.00 N ATOM 1099 CA ALA A 73 0.890 0.396 -0.099 1.00 0.00 C ATOM 1100 C ALA A 73 1.198 -1.066 0.231 1.00 0.00 C ATOM 1101 O ALA A 73 0.295 -1.837 0.552 1.00 0.00 O ATOM 1102 CB ALA A 73 1.003 1.306 1.126 1.00 0.00 C ATOM 0 H ALA A 73 -1.065 -0.287 -0.418 1.00 0.00 H new ATOM 0 HA ALA A 73 1.630 0.733 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.008 1.234 1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.805 2.337 0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.277 0.996 1.878 1.00 0.00 H new ATOM 1108 N ASP A 74 2.476 -1.403 0.140 1.00 0.00 N ATOM 1109 CA ASP A 74 2.902 -2.780 0.327 1.00 0.00 C ATOM 1110 C ASP A 74 2.853 -3.126 1.817 1.00 0.00 C ATOM 1111 O ASP A 74 3.174 -2.292 2.662 1.00 0.00 O ATOM 1112 CB ASP A 74 4.338 -2.983 -0.159 1.00 0.00 C ATOM 1113 CG ASP A 74 4.538 -2.830 -1.668 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.576 -2.376 -2.325 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.648 -3.171 -2.131 1.00 0.00 O ATOM 0 H ASP A 74 3.230 -0.747 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 74 2.233 -3.421 -0.247 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.983 -2.268 0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.668 -3.979 0.137 1.00 0.00 H new ATOM 1120 N ILE A 75 2.450 -4.358 2.093 1.00 0.00 N ATOM 1121 CA ILE A 75 2.589 -4.909 3.429 1.00 0.00 C ATOM 1122 C ILE A 75 3.635 -6.026 3.409 1.00 0.00 C ATOM 1123 O ILE A 75 3.550 -6.946 2.597 1.00 0.00 O ATOM 1124 CB ILE A 75 1.229 -5.351 3.972 1.00 0.00 C ATOM 1125 CG1 ILE A 75 0.235 -4.187 3.973 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.370 -5.985 5.357 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.687 -3.080 4.927 1.00 0.00 C ATOM 0 H ILE A 75 2.027 -4.990 1.413 1.00 0.00 H new ATOM 0 HA ILE A 75 2.949 -4.146 4.119 1.00 0.00 H new ATOM 0 HB ILE A 75 0.829 -6.117 3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.139 -3.786 2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.751 -4.546 4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.388 -6.290 5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.020 -6.857 5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.802 -5.260 6.047 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.037 -2.265 4.908 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.759 -3.479 5.939 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.662 -2.706 4.614 1.00 0.00 H new ATOM 1139 N ASN A 76 4.598 -5.908 4.312 1.00 0.00 N ATOM 1140 CA ASN A 76 5.680 -6.875 4.382 1.00 0.00 C ATOM 1141 C ASN A 76 6.496 -6.816 3.089 1.00 0.00 C ATOM 1142 O ASN A 76 7.591 -6.255 3.068 1.00 0.00 O ATOM 1143 CB ASN A 76 5.138 -8.298 4.534 1.00 0.00 C ATOM 1144 CG ASN A 76 4.913 -8.645 6.007 1.00 0.00 C ATOM 1145 OD1 ASN A 76 4.113 -7.796 6.646 1.00 0.00 O flip ATOM 1146 ND2 ASN A 76 5.431 -9.619 6.528 1.00 0.00 N flip ATOM 0 H ASN A 76 4.651 -5.158 5.001 1.00 0.00 H new ATOM 0 HA ASN A 76 6.296 -6.629 5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.200 -8.394 3.987 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.839 -9.007 4.093 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.035 -10.230 5.979 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.260 -9.822 7.513 1.00 0.00 H new ATOM 1266 N ALA A 84 1.498 -8.449 -4.002 1.00 0.00 N ATOM 1267 CA ALA A 84 0.063 -8.665 -4.074 1.00 0.00 C ATOM 1268 C ALA A 84 -0.571 -8.299 -2.730 1.00 0.00 C ATOM 1269 O ALA A 84 -1.591 -7.612 -2.687 1.00 0.00 O ATOM 1270 CB ALA A 84 -0.217 -10.115 -4.475 1.00 0.00 C ATOM 0 HA ALA A 84 -0.383 -8.025 -4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.294 -10.276 -4.529 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.229 -10.316 -5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.214 -10.787 -3.733 1.00 0.00 H new ATOM 1276 N ASP A 85 0.059 -8.774 -1.666 1.00 0.00 N ATOM 1277 CA ASP A 85 -0.413 -8.481 -0.324 1.00 0.00 C ATOM 1278 C ASP A 85 -0.224 -6.990 -0.036 1.00 0.00 C ATOM 1279 O ASP