USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 795 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 48 GLN :FLIP amide:sc= -5.04 F(o=-12!,f=-3) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 150:sc= 2.09 (180deg=0.431) USER MOD Single : A 8 TYR OH : rot 91:sc= -1.2! USER MOD Single : A 10 ASN : amide:sc= -0.788 K(o=-0.79,f=-2.9!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN :FLIP amide:sc= -4.08 F(o=-6!,f=-4.1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= -1.4 USER MOD Single : A 28 ASN : amide:sc= -0.0952 K(o=-0.095,f=-1.8!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 125:sc= 0.44 USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0082) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -6.47! C(o=-7.2!,f=-6.5!) USER MOD Single : A 61 ASN :FLIP amide:sc= -3.22! C(o=-3.7!,f=-3.2!) USER MOD Single : A 62 GLN : amide:sc= -2.16! C(o=-2.2!,f=-5.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.308 USER MOD Single : A 72 HIS :FLIP no HD1:sc= -6.03! C(o=-7.3!,f=-6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -1.32 K(o=-1.3,f=-3.5!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -110:sc= 1.69 USER MOD Single : A 93 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.1) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -138:sc= -0.25 (180deg=-2.14!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 173:sc= -0.109 (180deg=-0.192) USER MOD ----------------------------------------------------------------- ATOM 121 N TYR A 8 -18.055 2.108 1.467 1.00 0.00 N ATOM 122 CA TYR A 8 -16.736 2.641 1.182 1.00 0.00 C ATOM 123 C TYR A 8 -15.985 1.725 0.214 1.00 0.00 C ATOM 124 O TYR A 8 -16.590 1.039 -0.544 1.00 0.00 O ATOM 125 CB TYR A 8 -15.956 2.809 2.492 1.00 0.00 C ATOM 126 CG TYR A 8 -15.377 1.523 3.039 1.00 0.00 C ATOM 127 CD1 TYR A 8 -16.076 0.324 2.941 1.00 0.00 C ATOM 128 CD2 TYR A 8 -14.133 1.506 3.664 1.00 0.00 C ATOM 129 CE1 TYR A 8 -15.554 -0.774 3.445 1.00 0.00 C ATOM 130 CE2 TYR A 8 -13.602 0.334 4.163 1.00 0.00 C ATOM 131 CZ TYR A 8 -14.313 -0.760 4.050 1.00 0.00 C ATOM 132 OH TYR A 8 -13.793 -1.928 4.546 1.00 0.00 O ATOM 0 HA TYR A 8 -16.839 3.616 0.706 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -15.145 3.519 2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -16.617 3.245 3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -17.040 0.295 2.455 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -13.574 2.425 3.760 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -16.105 -1.701 3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.630 0.319 4.633 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.252 -2.365 3.855 1.00 0.00 H new ATOM 142 N ASP A 9 -14.664 1.722 0.322 1.00 0.00 N ATOM 143 CA ASP A 9 -13.822 0.899 -0.470 1.00 0.00 C ATOM 144 C ASP A 9 -14.152 -0.506 -0.319 1.00 0.00 C ATOM 145 O ASP A 9 -15.247 -0.852 0.086 1.00 0.00 O ATOM 146 CB ASP A 9 -12.349 1.149 -0.158 1.00 0.00 C ATOM 147 CG ASP A 9 -11.540 1.559 -1.335 1.00 0.00 C ATOM 148 OD1 ASP A 9 -11.945 2.510 -2.031 1.00 0.00 O ATOM 149 OD2 ASP A 9 -10.497 0.920 -1.590 1.00 0.00 O ATOM 0 H ASP A 9 -14.157 2.311 0.982 1.00 0.00 H new ATOM 0 HA ASP A 9 -13.995 1.169 -1.512 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.277 1.923 0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -11.920 0.241 0.266 1.00 0.00 H new ATOM 154 N ASN A 10 -13.224 -1.370 -0.691 1.00 0.00 N ATOM 155 CA ASN A 10 -13.432 -2.815 -0.604 1.00 0.00 C ATOM 156 C ASN A 10 -12.969 -3.361 0.679 1.00 0.00 C ATOM 157 O ASN A 10 -13.773 -3.543 1.598 1.00 0.00 O ATOM 158 CB ASN A 10 -12.680 -3.522 -1.718 1.00 0.00 C ATOM 159 CG ASN A 10 -13.500 -3.612 -2.991 1.00 0.00 C ATOM 160 OD1 ASN A 10 -13.167 -2.988 -3.996 1.00 0.00 O ATOM 161 ND2 ASN A 10 -14.579 -4.381 -2.950 1.00 0.00 N ATOM 0 H ASN A 10 -12.312 -1.099 -1.059 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.505 -2.985 -0.694 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -11.751 -2.990 -1.922 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -12.407 -4.525 -1.391 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.171 -4.473 -3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.817 -4.881 -2.093 1.00 0.00 H new ATOM 168 N ILE A 11 -11.664 -3.628 0.796 1.00 0.00 N ATOM 169 CA ILE A 11 -11.099 -4.157 2.025 1.00 0.00 C ATOM 170 C ILE A 11 -11.240 -3.131 3.156 1.00 0.00 C ATOM 171 O ILE A 11 -11.801 -2.051 2.946 1.00 0.00 O ATOM 172 CB ILE A 11 -9.604 -4.550 1.810 1.00 0.00 C ATOM 173 CG1 ILE A 11 -9.391 -6.030 2.148 1.00 0.00 C ATOM 174 CG2 ILE A 11 -8.639 -3.667 2.595 1.00 0.00 C ATOM 175 CD1 ILE A 11 -9.390 -6.333 3.633 1.00 0.00 C ATOM 0 H ILE A 11 -10.985 -3.483 0.049 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.647 -5.055 2.308 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.379 -4.387 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.175 -6.617 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.442 -6.356 1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.615 -3.989 2.405 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.758 -2.630 2.281 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.854 -3.751 3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.234 -7.401 3.786 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.588 -5.776 4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.347 -6.041 4.065 1.00 0.00 H new ATOM 187 N ASN A 12 -10.742 -3.462 4.343 1.00 0.00 N ATOM 188 CA ASN A 12 -10.825 -2.549 5.479 1.00 0.00 C ATOM 189 C ASN A 12 -9.815 -1.415 5.326 1.00 0.00 C ATOM 190 O ASN A 12 -9.026 -1.143 6.233 1.00 0.00 O ATOM 191 CB ASN A 12 -10.568 -3.310 6.786 1.00 0.00 C ATOM 192 CG ASN A 12 -11.838 -3.895 7.372 1.00 0.00 C ATOM 193 OD1 ASN A 12 -12.268 -4.987 6.995 1.00 0.00 O ATOM 194 ND2 ASN A 12 -12.445 -3.168 8.297 1.00 0.00 N ATOM 0 H ASN A 12 -10.280 -4.349 4.543 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.827 -2.121 5.509 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.853 -4.112 6.602 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.112 -2.637 7.512 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.305 -3.506 8.729 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -12.053 -2.269 8.578 1.00 0.00 H new ATOM 201 N LEU A 13 -9.830 -0.770 4.156 1.00 0.00 N ATOM 202 CA LEU A 13 -8.927 0.241 3.858 1.00 0.00 C ATOM 203 C LEU A 13 -9.309 1.509 4.608 1.00 0.00 C ATOM 204 O LEU A 13 -9.582 2.542 4.004 1.00 0.00 O ATOM 205 CB LEU A 13 -8.940 0.483 2.350 1.00 0.00 C ATOM 206 CG LEU A 13 -7.636 1.038 1.788 1.00 0.00 C ATOM 207 CD1 LEU A 13 -7.443 0.576 0.356 1.00 0.00 C ATOM 208 CD2 LEU A 13 -7.633 2.551 1.878 1.00 0.00 C ATOM 0 H LEU A 13 -10.495 -0.970 3.409 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.923 -0.049 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.168 -0.456 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.747 1.176 2.113 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.803 0.660 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.508 0.979 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.409 -0.513 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.273 0.929 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.697 2.938 1.474 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.469 2.951 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.731 2.854 2.921 1.00 0.00 H new ATOM 220 N ASP A 14 -9.292 1.417 5.918 1.00 0.00 N ATOM 221 CA ASP A 14 -9.607 2.529 6.779 1.00 0.00 C ATOM 222 C ASP A 14 -8.601 2.550 7.917 1.00 0.00 C ATOM 223 O ASP A 14 -7.905 3.544 8.141 1.00 0.00 O ATOM 224 CB ASP A 14 -11.030 2.411 7.319 1.00 0.00 C ATOM 225 CG ASP A 14 -11.797 3.715 7.221 1.00 0.00 C ATOM 226 OD1 ASP A 14 -12.057 4.165 6.084 1.00 0.00 O ATOM 227 OD2 ASP A 14 -12.143 4.290 8.276 1.00 0.00 O ATOM 0 H ASP A 14 -9.057 0.560 6.418 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.550 3.460 6.215 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.562 1.637 6.766 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.995 2.091 8.360 1.00 0.00 H new ATOM 232 N GLU A 15 -8.526 1.427 8.608 1.00 0.00 N ATOM 233 CA GLU A 15 -7.599 1.270 9.718 1.00 0.00 C ATOM 234 C GLU A 15 -6.155 1.424 9.245 1.00 0.00 C ATOM 235 O GLU A 15 -5.292 1.816 10.018 1.00 0.00 O ATOM 236 CB GLU A 15 -7.790 -0.037 10.390 1.00 0.00 C ATOM 237 CG GLU A 15 -7.481 -1.178 9.483 1.00 0.00 C ATOM 238 CD GLU A 15 -7.821 -2.515 10.122 1.00 0.00 C ATOM 239 OE1 GLU A 15 -7.641 -2.649 11.353 1.00 0.00 O ATOM 240 OE2 GLU A 15 -8.258 -3.423 9.396 1.00 0.00 O ATOM 0 H GLU A 15 -9.099 0.605 8.420 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.809 2.057 10.442 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.150 -0.089 11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.819 -0.119 10.739 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.041 -1.066 8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.423 -1.159 9.222 1.00 0.00 H new ATOM 247 N ILE A 16 -5.901 1.109 7.974 1.00 0.00 N ATOM 248 CA ILE A 16 -4.539 1.218 7.450 1.00 0.00 C ATOM 249 C ILE A 16 -4.201 2.670 7.094 1.00 0.00 C ATOM 250 O ILE A 16 -3.029 3.006 6.935 1.00 0.00 O ATOM 251 CB ILE A 16 -4.306 0.332 6.221 1.00 0.00 C ATOM 252 CG1 ILE A 16 -4.873 -0.984 6.462 1.00 0.00 C ATOM 253 CG2 ILE A 16 -2.817 0.266 5.913 1.00 0.00 C ATOM 254 CD1 ILE A 16 -4.991 -1.813 5.204 1.00 0.00 C ATOM 0 H ILE A 16 -6.599 0.785 7.304 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.881 0.871 8.247 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.803 0.755 5.348 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.252 -1.515 7.184 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.860 -0.872 6.911 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.654 -0.364 5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.442 1.270 5.712 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.287 -0.154 6.768 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.421 -2.785 5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.635 -1.300 4.489 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.003 -1.953 4.766 1.00 0.00 H new ATOM 266 N LEU A 17 -5.221 3.509 6.989 1.00 0.00 N ATOM 267 CA LEU A 17 -5.011 4.916 6.668 1.00 0.00 C ATOM 268 C LEU A 17 -5.532 5.798 7.797 1.00 0.00 C ATOM 269 O LEU A 17 -5.465 7.025 7.724 1.00 0.00 O ATOM 270 CB LEU A 17 -5.691 5.270 5.341 1.00 0.00 C ATOM 271 CG LEU A 17 -5.865 6.762 5.067 1.00 0.00 C ATOM 272 CD1 LEU A 17 -4.536 7.488 5.196 1.00 0.00 C ATOM 273 CD2 LEU A 17 -6.467 6.976 3.685 1.00 0.00 C ATOM 0 H LEU A 17 -6.197 3.244 7.120 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.941 5.095 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.110 4.835 4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.673 4.798 5.319 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.548 7.176 5.809 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.681 8.550 4.997 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.147 7.358 6.206 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.826 7.078 4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.586 8.044 3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.806 6.550 2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.440 6.488 3.633 1.00 0.00 H new ATOM 285 N ALA A 18 -6.040 5.164 8.852 1.00 0.00 N ATOM 286 CA ALA A 18 -6.569 5.890 10.000 1.00 0.00 C ATOM 287 C ALA A 18 -5.473 6.695 10.683 1.00 0.00 C ATOM 288 O ALA A 18 -5.695 7.830 11.101 1.00 0.00 O ATOM 289 CB ALA A 18 -7.209 4.920 10.985 1.00 0.00 C ATOM 0 H ALA A 18 -6.096 4.149 8.934 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.330 6.586 9.647 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.601 5.474 11.838 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.023 4.387 10.494 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.462 4.205 11.329 1.00 0.00 H new ATOM 295 N ASN A 19 -4.286 6.115 10.801 1.00 0.00 N ATOM 296 CA ASN A 19 -3.172 6.797 11.441 1.00 0.00 C ATOM 297 C ASN A 19 -1.830 6.125 11.150 1.00 0.00 C ATOM 298 O ASN A 19 -1.757 4.990 10.649 1.00 0.00 O ATOM 299 CB ASN A 19 -3.384 6.882 12.954 1.00 0.00 C ATOM 300 CG ASN A 19 -4.213 5.733 13.497 1.00 0.00 C ATOM 301 OD1 ASN A 19 -3.947 4.532 12.995 1.00 0.00 O flip ATOM 302 ND2 ASN A 19 -5.072 5.917 14.356 1.00 0.00 N flip ATOM 0 H ASN A 19 -4.071 5.177 10.463 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.141 7.801 11.019 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.415 6.892 13.452 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -3.876 