USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 914 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 71 GLN : amide:sc= 0.0403 K(o=-2.9,f=-3.8) USER MOD Set 1.2: A 119 SER OG : rot -169:sc= -2.98! USER MOD Single : A 6 SER OG : rot 24:sc= 0.0978 USER MOD Single : A 7 THR OG1 : rot -66:sc= 1.19 USER MOD Single : A 8 THR OG1 : rot 31:sc= 0.173 USER MOD Single : A 12 GLN : amide:sc= -0.675 K(o=-0.68,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 77:sc= 1.04 USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.429) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= -0.0554 (180deg=-0.275) USER MOD Single : A 42 THR OG1 : rot 88:sc= 1.35 USER MOD Single : A 43 THR OG1 : rot -71:sc= 0.0801 USER MOD Single : A 44 MET CE :methyl 171:sc= 0 (180deg=-0.0331) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.342 USER MOD Single : A 48 LYS NZ :NH3+ -140:sc= 1.22 (180deg=-0.136!) USER MOD Single : A 52 ASN : amide:sc= -0.713 K(o=-0.71,f=-0.0046) USER MOD Single : A 53 LYS NZ :NH3+ 143:sc= 0.846 (180deg=0.0848) USER MOD Single : A 54 MET CE :methyl -170:sc= -0.339 (180deg=-0.516) USER MOD Single : A 55 GLN : amide:sc= -0.0885 X(o=-0.088,f=-0.088) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.497 K(o=0.5,f=-1) USER MOD Single : A 70 HIS : no HD1:sc= -0.779 K(o=-0.78,f=0.22) USER MOD Single : A 74 HIS : no HE2:sc= 1 K(o=1,f=-3.4!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -166:sc= -0.0392 (180deg=-0.287) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0507 K(o=-0.051,f=-1.9) USER MOD Single : A 93 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 95 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.3!) USER MOD Single : A 96 ASN : amide:sc= 0.201 K(o=0.2,f=-7.9!) USER MOD Single : A 99 HIS : no HD1:sc= -0.153 X(o=-0.15,f=0.011) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -0.281 K(o=-0.28,f=-2.4!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 112 ASN : amide:sc= 1.24 K(o=1.2,f=-0.43) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -130:sc= 0.355 (180deg=-0.125) USER MOD Single : A 121 LYS NZ :NH3+ -166:sc= -0.031 (180deg=-0.249) USER MOD ----------------------------------------------------------------- ATOM 85 N SER A 6 6.459 9.488 -4.641 1.00 0.00 N ATOM 86 CA SER A 6 5.167 10.083 -4.337 1.00 0.00 C ATOM 87 C SER A 6 5.123 10.546 -2.885 1.00 0.00 C ATOM 88 O SER A 6 4.964 9.737 -1.971 1.00 0.00 O ATOM 89 CB SER A 6 4.055 9.070 -4.613 1.00 0.00 C ATOM 90 OG SER A 6 4.105 8.633 -5.961 1.00 0.00 O ATOM 0 HA SER A 6 5.017 10.954 -4.975 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.159 8.216 -3.944 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.084 9.521 -4.406 1.00 0.00 H new ATOM 0 HG SER A 6 5.014 8.750 -6.309 1.00 0.00 H new ATOM 96 N THR A 7 5.299 11.845 -2.677 1.00 0.00 N ATOM 97 CA THR A 7 5.274 12.411 -1.339 1.00 0.00 C ATOM 98 C THR A 7 3.841 12.565 -0.841 1.00 0.00 C ATOM 99 O THR A 7 2.896 12.136 -1.508 1.00 0.00 O ATOM 100 CB THR A 7 5.987 13.778 -1.293 1.00 0.00 C ATOM 101 OG1 THR A 7 5.338 14.708 -2.171 1.00 0.00 O ATOM 102 CG2 THR A 7 7.451 13.637 -1.683 1.00 0.00 C ATOM 0 H THR A 7 5.461 12.525 -3.420 1.00 0.00 H new ATOM 0 HA THR A 7 5.807 11.720 -0.686 1.00 0.00 H new ATOM 0 HB THR A 7 5.933 14.154 -0.271 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.450 14.414 -3.099 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.934 14.613 -1.644 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.948 12.958 -0.990 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.521 13.238 -2.695 1.00 0.00 H new ATOM 110 N THR A 8 3.679 13.182 0.321 1.00 0.00 N ATOM 111 CA THR A 8 2.364 13.374 0.909 1.00 0.00 C ATOM 112 C THR A 8 1.452 14.165 -0.030 1.00 0.00 C ATOM 113 O THR A 8 0.269 13.853 -0.169 1.00 0.00 O ATOM 114 CB THR A 8 2.470 14.098 2.264 1.00 0.00 C ATOM 115 OG1 THR A 8 3.489 13.484 3.066 1.00 0.00 O ATOM 116 CG2 THR A 8 1.147 14.051 3.009 1.00 0.00 C ATOM 0 H THR A 8 4.447 13.559 0.876 1.00 0.00 H new ATOM 0 HA THR A 8 1.929 12.388 1.069 1.00 0.00 H new ATOM 0 HB THR A 8 2.727 15.140 2.074 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.190 13.123 2.484 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.248 14.569 3.963 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.376 14.537 2.412 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.867 13.013 3.188 1.00 0.00 H new ATOM 124 N GLU A 9 2.011 15.171 -0.692 1.00 0.00 N ATOM 125 CA GLU A 9 1.244 15.987 -1.620 1.00 0.00 C ATOM 126 C GLU A 9 0.780 15.174 -2.824 1.00 0.00 C ATOM 127 O GLU A 9 -0.382 15.255 -3.227 1.00 0.00 O ATOM 128 CB GLU A 9 2.057 17.186 -2.094 1.00 0.00 C ATOM 129 CG GLU A 9 2.388 18.169 -0.991 1.00 0.00 C ATOM 130 CD GLU A 9 2.989 19.448 -1.527 1.00 0.00 C ATOM 131 OE1 GLU A 9 4.203 19.465 -1.818 1.00 0.00 O ATOM 132 OE2 GLU A 9 2.247 20.444 -1.664 1.00 0.00 O ATOM 0 H GLU A 9 2.991 15.439 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 9 0.365 16.344 -1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.985 16.831 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.502 17.704 -2.876 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.483 18.402 -0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.085 17.707 -0.292 1.00 0.00 H new ATOM 139 N ASP A 10 1.690 14.389 -3.388 1.00 0.00 N ATOM 140 CA ASP A 10 1.371 13.551 -4.541 1.00 0.00 C ATOM 141 C ASP A 10 0.322 12.516 -4.163 1.00 0.00 C ATOM 142 O ASP A 10 -0.596 12.231 -4.932 1.00 0.00 O ATOM 143 CB ASP A 10 2.616 12.836 -5.069 1.00 0.00 C ATOM 144 CG ASP A 10 3.749 13.779 -5.409 1.00 0.00 C ATOM 145 OD1 ASP A 10 3.741 14.352 -6.514 1.00 0.00 O ATOM 146 OD2 ASP A 10 4.667 13.937 -4.573 1.00 0.00 O ATOM 0 H ASP A 10 2.655 14.314 -3.067 1.00 0.00 H new ATOM 0 HA ASP A 10 0.983 14.201 -5.325 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.960 12.121 -4.322 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.349 12.265 -5.958 1.00 0.00 H new ATOM 151 N LEU A 11 0.458 11.976 -2.957 1.00 0.00 N ATOM 152 CA LEU A 11 -0.450 10.955 -2.461 1.00 0.00 C ATOM 153 C LEU A 11 -1.871 11.498 -2.340 1.00 0.00 C ATOM 154 O LEU A 11 -2.841 10.796 -2.624 1.00 0.00 O ATOM 155 CB LEU A 11 0.039 10.418 -1.112 1.00 0.00 C ATOM 156 CG LEU A 11 -0.873 9.384 -0.469 1.00 0.00 C ATOM 157 CD1 LEU A 11 -0.940 8.140 -1.332 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.386 9.042 0.931 1.00 0.00 C ATOM 0 H LEU A 11 1.196 12.233 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.465 10.134 -3.178 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.026 9.976 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.157 11.256 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.876 9.803 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.595 7.406 -0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.332 8.400 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.059 7.718 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.050 8.301 1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.625 8.637 0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.383 9.942 1.545 1.00 0.00 H new ATOM 170 N GLN A 12 -1.986 12.764 -1.956 1.00 0.00 N ATOM 171 CA GLN A 12 -3.290 13.397 -1.788 1.00 0.00 C ATOM 172 C GLN A 12 -3.970 13.588 -3.137 1.00 0.00 C ATOM 173 O GLN A 12 -5.193 13.700 -3.221 1.00 0.00 O ATOM 174 CB GLN A 12 -3.150 14.743 -1.076 1.00 0.00 C ATOM 175 CG GLN A 12 -2.733 14.634 0.382 1.00 0.00 C ATOM 176 CD GLN A 12 -2.485 15.987 1.017 1.00 0.00 C ATOM 177 OE1 GLN A 12 -3.393 16.610 1.566 1.00 0.00 O ATOM 178 NE2 GLN A 12 -1.248 16.446 0.951 1.00 0.00 N ATOM 0 H GLN A 12 -1.193 13.373 -1.755 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.908 12.741 -1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.417 15.349 -1.608 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.101 15.272 -1.132 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.509 14.111 0.940 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.828 14.031 0.454 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.525 15.897 0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.016 17.349 1.365 1.00 0.00 H new ATOM 187 N ARG A 13 -3.168 13.602 -4.191 1.00 0.00 N ATOM 188 CA ARG A 13 -3.684 13.774 -5.534 1.00 0.00 C ATOM 189 C ARG A 13 -4.319 12.473 -6.016 1.00 0.00 C ATOM 190 O ARG A 13 -5.483 12.449 -6.410 1.00 0.00 O ATOM 191 CB ARG A 13 -2.563 14.196 -6.482 1.00 0.00 C ATOM 192 CG ARG A 13 -3.064 14.787 -7.788 1.00 0.00 C ATOM 193 CD ARG A 13 -3.560 16.210 -7.587 1.00 0.00 C ATOM 194 NE ARG A 13 -2.489 17.100 -7.130 1.00 0.00 N ATOM 195 CZ ARG A 13 -2.692 18.289 -6.563 1.00 0.00 C ATOM 196 NH1 ARG A 13 -3.925 18.720 -6.325 1.00 0.00 N ATOM 197 NH2 ARG A 13 -1.654 19.041 -6.221 1.00 0.00 N ATOM 0 H ARG A 13 -2.155 13.496 -4.138 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.443 14.557 -5.523 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.930 14.928 -5.980 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.938 13.330 -6.700 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.262 14.778 -8.526 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.870 14.170 -8.185 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.971 16.587 -8.523 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.371 16.213 -6.858 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.525 16.789 -7.254 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.725 18.140 -6.576 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.072 19.631 -5.891 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.705 18.709 -6.392 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.805 19.952 -5.787 1.00 0.00 H new ATOM 211 N TYR A 14 -3.552 11.383 -5.943 1.00 0.00 N ATOM 212 CA TYR A 14 -4.019 10.077 -6.407 1.00 0.00 C ATOM 213 C TYR A 14 -5.229 9.610 -5.609 1.00 0.00 C ATOM 214 O TYR A 14 -6.188 9.080 -6.168 1.00 0.00 O ATOM 215 CB TYR A 14 -2.913 9.028 -6.292 1.00 0.00 C ATOM 216 CG TYR A 14 -1.633 9.416 -6.995 1.00 0.00 C ATOM 217 CD1 TYR A 14 -1.648 9.778 -8.333 1.00 0.00 C ATOM 218 CD2 TYR A 14 -0.413 9.414 -6.328 1.00 0.00 C ATOM 219 CE1 TYR A 14 -0.488 10.129 -8.990 1.00 0.00 C ATOM 220 CE2 TYR A 14 0.754 9.765 -6.978 1.00 0.00 C ATOM 221 CZ TYR A 14 0.710 10.122 -8.309 1.00 0.00 C ATOM 222 OH TYR A 14 1.869 10.475 -8.964 1.00 0.00 O ATOM 0 H TYR A 14 -2.604 11.380 -5.566 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.302 10.191 -7.453 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.699 8.852 -5.238 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.273 8.086 -6.706 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.585 9.785 -8.870 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.377 9.134 -5.286 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.518 10.408 -10.033 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.695 9.760 -6.447 1.00 0.00 H new ATOM 0 HH TYR A 14 2.625 10.420 -8.343 1.00 0.00 H new ATOM 232 N ARG A 15 -5.179 9.831 -4.302 1.00 0.00 N ATOM 233 CA ARG A 15 -6.226 9.371 -3.401 1.00 0.00 C ATOM 234 C ARG A 15 -7.547 10.071 -3.702 1.00 0.00 C ATOM 235 O ARG A 15 -8.619 9.478 -3.587 1.00 0.00 O ATOM 236 CB ARG A 15 -5.769 9.577 -1.950 1.00 0.00 C ATOM 237 CG ARG A 15 -6.808 10.168 -1.010 1.00 0.00 C ATOM 238 CD ARG A 15 -6.286 10.191 0.419 1.00 0.00 C ATOM 239 NE ARG A 15 -7.309 10.592 1.379 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.450 10.044 2.584 1.00 0.00 C ATOM 241 NH1 ARG A 15 -6.652 9.051 2.973 1.00 0.00 N ATOM 242 NH2 ARG A 15 -8.403 10.485 3.392 1.00 0.00 N ATOM 0 H ARG A 15 -4.418 10.330 -3.840 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.402 8.306 -3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.448 8.615 -1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.895 10.229 -1.952 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -7.060 11.180 -1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.725 9.581 -1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.913 9.201 0.682 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.442 10.878 0.484 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.954 11.336 1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.926 8.705 2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.767 8.637 3.898 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.021 11.238 3.089 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.519 10.071 4.317 1.00 0.00 H new ATOM 256 N THR A 16 -7.451 11.321 -4.129 1.00 0.00 N ATOM 257 CA THR A 16 -8.614 12.094 -4.522 1.00 0.00 C ATOM 258 C THR A 16 -9.318 11.448 -5.716 1.00 0.00 C ATOM 259 O THR A 16 -10.526 11.187 -5.680 1.00 0.00 O ATOM 260 CB THR A 16 -8.194 13.533 -4.878 1.00 0.00 C ATOM 261 OG1 THR A 16 -7.852 14.250 -3.684 1.00 0.00 O ATOM 262 CG2 THR A 16 -9.285 14.266 -5.643 1.00 0.00 C ATOM 0 H THR A 16 -6.568 11.824 -4.212 1.00 0.00 H new ATOM 0 HA THR A 16 -9.309 12.118 -3.683 1.00 0.00 H new ATOM 0 HB THR A 16 -7.321 13.477 -5.529 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.919 14.066 -3.448 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.950 15.277 -5.875 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.501 13.733 -6.569 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.187 14.314 -5.034 1.00 0.00 H new ATOM 270 N GLU A 17 -8.546 11.169 -6.760 1.00 0.00 N ATOM 271 CA GLU A 17 -9.100 10.629 -7.993 1.00 0.00 C ATOM 272 C GLU A 17 -9.672 9.230 -7.766 1.00 0.00 C ATOM 273 O GLU A 17 -10.734 8.896 -8.289 1.00 0.00 O ATOM 274 CB GLU A 17 -8.040 10.578 -9.099 1.00 0.00 C ATOM 275 CG GLU A 17 -7.014 11.695 -9.039 1.00 0.00 C ATOM 276 CD GLU A 17 -6.000 11.595 -10.159 1.00 0.00 C ATOM 277 OE1 GLU A 17 -5.870 12.555 -10.943 1.00 0.00 O ATOM 278 OE2 GLU A 17 -5.342 10.540 -10.273 1.00 0.00 O ATOM 0 H GLU A 17 -7.536 11.308 -6.776 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.904 11.294 -8.309 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.521 9.621 -9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.541 10.613 -10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.522 12.658 -9.095 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.498 11.662 -8.079 1.00 0.00 H new ATOM 285 N CYS A 18 -8.976 8.418 -6.970 1.00 0.00 N ATOM 286 CA CYS A 18 -9.427 7.060 -6.687 1.00 0.00 C ATOM 287 C CYS A 18 -10.747 7.077 -5.931 1.00 0.00 C ATOM 288 O CYS A 18 -11.603 6.217 -6.142 1.00 0.00 O ATOM 289 CB CYS A 18 -8.375 6.275 -5.900 1.00 0.00 C ATOM 290 SG CYS A 18 -6.851 5.938 -6.843 1.00 0.00 S ATOM 0 H CYS A 18 -8.102 8.678 -6.513 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.578 