A 85 0.905 -6.508 0.045 1.00 0.00 O ATOM 1280 CB ASP A 85 0.377 -9.268 0.723 1.00 0.00 C ATOM 1281 CG ASP A 85 0.140 -10.780 0.710 1.00 0.00 C ATOM 1282 OD1 ASP A 85 0.290 -11.369 -0.382 1.00 0.00 O ATOM 1283 OD2 ASP A 85 -0.187 -11.312 1.793 1.00 0.00 O ATOM 0 H ASP A 85 0.893 -9.360 -1.706 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.465 -8.762 -0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.440 -9.081 0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.124 -8.884 1.711 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.346 -6.301 0.111 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.337 -4.848 0.114 1.00 0.00 C ATOM 1290 C ARG A 86 -2.357 -4.313 1.122 1.00 0.00 C ATOM 1291 O ARG A 86 -3.284 -5.023 1.508 1.00 0.00 O ATOM 1292 CB ARG A 86 -1.663 -4.292 -1.274 1.00 0.00 C ATOM 1293 CG ARG A 86 -0.424 -4.298 -2.171 1.00 0.00 C ATOM 1294 CD ARG A 86 -0.786 -3.921 -3.609 1.00 0.00 C ATOM 1295 NE ARG A 86 -1.501 -5.042 -4.261 1.00 0.00 N ATOM 1296 CZ ARG A 86 -2.061 -4.970 -5.476 1.00 0.00 C ATOM 1297 NH1 ARG A 86 -2.010 -3.825 -6.171 1.00 0.00 N ATOM 1298 NH2 ARG A 86 -2.672 -6.043 -5.996 1.00 0.00 N ATOM 0 H ARG A 86 -2.268 -6.722 0.229 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.336 -4.523 0.397 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.452 -4.889 -1.733 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.045 -3.275 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.314 -3.596 -1.782 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.036 -5.286 -2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.411 -3.028 -3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.118 -3.680 -4.169 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.572 -5.924 -3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.545 -3.008 -5.775 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.436 -3.770 -7.096 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.711 -6.914 -5.467 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.099 -5.989 -6.921 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.150 -3.067 1.520 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.162 -2.343 2.270 1.00 0.00 C ATOM 1314 C LEU A 87 -3.574 -1.094 1.489 1.00 0.00 C ATOM 1315 O LEU A 87 -2.721 -0.349 1.008 1.00 0.00 O ATOM 1316 CB LEU A 87 -2.668 -2.047 3.688 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.624 -1.250 4.578 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -3.629 -1.799 6.006 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.293 0.243 4.539 1.00 0.00 C ATOM 0 H LEU A 87 -1.296 -2.540 1.337 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.057 -2.954 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.449 -2.994 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.728 -1.500 3.617 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.634 -1.366 4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.316 -1.215 6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.949 -2.841 5.994 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.625 -1.733 6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.987 0.786 5.180 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.274 0.399 4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.382 0.609 3.516 1.00 0.00 H new ATOM 1331 N VAL A 88 -4.881 -0.903 1.387 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.419 0.175 0.575 1.00 0.00 C ATOM 1333 C VAL A 88 -6.321 1.058 1.439 1.00 0.00 C ATOM 1334 O VAL A 88 -7.236 0.563 2.094 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.138 -0.399 -0.648 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.410 0.691 -1.686 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.342 -1.554 -1.260 1.00 0.00 C ATOM 0 H VAL A 88 -5.583 -1.477 1.853 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.614 0.805 0.196 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.099 -0.793 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.922 