7.824 13.195 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.243 6.857 14.713 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -5.614 5.130 14.712 1.00 0.00 H new ATOM 309 N LYS A 20 -0.760 6.848 11.475 1.00 0.00 N ATOM 310 CA LYS A 20 0.516 6.365 11.270 1.00 0.00 C ATOM 311 C LYS A 20 0.717 5.018 11.939 1.00 0.00 C ATOM 312 O LYS A 20 1.341 4.126 11.387 1.00 0.00 O ATOM 313 CB LYS A 20 1.560 7.361 11.806 1.00 0.00 C ATOM 314 CG LYS A 20 1.068 8.796 11.905 1.00 0.00 C ATOM 315 CD LYS A 20 0.417 9.062 13.256 1.00 0.00 C ATOM 316 CE LYS A 20 1.326 9.886 14.161 1.00 0.00 C ATOM 317 NZ LYS A 20 1.002 9.674 15.601 1.00 0.00 N ATOM 0 H LYS A 20 -0.801 7.781 11.886 1.00 0.00 H new ATOM 0 HA LYS A 20 0.647 6.240 10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.884 7.032 12.793 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.436 7.334 11.158 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.904 9.481 11.760 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.352 8.994 11.108 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.526 9.588 13.109 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.181 8.114 13.741 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.366 9.615 13.977 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.224 10.943 13.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.639 10.249 16.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.017 9.956 15.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.124 8.669 15.840 1.00 0.00 H new ATOM 331 N ARG A 21 0.192 4.868 13.143 1.00 0.00 N ATOM 332 CA ARG A 21 0.332 3.619 13.880 1.00 0.00 C ATOM 333 C ARG A 21 0.010 2.418 12.998 1.00 0.00 C ATOM 334 O ARG A 21 0.564 1.336 13.180 1.00 0.00 O ATOM 335 CB ARG A 21 -0.486 3.620 15.122 1.00 0.00 C ATOM 336 CG ARG A 21 -1.964 3.648 14.802 1.00 0.00 C ATOM 337 CD ARG A 21 -2.794 3.081 15.946 1.00 0.00 C ATOM 338 NE ARG A 21 -2.406 3.637 17.232 1.00 0.00 N ATOM 339 CZ ARG A 21 -2.755 4.859 17.643 1.00 0.00 C ATOM 340 NH1 ARG A 21 -3.492 5.642 16.874 1.00 0.00 N ATOM 341 NH2 ARG A 21 -2.361 5.288 18.835 1.00 0.00 N ATOM 0 H ARG A 21 -0.334 5.592 13.632 1.00 0.00 H new ATOM 0 HA ARG A 21 1.375 3.534 14.183 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.256 2.734 15.713 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.226 4.486 15.731 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.274 4.673 14.600 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.152 3.073 13.895 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.849 3.288 15.765 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.682 1.997 15.972 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.837 3.063 17.854 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.799 5.314 15.958 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.754 6.574 17.197 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.795 4.686 19.432 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.624 6.220 19.154 1.00 0.00 H new ATOM 355 N LEU A 22 -0.811 2.609 12.040 1.00 0.00 N ATOM 356 CA LEU A 22 -1.198 1.529 11.153 1.00 0.00 C ATOM 357 C LEU A 22 -0.443 1.584 9.839 1.00 0.00 C ATOM 358 O LEU A 22 0.213 0.646 9.496 1.00 0.00 O ATOM 359 CB LEU A 22 -2.708 1.546 10.908 1.00 0.00 C ATOM 360 CG LEU A 22 -3.504 0.540 11.751 1.00 0.00 C ATOM 361 CD1 LEU A 22 -4.558 1.249 12.582 1.00 0.00 C ATOM 362 CD2 LEU A 22 -4.146 -0.443 10.855 1.00 0.00 C ATOM 0 H LEU A 22 -1.246 3.507 11.829 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.935 0.592 11.644 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.084 2.549 11.111 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.894 1.344 9.853 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.822 0.030 12.431 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.110 0.517 13.171 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.075 1.963 13.250 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.247 1.777 11.923 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.713 -1.160 11.448 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.819 0.074 10.170 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.381 -0.969 10.284 1.00 0.00 H new ATOM 374 N LEU A 23 -0.605 2.668 9.085 1.00 0.00 N ATOM 375 CA LEU A 23 0.015 2.792 7.814 1.00 0.00 C ATOM 376 C LEU A 23 1.511 2.576 8.021 1.00 0.00 C ATOM 377 O LEU A 23 2.184 1.920 7.216 1.00 0.00 O ATOM 378 CB LEU A 23 -0.170 4.153 7.163 1.00 0.00 C ATOM 379 CG LEU A 23 -0.217 5.337 8.133 1.00 0.00 C ATOM 380 CD1 LEU A 23 0.778 6.357 7.785 1.00 0.00 C ATOM 381 CD2 LEU A 23 -1.593 5.982 8.107 1.00 0.00 C ATOM 0 H LEU A 23 -1.172 3.471 9.357 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.448 2.060 7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.644 4.314 6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.094 4.140 6.586 1.00 0.00 H new ATOM 0 HG LEU A 23 0.003 4.949 9.127 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.716 7.182 8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.776 5.920 7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.582 6.728 6.779 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.614 6.823 8.801 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.809 6.337 7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.344 5.249 8.402 1.00 0.00 H new ATOM 393 N VAL A 24 2.007 3.099 9.134 1.00 0.00 N ATOM 394 CA VAL A 24 3.415 2.950 9.474 1.00 0.00 C ATOM 395 C VAL A 24 3.691 1.523 9.911 1.00 0.00 C ATOM 396 O VAL A 24 4.650 0.911 9.450 1.00 0.00 O ATOM 397 CB VAL A 24 3.857 3.912 10.590 1.00 0.00 C ATOM 398 CG1 VAL A 24 5.335 3.749 10.878 1.00 0.00 C ATOM 399 CG2 VAL A 24 3.538 5.349 10.211 1.00 0.00 C ATOM 0 H VAL A 24 1.459 3.627 9.813 1.00 0.00 H new ATOM 0 HA VAL A 24 3.987 3.194 8.579 1.00 0.00 H new ATOM 0 HB VAL A 24 3.304 3.667 11.497 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.629 4.438 11.670 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.533 2.725 11.195 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.908 3.967 9.976 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.857 6.016 11.012 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.063 5.608 9.292 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.464 5.455 10.057 1.00 0.00 H new ATOM 409 N ALA A 25 2.864 0.991 10.799 1.00 0.00 N ATOM 410 CA ALA A 25 3.032 -0.314 11.286 1.00 0.00 C ATOM 411 C ALA A 25 3.330 -1.227 10.124 1.00 0.00 C ATOM 412 O ALA A 25 4.274 -2.018 10.183 1.00 0.00 O ATOM 413 CB ALA A 25 1.807 -0.753 12.055 1.00 0.00 C ATOM 0 H ALA A 25 2.059 1.482 11.187 1.00 0.00 H new ATOM 0 HA ALA A 25 3.870 -0.353 11.983 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.954 -1.767 12.426 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.645 -0.079 12.896 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.937 -0.729 11.398 1.00 0.00 H new ATOM 419 N TYR A 26 2.551 -1.099 9.059 1.00 0.00 N ATOM 420 CA TYR A 26 2.786 -1.919 7.878 1.00 0.00 C ATOM 421 C TYR A 26 4.093 -1.492 7.240 1.00 0.00 C ATOM 422 O TYR A 26 4.949 -2.318 6.916 1.00 0.00 O ATOM 423 CB TYR A 26 1.642 -1.773 6.863 1.00 0.00 C ATOM 424 CG TYR A 26 1.663 -2.834 5.781 1.00 0.00 C ATOM 425 CD1 TYR A 26 1.841 -4.174 6.083 1.00 0.00 C ATOM 426 CD2 TYR A 26 1.497 -2.473 4.444 1.00 0.00 C ATOM 427 CE1 TYR A 26 1.865 -5.135 5.078 1.00 0.00 C ATOM 428 CE2 TYR A 26 1.513 -3.423 3.443 1.00 0.00 C ATOM 429 CZ TYR A 26 1.703 -4.754 3.768 1.00 0.00 C ATOM 430 OH TYR A 26 1.720 -5.696 2.768 1.00 0.00 O ATOM 0 H TYR A 26 1.767 -0.450 8.987 1.00 0.00 H new ATOM 0 HA TYR A 26 2.835 -2.965 8.180 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.689 -1.820 7.390 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.701 -0.789 6.398 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.963 -4.477 7.113 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.354 -1.434 4.188 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.010 -6.176 5.326 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.378 -3.129 2.413 1.00 0.00 H new ATOM 0 HH TYR A 26 1.590 -5.256 1.902 1.00 0.00 H new ATOM 440 N VAL A 27 4.267 -0.207 7.098 1.00 0.00 N ATOM 441 CA VAL A 27 5.484 0.300 6.530 1.00 0.00 C ATOM 442 C VAL A 27 6.709 -0.153 7.287 1.00 0.00 C ATOM 443 O VAL A 27 7.705 -0.509 6.689 1.00 0.00 O ATOM 444 CB VAL A 27 5.465 1.842 