6.558 -7.643 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.118 6.832 -4.999 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.808 5.328 -5.577 1.00 0.00 H new ATOM 295 N VAL A 19 -10.922 8.074 -5.072 1.00 0.00 N ATOM 296 CA VAL A 19 -12.160 8.227 -4.333 1.00 0.00 C ATOM 297 C VAL A 19 -13.317 8.508 -5.281 1.00 0.00 C ATOM 298 O VAL A 19 -14.339 7.821 -5.254 1.00 0.00 O ATOM 299 CB VAL A 19 -12.052 9.343 -3.268 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.421 9.902 -2.917 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.364 8.810 -2.021 1.00 0.00 C ATOM 0 H VAL A 19 -10.220 8.786 -4.873 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.352 7.289 -3.813 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.455 10.154 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.313 10.685 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.884 10.319 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.049 9.104 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.293 9.604 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.942 7.981 -1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.363 8.463 -2.278 1.00 0.00 H new ATOM 311 N SER A 20 -13.130 9.498 -6.138 1.00 0.00 N ATOM 312 CA SER A 20 -14.162 9.906 -7.075 1.00 0.00 C ATOM 313 C SER A 20 -14.445 8.816 -8.117 1.00 0.00 C ATOM 314 O SER A 20 -15.579 8.668 -8.575 1.00 0.00 O ATOM 315 CB SER A 20 -13.739 11.206 -7.757 1.00 0.00 C ATOM 316 OG SER A 20 -14.793 11.755 -8.529 1.00 0.00 O ATOM 0 H SER A 20 -12.266 10.037 -6.204 1.00 0.00 H new ATOM 0 HA SER A 20 -15.087 10.068 -6.522 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.425 11.928 -7.003 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.877 11.018 -8.397 1.00 0.00 H new ATOM 0 HG SER A 20 -14.491 12.586 -8.951 1.00 0.00 H new ATOM 322 N SER A 21 -13.426 8.042 -8.480 1.00 0.00 N ATOM 323 CA SER A 21 -13.586 7.003 -9.491 1.00 0.00 C ATOM 324 C SER A 21 -14.297 5.784 -8.915 1.00 0.00 C ATOM 325 O SER A 21 -15.260 5.286 -9.494 1.00 0.00 O ATOM 326 CB SER A 21 -12.224 6.595 -10.045 1.00 0.00 C ATOM 327 OG SER A 21 -11.562 7.695 -10.648 1.00 0.00 O ATOM 0 H SER A 21 -12.486 8.114 -8.091 1.00 0.00 H new ATOM 0 HA SER A 21 -14.197 7.407 -10.298 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.608 6.193 -9.241 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.351 5.798 -10.778 1.00 0.00 H new ATOM 0 HG SER A 21 -11.196 8.279 -9.951 1.00 0.00 H new ATOM 333 N LEU A 22 -13.834 5.318 -7.761 1.00 0.00 N ATOM 334 CA LEU A 22 -14.380 4.111 -7.153 1.00 0.00 C ATOM 335 C LEU A 22 -15.636 4.415 -6.341 1.00 0.00 C ATOM 336 O LEU A 22 -16.123 3.563 -5.598 1.00 0.00 O ATOM 337 CB LEU A 22 -13.320 3.453 -6.273 1.00 0.00 C ATOM 338 CG LEU A 22 -12.112 2.912 -7.034 1.00 0.00 C ATOM 339 CD1 LEU A 22 -11.000 2.552 -6.069 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.510 1.700 -7.854 1.00 0.00 C ATOM 0 H LEU A 22 -13.083 5.757 -7.228 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.664 3.424 -7.950 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.975 4.179 -5.537 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.782 2.635 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.749 3.687 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.145 2.168 -6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.701 3.439 -5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.353 1.790 -5.375 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.640 1.323 -8.392 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.892 0.923 -7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.284 1.982 -8.568 1.00 0.00 H new ATOM 352 N ASN A 23 -16.148 5.638 -6.496 1.00 0.00 N ATOM 353 CA ASN A 23 -17.363 6.084 -5.807 1.00 0.00 C ATOM 354 C ASN A 23 -17.255 5.887 -4.297 1.00 0.00 C ATOM 355 O ASN A 23 -18.246 5.584 -3.632 1.00 0.00 O ATOM 356 CB ASN A 23 -18.593 5.342 -6.341 1.00 0.00 C ATOM 357 CG ASN A 23 -18.829 5.574 -7.822 1.00 0.00 C ATOM 358 OD1 ASN A 23 -18.497 6.629 -8.364 1.00 0.00 O ATOM 359 ND2 ASN A 23 -19.413 4.590 -8.485 1.00 0.00 N ATOM 0 H ASN A 23 -15.734 6.347 -7.101 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.475 7.150 -6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.473 4.274 -6.161 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.474 5.662 -5.784 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -19.604 4.690 -9.482 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -19.673 3.731 -7.999 1.00 0.00 H new ATOM 366 N ILE A 24 -16.052 6.067 -3.762 1.00 0.00 N ATOM 367 CA ILE A 24 -15.806 5.889 -2.341 1.00 0.00 C ATOM 368 C ILE A 24 -16.594 6.916 -1.529 1.00 0.00 C ATOM 369 O ILE A 24 -16.392 8.123 -1.680 1.00 0.00 O ATOM 370 CB ILE A 24 -14.304 6.026 -2.010 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.455 5.135 -2.932 1.00 0.00 C ATOM 372 CG2 ILE A 24 -14.054 5.674 -0.550 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.716 3.649 -2.776 1.00 0.00 C ATOM 0 H ILE A 24 -15.228 6.338 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.134 4.884 -2.077 1.00 0.00 H new ATOM 0 HB ILE A 24 -14.009 7.062 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.644 5.419 -3.967 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.401 5.330 -2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.991 5.774 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.623 6.349 0.090 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.368 4.647 -0.364 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.077 3.093 -3.462 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.498 3.347 -1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.761 3.437 -3.002 1.00 0.00 H new ATOM 385 N PRO A 25 -17.514 6.440 -0.673 1.00 0.00 N ATOM 386 CA PRO A 25 -18.337 7.304 0.182 1.00 0.00 C ATOM 387 C PRO A 25 -17.492 8.175 1.103 1.00 0.00 C ATOM 388 O PRO A 25 -16.439 7.756 1.596 1.00 0.00 O ATOM 389 CB PRO A 25 -19.177 6.319 0.999 1.00 0.00 C ATOM 390 CG PRO A 25 -19.138 5.042 0.246 1.00 0.00 C ATOM 391 CD PRO A 25 -17.820 5.015 -0.473 1.00 0.00 C ATOM 0 HA PRO A 25 -18.935 8.001 -0.405 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.770 6.195 2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -20.201 6.676 1.112 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -19.230 4.190 0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.967 4.981 -0.459 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -17.050 4.517 0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.890 4.482 -1.421 1.00 0.00 H new ATOM 399 N ALA A 26 -17.980 9.396 1.322 1.00 0.00 N ATOM 400 CA ALA A 26 -17.287 10.407 2.117 1.00 0.00 C ATOM 401 C ALA A 26 -16.926 9.892 3.502 1.00 0.00 C ATOM 402 O ALA A 26 -15.879 10.243 4.040 1.00 0.00 O ATOM 403 CB ALA A 26 -18.156 11.645 2.238 1.00 0.00 C ATOM 0 H ALA A 26 -18.875 9.713 0.949 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.357 10.654 1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.637 12.397 2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -18.361 12.044 1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -19.096 11.384 2.725 1.00 0.00 H new ATOM 409 N ASP A 27 -17.803 9.073 4.072 1.00 0.00 N ATOM 410 CA ASP A 27 -17.559 8.468 5.380 1.00 0.00 C ATOM 411 C ASP A 27 -16.227 7.724 5.402 1.00 0.00 C ATOM 412 O ASP A 27 -15.420 7.904 6.317 1.00 0.00 O ATOM 413 CB ASP A 27 -18.692 7.513 5.742 1.00 0.00 C ATOM 414 CG ASP A 27 -18.436 6.772 7.040 1.00 0.00 C ATOM 415 OD1 ASP A 27 -18.613 7.374 8.121 1.00 0.00 O ATOM 416 OD2 ASP A 27 -18.070 5.580 6.983 1.00 0.00 O ATOM 0 H ASP A 27 -18.693 8.811 3.648 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.517 9.270 6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.623 8.074 5.825 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.826 6.791 4.936 1.00 0.00 H new ATOM 421 N TYR A 28 -16.001 6.892 4.391 1.00 0.00 N ATOM 422 CA TYR A 28 -14.755 6.154 4.271 1.00 0.00 C ATOM 423 C TYR A 28 -13.572 7.097 4.105 1.00 0.00 C ATOM 424 O TYR A 28 -12.510 6.865 4.671 1.00 0.00 O ATOM 425 CB TYR A 28 -14.826 5.183 3.095 1.00 0.00 C ATOM 426 CG TYR A 28 -15.663 3.958 3.375 1.00 0.00 C ATOM 427 CD1 TYR A 28 -17.042 4.001 3.244 1.00 0.00 C ATOM 428 CD2 TYR A 28 -15.078 2.759 3.767 1.00 0.00 C ATOM 429 CE1 TYR A 28 -17.817 2.890 3.494 1.00 0.00 C ATOM 430 CE2 TYR A 28 -15.848 1.640 4.020 1.00 0.00 C ATOM 431 CZ TYR A 28 -17.217 1.711 3.882 1.00 0.00 C ATOM 432 OH TYR A 28 -17.991 0.601 4.130 1.00 0.00 O ATOM 0 H TYR A 28 -16.669 6.713 3.641 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.609 5.587 5.190 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -15.236 5.703 2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.816 4.870 2.831 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -17.517 4.922 2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -14.005 2.702 3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -18.890 2.942 3.386 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -15.380 0.716 4.324 1.00 0.00 H new ATOM 0 HH TYR A 28 -17.415 -0.147 4.392 1.00 0.00 H new ATOM 442 N VAL A 29 -13.770 8.166 3.338 1.00 0.00 N ATOM 443 CA VAL A 29 -12.719 9.148 3.095 1.00 0.00 C ATOM 444 C VAL A 29 -12.185 9.726 4.407 1.00 0.00 C ATOM 445 O VAL A 29 -10.969 9.824 4.603 1.00 0.00 O ATOM 446 CB VAL A 29 -13.223 10.287 2.193 1.00 0.00 C ATOM 447 CG1 VAL A 29 -12.122 11.304 1.948 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.733 9.725 0.881 1.00 0.00 C ATOM 0 H VAL A 29 -14.653 8.374 2.872 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.906 8.630 2.586 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.045 10.794 2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.499 12.101 1.308 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.798 11.725 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.278 10.816 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.088 10.540 0.250 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.926 9.197 0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.553 9.034 1.076 1.00 0.00 H new ATOM 458 N GLU A 30 -13.093 10.092 5.310 1.00 0.00 N ATOM 459 CA GLU A 30 -12.706 10.625 6.615 1.00 0.00 C ATOM 460 C GLU A 30 -11.908 9.587 7.401 1.00 0.00 C ATOM 461 O GLU A 30 -10.898 9.903 8.031 1.00 0.00 O ATOM 462 CB GLU A 30 -13.936 11.039 7.422 1.00 0.00 C ATOM 463 CG GLU A 30 -15.008 11.711 6.589 1.00 0.00 C ATOM 464 CD GLU A 30 -16.133 12.270 7.432 1.00 0.00 C ATOM 465 OE1 GLU A 30 -17.165 11.584 7.589 1.00 0.00 O ATOM 466 OE2 GLU A 30 -15.986 13.396 7.954 1.00 0.00 O ATOM 0 H GLU A 30 -14.100 10.029 5.162 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.084 11.504 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.360 10.157 7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.627 11.717 8.218 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.560 12.516 6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.414 10.992 5.878 1.00 0.00 H new ATOM 473 N LYS A 31 -12.351 8.341 7.324 1.00 0.00 N ATOM 474 CA LYS A 31 -11.742 7.256 8.082 1.00 0.00 C ATOM 475 C LYS A 31 -10.367 6.869 7.512 1.00 0.00 C ATOM 476 O LYS A 31 -9.490 6.404 8.246 1.00 0.00 O ATOM 477 CB LYS A 31 -12.723 6.071 8.139 1.00 0.00 C ATOM 478 CG LYS A 31 -12.249 4.771 7.506 1.00 0.00 C ATOM 479 CD LYS A 31 -13.332 3.702 7.597 1.00 0.00 C ATOM 480 CE LYS A 31 -13.723 3.403 9.043 1.00 0.00 C ATOM 481 NZ LYS A 31 -14.903 2.504 9.127 1.00 0.00 N ATOM 0 H LYS A 31 -13.136 8.054 6.740 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.549 7.587 9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.962 5.875 9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.650 6.371 7.651 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.988 4.943 6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.346 4.424 8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.212 4.030 7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.979 2.787 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.880 2.943 9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.942 4.337 9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.878 1.982 10.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.774 3.070 9.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.883 1.830 8.335 1.00 0.00 H new ATOM 495 N PHE A 32 -10.157 7.102 6.215 1.00 0.00 N ATOM 496 CA PHE A 32 -8.865 6.832 5.600 1.00 0.00 C ATOM 497 C PHE A 32 -7.883 7.953 5.916 1.00 0.00 C ATOM 498 O PHE A 32 -6.674 7.774 5.823 1.00 0.00 O ATOM 499 CB PHE A 32 -8.979 6.664 4.079 1.00 0.00 C ATOM 500 CG PHE A 32 -9.893 5.556 3.637 1.00 0.00 C ATOM 501 CD1 PHE A 32 -10.595 5.660 2.448 1.00 0.00 C ATOM 502 CD2 PHE A 32 -10.047 4.409 4.402 1.00 0.00 C ATOM 503 CE1 PHE A 32 -11.433 4.645 2.030 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.885 3.393 3.989 1.00 0.00 C ATOM 505 CZ PHE A 32 -11.578 3.511 2.802 1.00 0.00 C ATOM 0 H PHE A 32 -10.862 7.474 5.578 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.499 5.894 6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.332 7.601 3.649 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.985 6.481 3.672 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.486 6.546 1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.505 4.310 5.331 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.974 4.739 1.100 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.998 2.506 4.595 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.233 2.716 2.477 1.00 0.00 H new ATOM 515 N LYS A 33 -8.409 9.114 6.298 1.00 0.00 N ATOM 516 CA LYS A 33 -7.574 10.254 6.650 1.00 0.00 C ATOM 517 C LYS A 33 -7.037 10.077 8.065 1.00 0.00 C ATOM 518 O LYS A 33 -6.145 10.801 8.509 1.00 0.00 O ATOM 519 CB LYS A 33 -8.374 11.550 6.562 1.00 0.00 C ATOM 520 CG LYS A 33 -7.503 12.767 6.294 1.00 0.00 C ATOM 521 CD LYS A 33 -8.309 14.058 6.309 1.00 0.00 C ATOM 522 CE LYS A 33 -9.395 14.060 5.246 1.00 0.00 C ATOM 523 NZ LYS A 33 -10.207 15.302 5.286 1.00 0.00 N ATOM 0 H LYS A 33 -9.411 9.288 6.371 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.742 10.309 5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.116 11.459 5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.919 11.698 7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.716 12.822 7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.013 12.656 5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.762 14.192 7.291 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.642 14.905 6.148 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.939 13.956 4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.045 13.197 5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.936 15.264 4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.663 15.389 6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.592 16.124 5.124 1.00 0.00 H new ATOM 537 N LYS A 34 -7.599 9.106 8.770 1.00 0.00 N ATOM 538 CA LYS A 34 -7.178 8.794 10.125 1.00 0.00 C ATOM 539 C LYS A 34 -6.357 7.513 10.142 1.00 0.00 C ATOM 540 O LYS A 34 -6.191 6.877 11.186 1.00 0.00 O ATOM 541 CB LYS A 34 -8.399 8.658 11.041 1.00 0.00 C ATOM 542 CG LYS A 34 -9.047 9.986 11.399 1.00 0.00 C ATOM 543 CD LYS A 34 -8.139 10.842 12.273 1.00 0.00 C ATOM 544 CE LYS A 34 -7.845 10.169 13.607 1.00 0.00 C ATOM 545 NZ LYS A 34 -9.088 9.851 14.355 1.00 0.00 N ATOM 0 H LYS A 34 -8.355 8.517 8.421 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.555 9.609 10.494 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.139 8.023 10.553 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.099 8.151 11.958 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.290 10.529 10.486 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.986 9.803 11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.203 11.034 11.748 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.610 11.809 12.449 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.281 9.252 13.434 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.215 10.822 14.