0.256 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.037 1.466 -1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.466 1.129 -2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.875 -1.944 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.360 -1.196 -1.568 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.224 -2.346 -0.521 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.031 2.351 1.412 1.00 0.00 N ATOM 1348 CA TYR A 89 -6.725 3.291 2.275 1.00 0.00 C ATOM 1349 C TYR A 89 -7.243 4.489 1.476 1.00 0.00 C ATOM 1350 O TYR A 89 -6.598 4.931 0.526 1.00 0.00 O ATOM 1351 CB TYR A 89 -5.688 3.779 3.288 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.508 4.525 2.662 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -3.392 3.826 2.249 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -4.561 5.895 2.509 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -2.281 4.528 1.659 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -3.450 6.597 1.919 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.365 5.879 1.523 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.316 6.541 0.965 1.00 0.00 O ATOM 0 H TYR A 89 -5.325 2.769 0.806 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.582 2.814 2.751 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.179 4.435 4.007 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.308 2.922 3.845 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.352 2.753 2.368 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.435 6.441 2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.401 3.994 1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.478 7.669 1.794 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.515 7.500 0.930 1.00 0.00 H new ATOM 1368 N SER A 90 -8.401 4.980 1.890 1.00 0.00 N ATOM 1369 CA SER A 90 -9.062 6.052 1.165 1.00 0.00 C ATOM 1370 C SER A 90 -8.619 7.408 1.717 1.00 0.00 C ATOM 1371 O SER A 90 -7.929 7.473 2.733 1.00 0.00 O ATOM 1372 CB SER A 90 -10.584 5.917 1.247 1.00 0.00 C ATOM 1373 OG SER A 90 -11.062 6.071 2.581 1.00 0.00 O ATOM 0 H SER A 90 -8.899 4.655 2.719 1.00 0.00 H new ATOM 0 HA SER A 90 -8.775 5.982 0.116 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.050 6.666 0.606 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.883 4.941 0.865 1.00 0.00 H new ATOM 0 HG SER A 90 -11.641 6.860 2.632 1.00 0.00 H new ATOM 1379 N SER A 91 -9.034 8.458 1.023 1.00 0.00 N ATOM 1380 CA SER A 91 -8.629 9.805 1.389 1.00 0.00 C ATOM 1381 C SER A 91 -9.124 10.135 2.799 1.00 0.00 C ATOM 1382 O SER A 91 -8.415 10.774 3.575 1.00 0.00 O ATOM 1383 CB SER A 91 -9.159 10.831 0.386 1.00 0.00 C ATOM 1384 OG SER A 91 -8.997 10.395 -0.960 1.00 0.00 O ATOM 0 H SER A 91 -9.647 8.403 0.209 1.00 0.00 H new ATOM 0 HA SER A 91 -7.540 9.851 1.373 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.215 11.017 0.582 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.637 11.778 0.526 1.00 0.00 H new ATOM 0 HG SER A 91 -8.897 11.174 -1.546 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.336 9.684 3.087 1.00 0.00 N ATOM 1391 CA ASP A 92 -10.974 10.008 4.351 1.00 0.00 C ATOM 1392 C ASP A 92 -10.710 8.883 5.354 1.00 0.00 C ATOM 1393 O ASP A 92 -11.360 8.810 6.396 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.488 10.147 4.184 1.00 0.00 C ATOM 1395 CG ASP A 92 -13.194 8.908 3.628 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -12.656 7.802 3.848 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -14.255 9.096 2.995 1.00 0.00 O ATOM 0 H ASP A 92 -10.893 9.097 2.466 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.562 10.953 4.704 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.924 10.391 5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.690 10.989 3.522 1.00 0.00 H new ATOM 1402 N TRP A 93 -9.755 8.033 5.004 1.00 0.00 N ATOM 1403 CA TRP A 93 -9.214 7.081 5.958 1.00 0.00 C ATOM 1404 C TRP A 93 -10.300 6.047 6.263 1.00 0.00 C ATOM 1405 O