6.551 1.00 0.00 C ATOM 445 CG1 VAL A 27 6.806 2.427 6.123 1.00 0.00 C ATOM 446 CG2 VAL A 27 4.340 2.364 5.664 1.00 0.00 C ATOM 0 H VAL A 27 3.586 0.504 7.366 1.00 0.00 H new ATOM 0 HA VAL A 27 5.538 -0.087 5.513 1.00 0.00 H new ATOM 0 HB VAL A 27 5.284 2.163 7.577 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.754 3.515 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.586 2.084 6.803 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.039 2.100 5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.335 3.454 5.686 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.495 2.022 4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.384 1.990 6.031 1.00 0.00 H new ATOM 456 N ASN A 28 6.621 -0.161 8.622 1.00 0.00 N ATOM 457 CA ASN A 28 7.721 -0.617 9.444 1.00 0.00 C ATOM 458 C ASN A 28 7.981 -2.072 9.133 1.00 0.00 C ATOM 459 O ASN A 28 9.103 -2.487 8.863 1.00 0.00 O ATOM 460 CB ASN A 28 7.408 -0.450 10.929 1.00 0.00 C ATOM 461 CG ASN A 28 7.896 0.824 11.461 1.00 0.00 C ATOM 462 OD1 ASN A 28 8.211 1.726 10.697 1.00 0.00 O ATOM 463 ND2 ASN A 28 7.939 0.949 12.780 1.00 0.00 N ATOM 0 H ASN A 28 5.799 0.144 9.144 1.00 0.00 H new ATOM 0 HA ASN A 28 8.604 -0.017 9.223 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.331 -0.515 11.080 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.859 -1.271 11.487 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.245 1.827 13.199 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.666 0.167 13.376 1.00 0.00 H new ATOM 470 N CYS A 29 6.907 -2.858 9.144 1.00 0.00 N ATOM 471 CA CYS A 29 6.992 -4.276 8.834 1.00 0.00 C ATOM 472 C CYS A 29 7.588 -4.470 7.441 1.00 0.00 C ATOM 473 O CYS A 29 8.175 -5.504 7.143 1.00 0.00 O ATOM 474 CB CYS A 29 5.610 -4.921 8.907 1.00 0.00 C ATOM 475 SG CYS A 29 5.439 -6.153 10.231 1.00 0.00 S ATOM 0 H CYS A 29 5.966 -2.532 9.366 1.00 0.00 H new ATOM 0 HA CYS A 29 7.639 -4.756 9.568 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.863 -4.140 9.052 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.392 -5.397 7.951 1.00 0.00 H new ATOM 480 N VAL A 30 7.429 -3.455 6.591 1.00 0.00 N ATOM 481 CA VAL A 30 7.950 -3.519 5.227 1.00 0.00 C ATOM 482 C VAL A 30 9.468 -3.351 5.195 1.00 0.00 C ATOM 483 O VAL A 30 10.095 -3.604 4.166 1.00 0.00 O ATOM 484 CB VAL A 30 7.297 -2.464 4.318 1.00 0.00 C ATOM 485 CG1 VAL A 30 7.835 -2.562 2.891 1.00 0.00 C ATOM 486 CG2 VAL A 30 5.781 -2.615 4.321 1.00 0.00 C ATOM 0 H VAL A 30 6.948 -2.586 6.821 1.00 0.00 H new ATOM 0 HA VAL A 30 7.699 -4.510 4.848 1.00 0.00 H new ATOM 0 HB VAL A 30 7.550 -1.480 4.713 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.357 -1.805 2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.913 -2.399 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.620 -3.552 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.339 -1.859 3.672 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.513 -3.607 3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.405 -2.487 5.336 1.00 0.00 H new ATOM 496 N MET A 31 10.055 -2.924 6.308 1.00 0.00 N ATOM 497 CA MET A 31 11.495 -2.739 6.375 1.00 0.00 C ATOM 498 C MET A 31 11.953 -2.456 7.805 1.00 0.00 C ATOM 499 O MET A 31 12.685 -1.501 8.053 1.00 0.00 O ATOM 500 CB MET A 31 11.927 -1.597 5.450 1.00 0.00 C ATOM 501 CG MET A 31 12.340 -2.060 4.060 1.00 0.00 C ATOM 502 SD MET A 31 13.773 -1.179 3.428 1.00 0.00 S ATOM 503 CE MET A 31 14.912 -2.525 3.147 1.00 0.00 C ATOM 0 H MET A 31 9.557 -2.701 7.170 1.00 0.00 H new ATOM 0 HA MET A 31 11.966 -3.665 6.046 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.106 -0.886 5.358 1.00 0.00 H new ATOM 0 HB3 MET A 31 12.760 -1.065 5.909 1.00 0.00 H new ATOM 0 HG2 MET A 31 12.559 -3.127 4.088 1.00 0.00 H new ATOM 0 HG3 MET A 31 11.504 -1.924 3.374 1.00 0.00 H new ATOM 0 HE1 MET A 31 15.849 -2.132 2.753 1.00 0.00 H new ATOM 0 HE2 MET A 31 15.102 -3.043 4.087 1.00 0.00 H new ATOM 0 HE3 MET A 31 14.481 -3.222 2.429 1.00 0.00 H new ATOM 513 N GLU A 32 11.502 -3.286 8.748 1.00 0.00 N ATOM 514 CA GLU A 32 11.880 -3.094 10.141 1.00 0.00 C ATOM 515 C GLU A 32 12.904 -4.133 10.594 1.00 0.00 C ATOM 516 O GLU A 32 14.106 -3.885 10.551 1.00 0.00 O ATOM 517 CB GLU A 