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.849 9.602 15.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.717 10.680 14.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.570 9.049 13.902 1.00 0.00 H new ATOM 559 N TRP A 35 -5.837 7.162 8.967 1.00 0.00 N ATOM 560 CA TRP A 35 -5.069 5.935 8.767 1.00 0.00 C ATOM 561 C TRP A 35 -5.795 4.708 9.313 1.00 0.00 C ATOM 562 O TRP A 35 -5.211 3.895 10.033 1.00 0.00 O ATOM 563 CB TRP A 35 -3.688 6.062 9.409 1.00 0.00 C ATOM 564 CG TRP A 35 -2.796 7.046 8.714 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.744 8.392 8.927 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.827 6.761 7.695 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.793 8.962 8.117 1.00 0.00 N ATOM 568 CE2 TRP A 35 -1.219 7.984 7.348 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.409 5.596 7.044 1.00 0.00 C ATOM 570 CZ2 TRP A 35 -0.219 8.072 6.385 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.418 5.686 6.086 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.169 6.913 5.765 1.00 0.00 C ATOM 0 H TRP A 35 -5.938 7.725 8.122 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.954 5.795 7.692 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.806 6.362 10.450 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.206 5.085 9.412 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.361 8.931 9.630 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.553 9.953 8.092 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.854 4.642 7.286 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.235 9.019 6.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.091 4.792 5.576 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.944 6.949 5.013 1.00 0.00 H new ATOM 583 N GLU A 36 -7.070 4.578 8.977 1.00 0.00 N ATOM 584 CA GLU A 36 -7.842 3.415 9.369 1.00 0.00 C ATOM 585 C GLU A 36 -8.359 2.707 8.132 1.00 0.00 C ATOM 586 O GLU A 36 -9.154 3.259 7.372 1.00 0.00 O ATOM 587 CB GLU A 36 -8.998 3.816 10.279 1.00 0.00 C ATOM 588 CG GLU A 36 -9.790 2.638 10.806 1.00 0.00 C ATOM 589 CD GLU A 36 -10.802 3.040 11.854 1.00 0.00 C ATOM 590 OE1 GLU A 36 -11.865 3.576 11.492 1.00 0.00 O ATOM 591 OE2 GLU A 36 -10.538 2.811 13.053 1.00 0.00 O ATOM 0 H GLU A 36 -7.590 5.267 8.433 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.198 2.735 9.926 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.606 4.386 11.121 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.668 4.478 9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.304 2.151 9.978 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.104 1.905 11.231 1.00 0.00 H new ATOM 598 N PHE A 37 -7.889 1.490 7.924 1.00 0.00 N ATOM 599 CA PHE A 37 -8.251 0.732 6.736 1.00 0.00 C ATOM 600 C PHE A 37 -8.861 -0.613 7.131 1.00 0.00 C ATOM 601 O PHE A 37 -8.170 -1.632 7.168 1.00 0.00 O ATOM 602 CB PHE A 37 -7.018 0.518 5.845 1.00 0.00 C ATOM 603 CG PHE A 37 -6.229 1.778 5.589 1.00 0.00 C ATOM 604 CD1 PHE A 37 -6.495 2.578 4.486 1.00 0.00 C ATOM 605 CD2 PHE A 37 -5.221 2.165 6.462 1.00 0.00 C ATOM 606 CE1 PHE A 37 -5.771 3.735 4.263 1.00 0.00 C ATOM 607 CE2 PHE A 37 -4.497 3.319 6.242 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.771 4.105 5.142 1.00 0.00 C ATOM 0 H PHE A 37 -7.257 1.005 8.560 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.993 1.298 6.173 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.366 -0.220 6.313 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.338 0.100 4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.275 2.294 3.795 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.001 1.554 7.325 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -5.987 4.350 3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.716 3.607 6.931 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.205 5.008 4.968 1.00 0.00 H new ATOM 618 N PRO A 38 -10.164 -0.620 7.452 1.00 0.00 N ATOM 619 CA PRO A 38 -10.889 -1.838 7.838 1.00 0.00 C ATOM 620 C PRO A 38 -10.957 -2.861 6.714 1.00 0.00 C ATOM 621 O PRO A 38 -10.857 -2.519 5.531 1.00 0.00 O ATOM 622 CB PRO A 38 -12.297 -1.334 8.170 1.00 0.00 C ATOM 623 CG PRO A 38 -12.135 0.124 8.407 1.00 0.00 C ATOM 624 CD PRO A 38 -11.041 0.557 7.473 1.00 0.00 C ATOM 0 HA PRO A 38 -10.394 -2.349 8.664 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.989 -1.527 7.350 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.699 -1.835 9.051 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.061 0.661 8.204 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.870 0.327 9.445 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.424 0.796 6.481 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.523 1.444 7.837 1.00 0.00 H new ATOM 632 N GLU A 39 -11.121 -4.117 7.101 1.00 0.00 N ATOM 633 CA GLU A 39 -11.264 -5.206 6.154 1.00 0.00 C ATOM 634 C GLU A 39 -12.604 -5.097 5.436 1.00 0.00 C ATOM 635 O GLU A 39 -13.619 -5.632 5.884 1.00 0.00 O ATOM 636 CB GLU A 39 -11.135 -6.556 6.863 1.00 0.00 C ATOM 637 CG GLU A 39 -11.199 -7.749 5.922 1.00 0.00 C ATOM 638 CD GLU A 39 -10.906 -9.062 6.615 1.00 0.00 C ATOM 639 OE1 GLU A 39 -11.854 -9.831 6.877 1.00 0.00 O ATOM 640 OE2 GLU A 39 -9.722 -9.341 6.891 1.00 0.00 O ATOM 0 H GLU A 39 -11.158 -4.407 8.078 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.466 -5.138 5.415 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.190 -6.583 7.406 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.930 -6.645 7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.190 -7.796 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.485 -7.605 5.111 1.00 0.00 H new ATOM 647 N ASP A 40 -12.591 -4.378 4.329 1.00 0.00 N ATOM 648 CA ASP A 40 -13.793 -4.138 3.541 1.00 0.00 C ATOM 649 C ASP A 40 -13.413 -3.968 2.081 1.00 0.00 C ATOM 650 O ASP A 40 -12.382 -3.374 1.765 1.00 0.00 O ATOM 651 CB ASP A 40 -14.530 -2.886 4.035 1.00 0.00 C ATOM 652 CG ASP A 40 -15.831 -2.659 3.295 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.803 -2.089 2.189 1.00 0.00 O ATOM 654 OD2 ASP A 40 -16.891 -3.062 3.821 1.00 0.00 O ATOM 0 H ASP A 40 -11.750 -3.943 3.948 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.460 -4.993 3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.733 -2.983 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.887 -2.015 3.911 1.00 0.00 H new ATOM 659 N ASP A 41 -14.262 -4.491 1.202 1.00 0.00 N ATOM 660 CA ASP A 41 -13.981 -4.533 -0.235 1.00 0.00 C ATOM 661 C ASP A 41 -13.876 -3.131 -0.830 1.00 0.00 C ATOM 662 O ASP A 41 -13.197 -2.933 -1.840 1.00 0.00 O ATOM 663 CB ASP A 41 -15.055 -5.336 -0.987 1.00 0.00 C ATOM 664 CG ASP A 41 -16.408 -4.648 -1.011 1.00 0.00 C ATOM 665 OD1 ASP A 41 -16.696 -3.938 -1.998 1.00 0.00 O ATOM 666 OD2 ASP A 41 -17.191 -4.818 -0.051 1.00 0.00 O ATOM 0 H ASP A 41 -15.161 -4.897 1.461 1.00 0.00 H new ATOM 0 HA ASP A 41 -13.019 -5.031 -0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.722 -5.505 -2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.161 -6.315 -0.520 1.00 0.00 H new ATOM 671 N THR A 42 -14.540 -2.162 -0.208 1.00 0.00 N ATOM 672 CA THR A 42 -14.481 -0.784 -0.663 1.00 0.00 C ATOM 673 C THR A 42 -13.086 -0.222 -0.414 1.00 0.00 C ATOM 674 O THR A 42 -12.461 0.365 -1.300 1.00 0.00 O ATOM 675 CB THR A 42 -15.516 0.080 0.079 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.746 -0.643 0.221 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.768 1.383 -0.660 1.00 0.00 C ATOM 0 H THR A 42 -15.125 -2.310 0.614 1.00 0.00 H new ATOM 0 HA THR A 42 -14.706 -0.763 -1.729 1.00 0.00 H new ATOM 0 HB THR A 42 -15.117 0.316 1.066 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.722 -1.170 1.047 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.503 1.974 -0.114 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.836 1.944 -0.737 1.00 0.00 H new ATOM 0 HG23 THR A 42 -16.146 1.167 -1.660 1.00 0.00 H new ATOM 685 N THR A 43 -12.601 -0.446 0.801 1.00 0.00 N ATOM 686 CA THR A 43 -11.273 -0.021 1.207 1.00 0.00 C ATOM 687 C THR A 43 -10.200 -0.699 0.358 1.00 0.00 C ATOM 688 O THR A 43 -9.187 -0.092 0.009 1.00 0.00 O ATOM 689 CB THR A 43 -11.034 -0.369 2.689 1.00 0.00 C ATOM 690 OG1 THR A 43 -12.142 0.081 3.484 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.750 0.266 3.200 1.00 0.00 C ATOM 0 H THR A 43 -13.122 -0.929 1.533 1.00 0.00 H new ATOM 0 HA THR A 43 -11.209 1.058 1.066 1.00 0.00 H new ATOM 0 HB THR A 43 -10.941 -1.452 2.771 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.127 1.059 3.541 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.607 0.004 4.248 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.906 -0.100 2.616 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.816 1.350 3.103 1.00 0.00 H new ATOM 699 N MET A 44 -10.448 -1.954 0.008 1.00 0.00 N ATOM 700 CA MET A 44 -9.465 -2.759 -0.698 1.00 0.00 C ATOM 701 C MET A 44 -9.207 -2.231 -2.104 1.00 0.00 C ATOM 702 O MET A 44 -8.060 -2.026 -2.495 1.00 0.00 O ATOM 703 CB MET A 44 -9.913 -4.219 -0.757 1.00 0.00 C ATOM 704 CG MET A 44 -10.038 -4.865 0.611 1.00 0.00 C ATOM 705 SD MET A 44 -10.489 -6.605 0.527 1.00 0.00 S ATOM 706 CE MET A 44 -10.544 -6.995 2.273 1.00 0.00 C ATOM 0 H MET A 44 -11.325 -2.436 0.203 1.00 0.00 H new ATOM 0 HA MET A 44 -8.530 -2.695 -0.142 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.874 -4.276 -1.267 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.200 -4.787 -1.355 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.091 -4.766 1.142 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.787 -4.329 1.193 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.964 -7.992 2.410 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.535 -6.966 2.684 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.167 -6.265 2.789 1.00 0.00 H new ATOM 716 N CYS A 45 -10.272 -2.002 -2.863 1.00 0.00 N ATOM 717 CA CYS A 45 -10.128 -1.494 -4.222 1.00 0.00 C ATOM 718 C CYS A 45 -9.563 -0.079 -4.211 1.00 0.00 C ATOM 719 O CYS A 45 -8.852 0.316 -5.136 1.00 0.00 O ATOM 720 CB CYS A 45 -11.462 -1.533 -4.975 1.00 0.00 C ATOM 721 SG CYS A 45 -12.120 -3.219 -5.221 1.00 0.00 S ATOM 0 H CYS A 45 -11.235 -2.158 -2.565 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.427 -2.144 -4.746 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.196 -0.943 -4.426 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.334 -1.058 -5.947 1.00 0.00 H new ATOM 726 N TYR A 46 -9.867 0.675 -3.158 1.00 0.00 N ATOM 727 CA TYR A 46 -9.316 2.010 -2.992 1.00 0.00 C ATOM 728 C TYR A 46 -7.794 1.954 -2.924 1.00 0.00 C ATOM 729 O TYR A 46 -7.104 2.675 -3.645 1.00 0.00 O ATOM 730 CB TYR A 46 -9.897 2.660 -1.732 1.00 0.00 C ATOM 731 CG TYR A 46 -9.113 3.860 -1.239 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.431 3.815 -0.027 1.00 0.00 C ATOM 733 CD2 TYR A 46 -9.054 5.036 -1.981 1.00 0.00 C ATOM 734 CE1 TYR A 46 -7.717 4.905 0.431 1.00 0.00 C ATOM 735 CE2 TYR A 46 -8.338 6.128 -1.528 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.674 6.057 -0.323 1.00 0.00 C ATOM 737 OH TYR A 46 -6.973 7.149 0.130 1.00 0.00 O ATOM 0 H TYR A 46 -10.493 0.381 -2.408 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.591 2.618 -3.854 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.923 2.968 -1.935 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.939 1.915 -0.938 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.460 2.913 0.566 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.575 5.096 -2.925 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.195 4.854 1.375 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.299 7.033 -2.116 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.221 6.849 0.682 1.00 0.00 H new ATOM 747 N ILE A 47 -7.286 1.072 -2.072 1.00 0.00 N ATOM 748 CA ILE A 47 -5.851 0.887 -1.918 1.00 0.00 C ATOM 749 C ILE A 47 -5.219 0.432 -3.229 1.00 0.00 C ATOM 750 O ILE A 47 -4.117 0.853 -3.573 1.00 0.00 O ATOM 751 CB ILE A 47 -5.532 -0.128 -0.798 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.976 0.426 0.570 1.00 0.00 C ATOM 753 CG2 ILE A 47 -4.049 -0.484 -0.790 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.342 1.756 0.939 1.00 0.00 C ATOM 0 H ILE A 47 -7.852 0.470 -1.474 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.426 1.851 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.090 -1.043 -0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.060 0.541 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.734 -0.305 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.851 -1.200 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.775 -0.924 -1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.459 0.417 -0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.708 2.075 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.258 1.645 0.976 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.605 2.504 0.191 1.00 0.00 H new ATOM 766 N LYS A 48 -5.933 -0.408 -3.969 1.00 0.00 N ATOM 767 CA LYS A 48 -5.444 -0.909 -5.242 1.00 0.00 C ATOM 768 C LYS A 48 -5.203 0.251 -6.206 1.00 0.00 C ATOM 769 O LYS A 48 -4.105 0.403 -6.742 1.00 0.00 O ATOM 770 CB LYS A 48 -6.450 -1.910 -5.835 1.00 0.00 C ATOM 771 CG LYS A 48 -5.919 -2.719 -7.017 1.00 0.00 C ATOM 772 CD LYS A 48 -5.789 -1.882 -8.284 1.00 0.00 C ATOM 773 CE LYS A 48 -5.221 -2.691 -9.437 1.00 0.00 C ATOM 774 NZ LYS A 48 -6.213 -3.645 -9.996 1.00 0.00 N ATOM 0 H LYS A 48 -6.855 -0.756 -3.706 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.497 -1.425 -5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.762 -2.599 -5.051 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.339 -1.366 -6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.946 -3.137 -6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.586 -3.560 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.767 -1.489 -8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.145 -1.025 -8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.887 -2.014 -10.224 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.344 -3.240 -9.