TRP A 93 -10.699 5.881 7.414 1.00 0.00 O ATOM 1406 CB TRP A 93 -8.698 7.793 7.211 1.00 0.00 C ATOM 1407 CG TRP A 93 -7.907 9.070 6.920 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -8.219 10.329 7.258 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -6.653 9.162 6.212 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -7.261 11.221 6.823 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -6.278 10.489 6.166 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -5.861 8.156 5.630 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -5.103 10.933 5.549 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -4.689 8.616 5.017 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.298 9.949 4.962 1.00 0.00 C ATOM 0 H TRP A 93 -9.342 7.984 4.072 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.350 6.565 5.539 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -9.545 8.040 7.851 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -8.065 7.106 7.772 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -9.109 10.610 7.802 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -7.272 12.232 6.958 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.135 7.112 5.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -4.832 11.978 5.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -4.044 7.884 4.555 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.378 10.224 4.469 1.00 0.00 H new ATOM 1426 N LEU A 94 -10.747 5.379 5.210 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.388 4.084 5.363 1.00 0.00 C ATOM 1428 C LEU A 94 -10.473 2.997 4.796 1.00 0.00 C ATOM 1429 O LEU A 94 -10.074 3.060 3.634 1.00 0.00 O ATOM 1430 CB LEU A 94 -12.785 4.100 4.738 1.00 0.00 C ATOM 1431 CG LEU A 94 -13.894 4.716 5.592 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -15.018 5.271 4.714 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -14.415 3.712 6.622 1.00 0.00 C ATOM 0 H LEU A 94 -10.678 5.710 4.248 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.539 3.856 6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.734 4.646 3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.066 3.075 4.498 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.472 5.555 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.794 5.703 5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.618 6.040 4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.444 4.465 4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -15.203 4.176 7.216 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -14.815 2.838 6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -13.599 3.406 7.277 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.167 2.025 5.642 1.00 0.00 N ATOM 1446 CA ILE A 95 -8.995 1.192 5.434 1.00 0.00 C ATOM 1447 C ILE A 95 -9.439 -0.245 5.150 1.00 0.00 C ATOM 1448 O ILE A 95 -10.314 -0.774 5.834 1.00 0.00 O ATOM 1449 CB ILE A 95 -8.032 1.316 6.616 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -8.040 2.737 7.184 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -6.624 0.862 6.227 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -7.038 2.875 8.331 1.00 0.00 C ATOM 0 H ILE A 95 -10.711 1.795 6.474 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.437 1.532 4.562 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.377 0.651 7.408 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.796 3.449 6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.040 2.985 7.539 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.960 0.961 7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.653 -0.180 5.908 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.255 1.481 5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.064 3.894 8.716 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.299 2.179 9.128 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.035 2.650 7.967 1.00 0.00 H new ATOM 1464 N TYR A 96 -8.815 -0.835 4.141 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.083 -2.222 3.804 1.00 0.00 C ATOM 1466 C TYR A 96 -7.808 -2.931 3.342 1.00 0.00 C ATOM 1467 O TYR A 96 -6.994 -2.348 2.627 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.082 -2.190 2.646 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.504 -1.807 3.061 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -11.853 -0.477 3.186 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.438 -2.792 3.312 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.191 -0.117 3.577 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -13.777 -2.432 3.703 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.087 -1.112 3.816 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.351 -0.772 4.185 1.00 0.00 O ATOM 0 H TYR A 96 -8.124 -0.377 3.546 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.466 -2.760 4.671 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.730 -1.482 1.896 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.105 -3.171 2.172 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.122 0.294 2.990 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.165 -3.832 3.215 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.477 0.920 3.678 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.518 -3.192 3.902 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.882 -1.585 4.321 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.674 -4.178 3.769 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.501 -4.964 3.427 1.00 0.00 C ATOM 1487 C LYS A 97 -6.910 -6.098 2.485 1.00 0.00 C ATOM 1488 O LYS A 97 -8.090 -6.430 2.382 1.00 0.00 O ATOM 1489 CB LYS A 97 -5.789 -5.444 4.694 1.00 0.00 C ATOM 1490 CG LYS A 97 -6.535 -6.618 5.330 1.00 0.00 C ATOM 1491 CD LYS A 97 -5.948 -7.954 4.870 1.00 0.00 C ATOM 1492 CE LYS A 97 -6.169 -9.042 5.922 1.00 0.00 C ATOM 1493 NZ LYS A 97 -7.616 -9.285 6.121 1.00 0.00 N ATOM 0 H LYS A 97 -8.359 -4.663 4.349 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.774 -4.351 2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.770 -5.745 4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.718 -4.624 5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.476 -6.545 6.416 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.591 -6.570 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -6.410 -8.254 3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.881 -7.840 4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.679 -9.964 5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.711 -8.743 6.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.747 -10.105 6.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -8.053 -8.446 6.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.065 -9.476 5.203 1.00 0.00 H new ATOM 1507 N THR A 98 -5.911 -6.661 1.820 1.00 0.00 N ATOM 1508 CA THR A 98 -6.149 -7.766 0.908 1.00 0.00 C ATOM 1509 C THR A 98 -4.864 -8.571 0.699 1.00 0.00 C ATOM 1510 O THR A 98 -3.765 -8.025 0.779 1.00 0.00 O ATOM 1511 CB THR A 98 -6.724 -7.194 -0.389 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.961 -8.341 -1.200 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.694 -6.385 -1.180 1.00 0.00 C ATOM 0 H THR A 98 -4.936 -6.372 1.895 1.00 0.00 H new ATOM 0 HA THR A 98 -6.873 -8.469 1.320 1.00 0.00 H new ATOM 0 HB THR A 98 -7.582 -6.562 -0.157 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.926 -8.464 -1.318 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.154 -6.002 -2.091 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.342 -5.551 -0.573 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.851 -7.025 -1.441 1.00 0.00 H new ATOM 1521 N THR A 99 -5.046 -9.857 0.435 1.00 0.00 N ATOM 1522 CA THR A 99 -3.931 -10.706 0.051 1.00 0.00 C ATOM 1523 C THR A 99 -4.265 -11.477 -1.228 1.00 0.00 C ATOM 1524 O THR A 99 -3.523 -12.371 -1.630 1.00 0.00 O ATOM 1525 CB THR A 99 -3.597 -11.613 1.236 1.00 0.00 C ATOM 1526 OG1 THR A 99 -4.807 -12.325 1.482 1.00 0.00 O ATOM 1527 CG2 