32 10.631 -3.131 11.040 1.00 0.00 C ATOM 518 CG GLU A 32 10.942 -3.125 12.525 1.00 0.00 C ATOM 519 CD GLU A 32 11.864 -1.983 12.923 1.00 0.00 C ATOM 520 OE1 GLU A 32 11.376 -0.846 13.013 1.00 0.00 O ATOM 521 OE2 GLU A 32 13.062 -2.241 13.153 1.00 0.00 O ATOM 0 H GLU A 32 10.887 -4.081 8.574 1.00 0.00 H new ATOM 0 HA GLU A 32 12.349 -2.114 10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.002 -2.272 10.807 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.052 -4.023 10.804 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.011 -3.049 13.087 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.404 -4.073 12.800 1.00 0.00 H new ATOM 528 N ARG A 33 12.422 -5.276 11.053 1.00 0.00 N ATOM 529 CA ARG A 33 13.279 -6.335 11.526 1.00 0.00 C ATOM 530 C ARG A 33 13.265 -7.521 10.576 1.00 0.00 C ATOM 531 O ARG A 33 13.549 -8.662 10.978 1.00 0.00 O ATOM 532 CB ARG A 33 12.824 -6.764 12.921 1.00 0.00 C ATOM 533 CG ARG A 33 11.522 -7.551 12.929 1.00 0.00 C ATOM 534 CD ARG A 33 10.453 -6.838 13.743 1.00 0.00 C ATOM 535 NE ARG A 33 10.465 -7.250 15.144 1.00 0.00 N ATOM 536 CZ ARG A 33 9.475 -7.001 15.999 1.00 0.00 C ATOM 537 NH1 ARG A 33 8.402 -6.341 15.602 1.00 0.00 N ATOM 538 NH2 ARG A 33 9.570 -7.415 17.262 1.00 0.00 N ATOM 0 H ARG A 33 11.426 -5.490 11.106 1.00 0.00 H new ATOM 0 HA ARG A 33 14.303 -5.964 11.572 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.607 -7.370 13.377 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.705 -5.877 13.543 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.172 -7.690 11.906 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.697 -8.544 13.344 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.608 -5.761 13.681 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.473 -7.044 13.313 1.00 0.00 H new ATOM 0 HE ARG A 33 11.280 -7.758 15.488 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.329 -6.020 14.637 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.646 -6.153 16.261 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.400 -7.921 17.572 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.813 -7.226 17.919 1.00 0.00 H new ATOM 552 N GLY A 34 12.906 -7.263 9.327 1.00 0.00 N ATOM 553 CA GLY A 34 12.841 -8.337 8.345 1.00 0.00 C ATOM 554 C GLY A 34 11.547 -9.101 8.458 1.00 0.00 C ATOM 555 O GLY A 34 10.807 -8.942 9.422 1.00 0.00 O ATOM 0 H GLY A 34 12.659 -6.339 8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.935 -7.922 7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.681 -9.016 8.489 1.00 0.00 H new ATOM 559 N LYS A 35 11.248 -9.931 7.454 1.00 0.00 N ATOM 560 CA LYS A 35 10.004 -10.699 7.458 1.00 0.00 C ATOM 561 C LYS A 35 8.820 -9.759 7.598 1.00 0.00 C ATOM 562 O LYS A 35 8.999 -8.563 7.800 1.00 0.00 O ATOM 563 CB LYS A 35 10.003 -11.727 8.604 1.00 0.00 C ATOM 564 CG LYS A 35 9.349 -13.046 8.236 1.00 0.00 C ATOM 565 CD LYS A 35 10.381 -14.081 7.818 1.00 0.00 C ATOM 566 CE LYS A 35 11.141 -14.625 9.014 1.00 0.00 C ATOM 567 NZ LYS A 35 11.486 -16.064 8.845 1.00 0.00 N ATOM 0 H LYS A 35 11.842 -10.086 6.640 1.00 0.00 H new ATOM 0 HA LYS A 35 9.924 -11.239 6.514 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.031 -11.915 8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.484 -11.301 9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.780 -13.421 9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.640 -12.888 7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.885 -14.900 7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.082 -13.633 7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.054 -14.047 9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.539 -14.499 9.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.004 -16.397 9.