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.741 -4.544 -10.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.964 -3.814 -9.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.629 -3.246 -10.862 1.00 0.00 H new ATOM 788 N CYS A 49 -6.238 1.061 -6.422 1.00 0.00 N ATOM 789 CA CYS A 49 -6.157 2.203 -7.333 1.00 0.00 C ATOM 790 C CYS A 49 -4.996 3.128 -6.970 1.00 0.00 C ATOM 791 O CYS A 49 -4.213 3.521 -7.837 1.00 0.00 O ATOM 792 CB CYS A 49 -7.478 2.980 -7.330 1.00 0.00 C ATOM 793 SG CYS A 49 -7.422 4.569 -8.235 1.00 0.00 S ATOM 0 H CYS A 49 -7.148 0.947 -5.976 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.974 1.817 -8.336 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.255 2.353 -7.768 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.769 3.174 -6.298 1.00 0.00 H new ATOM 798 N VAL A 50 -4.879 3.450 -5.685 1.00 0.00 N ATOM 799 CA VAL A 50 -3.848 4.351 -5.206 1.00 0.00 C ATOM 800 C VAL A 50 -2.458 3.773 -5.450 1.00 0.00 C ATOM 801 O VAL A 50 -1.581 4.435 -6.006 1.00 0.00 O ATOM 802 CB VAL A 50 -4.036 4.642 -3.704 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.896 5.478 -3.160 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.359 5.340 -3.471 1.00 0.00 C ATOM 0 H VAL A 50 -5.495 3.094 -4.954 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.939 5.284 -5.763 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.037 3.691 -3.172 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.057 5.666 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.956 4.943 -3.295 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.853 6.427 -3.695 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.482 5.541 -2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.376 6.280 -4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.173 4.702 -3.816 1.00 0.00 H new ATOM 814 N PHE A 51 -2.286 2.517 -5.068 1.00 0.00 N ATOM 815 CA PHE A 51 -1.007 1.834 -5.190 1.00 0.00 C ATOM 816 C PHE A 51 -0.619 1.653 -6.653 1.00 0.00 C ATOM 817 O PHE A 51 0.556 1.536 -6.990 1.00 0.00 O ATOM 818 CB PHE A 51 -1.079 0.479 -4.485 1.00 0.00 C ATOM 819 CG PHE A 51 -0.702 0.531 -3.029 1.00 0.00 C ATOM 820 CD1 PHE A 51 -1.007 1.641 -2.255 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.052 -0.538 -2.435 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.668 1.682 -0.916 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.290 -0.500 -1.096 1.00 0.00 C ATOM 824 CZ PHE A 51 -0.019 0.611 -0.337 1.00 0.00 C ATOM 0 H PHE A 51 -3.027 1.943 -4.666 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.240 2.446 -4.716 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.092 0.087 -4.575 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.419 -0.222 -4.997 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.515 2.482 -2.704 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.190 -1.410 -3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.911 2.552 -0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.799 -1.339 -0.644 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.247 0.642 0.709 1.00 0.00 H new ATOM 834 N ASN A 52 -1.618 1.646 -7.518 1.00 0.00 N ATOM 835 CA ASN A 52 -1.393 1.465 -8.943 1.00 0.00 C ATOM 836 C ASN A 52 -0.925 2.771 -9.574 1.00 0.00 C ATOM 837 O ASN A 52 -0.014 2.785 -10.400 1.00 0.00 O ATOM 838 CB ASN A 52 -2.676 0.976 -9.621 1.00 0.00 C ATOM 839 CG ASN A 52 -2.485 0.667 -11.097 1.00 0.00 C ATOM 840 OD1 ASN A 52 -3.390 0.875 -11.905 1.00 0.00 O ATOM 841 ND2 ASN A 52 -1.324 0.139 -11.457 1.00 0.00 N ATOM 0 H ASN A 52 -2.597 1.764 -7.258 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.615 0.714 -9.083 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.032 0.081 -9.111 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.451 1.735 -9.511 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.157 -0.109 -12.432 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.597 -0.019 -10.759 1.00 0.00 H new ATOM 848 N LYS A 53 -1.535 3.874 -9.156 1.00 0.00 N ATOM 849 CA LYS A 53 -1.203 5.188 -9.697 1.00 0.00 C ATOM 850 C LYS A 53 0.116 5.700 -9.135 1.00 0.00 C ATOM 851 O LYS A 53 0.746 6.586 -9.712 1.00 0.00 O ATOM 852 CB LYS A 53 -2.324 6.183 -9.399 1.00 0.00 C ATOM 853 CG LYS A 53 -3.503 6.084 -10.352 1.00 0.00 C ATOM 854 CD LYS A 53 -4.520 7.180 -10.092 1.00 0.00 C ATOM 855 CE LYS A 53 -5.610 7.172 -11.149 1.00 0.00 C ATOM 856 NZ LYS A 53 -6.579 8.279 -10.956 1.00 0.00 N ATOM 0 H LYS A 53 -2.264 3.885 -8.443 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.094 5.088 -10.777 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.678 6.023 -8.381 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.920 7.194 -9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.148 6.152 -11.380 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.980 5.110 -10.243 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.964 7.043 -9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.022 8.149 -10.085 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.157 7.254 -12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.138 6.219 -11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.875 8.646 -11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.411 7.926 -10.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.131 9.041 -10.409 1.00 0.00 H new ATOM 870 N MET A 54 0.524 5.145 -8.006 1.00 0.00 N ATOM 871 CA MET A 54 1.794 5.507 -7.392 1.00 0.00 C ATOM 872 C MET A 54 2.933 4.648 -7.932 1.00 0.00 C ATOM 873 O MET A 54 4.067 4.739 -7.459 1.00 0.00 O ATOM 874 CB MET A 54 1.702 5.366 -5.876 1.00 0.00 C ATOM 875 CG MET A 54 0.863 6.446 -5.223 1.00 0.00 C ATOM 876 SD MET A 54 0.466 6.079 -3.504 1.00 0.00 S ATOM 877 CE MET A 54 2.029 6.397 -2.696 1.00 0.00 C ATOM 0 H MET A 54 -0.006 4.440 -7.494 1.00 0.00 H new ATOM 0 HA MET A 54 2.007 6.546 -7.643 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.279 4.391 -5.634 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.707 5.391 -5.454 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.397 7.395 -5.273 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.062 6.571 -5.786 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.984 6.044 -1.666 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.825 5.873 -3.225 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.231 7.468 -2.704 1.00 0.00 H new ATOM 887 N GLN A 55 2.612 3.820 -8.934 1.00 0.00 N ATOM 888 CA GLN A 55 3.576 2.902 -9.542 1.00 0.00 C ATOM 889 C GLN A 55 4.190 1.980 -8.497 1.00 0.00 C ATOM 890 O GLN A 55 5.391 1.715 -8.508 1.00 0.00 O ATOM 891 CB GLN A 55 4.670 3.672 -10.289 1.00 0.00 C ATOM 892 CG GLN A 55 4.324 4.006 -11.732 1.00 0.00 C ATOM 893 CD GLN A 55 3.100 4.894 -11.856 1.00 0.00 C ATOM 894 OE1 GLN A 55 1.975 4.407 -11.978 1.00 0.00 O ATOM 895 NE2 GLN A 55 3.305 6.201 -11.825 1.00 0.00 N ATOM 0 H GLN A 55 1.679 3.770 -9.343 1.00 0.00 H new ATOM 0 HA GLN A 55 3.038 2.286 -10.263 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.877 4.598 -9.753 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.587 3.084 -10.274 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.175 4.502 -12.199 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.153 3.081 -12.283 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.252 6.566 -11.723 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.516 6.843 -11.903 1.00 0.00 H new ATOM 904 N LEU A 56 3.355 1.482 -7.604 1.00 0.00 N ATOM 905 CA LEU A 56 3.828 0.701 -6.475 1.00 0.00 C ATOM 906 C LEU A 56 3.236 -0.706 -6.490 1.00 0.00 C ATOM 907 O LEU A 56 3.737 -1.612 -5.825 1.00 0.00 O ATOM 908 CB LEU A 56 3.487 1.438 -5.170 1.00 0.00 C ATOM 909 CG LEU A 56 4.609 2.321 -4.620 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.173 3.021 -3.342 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.862 1.507 -4.365 1.00 0.00 C ATOM 0 H LEU A 56 2.343 1.605 -7.638 1.00 0.00 H new ATOM 0 HA LEU A 56 4.910 0.590 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.606 2.057 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.219 0.701 -4.413 1.00 0.00 H new ATOM 0 HG LEU A 56 4.833 3.078 -5.371 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.988 3.642 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.305 3.647 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.913 2.276 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.645 2.157 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.645 0.723 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.198 1.054 -5.298 1.00 0.00 H new ATOM 923 N PHE A 57 2.174 -0.880 -7.266 1.00 0.00 N ATOM 924 CA PHE A 57 1.517 -2.171 -7.394 1.00 0.00 C ATOM 925 C PHE A 57 1.010 -2.357 -8.818 1.00 0.00 C ATOM 926 O PHE A 57 0.468 -1.428 -9.424 1.00 0.00 O ATOM 927 CB PHE A 57 0.357 -2.293 -6.389 1.00 0.00 C ATOM 928 CG PHE A 57 -0.455 -3.552 -6.537 1.00 0.00 C ATOM 929 CD1 PHE A 57 -0.033 -4.738 -5.957 1.00 0.00 C ATOM 930 CD2 PHE A 57 -1.646 -3.547 -7.251 1.00 0.00 C ATOM 931 CE1 PHE A 57 -0.780 -5.894 -6.088 1.00 0.00 C ATOM 932 CE2 PHE A 57 -2.394 -4.700 -7.385 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.961 -5.873 -6.803 1.00 0.00 C ATOM 0 H PHE A 57 1.748 -0.136 -7.819 1.00 0.00 H new ATOM 0 HA PHE A 57 2.241 -2.955 -7.172 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.761 -2.251 -5.377 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.302 -1.433 -6.505 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.890 -4.759 -5.396 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.991 -2.631 -7.707 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.440 -6.812 -5.632 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.317 -4.683 -7.945 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.546 -6.775 -6.907 1.00 0.00 H new ATOM 943 N ASP A 58 1.200 -3.556 -9.341 1.00 0.00 N ATOM 944 CA ASP A 58 0.790 -3.894 -10.698 1.00 0.00 C ATOM 945 C ASP A 58 -0.069 -5.155 -10.673 1.00 0.00 C ATOM 946 O ASP A 58 0.141 -6.039 -9.845 1.00 0.00 O ATOM 947 CB ASP A 58 2.034 -4.107 -11.569 1.00 0.00 C ATOM 948 CG ASP A 58 1.696 -4.529 -12.983 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.887 -5.715 -13.314 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.234 -3.678 -13.770 1.00 0.00 O ATOM 0 H ASP A 58 1.643 -4.325 -8.838 1.00 0.00 H new ATOM 0 HA ASP A 58 0.201 -3.079 -11.120 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.613 -3.184 -11.599 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.667 -4.866 -11.110 1.00 0.00 H new ATOM 955 N ASP A 59 -1.045 -5.225 -11.577 1.00 0.00 N ATOM 956 CA ASP A 59 -1.990 -6.349 -11.612 1.00 0.00 C ATOM 957 C ASP A 59 -1.309 -7.648 -11.995 1.00 0.00 C ATOM 958 O ASP A 59 -1.796 -8.732 -11.669 1.00 0.00 O ATOM 959 CB ASP A 59 -3.134 -6.090 -12.594 1.00 0.00 C ATOM 960 CG ASP A 59 -4.180 -5.149 -12.049 1.00 0.00 C ATOM 961 OD1 ASP A 59 -4.128 -3.942 -12.361 1.00 0.00 O ATOM 962 OD2 ASP A 59 -5.076 -5.617 -11.315 1.00 0.00 O ATOM 0 H ASP A 59 -1.205 -4.519 -12.296 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.390 -6.439 -10.602 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.726 -5.676 -13.516 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.606 -7.038 -12.851 1.00 0.00 H new ATOM 967 N THR A 60 -0.202 -7.544 -12.706 1.00 0.00 N ATOM 968 CA THR A 60 0.530 -8.713 -13.142 1.00 0.00 C ATOM 969 C THR A 60 1.650 -9.068 -12.164 1.00 0.00 C ATOM 970 O THR A 60 1.612 -10.116 -11.514 1.00 0.00 O ATOM 971 CB THR A 60 1.105 -8.488 -14.552 1.00 0.00 C ATOM 972 OG1 THR A 60 0.036 -8.408 -15.505 1.00 0.00 O ATOM 973 CG2 THR A 60 2.066 -9.595 -14.942 1.00 0.00 C ATOM 0 H THR A 60 0.210 -6.656 -12.994 1.00 0.00 H new ATOM 0 HA THR A 60 -0.166 -9.551 -13.171 1.00 0.00 H new ATOM 0 HB THR A 60 1.660 -7.550 -14.546 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.406 -8.263 -16.401 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.453 -9.405 -15.943 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.893 -9.625 -14.233 1.00 0.00 H new ATOM 0 HG23 THR A 60 1.543 -10.551 -14.931 1.00 0.00 H new ATOM 981 N GLU A 61 2.633 -8.185 -12.050 1.00 0.00 N ATOM 982 CA GLU A 61 3.816 -8.452 -11.246 1.00 0.00 C ATOM 983 C GLU A 61 3.523 -8.366 -9.749 1.00 0.00 C ATOM 984 O GLU A 61 4.308 -8.853 -8.935 1.00 0.00 O ATOM 985 CB GLU A 61 4.927 -7.476 -11.611 1.00 0.00 C ATOM 986 CG GLU A 61 5.048 -7.240 -13.102 1.00 0.00 C ATOM 987 CD GLU A 61 6.209 -6.340 -13.464 1.00 0.00 C ATOM 988 OE1 GLU A 61 5.968 -5.175 -13.851 1.00 0.00 O ATOM 989 OE2 GLU A 61 7.370 -6.793 -13.363 1.00 0.00 O ATOM 0 H GLU A 61 2.633 -7.273 -12.507 1.00 0.00 H new ATOM 0 HA GLU A 61 4.135 -9.471 -11.463 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.744 -6.524 -11.113 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.875 -7.857 -11.232 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.166 -8.198 -13.608 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.123 -6.797 -13.471 1.00 0.00 H new ATOM 996 N GLY A 62 2.390 -7.777 -9.389 1.00 0.00 N ATOM 997 CA GLY A 62 2.063 -7.606 -7.986 1.00 0.00 C ATOM 998 C GLY A 62 2.769 -6.412 -7.381 1.00 0.00 C ATOM 999 O GLY A 62 3.037 -5.433 -8.079 1.00 0.00 O ATOM 0 H GLY A 62 1.693 -7.416 -10.041 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.985 -7.483 -7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.338 -8.507 -7.437 1.00 0.00 H new ATOM 1003 N PRO A 63 3.070 -6.458 -6.076 1.00 0.00 N ATOM 1004 CA PRO A 63 3.825 -5.400 -5.402 1.00 0.00 C ATOM 1005 C PRO A 63 5.185 -5.188 -6.055 1.00 0.00 C ATOM 1006 O PRO A 63 6.004 -6.106 -6.113 1.00 0.00 O ATOM 1007 CB PRO A 63 3.998 -5.922 -3.971 1.00 0.00 C ATOM 1008 CG PRO A 63 2.942 -6.960 -3.796 1.00 0.00 C ATOM 1009 CD PRO A 63 2.693 -7.544 -5.162 1.00 0.00 C