THR A 99 -3.359 -10.826 2.527 1.00 0.00 C ATOM 0 H THR A 99 -5.948 -10.331 0.479 1.00 0.00 H new ATOM 0 HA THR A 99 -3.046 -10.115 -0.184 1.00 0.00 H new ATOM 0 HB THR A 99 -2.711 -12.203 1.002 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.678 -12.938 2.235 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.126 -11.517 3.337 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.525 -10.138 2.385 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.256 -10.261 2.779 1.00 0.00 H new ATOM 1535 N ASP A 100 -5.383 -11.101 -1.833 1.00 0.00 N ATOM 1536 CA ASP A 100 -5.972 -11.911 -2.886 1.00 0.00 C ATOM 1537 C ASP A 100 -5.934 -11.133 -4.203 1.00 0.00 C ATOM 1538 O ASP A 100 -6.507 -11.568 -5.201 1.00 0.00 O ATOM 1539 CB ASP A 100 -7.433 -12.241 -2.574 1.00 0.00 C ATOM 1540 CG ASP A 100 -8.280 -11.053 -2.112 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -8.394 -10.095 -2.906 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -8.795 -11.131 -0.976 1.00 0.00 O ATOM 0 H ASP A 100 -5.896 -10.247 -1.614 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.401 -12.836 -2.960 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.891 -12.670 -3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -7.459 -13.009 -1.801 1.00 0.00 H new ATOM 1547 N HIS A 101 -5.254 -9.997 -4.163 1.00 0.00 N ATOM 1548 CA HIS A 101 -5.081 -9.186 -5.356 1.00 0.00 C ATOM 1549 C HIS A 101 -6.449 -8.742 -5.878 1.00 0.00 C ATOM 1550 O HIS A 101 -6.920 -9.242 -6.898 1.00 0.00 O ATOM 1551 CB HIS A 101 -4.260 -9.935 -6.407 1.00 0.00 C ATOM 1552 CG HIS A 101 -3.663 -9.043 -7.470 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -2.314 -8.735 -7.520 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -4.245 -8.397 -8.521 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -2.105 -7.939 -8.558 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -3.303 -7.730 -9.177 1.00 0.00 N ATOM 0 H HIS A 101 -4.816 -9.619 -3.323 1.00 0.00 H new ATOM 0 HA HIS A 101 -4.516 -8.287 -5.110 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.456 -10.476 -5.908 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.895 -10.680 -6.887 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -5.294 -8.424 -8.776 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -1.154 -7.528 -8.861 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -3.450 -7.156 -10.007 1.00 0.00 H new ATOM 1564 N TYR A 102 -7.048 -7.808 -5.154 1.00 0.00 N ATOM 1565 CA TYR A 102 -8.165 -7.048 -5.689 1.00 0.00 C ATOM 1566 C TYR A 102 -9.281 -7.979 -6.169 1.00 0.00 C ATOM 1567 O TYR A 102 -9.905 -7.725 -7.198 1.00 0.00 O ATOM 1568 CB TYR A 102 -7.613 -6.273 -6.887 1.00 0.00 C ATOM 1569 CG TYR A 102 -8.607 -5.284 -7.500 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -9.219 -4.338 -6.703 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -8.891 -5.339 -8.849 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -10.154 -3.407 -7.280 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -9.826 -4.408 -9.426 1.00 0.00 C ATOM 1574 CZ TYR A 102 -10.412 -3.488 -8.613 1.00 0.00 C ATOM 1575 OH TYR A 102 -11.295 -2.610 -9.158 1.00 0.00 O ATOM 0 H TYR A 102 -6.781 -7.560 -4.201 1.00 0.00 H new ATOM 0 HA TYR A 102 -8.585 -6.393 -4.925 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.721 -5.730 -6.575 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.302 -6.983 -7.654 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.997 -4.296 -5.647 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -8.412 -6.080 -9.472 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.639 -2.661 -6.668 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -10.057 -4.439 -10.481 1.00 0.00 H new ATOM 0 HH TYR A 102 -11.380 -2.785 -10.119 1.00 0.00 H new ATOM 1585 N ALA A 103 -9.497 -9.037 -5.401 1.00 0.00 N ATOM 1586 CA ALA A 103 -10.726 -9.804 -5.513 1.00 0.00 C ATOM 1587 C ALA A 103 -11.680 -9.397 -4.388 1.00 0.00 C ATOM 1588 O ALA A 103 -12.810 -8.987 -4.645 1.00 0.00 O ATOM 1589 CB ALA A 103 -10.399 -11.298 -5.489 1.00 0.00 C ATOM 0 H ALA A 103 -8.842 -9.381 -4.699 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.225 -9.595 -6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.321 -11.874 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.743 -11.540 -6.325 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.900 -11.546 -4.552 1.00 0.00 H new ATOM 1595 N THR A 104 -11.188 -9.525 -3.164 1.00 0.00 N ATOM 1596 CA THR A 104 -11.976 -9.158 -1.999 1.00 0.00 C ATOM 1597 C THR A 104 -11.135 -8.330 -1.026 1.00 0.00 C ATOM 1598 O THR A 104 -9.917 -8.242 -1.172 1.00 0.00 O ATOM 1599 CB THR A 104 -12.532 -10.443 -1.381 1.00 0.00 C ATOM 1600 OG1 THR A 104 -11.402 -11.308 -1.305 1.00 0.00 O ATOM 1601 CG2 THR A 104 -13.498 -11.173 -2.316 1.00 0.00 C ATOM 0 H THR A 104 -10.254 -9.877 -2.954 1.00 0.00 H new ATOM 0 HA THR A 104 -12.817 -8.522 -2.274 1.00 0.00 H new ATOM 0 HB THR A 104 -13.042 -10.206 -0.447 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.605 -10.786 -1.076 1.00 0.00 H new ATOM 0 HG21 THR A 104 -13.863 -12.077 -1.829 1.00 0.00 H new ATOM 0 HG22 THR A 104 -14.340 -10.522 -2.550 1.00 0.00 H new ATOM 0 HG23 THR A 104 -12.980 -11.441 -3.237 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.819 -7.743 -0.054 1.00 0.00 N ATOM 1610 CA PHE A 105 -11.147 -6.948 0.959 1.00 0.00 C ATOM 1611 C PHE A 105 -11.760 -7.187 2.340 1.00 0.00 C ATOM 1612 O PHE A 105 -12.832 -7.780 2.453 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.340 -5.479 0.576 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.456 -5.018 -0.585 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -10.903 -5.128 -1.865 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -9.225 -4.498 -0.337 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -10.083 -4.699 -2.942 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -8.405 -4.069 -1.414 1.00 0.00 C ATOM 1619 CZ PHE A 105 -8.851 -4.179 -2.694 1.00 0.00 C ATOM 0 H PHE A 105 -12.832 -7.802 0.053 1.00 0.00 H new ATOM 0 HA PHE A 105 -10.093 -7.221 1.007 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.385 -5.318 0.310 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.133 -4.857 1.447 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -11.881 -5.541 -2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -8.870 -4.411 0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -10.438 -4.786 -3.958 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.427 -3.655 -1.217 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.227 -3.854 -3.513 1.00 0.00 H new ATOM 1629 N THR A 106 -11.054 -6.714 3.356 1.00 0.00 N ATOM 1630 CA THR A 106 -11.591 -6.718 4.706 1.00 0.00 C ATOM 1631 C THR A 106 -11.206 -5.429 5.437 1.00 0.00 C ATOM 1632 O THR A 106 -10.050 -5.012 5.398 1.00 0.00 O ATOM 1633 CB THR A 106 -11.098 -7.984 5.408 1.00 0.00 C ATOM 1634 OG1 THR A 106 -11.712 -9.045 4.682 1.00 0.00 O ATOM 1635 CG2 THR A 106 -11.661 -8.127 6.824 1.00 0.00 C ATOM 0 H THR A 106 -10.115 -6.325 3.272 1.00 0.00 H new ATOM 0 HA THR A 106 -12.681 -6.737 4.698 1.00 0.00 H new ATOM 0 HB THR A 106 -10.009 -7.974 5.450 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.445 -9.904 5.070 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.279 -9.042 7.277 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.356 -7.270 7.425 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.749 -8.170 6.780 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.197 -4.836 6.085 1.00 0.00 N ATOM 1644 CA ARG A 107 -11.978 -3.600 6.816 1.00 0.00 C ATOM 1645 C ARG A 107 -11.253 -3.883 8.133 1.00 0.00 C ATOM 1646 O ARG A 107 -11.700 -4.710 8.927 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.303 -2.893 7.113 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.071 -1.429 7.492 1.00 0.00 C ATOM 1649 CD ARG A 107 -14.391 -0.734 7.829 1.00 0.00 C ATOM 1650 NE ARG A 107 -14.931 -1.263 9.102 1.00 0.00 N ATOM 1651 CZ ARG A 