ATOM 0 HA PRO A 63 3.315 -4.438 -5.448 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.992 -6.345 -3.825 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.883 -5.119 -3.243 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.266 -7.731 -3.097 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.031 -6.523 -3.388 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.294 -8.437 -5.332 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.650 -7.832 -5.291 1.00 0.00 H new ATOM 1017 N LEU A 64 5.417 -3.983 -6.549 1.00 0.00 N ATOM 1018 CA LEU A 64 6.662 -3.667 -7.233 1.00 0.00 C ATOM 1019 C LEU A 64 7.755 -3.405 -6.217 1.00 0.00 C ATOM 1020 O LEU A 64 7.973 -2.270 -5.802 1.00 0.00 O ATOM 1021 CB LEU A 64 6.486 -2.455 -8.150 1.00 0.00 C ATOM 1022 CG LEU A 64 5.313 -2.567 -9.124 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.145 -1.288 -9.928 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.520 -3.752 -10.047 1.00 0.00 C ATOM 0 H LEU A 64 4.759 -3.206 -6.489 1.00 0.00 H new ATOM 0 HA LEU A 64 6.946 -4.520 -7.850 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.348 -1.566 -7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.404 -2.309 -8.720 1.00 0.00 H new ATOM 0 HG LEU A 64 4.400 -2.720 -8.548 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.304 -1.396 -10.612 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.957 -0.455 -9.251 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.054 -1.095 -10.498 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.680 -3.826 -10.738 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.443 -3.617 -10.610 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.585 -4.666 -9.457 1.00 0.00 H new ATOM 1036 N VAL A 65 8.429 -4.484 -5.832 1.00 0.00 N ATOM 1037 CA VAL A 65 9.440 -4.468 -4.779 1.00 0.00 C ATOM 1038 C VAL A 65 10.456 -3.345 -4.964 1.00 0.00 C ATOM 1039 O VAL A 65 10.786 -2.645 -4.014 1.00 0.00 O ATOM 1040 CB VAL A 65 10.181 -5.817 -4.711 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.331 -5.762 -3.716 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.213 -6.928 -4.345 1.00 0.00 C ATOM 0 H VAL A 65 8.287 -5.405 -6.247 1.00 0.00 H new ATOM 0 HA VAL A 65 8.908 -4.292 -3.844 1.00 0.00 H new ATOM 0 HB VAL A 65 10.601 -6.025 -5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.836 -6.728 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.039 -4.991 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.943 -5.528 -2.725 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.748 -7.877 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.767 -6.716 -3.373 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.428 -6.990 -5.099 1.00 0.00 H new ATOM 1052 N ASP A 66 10.933 -3.173 -6.187 1.00 0.00 N ATOM 1053 CA ASP A 66 11.950 -2.170 -6.484 1.00 0.00 C ATOM 1054 C ASP A 66 11.476 -0.769 -6.111 1.00 0.00 C ATOM 1055 O ASP A 66 12.140 -0.060 -5.352 1.00 0.00 O ATOM 1056 CB ASP A 66 12.321 -2.223 -7.961 1.00 0.00 C ATOM 1057 CG ASP A 66 13.393 -1.216 -8.331 1.00 0.00 C ATOM 1058 OD1 ASP A 66 14.592 -1.549 -8.227 1.00 0.00 O ATOM 1059 OD2 ASP A 66 13.045 -0.090 -8.742 1.00 0.00 O ATOM 0 H ASP A 66 10.632 -3.717 -6.995 1.00 0.00 H new ATOM 0 HA ASP A 66 12.831 -2.396 -5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.669 -3.226 -8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.431 -2.037 -8.562 1.00 0.00 H new ATOM 1064 N ASN A 67 10.316 -0.377 -6.629 1.00 0.00 N ATOM 1065 CA ASN A 67 9.753 0.934 -6.328 1.00 0.00 C ATOM 1066 C ASN A 67 9.380 1.025 -4.855 1.00 0.00 C ATOM 1067 O ASN A 67 9.462 2.089 -4.248 1.00 0.00 O ATOM 1068 CB ASN A 67 8.528 1.214 -7.196 1.00 0.00 C ATOM 1069 CG ASN A 67 8.874 1.364 -8.667 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.986 1.755 -9.022 1.00 0.00 O ATOM 1071 ND2 ASN A 67 7.918 1.078 -9.533 1.00 0.00 N ATOM 0 H ASN A 67 9.749 -0.947 -7.257 1.00 0.00 H new ATOM 0 HA ASN A 67 10.511 1.686 -6.549 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.810 0.402 -7.077 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.041 2.124 -6.847 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.089 1.179 -10.533 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.009 0.756 -9.201 1.00 0.00 H new ATOM 1078 N LEU A 68 8.992 -0.111 -4.289 1.00 0.00 N ATOM 1079 CA LEU A 68 8.611 -0.196 -2.885 1.00 0.00 C ATOM 1080 C LEU A 68 9.784 0.136 -1.975 1.00 0.00 C ATOM 1081 O LEU A 68 9.624 0.814 -0.969 1.00 0.00 O ATOM 1082 CB LEU A 68 8.066 -1.590 -2.569 1.00 0.00 C ATOM 1083 CG LEU A 68 6.595 -1.793 -2.923 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.249 -3.270 -2.958 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.714 -1.071 -1.921 1.00 0.00 C ATOM 0 H LEU A 68 8.933 -0.998 -4.789 1.00 0.00 H new ATOM 0 HA LEU A 68 7.828 0.539 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.661 -2.329 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.200 -1.786 -1.505 1.00 0.00 H new ATOM 0 HG LEU A 68 6.418 -1.377 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.196 -3.391 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.863 -3.770 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.439 -3.712 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.667 -1.222 -2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.899 -1.466 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.942 -0.005 -1.938 1.00 0.00 H new ATOM 1097 N VAL A 69 10.962 -0.339 -2.340 1.00 0.00 N ATOM 1098 CA VAL A 69 12.169 -0.044 -1.590 1.00 0.00 C ATOM 1099 C VAL A 69 12.586 1.406 -1.796 1.00 0.00 C ATOM 1100 O VAL A 69 12.926 2.101 -0.849 1.00 0.00 O ATOM 1101 CB VAL A 69 13.314 -0.977 -2.003 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.573 -0.641 -1.235 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.926 -2.424 -1.778 1.00 0.00 C ATOM 0 H VAL A 69 11.108 -0.934 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 69 11.953 -0.205 -0.534 1.00 0.00 H new ATOM 0 HB VAL A 69 13.510 -0.834 -3.066 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.376 -1.313 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.863 0.389 -1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.389 -0.757 -0.167 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.750 -3.072 -2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.704 -2.581 -0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.044 -2.661 -2.373 1.00 0.00 H new ATOM 1113 N HIS A 70 12.524 1.870 -3.035 1.00 0.00 N ATOM 1114 CA HIS A 70 12.898 3.251 -3.351 1.00 0.00 C ATOM 1115 C HIS A 70 11.955 4.244 -2.673 1.00 0.00 C ATOM 1116 O HIS A 70 12.299 5.407 -2.459 1.00 0.00 O ATOM 1117 CB HIS A 70 12.902 3.479 -4.863 1.00 0.00 C ATOM 1118 CG HIS A 70 14.137 2.976 -5.553 1.00 0.00 C ATOM 1119 ND1 HIS A 70 15.108 3.814 -6.056 1.00 0.00 N ATOM 1120 CD2 HIS A 70 14.555 1.717 -5.833 1.00 0.00 C ATOM 1121 CE1 HIS A 70 16.064 3.096 -6.613 1.00 0.00 C ATOM 1122 NE2 HIS A 70 15.754 1.822 -6.491 1.00 0.00 N ATOM 0 H HIS A 70 12.221 1.319 -3.838 1.00 0.00 H new ATOM 0 HA HIS A 70 13.905 3.417 -2.969 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.031 2.988 -5.296 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.797 4.546 -5.060 1.00 0.00 H new ATOM 0 HD2 HIS A 70 14.039 0.801 -5.584 1.00 0.00 H new ATOM 0 HE1 HIS A 70 16.951 3.487 -7.089 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.314 1.040 -6.831 1.00 0.00 H new ATOM 1131 N GLN A 71 10.766 3.771 -2.342 1.00 0.00 N ATOM 1132 CA GLN A 71 9.763 4.591 -1.681 1.00 0.00 C ATOM 1133 C GLN A 71 9.892 4.500 -0.159 1.00 0.00 C ATOM 1134 O GLN A 71 10.123 5.503 0.519 1.00 0.00 O ATOM 1135 CB GLN A 71 8.368 4.124 -2.098 1.00 0.00 C ATOM 1136 CG GLN A 71 7.250 5.041 -1.634 1.00 0.00 C ATOM 1137 CD GLN A 71 7.228 6.367 -2.364 1.00 0.00 C ATOM 1138 OE1 GLN A 71 7.616 6.457 -3.526 1.00 0.00 O ATOM 1139 NE2 GLN A 71 6.777 7.408 -1.686 1.00 0.00 N ATOM 0 H GLN A 71 10.469 2.812 -2.522 1.00 0.00 H new ATOM 0 HA GLN A 71 9.918 5.628 -1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.332 4.043 -3.184 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.195 3.125 -1.698 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.293 4.539 -1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.358 5.223 -0.565 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.464 7.292 -0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.742 8.327 -2.126 1.00 0.00 H new ATOM 1148 N LEU A 72 9.731 3.291 0.364 1.00 0.00 N ATOM 1149 CA LEU A 72 9.701 3.059 1.807 1.00 0.00 C ATOM 1150 C LEU A 72 11.045 3.328 2.471 1.00 0.00 C ATOM 1151 O LEU A 72 11.097 3.925 3.544 1.00 0.00 O ATOM 1152 CB LEU A 72 9.253 1.629 2.112 1.00 0.00 C ATOM 1153 CG LEU A 72 7.791 1.327 1.784 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.495 -0.150 1.990 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.860 2.173 2.640 1.00 0.00 C ATOM 0 H LEU A 72 9.618 2.445 -0.195 1.00 0.00 H new ATOM 0 HA LEU A 72 8.982 3.766 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.885 0.939 1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.421 1.429 3.170 1.00 0.00 H new ATOM 0 HG LEU A 72 7.619 1.577 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.450 -0.348 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.135 -0.744 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.688 -0.418 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.825 1.941 2.390 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.036 1.955 3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.051 3.229 2.451 1.00 0.00 H new ATOM 1167 N ALA A 73 12.128 2.896 1.832 1.00 0.00 N ATOM 1168 CA ALA A 73 13.478 3.092 2.357 1.00 0.00 C ATOM 1169 C ALA A 73 13.925 4.551 2.263 1.00 0.00 C ATOM 1170 O ALA A 73 15.089 4.835 1.978 1.00 0.00 O ATOM 1171 CB ALA A 73 14.458 2.184 1.639 1.00 0.00 C ATOM 0 H ALA A 73 12.097 2.402 0.940 1.00 0.00 H new ATOM 0 HA ALA A 73 13.460 2.830 3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.460 2.340 2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.166 1.144 1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.454 2.414 0.574 1.00 0.00 H new ATOM 1177 N HIS A 74 12.981 5.462 2.465 1.00 0.00 N ATOM 1178 CA HIS A 74 13.228 6.898 2.411 1.00 0.00 C ATOM 1179 C HIS A 74 14.193 7.316 3.521 1.00 0.00 C ATOM 1180 O HIS A 74 13.772 7.768 4.588 1.00 0.00 O ATOM 1181 CB HIS A 74 11.899 7.644 2.568 1.00 0.00 C ATOM 1182 CG HIS A 74 11.907 9.048 2.050 1.00 0.00 C ATOM 1183 ND1 HIS A 74 10.877 9.572 1.304 1.00 0.00 N ATOM 1184 CD2 HIS A 74 12.815 10.043 2.180 1.00 0.00 C ATOM 1185 CE1 HIS A 74 11.152 10.820 0.992 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.323 11.134 1.511 1.00 0.00 N ATOM 0 H HIS A 74 12.012 5.222 2.673 1.00 0.00 H new ATOM 0 HA HIS A 74 13.678 7.147 1.450 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.120 7.084 2.050 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.630 7.662 3.624 1.00 0.00 H new ATOM 0 HD1 HIS A 74 10.031 9.070 1.034 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.753 9.988 2.712 1.00 0.00 H new ATOM 0 HE1 HIS A 74 10.524 11.477 0.409 1.00 0.00 H new ATOM 1195 N GLY A 75 15.481 7.150 3.267 1.00 0.00 N ATOM 1196 CA GLY A 75 16.485 7.501 4.248 1.00 0.00 C ATOM 1197 C GLY A 75 16.774 6.361 5.205 1.00 0.00 C ATOM 1198 O GLY A 75 17.022 6.589 6.390 1.00 0.00 O ATOM 0 H GLY A 75 15.851 6.776 2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.405 7.787 3.738 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.150 8.371 4.813 1.00 0.00 H new ATOM 1202 N ARG A 76 16.738 5.132 4.695 1.00 0.00 N ATOM 1203 CA ARG A 76 16.986 3.948 5.515 1.00 0.00 C ATOM 1204 C ARG A 76 17.629 2.840 4.688 1.00 0.00 C ATOM 1205 O ARG A 76 17.708 2.944 3.462 1.00 0.00 O ATOM 1206 CB ARG A 76 15.682 3.447 6.148 1.00 0.00 C ATOM 1207 CG ARG A 76 15.370 4.083 7.491 1.00 0.00 C ATOM 1208 CD ARG A 76 14.279 3.329 8.224 1.00 0.00 C ATOM 1209 NE ARG A 76 13.800 4.057 9.398 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.902 3.579 10.259 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.419 2.350 10.108 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.494 4.327 11.278 1.00 0.00 N ATOM 0 H ARG A 76 16.539 4.930 3.715 1.00 0.00 H new ATOM 0 HA ARG A 76 17.676 4.228 6.311 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.857 3.644 5.463 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.742 2.366 6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.272 4.105 8.102 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.061 5.118 7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.445 3.148 7.545 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.657 2.354 8.532 1.00 0.00 H new ATOM 0 HE ARG A 76 14.177 4.989 9.569 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.736 1.769 9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.732 1.987 10.769 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.868 5.268 11.402 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.807 3.961 11.937 1.00 0.00 H new ATOM 1226 N ASP A 77 18.096 1.793 5.371 1.00 0.00 N ATOM 1227 CA ASP A 77 18.719 0.640 4.722 1.00 0.00 C ATOM 1228 C ASP A 77 17.756 -0.034 3.758 1.00 0.00 C ATOM 1229 O ASP A 77 16.865 -0.782 4.166 1.00 0.00 O ATOM 1230 CB ASP A 77 19.192 -0.380 5.761 1.00 0.00 C ATOM 1231 CG ASP A 77 20.241 0.175 6.699 1.00 0.00 C ATOM 1232 OD1 ASP A 77 21.390 0.381 6.259 1.00 0.00 O ATOM 1233 OD2 ASP A 77 19.919 0.411 7.883 1.00 0.00 O ATOM 0 H ASP A 77 18.053 1.721 6.388 1.00 0.00 H new ATOM 0 HA ASP A 77 19.579 1.008 4.162 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.336 -0.721 6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.596 -1.252 5.248 1.00 0.00 H new ATOM 1238 N ALA A 78 17.962 0.231 2.479 1.00 0.00 N ATOM 1239 CA ALA A 78 17.122 -0.304 1.420 1.00 0.00 C ATOM 1240 C ALA A 78 17.106 -1.828 1.429 1.00 0.00 C ATOM 1241 O ALA A 78 16.068 -2.449 1.206 1.00 0.00 O ATOM 1242 CB ALA A 78 17.618 0.208 0.084 1.00 0.00 C ATOM 0 H ALA A 78 18.720 0.826 2.144 1.00 0.00 H new ATOM 0 HA ALA A 78 16.099 0.032 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.991 -0.190 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.572 1.297 0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.648 -0.113 -0.069 1.00 0.00 H new ATOM 1248 N GLU A 79 18.260 -2.418 1.706 1.00 0.00 N ATOM 1249 CA GLU A 79 18.400 -3.872 1.732 1.00 0.00 C ATOM 1250 C GLU A 79 17.487 -4.500 2.780 1.00 0.00 C ATOM 1251 O GLU A 79 16.875 -5.543 2.544 1.00 0.00 O ATOM 1252 CB GLU A 79 19.850 -4.255 2.003 1.00 0.00 C ATOM 1253 CG GLU A 79 20.775 -3.943 0.841 1.00 0.00 C ATOM 1254 CD GLU A 79 22.218 -4.292 1.133 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.542 -5.492 1.201 1.00 0.00 O ATOM 1256 OE2 GLU A 79 23.040 -3.364 1.281 1.00 0.00 O ATOM 0 H GLU A 79 19.119 -1.911 1.917 1.00 0.00 H new ATOM 0 HA GLU A 79 18.104 -4.255 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.199 -3.727 2.890 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.903 -5.321 2.226 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.444 -4.493 -0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.704 -2.882 0.600 1.00 0.00 H new ATOM 1263 N GLU A 80 17.390 -3.855 3.933 1.00 0.00 N ATOM 1264 CA GLU A 80 16.532 -4.332 5.003 1.00 0.00 C ATOM 1265 C GLU A 80 15.066 -4.132 4.622 1.00 0.00 C ATOM 1266 O GLU A 80 14.230 -5.016 4.811 1.00 0.00 O ATOM 1267 CB GLU A 80 16.853 -3.580 6.293 1.00 0.00 C ATOM 1268 CG GLU A 80 16.089 -4.087 7.503 1.00 0.00 C ATOM 1269 CD GLU A 80 16.501 -5.488 7.902 1.00 0.00 C ATOM 1270 OE1 GLU A 80 15.911 -6.460 7.388 1.00 0.00 O ATOM 1271 OE2 GLU A 80 17.415 -5.621 8.741 1.00 0.00 O ATOM 0 H GLU A 80 17.897 -2.997 4.150 1.00 0.00 H new ATOM 0 HA GLU A 80 16.709 -5.396 5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.922 -3.657 6.491 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.631 -2.522 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 80 16.253 -3.411 8.342 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.021 -4.073 7.286 1.00 0.00 H new ATOM 1278 N VAL A 81 14.775 -2.960 4.067 1.00 0.00 N ATOM 1279 CA VAL A 81 13.431 -2.616 3.617 1.00 0.00 C ATOM 1280 C VAL A 81 12.911 -3.621 2.591 1.00 0.00 C ATOM 1281 O VAL A 81 11.777 -4.085 2.691 1.00 0.00 O ATOM 1282 CB VAL A 81 13.414 -1.198 3.025 1.00 0.00 C ATOM 1283 CG1 VAL A 81 12.062 -0.857 2.422 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.784 -0.197 4.098 1.00 0.00 C ATOM 0 H VAL A 81 15.464 -2.223 3.917 1.00 0.00 H new ATOM 0 HA VAL A 81 12.771 -2.650 4.484 1.00 0.00 H new ATOM 0 HB VAL A 81 14.147 -1.155 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.090 0.153 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.830 -1.564 1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.294 -0.915 3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.772 0.808 3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.065 -0.257 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.782 -0.420 4.475 1.00 0.00 H new ATOM 1294 N ARG A 82 13.753 -3.953 1.615 1.00 0.00 N ATOM 1295 CA ARG A 82 13.418 -4.943 0.598 1.00 0.00 C ATOM 1296 C ARG A 82 12.967 -6.252 1.233 1.00 0.00 C ATOM 1297 O ARG A 82 11.993 -6.861 0.797 1.00 0.00 O ATOM 1298 CB ARG A 82 14.630 -5.202 -0.289 1.00 0.00 C ATOM 1299 CG ARG A 82 14.307 -6.060 -1.494 1.00 0.00 C ATOM 1300 CD ARG A 82 15.568 -6.490 -2.214 1.00 0.00 C ATOM 1301 NE ARG A 82 15.278 -7.314 -3.387 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.160 -8.133 -3.957 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.401 -8.215 -3.490 1.00 0.00 N ATOM 1304 NH2 ARG A 82 15.803 -8.864 -5.002 1.00 0.00 N ATOM 0 H ARG A 82 14.682 -3.545 1.508 1.00 0.00 H new ATOM 0 HA ARG A 82 12.597 -4.548 -0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.037 -4.249 -0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.407 -5.689 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.748 -6.940 -1.177 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.666 -5.504 -2.178 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.128 -5.607 -2.521 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.204 -7.048 -1.528 1.00 0.00 H new ATOM 0 HE ARG A 82 14.344 -7.258 -3.793 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.683 -7.649 -2.690 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.071 -8.844 -3.931 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.854 -8.799 -5.369 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.477 -9.492 -5.440 1.00 0.00 H new ATOM 1318 N THR A 83 13.676 -6.662 2.274 1.00 0.00 N ATOM 1319 CA THR A 83 13.403 -7.918 2.954 1.00 0.00 C ATOM 1320 C THR A 83 12.014 -7.917 3.599 1.00 0.00 C ATOM 1321 O THR A 83 11.200 -8.808 3.344 1.00 0.00 O ATOM 1322 CB THR A 83 14.489 -8.189 4.014 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.692 -8.620 3.364 1.00 0.00 O ATOM 1324 CG2 THR A 83 14.051 -9.228 5.033 1.00 0.00 C ATOM 0 H THR A 83 14.454 -6.135 2.670 1.00 0.00 H new ATOM 0 HA THR A 83 13.420 -8.716 2.211 1.00 0.00 H new ATOM 0 HB THR A 83 14.666 -7.259 4.555 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.384 -8.791 4.037 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.849 -9.385 5.759 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.156 -8.878 5.548 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.833 -10.167 4.524 1.00 0.00 H new ATOM 1332 N GLU A 84 11.749 -6.912 4.429 1.00 0.00 N ATOM 1333 CA GLU A 84 10.463 -6.800 5.107 1.00 0.00 C ATOM 1334 C GLU A 84 9.304 -6.699 4.113 1.00 0.00 C ATOM 1335 O GLU A 84 8.228 -7.246 4.355 1.00 0.00 O ATOM 1336 CB GLU A 84 10.462 -5.605 6.061 1.00 0.00 C ATOM 1337 CG GLU A 84 11.553 -5.685 7.112 1.00 0.00 C ATOM 1338 CD GLU A 84 11.303 -4.769 8.290 1.00 0.00 C ATOM 1339 OE1 GLU A 84 10.439 -5.100 9.128 1.00 0.00 O ATOM 1340 OE2 GLU A 84 11.978 -3.724 8.399 1.00 0.00 O ATOM 0 H GLU A 84 12.408 -6.164 4.648 1.00 0.00 H new ATOM 0 HA GLU A 84 10.317 -7.711 5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.586 -4.688 5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.493 -5.543 6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.634 -6.712 7.468 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.509 -5.430 6.656 1.00 0.00 H new ATOM 1347 N VAL A 85 9.525 -6.005 2.998 1.00 0.00 N ATOM 1348 CA VAL A 85 8.534 -5.932 1.930 1.00 0.00 C ATOM 1349 C VAL A 85 8.227 -7.320 1.369 1.00 0.00 C ATOM 1350 O VAL A 85 7.066 -7.711 1.262 1.00 0.00 O ATOM 1351 CB VAL A 85 9.015 -5.019 0.784 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.172 -5.228 -0.465 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.970 -3.564 1.216 1.00 0.00 C ATOM 0 H VAL A 85 10.383 -5.485 2.812 1.00 0.00 H new ATOM 0 HA VAL A 85 7.627 -5.512 2.364 1.00 0.00 H new ATOM 0 HB VAL A 85 10.046 -5.282 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.530 -4.573 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.250 -6.266 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.130 -4.994 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.312 -2.931 0.397 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.947 -3.294 1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.618 -3.421 2.081 1.00 0.00 H new ATOM 1363 N LEU A 86 9.279 -8.059 1.024 1.00 0.00 N ATOM 1364 CA LEU A 86 9.146 -9.388 0.435 1.00 0.00 C ATOM 1365 C LEU A 86 8.351 -10.326 1.335 1.00 0.00 C ATOM 1366 O LEU A 86 7.644 -11.209 0.852 1.00 0.00 O ATOM 1367 CB LEU A 86 10.525 -9.986 0.161 1.00 0.00 C ATOM 1368 CG LEU A 86 11.300 -9.326 -0.971 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.754 -9.762 -0.933 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.677 -9.677 -2.309 1.00 0.00 C ATOM 0 H LEU A 86 10.245 -7.754 1.145 1.00 0.00 H new ATOM 0 HA LEU A 86 8.603 -9.277 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.119 -9.923 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.406 -11.045 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 86 11.257 -8.244 -0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.299 -9.284 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.196 -9.471 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.812 -10.845 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.241 -9.199 -3.110 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.697 -10.758 -2.447 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.645 -9.327 -2.333 1.00 0.00 H new ATOM 1382 N LYS A 87 8.456 -10.114 2.641 1.00 0.00 N ATOM 1383 CA LYS A 87 7.755 -10.945 3.616 1.00 0.00 C ATOM 1384 C LYS A 87 6.260 -10.643 3.608 1.00 0.00 C ATOM 1385 O LYS A 87 5.452 -11.390 4.164 1.00 0.00 O ATOM 1386 CB LYS A 87 8.331 -10.724 5.015 1.00 0.00 C ATOM 1387 CG LYS A 87 9.758 -11.220 5.161 1.00 0.00 C ATOM 1388 CD LYS A 87 10.303 -10.967 6.553 1.00 0.00 C ATOM 1389 CE LYS A 87 11.723 -11.485 6.697 1.00 0.00 C ATOM 1390 NZ LYS A 87 11.809 -12.951 6.463 1.00 0.00 N ATOM 0 H LYS A 87 9.022 -9.371 3.052 1.00 0.00 H new ATOM 0 HA LYS A 87 7.896 -11.990 3.339 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.297 -9.660 5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.700 -11.232 5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.796 -12.288 4.945 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.392 -10.723 4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.281 -9.898 6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.662 -11.451 7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.371 -10.967 5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.093 -11.255 7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.729 -13.303 6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.046 -13.431 6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.713 -13.146 5.446 1.00 0.00 H new ATOM 1404 N CYS A 88 5.907 -9.543 2.970 1.00 0.00 N ATOM 1405 CA CYS A 88 4.519 -9.140 2.835 1.00 0.00 C ATOM 1406 C CYS A 88 4.046 -9.348 1.403 1.00 0.00 C ATOM 1407 O CYS A 88 2.877 -9.131 1.080 1.00 0.00 O ATOM 1408 CB CYS A 88 4.352 -7.686 3.261 1.00 0.00 C ATOM 1409 SG CYS A 88 4.256 -7.463 5.068 1.00 0.00 S ATOM 0 H CYS A 88 6.572 -8.905 2.532 1.00 0.00 H new ATOM 0 HA CYS A 88 3.904 -9.760 3.487 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.189 -7.104 2.875 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.447 -7.284 2.805 1.00 0.00 H new ATOM 1414 N VAL A 89 4.970 -9.760 0.542 1.00 0.00 N ATOM 1415 CA VAL A 89 4.642 -10.110 -0.824 1.00 0.00 C ATOM 1416 C VAL A 89 4.154 -11.550 -0.883 1.00 0.00 C ATOM 1417 O VAL A 89 4.916 -12.491 -0.653 1.00 0.00 O ATOM 1418 CB VAL A 89 5.853 -9.937 -1.759 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.501 -10.373 -3.168 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.337 -8.496 -1.757 1.00 0.00 C ATOM 0 H VAL A 89 5.958 -9.858 0.774 1.00 0.00 H new ATOM 0 HA VAL A 89 3.855 -9.436 -1.162 1.00 0.00 H new ATOM 0 HB VAL A 89 6.660 -10.569 -1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.368 -10.244 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.206 -11.422 -3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.676 -9.766 -3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.193 -8.399 -2.425 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.534 -7.842 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.631 -8.212 -0.746 1.00 0.00 H new ATOM 1430 N ASP A 90 2.877 -11.708 -1.177 1.00 0.00 N ATOM 1431 CA ASP A 90 2.260 -13.025 -1.231 1.00 0.00 C ATOM 1432 C ASP A 90 1.604 -13.261 -2.581 1.00 0.00 C ATOM 1433 O ASP A 90 1.547 -12.364 -3.423 1.00 0.00 O ATOM 1434 CB ASP A 90 1.221 -13.187 -0.119 1.00 0.00 C ATOM 1435 CG ASP A 90 1.840 -13.498 1.229 1.00 0.00 C ATOM 1436 OD1 ASP A 90 2.087 -14.691 1.514 1.00 0.00 O ATOM 1437 OD2 ASP A 90 2.059 -12.563 2.018 1.00 0.00 O ATOM 0 H ASP A 90 2.242 -10.937 -1.384 1.00 0.00 H new ATOM 0 HA ASP A 90 3.048 -13.764 -1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.635 -12.271 -0.041 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.530 -13.986 -0.388 1.00 0.00 H new ATOM 1442 N LYS A 91 1.098 -14.471 -2.765 1.00 0.00 N ATOM 1443 CA LYS A 91 0.470 -14.871 -4.019 1.00 0.00 C ATOM 1444 C LYS A 91 -0.996 -14.456 -4.036 1.00 0.00 C ATOM 1445 O LYS A 91 -1.633 -14.340 -2.987 1.00 0.00 O ATOM 1446 CB LYS A 91 0.572 -16.386 -4.208 1.00 0.00 C ATOM 1447 CG LYS A 91 1.949 -16.953 -3.910 1.00 0.00 C ATOM 1448 CD LYS A 91 3.015 -16.402 -4.847 1.00 0.00 C ATOM 1449 CE LYS A 91 2.802 -16.868 -6.281 1.00 0.00 C ATOM 1450 NZ LYS A 91 3.862 -16.361 -7.192 1.00 0.00 N ATOM 0 H LYS A 91 1.110 -15.202 -2.054 1.00 0.00 H new ATOM 0 HA LYS A 91 0.993 -14.372 -4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.158 -16.873 -3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.303 -16.633 -5.235 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.219 -16.722 -2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.919 -18.039 -3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.001 -15.313 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.000 -16.719 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.789 -17.958 -6.310 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.828 -16.528 -6.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.681 -16.700 -8.