107 -16.125 -0.929 9.609 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -16.881 -0.010 8.992 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -16.564 -1.512 10.732 1.00 0.00 N ATOM 0 H ARG A 107 -13.154 -5.188 6.119 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.364 -2.950 6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -13.952 -2.948 6.239 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -13.818 -3.405 7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -12.398 -1.373 8.348 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.582 -0.909 6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -14.235 0.342 7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.110 -0.892 7.026 1.00 0.00 H new ATOM 0 HE ARG A 107 -14.357 -1.924 9.626 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.547 0.435 8.137 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -17.790 0.245 9.378 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -15.989 -2.211 11.202 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.473 -1.257 11.117 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.146 -3.181 8.326 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.400 -3.284 9.569 1.00 0.00 C ATOM 1669 C ILE A 108 -9.504 -1.963 10.332 1.00 0.00 C ATOM 1670 O ILE A 108 -9.337 -1.930 11.550 1.00 0.00 O ATOM 1671 CB ILE A 108 -7.961 -3.725 9.295 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -6.977 -2.586 9.569 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -7.818 -4.278 7.875 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -6.994 -1.563 8.432 1.00 0.00 C ATOM 0 H ILE A 108 -9.747 -2.538 7.642 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.829 -4.056 10.208 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.715 -4.535 9.982 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.234 -2.096 10.508 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -5.971 -2.989 9.685 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.786 -4.584 7.706 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -8.476 -5.138 7.751 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.090 -3.506 7.155 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -6.286 -0.764 8.651 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -6.713 -2.051 7.499 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -7.996 -1.144 8.335 1.00 0.00 H new ATOM 1686 N ARG A 109 -9.778 -0.904 9.584 1.00 0.00 N ATOM 1687 CA ARG A 109 -9.894 0.419 10.173 1.00 0.00 C ATOM 1688 C ARG A 109 -8.978 0.539 11.393 1.00 0.00 C ATOM 1689 O ARG A 109 -9.494 0.959 12.451 1.00 0.00 O ATOM 1690 CB ARG A 109 -11.335 0.710 10.596 1.00 0.00 C ATOM 1691 CG ARG A 109 -11.869 -0.390 11.516 1.00 0.00 C ATOM 1692 CD ARG A 109 -13.179 0.039 12.181 1.00 0.00 C ATOM 1693 NE ARG A 109 -13.512 -0.887 13.286 1.00 0.00 N ATOM 1694 CZ ARG A 109 -12.945 -0.843 14.500 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -11.975 0.046 14.754 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -13.348 -1.688 15.459 1.00 0.00 N ATOM 0 H ARG A 109 -9.923 -0.936 8.575 1.00 0.00 H new ATOM 0 HA ARG A 109 -9.596 1.145 9.417 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -11.380 1.671 11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -11.968 0.789 9.712 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -12.030 -1.303 10.942 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -11.127 -0.621 12.281 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -13.087 1.056 12.563 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -13.984 0.046 11.446 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.217 -1.604 13.113 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.668 0.689 14.024 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.543 0.080 15.678 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -14.086 -2.365 15.265 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.916 -1.654 16.383 1.00 0.00 H new