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.858 -15.321 -7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.789 -16.707 -6.872 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.520 -14.245 -5.236 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.911 -13.836 -5.422 1.00 0.00 C ATOM 1466 C ASN A 92 -3.845 -15.032 -5.255 1.00 0.00 C ATOM 1467 O ASN A 92 -4.456 -15.505 -6.214 1.00 0.00 O ATOM 1468 CB ASN A 92 -3.088 -13.213 -6.811 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.474 -12.632 -7.050 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.196 -12.288 -6.113 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.840 -12.502 -8.320 1.00 0.00 N ATOM 0 H ASN A 92 -0.998 -14.351 -6.106 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.165 -13.094 -4.665 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.346 -12.425 -6.943 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.886 -13.971 -7.568 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.751 -12.104 -8.550 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.211 -12.800 -9.065 1.00 0.00 H new ATOM 1478 N THR A 93 -3.951 -15.520 -4.025 1.00 0.00 N ATOM 1479 CA THR A 93 -4.797 -16.667 -3.724 1.00 0.00 C ATOM 1480 C THR A 93 -6.261 -16.258 -3.621 1.00 0.00 C ATOM 1481 O THR A 93 -7.159 -17.092 -3.735 1.00 0.00 O ATOM 1482 CB THR A 93 -4.366 -17.355 -2.415 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.431 -16.430 -1.322 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.955 -17.894 -2.531 1.00 0.00 C ATOM 0 H THR A 93 -3.459 -15.137 -3.217 1.00 0.00 H new ATOM 0 HA THR A 93 -4.681 -17.372 -4.547 1.00 0.00 H new ATOM 0 HB THR A 93 -5.049 -18.184 -2.230 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.156 -16.880 -0.496 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.671 -18.376 -1.595 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.909 -18.621 -3.342 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.268 -17.074 -2.740 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.497 -14.967 -3.412 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.859 -14.449 -3.326 1.00 0.00 C ATOM 1494 C ASP A 94 -8.462 -14.320 -4.711 1.00 0.00 C ATOM 1495 O ASP A 94 -9.679 -14.242 -4.870 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.893 -13.085 -2.633 1.00 0.00 C ATOM 1497 CG ASP A 94 -7.441 -13.152 -1.193 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -6.349 -12.641 -0.889 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -8.175 -13.724 -0.361 1.00 0.00 O ATOM 0 H ASP A 94 -5.768 -14.263 -3.299 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.442 -15.155 -2.735 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.255 -12.389 -3.178 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.907 -12.687 -2.673 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.577 -14.293 -5.706 1.00 0.00 N ATOM 1505 CA ASN A 95 -7.956 -14.183 -7.109 1.00 0.00 C ATOM 1506 C ASN A 95 -8.665 -12.853 -7.373 1.00 0.00 C ATOM 1507 O ASN A 95 -9.448 -12.716 -8.313 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.830 -15.370 -7.517 1.00 0.00 C ATOM 1509 CG ASN A 95 -8.963 -15.520 -9.018 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -8.077 -15.126 -9.778 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -10.062 -16.108 -9.452 1.00 0.00 N ATOM 0 H ASN A 95 -6.569 -14.347 -5.557 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.053 -14.204 -7.719 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -8.407 -16.285 -7.102 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.822 -15.251 -7.080 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -10.203 -16.251 -10.452 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.771 -16.419 -8.787 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.364 -11.871 -6.532 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.970 -10.552 -6.626 1.00 0.00 C ATOM 1520 C ASN A 96 -7.924 -9.480 -6.347 1.00 0.00 C ATOM 1521 O ASN A 96 -7.296 -9.472 -5.286 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.141 -10.440 -5.643 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.648 -9.018 -5.490 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.203 -8.277 -4.612 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.581 -8.628 -6.338 1.00 0.00 N ATOM 0 H ASN A 96 -7.695 -11.968 -5.768 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.355 -10.404 -7.635 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.957 -11.077 -5.984 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.829 -10.816 -4.669 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.960 -7.683 -6.280 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.923 -9.272 -7.051 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.746 -8.580 -7.309 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.672 -7.591 -7.267 1.00 0.00 C ATOM 1534 C ALA A 97 -6.825 -6.608 -6.110 1.00 0.00 C ATOM 1535 O ALA A 97 -5.828 -6.156 -5.548 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.595 -6.842 -8.588 1.00 0.00 C ATOM 0 H ALA A 97 -8.339 -8.515 -8.137 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.742 -8.135 -7.102 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.791 -6.108 -8.544 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.398 -7.547 -9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.541 -6.333 -8.773 1.00 0.00 H new ATOM 1542 N CYS A 98 -8.062 -6.270 -5.758 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.301 -5.359 -4.642 1.00 0.00 C ATOM 1544 C CYS A 98 -7.778 -5.961 -3.340 1.00 0.00 C ATOM 1545 O CYS A 98 -7.155 -5.270 -2.532 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.792 -5.028 -4.496 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.548 -4.268 -5.970 1.00 0.00 S ATOM 0 H CYS A 98 -8.905 -6.608 -6.222 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.764 -4.434 -4.854 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.333 -5.944 -4.258 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.920 -4.353 -3.649 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.000 -7.257 -3.154 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.596 -7.930 -1.925 1.00 0.00 C ATOM 1554 C HIS A 99 -6.094 -8.204 -1.945 1.00 0.00 C ATOM 1555 O HIS A 99 -5.447 -8.236 -0.901 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.378 -9.241 -1.760 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.392 -9.795 -0.362 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -9.557 -10.107 0.305 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -7.384 -10.125 0.483 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -9.266 -10.601 1.493 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -7.955 -10.625 1.627 1.00 0.00 N ATOM 0 H HIS A 99 -8.457 -7.862 -3.837 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.820 -7.282 -1.077 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.407 -9.077 -2.081 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.951 -9.989 -2.428 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.327 -10.015 0.291 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -9.982 -10.930 2.232 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.448 -10.960 2.446 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.548 -8.387 -3.140 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.124 -8.682 -3.300 1.00 0.00 C ATOM 1572 C TRP A 100 -3.278 -7.486 -2.862 1.00 0.00 C ATOM 1573 O TRP A 100 -2.365 -7.621 -2.044 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.820 -9.053 -4.761 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.435 -9.596 -4.982 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.514 -9.926 -4.028 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.827 -9.895 -6.246 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.368 -10.395 -4.620 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.536 -10.391 -5.981 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.248 -9.791 -7.577 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.336 -10.781 -6.996 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.382 -10.179 -8.582 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.104 -10.668 -8.288 1.00 0.00 C ATOM 0 H TRP A 100 -6.068 -8.337 -4.016 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.870 -9.531 -2.666 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.546 -9.794 -5.095 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.956 -8.169 -5.385 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.666 -9.831 -2.963 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.472 -10.697 -4.127 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.232 -9.414 -7.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.323 -11.159 -6.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.697 -10.103 -9.612 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.549 -10.962 -9.097 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.602 -6.314 -3.397 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.891 -5.091 -3.052 1.00 0.00 C ATOM 1596 C ALA A 101 -3.116 -4.736 -1.591 1.00 0.00 C ATOM 1597 O ALA A 101 -2.202 -4.286 -0.895 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.349 -3.949 -3.945 1.00 0.00 C ATOM 0 H ALA A 101 -4.355 -6.186 -4.073 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.825 -5.256 -3.207 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.811 -3.040 -3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.146 -4.198 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.419 -3.789 -3.812 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.336 -4.964 -1.130 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.708 -4.651 0.237 1.00 0.00 C ATOM 1606 C PHE A 102 -3.980 -5.568 1.216 1.00 0.00 C ATOM 1607 O PHE A 102 -3.671 -5.170 2.338 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.219 -4.767 0.410 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.707 -4.362 1.775 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -7.126 -5.314 2.693 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.745 -3.026 2.138 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.572 -4.938 3.945 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.189 -2.645 3.389 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.604 -3.603 4.294 1.00 0.00 C ATOM 0 H PHE A 102 -5.088 -5.367 -1.688 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.412 -3.624 0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.710 -4.147 -0.340 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.519 -5.797 0.218 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.103 -6.360 2.426 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.423 -2.273 1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.896 -5.689 4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.212 -1.600 3.660 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.953 -3.308 5.273 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.692 -6.792 0.777 1.00 0.00 N ATOM 1625 CA ARG A 103 -2.975 -7.751 1.602 1.00 0.00 C ATOM 1626 C ARG A 103 -1.567 -7.248 1.885 1.00 0.00 C ATOM 1627 O ARG A 103 -1.123 -7.229 3.033 1.00 0.00 O ATOM 1628 CB ARG A 103 -2.889 -9.112 0.912 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.228 -10.158 1.793 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.882 -11.445 1.050 1.00 0.00 C ATOM 1631 NE ARG A 103 -3.053 -12.108 0.486 1.00 0.00 N ATOM 1632 CZ ARG A 103 -3.045 -13.366 0.057 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -1.942 -14.093 0.156 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -4.137 -13.902 -0.460 1.00 0.00 N ATOM 0 H ARG A 103 -3.947 -7.139 -0.148 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.524 -7.863 2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.891 -9.446 0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.327 -9.013 -0.016 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.318 -9.739 2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -2.892 -10.394 2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.178 -11.218 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.378 -12.128 1.733 1.00 0.00 H new ATOM 0 HE ARG A 103 -3.922 -11.579 0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.099 -13.687 0.562 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.936 -15.058 -0.173 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -4.992 -13.350 -0.531 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -4.125 -14.868 -0.788 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.881 -6.834 0.824 1.00 0.00 N ATOM 1649 CA GLY A 104 0.480 -6.347 0.957 1.00 0.00 C ATOM 1650 C GLY A 104 0.562 -5.132 1.857 1.00 0.00 C ATOM 1651 O GLY A 104 1.433 -5.044 2.726 1.00 0.00 O ATOM 0 H GLY A 104 -1.245 -6.827 -0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.111 -7.140 1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.873 -6.096 -0.028 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.369 -4.206 1.663 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.396 -2.970 2.425 1.00 0.00 C ATOM 1657 C PHE A 105 -0.666 -3.243 3.902 1.00 0.00 C ATOM 1658 O PHE A 105 0.029 -2.723 4.776 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.451 -2.026 1.844 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.727 -0.813 2.686 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -0.683 -0.045 3.176 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -3.029 -0.430 2.974 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -0.933 1.078 3.940 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -3.281 0.691 3.739 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.232 1.446 4.222 1.00 0.00 C ATOM 0 H PHE A 105 -1.120 -4.292 0.978 1.00 0.00 H new ATOM 0 HA PHE A 105 0.582 -2.494 2.352 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.126 -1.701 0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.381 -2.579 1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.336 -0.327 2.958 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.854 -1.015 2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.111 1.668 4.317 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.299 0.977 3.959 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.428 2.324 4.820 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.658 -4.081 4.175 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.064 -4.355 5.547 1.00 0.00 C ATOM 1677 C LYS A 106 -0.963 -5.092 6.306 1.00 0.00 C ATOM 1678 O LYS A 106 -0.682 -4.785 7.464 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.377 -5.152 5.583 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.626 -5.827 6.918 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.904 -6.651 6.924 1.00 0.00 C ATOM 1682 CE LYS A 106 -4.769 -7.926 6.107 1.00 0.00 C ATOM 1683 NZ LYS A 106 -5.921 -8.836 6.323 1.00 0.00 N ATOM 0 H LYS A 106 -2.195 -4.581 3.467 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.235 -3.399 6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.208 -4.482 5.360 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.358 -5.908 4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.781 -6.472 7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.682 -5.069 7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.165 -6.906 7.951 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.723 -6.051 6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.696 -7.675 5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -3.845 -8.437 6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.797 -9.695 5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -5.975 -9.095 7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.800 -8.357 6.041 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.337 -6.051 5.632 1.00 0.00 N ATOM 1698 CA CYS A 107 0.728 -6.852 6.220 1.00 0.00 C ATOM 1699 C CYS A 107 1.881 -5.975 6.692 1.00 0.00 C ATOM 1700 O CYS A 107 2.398 -6.150 7.797 1.00 0.00 O ATOM 1701 CB CYS A 107 1.227 -7.878 5.193 1.00 0.00 C ATOM 1702 SG CYS A 107 2.776 -8.732 5.651 1.00 0.00 S ATOM 0 H CYS A 107 -0.554 -6.294 4.665 1.00 0.00 H new ATOM 0 HA CYS A 107 0.328 -7.373 7.090 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.449 -8.625 5.040 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.376 -7.373 4.239 1.00 0.00 H new ATOM 1707 N PHE A 108 2.261 -5.018 5.855 1.00 0.00 N ATOM 1708 CA PHE A 108 3.433 -4.201 6.114 1.00 0.00 C ATOM 1709 C PHE A 108 3.149 -3.156 7.191 1.00 0.00 C ATOM 1710 O PHE A 108 3.935 -2.994 8.124 1.00 0.00 O ATOM 1711 CB PHE A 108 3.888 -3.531 4.819 1.00 0.00 C ATOM 1712 CG PHE A 108 5.295 -3.005 4.865 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.354 -3.802 4.457 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.561 -1.720 5.310 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.649 -3.326 4.491 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.857 -1.241 5.346 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.901 -2.046 4.935 1.00 0.00 C ATOM 0 H PHE A 108 1.771 -4.790 4.990 1.00 0.00 H new ATOM 0 HA PHE A 108 4.232 -4.845 6.483 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.806 -4.248 4.002 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.211 -2.708 4.590 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.163 -4.806 4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.748 -1.087 5.632 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.465 -3.957 4.170 1.00 0.00 H new ATOM 0 HE2 PHE A 108 7.053 -0.238 5.695 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.914 -1.673 4.962 1.00 0.00 H new ATOM 1727 N GLN A 109 2.017 -2.464 7.076 1.00 0.00 N ATOM 1728 CA GLN A 109 1.660 -1.418 8.032 1.00 0.00 C ATOM 1729 C GLN A 109 1.433 -2.004 9.421 1.00 0.00 C ATOM 1730 O GLN A 109 1.585 -1.315 10.432 1.00 0.00 O ATOM 1731 CB GLN A 109 0.417 -0.647 7.561 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.883 -1.444 7.573 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.742 -1.160 8.794 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.240 -0.831 9.865 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -3.048 -1.290 8.640 1.00 0.00 N ATOM 0 H GLN A 109 1.333 -2.608 6.333 1.00 0.00 H new ATOM 0 HA GLN A 109 2.494 -0.719 8.090 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.292 0.231 8.194 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.595 -0.287 6.548 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.453 -1.213 6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.651 -2.508 7.539 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.430 -1.565 7.735 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.674 -1.115 9.426 1.00 0.00 H new ATOM 1744 N LYS A 110 1.092 -3.286 9.458 1.00 0.00 N ATOM 1745 CA LYS A 110 0.822 -3.982 10.702 1.00 0.00 C ATOM 1746 C LYS A 110 2.051 -3.970 11.608 1.00 0.00 C ATOM 1747 O LYS A 110 1.931 -3.932 12.833 1.00 0.00 O ATOM 1748 CB LYS A 110 0.400 -5.416 10.386 1.00 0.00 C ATOM 1749 CG LYS A 110 0.077 -6.259 11.601 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.454 -7.626 11.198 1.00 0.00 C ATOM 1751 CE LYS A 110 -0.730 -8.504 12.408 1.00 0.00 C ATOM 1752 NZ LYS A 110 -1.261 -9.837 12.019 1.00 0.00 N ATOM 0 H LYS A 110 0.996 -3.868 8.626 1.00 0.00 H new ATOM 0 HA LYS A 110 0.017 -3.474 11.233 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.474 -5.389 9.736 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.199 -5.901 9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.972 -6.379 12.211 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.662 -5.746 12.216 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.371 -7.504 10.621 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.269 -8.119 10.548 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.189 -8.633 12.980 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.445 -8.006 13.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -1.436 -10.404 12.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.151 -9.717 11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -0.568 -10.324 11.416 1.00 0.00 H new ATOM 1766 N ASN A 111 3.228 -3.973 10.995 1.00 0.00 N ATOM 1767 CA ASN A 111 4.476 -4.025 11.746 1.00 0.00 C ATOM 1768 C ASN A 111 5.287 -2.748 11.563 1.00 0.00 C ATOM 1769 O ASN A 111 6.016 -2.332 12.464 1.00 0.00 O ATOM 1770 CB ASN A 111 5.319 -5.224 11.306 1.00 0.00 C ATOM 1771 CG ASN A 111 4.588 -6.544 11.455 1.00 0.00 C ATOM 1772 OD1 ASN A 111 3.762 -6.717 12.351 1.00 0.00 O ATOM 1773 ND2 ASN A 111 4.875 -7.481 10.567 1.00 0.00 N ATOM 0 H ASN A 111 3.345 -3.940 9.982 1.00 0.00 H new ATOM 0 HA ASN A 111 4.217 -4.128 12.800 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.613 -5.093 10.265 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.236 -5.253 11.895 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.405 -8.385 10.610 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.566 -7.299 9.839 1.00 0.00 H new ATOM 1780 N ASN A 112 5.151 -2.118 10.402 1.00 0.00 N ATOM 1781 CA ASN A 112 6.009 -0.995 10.045 1.00 0.00 C ATOM 1782 C ASN A 112 5.213 0.158 9.448 1.00 0.00 C ATOM 1783 O ASN A 112 5.444 0.553 8.305 1.00 0.00 O ATOM 1784 CB ASN A 112 7.065 -1.444 9.035 1.00 0.00 C ATOM 1785 CG ASN A 112 8.028 -2.474 9.588 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.445 -2.403 10.744 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.358 -3.461 8.771 1.00 0.00 N ATOM 0 H ASN A 112 4.458 -2.364 9.695 1.00 0.00 H new ATOM 0 HA ASN A 112 6.486 -0.647 10.961 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.566 -1.858 8.159 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.629 -0.574 8.699 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.981 -4.202 9.092 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.989 -3.481 7.820 1.00 0.00 H new ATOM 1794 N LEU A 113 4.291 0.716 10.218 1.00 0.00 N ATOM 1795 CA LEU A 113 3.493 1.836 9.731 1.00 0.00 C ATOM 1796 C LEU A 113 4.315 3.122 9.759 1.00 0.00 C ATOM 1797 O LEU A 113 4.119 4.021 8.938 1.00 0.00 O ATOM 1798 CB LEU A 113 2.209 1.999 10.551 1.00 0.00 C ATOM 1799 CG LEU A 113 1.354 3.211 10.191 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.835 3.084 8.769 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.201 3.347 11.170 1.00 0.00 C ATOM 0 H LEU A 113 4.077 0.419 11.170 1.00 0.00 H new ATOM 0 HA LEU A 113 3.206 1.626 8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.604 1.100 10.431 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.477 2.064 11.606 1.00 0.00 H new ATOM 0 HG LEU A 113 1.970 4.108 10.254 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.227 3.955 8.525 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.676 3.024 8.079 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.229 2.182 8.682 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.402 4.215 10.903 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.417 2.450 11.131 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.593 3.474 12.179 1.00 0.00 H new ATOM 1813 N SER A 114 5.251 3.185 10.697 1.00 0.00 N ATOM 1814 CA SER A 114 6.132 4.338 10.839 1.00 0.00 C ATOM 1815 C SER A 114 6.936 4.567 9.559 1.00 0.00 C ATOM 1816 O SER A 114 7.113 5.707 9.121 1.00 0.00 O ATOM 1817 CB SER A 114 7.073 4.133 12.030 1.00 0.00 C ATOM 1818 OG SER A 114 7.913 5.259 12.225 1.00 0.00 O ATOM 0 H SER A 114 5.421 2.444 11.377 1.00 0.00 H new ATOM 0 HA SER A 114 5.520 5.222 11.018 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.487 3.953 12.932 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.684 3.246 11.865 1.00 0.00 H new ATOM 0 HG SER A 114 8.501 5.099 12.993 1.00 0.00 H new ATOM 1824 N LEU A 115 7.394 3.481 8.944 1.00 0.00 N ATOM 1825 CA LEU A 115 8.195 3.581 7.735 1.00 0.00 C ATOM 1826 C LEU A 115 7.339 4.071 6.576 1.00 0.00 C ATOM 1827 O LEU A 115 7.819 4.767 5.689 1.00 0.00 O ATOM 1828 CB LEU A 115 8.818 2.231 7.396 1.00 0.00 C ATOM 1829 CG LEU A 115 9.821 2.251 6.246 1.00 0.00 C ATOM 1830 CD1 LEU A 115 11.004 3.129 6.606 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.285 0.842 5.914 1.00 0.00 C ATOM 0 H LEU A 115 7.224 2.527 9.263 1.00 0.00 H new ATOM 0 HA LEU A 115 8.996 4.299 7.908 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.316 1.845 8.285 1.00 0.00 H new ATOM 0 HB3 LEU A 115 8.019 1.532 7.149 1.00 0.00 H new ATOM 0 HG LEU A 115 9.332 2.663 5.363 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.715 3.138 5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.658 4.145 6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.490 2.736 7.499 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.999 0.879 5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.761 0.400 6.789 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.427 0.236 5.623 1.00 0.00 H new ATOM 1843 N ILE A 116 6.062 3.717 6.606 1.00 0.00 N ATOM 1844 CA ILE A 116 5.124 4.147 5.583 1.00 0.00 C ATOM 1845 C ILE A 116 4.878 5.647 5.698 1.00 0.00 C ATOM 1846 O ILE A 116 4.851 6.368 4.699 1.00 0.00 O ATOM 1847 CB ILE A 116 3.785 3.387 5.699 1.00 0.00 C ATOM 1848 CG1 ILE A 116 4.019 1.882 5.546 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.793 3.883 4.656 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.757 1.062 5.642 1.00 0.00 C ATOM 0 H ILE A 116 5.652 3.130 7.332 1.00 0.00 H new ATOM 0 HA ILE A 116 5.560 3.924 4.609 1.00 0.00 H new ATOM 0 HB ILE A 116 3.362 3.576 6.686 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.493 1.693 4.583 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.717 1.551 6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.856 3.335 4.755 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.608 4.947 4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.203 3.723 3.659 1.00 0.00 H new ATOM 0 HD11 ILE A 116 3.000 0.006 5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.293 1.222 6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.065 1.365 4.856 1.00 0.00 H new ATOM 1862 N LYS A 117 4.727 6.111 6.931 1.00 0.00 N ATOM 1863 CA LYS A 117 4.550 7.527 7.203 1.00 0.00 C ATOM 1864 C LYS A 117 5.789 8.317 6.791 1.00 0.00 C ATOM 1865 O LYS A 117 5.685 9.387 6.196 1.00 0.00 O ATOM 1866 CB LYS A 117 4.257 7.745 8.687 1.00 0.00 C ATOM 1867 CG LYS A 117 2.846 7.333 9.095 1.00 0.00 C ATOM 1868 CD LYS A 117 2.622 7.493 10.594 1.00 0.00 C ATOM 1869 CE LYS A 117 1.155 7.320 10.968 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.318 8.454 10.488 1.00 0.00 N ATOM 0 H LYS A 117 4.724 5.521 7.763 1.00 0.00 H new ATOM 0 HA LYS A 117 3.704 7.886 6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.977 7.180 9.278 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.403 8.798 8.927 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.119 7.937 8.552 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.674 6.295 8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.223 6.760 11.132 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.964 8.479 10.910 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.780 6.388 10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.065 7.236 12.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.266 8.810 11.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.933 9.217 10.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -0.299 8.128 9.716 1.00 0.00 H new ATOM 1884 N ALA A 118 6.959 7.775 7.106 1.00 0.00 N ATOM 1885 CA ALA A 118 8.224 8.414 6.762 1.00 0.00 C ATOM 1886 C ALA A 118 8.488 8.351 5.261 1.00 0.00 C ATOM 1887 O ALA A 118 9.158 9.217 4.702 1.00 0.00 O ATOM 1888 CB ALA A 118 9.350 7.744 7.517 1.00 0.00 C ATOM 0 H ALA A 118 7.058 6.889 7.602 1.00 0.00 H new ATOM 0 HA ALA A 118 8.167 9.465 7.046 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.295 8.222 7.260 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.176 7.838 8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.392 6.689 7.247 1.00 0.00 H new ATOM 1894 N SER A 119 7.964 7.312 4.630 1.00 0.00 N ATOM 1895 CA SER A 119 8.125 7.099 3.196 1.00 0.00 C ATOM 1896 C SER A 119 7.620 8.291 2.381 1.00 0.00 C ATOM 1897 O SER A 119 8.277 8.728 1.431 1.00 0.00 O ATOM 1898 CB SER A 119 7.383 5.826 2.777 1.00 0.00 C ATOM 1899 OG SER A 119 7.515 5.584 1.392 1.00 0.00 O ATOM 0 H SER A 119 7.414 6.590 5.096 1.00 0.00 H new ATOM 0 HA SER A 119 9.190 6.990 2.992 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.774 4.975 3.335 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.327 5.918 3.033 1.00 0.00 H new ATOM 0 HG SER A 119 6.896 4.873 1.124 1.00 0.00 H new ATOM 1905 N ILE A 120 6.459 8.811 2.753 1.00 0.00 N ATOM 1906 CA ILE A 120 5.849 9.919 2.027 1.00 0.00 C ATOM 1907 C ILE A 120 6.200 11.260 2.661 1.00 0.00 C ATOM 1908 O ILE A 120 5.822 12.320 2.154 1.00 0.00 O ATOM 1909 CB ILE A 120 4.316 9.775 1.980 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.742 9.690 3.397 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.923 8.550 1.170 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.236 9.800 3.445 1.00 0.00 C ATOM 0 H ILE A 120 5.919 8.484 3.554 1.00 0.00 H new ATOM 0 HA ILE A 120 6.247 9.889 1.013 1.00 0.00 H new ATOM 0 HB ILE A 120 3.900 10.657 1.494 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.044 8.744 3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.176 10.484 4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.837 8.462 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.301 8.650 0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.349 7.658 1.629 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.899 9.732 4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.928 10.758 3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.793 8.990 2.865 1.00 0.00 H new ATOM 1924 N LYS A 121 6.909 11.203 3.778 1.00 0.00 N ATOM 1925 CA LYS A 121 7.277 12.394 4.522 1.00 0.00 C ATOM 1926 C LYS A 121 8.630 12.914 4.055 1.00 0.00 C ATOM 1927 O LYS A 121 9.587 12.142 3.948 1.00 0.00 O ATOM 1928 CB LYS A 121 7.318 12.060 6.014 1.00 0.00 C ATOM 1929 CG LYS A 121 7.466 13.266 6.925 1.00 0.00 C ATOM 1930 CD LYS A 121 7.426 12.849 8.387 1.00 0.00 C ATOM 1931 CE LYS A 121 7.636 14.031 9.319 1.00 0.00 C ATOM 1932 NZ LYS A 121 8.969 14.657 9.128 1.00 0.00 N ATOM 0 H LYS A 121 7.244 10.333 4.192 1.00 0.00 H new ATOM 0 HA LYS A 121 6.536 13.174 4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.404 11.530 6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.148 11.377 6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.407 13.774 6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.667 13.979 6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 121 6.466 12.381 8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 121 8.195 12.100 8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 121 6.858 14.774 9.144 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.535 13.701 10.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.171 15.294 9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 9.697 13.916 9.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 8.974 15.200 8.241 1.00 0.00 H new