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.614 -16.619 8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.081 -16.181 8.000 1.00 0.00 H new ATOM 581 N CYS A 36 7.605 -10.294 7.477 1.00 0.00 N ATOM 582 CA CYS A 36 6.405 -9.475 7.564 1.00 0.00 C ATOM 583 C CYS A 36 6.299 -8.556 6.353 1.00 0.00 C ATOM 584 O CYS A 36 5.240 -8.463 5.728 1.00 0.00 O ATOM 585 CB CYS A 36 6.428 -8.659 8.860 1.00 0.00 C ATOM 586 SG CYS A 36 4.859 -7.831 9.252 1.00 0.00 S ATOM 0 H CYS A 36 7.430 -11.286 7.319 1.00 0.00 H new ATOM 0 HA CYS A 36 5.531 -10.126 7.573 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.693 -9.319 9.686 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.214 -7.907 8.788 1.00 0.00 H new ATOM 591 N SER A 37 7.408 -7.893 6.001 1.00 0.00 N ATOM 592 CA SER A 37 7.442 -7.006 4.854 1.00 0.00 C ATOM 593 C SER A 37 6.872 -7.707 3.624 1.00 0.00 C ATOM 594 O SER A 37 5.859 -7.280 3.065 1.00 0.00 O ATOM 595 CB SER A 37 8.889 -6.565 4.575 1.00 0.00 C ATOM 596 OG SER A 37 9.059 -6.172 3.225 1.00 0.00 O ATOM 0 H SER A 37 8.293 -7.962 6.504 1.00 0.00 H new ATOM 0 HA SER A 37 6.834 -6.129 5.074 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.151 -5.736 5.232 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.571 -7.383 4.806 1.00 0.00 H new ATOM 0 HG SER A 37 9.426 -5.264 3.192 1.00 0.00 H new ATOM 602 N PRO A 38 7.492 -8.822 3.195 1.00 0.00 N ATOM 603 CA PRO A 38 7.018 -9.587 2.044 1.00 0.00 C ATOM 604 C PRO A 38 5.699 -10.274 2.354 1.00 0.00 C ATOM 605 O PRO A 38 4.907 -10.552 1.455 1.00 0.00 O ATOM 606 CB PRO A 38 8.122 -10.629 1.820 1.00 0.00 C ATOM 607 CG PRO A 38 8.767 -10.786 3.159 1.00 0.00 C ATOM 608 CD PRO A 38 8.694 -9.424 3.807 1.00 0.00 C ATOM 0 HA PRO A 38 6.837 -8.960 1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.710 -11.574 1.465 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.839 -10.293 1.071 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.248 -11.534 3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.800 -11.118 3.060 1.00 0.00 H new ATOM 0 HD2 PRO A 38 8.600 -9.498 4.890 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.588 -8.833 3.604 1.00 0.00 H new ATOM 616 N GLU A 39 5.460 -10.532 3.637 1.00 0.00 N ATOM 617 CA GLU A 39 4.226 -11.175 4.072 1.00 0.00 C ATOM 618 C GLU A 39 3.011 -10.336 3.674 1.00 0.00 C ATOM 619 O GLU A 39 2.432 -10.557 2.610 1.00 0.00 O ATOM 620 CB GLU A 39 4.242 -11.416 5.578 1.00 0.00 C ATOM 621 CG GLU A 39 5.317 -12.389 6.030 1.00 0.00 C ATOM 622 CD GLU A 39 4.967 -13.832 5.707 1.00 0.00 C ATOM 623 OE1 GLU A 39 4.592 -14.101 4.545 1.00 0.00 O ATOM 624 OE2 GLU A 39 5.078 -14.685 6.609 1.00 0.00 O ATOM 0 H GLU A 39 6.106 -10.305 4.393 1.00 0.00 H new ATOM 0 HA GLU A 39 4.153 -12.142 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.389 -10.464 6.088 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.268 -11.796 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.261 -12.131 5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.467 -12.286 7.105 1.00 0.00 H new ATOM 631 N GLY A 40 2.631 -9.377 4.531 1.00 0.00 N ATOM 632 CA GLY A 40 1.471 -8.529 4.236 1.00 0.00 C ATOM 633 C GLY A 40 0.367 -9.293 3.532 1.00 0.00 C ATOM 634 O GLY A 40 -0.251 -8.772 2.644 1.00 0.00 O ATOM 0 H GLY A 40 3.099 -9.173 5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.085 -8.109 5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.785 -7.691 3.613 1.00 0.00 H new ATOM 638 N LYS A 41 0.218 -10.562 3.914 1.00 0.00 N ATOM 639 CA LYS A 41 -0.686 -11.459 3.317 1.00 0.00 C ATOM 640 C LYS A 41 -2.066 -10.830 3.204 1.00 0.00 C ATOM 641 O LYS A 41 -2.839 -11.222 2.346 1.00 0.00 O ATOM 642 CB LYS A 41 -0.760 -12.760 4.122 1.00 0.00 C ATOM 643 CG LYS A 41 -1.305 -12.576 5.535 1.00 0.00 C ATOM 644 CD LYS A 41 -0.206 -12.323 6.529 1.00 0.00 C ATOM 645 CE LYS A 41 -0.615 -12.661 7.945 1.00 0.00 C ATOM 646 NZ LYS A 41 -1.710 -11.768 8.417 1.00 0.00 N ATOM 0 H LYS A 41 0.756 -10.977 4.675 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.327 -11.690 2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.390 -13.472 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.236 -13.198 4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.006 -11.742 5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.863 -13.466 5.828 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.669 -12.914 6.256 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.089 -11.275 6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.943 -13.699 7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.246 -12.567 8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.924 -11.977 9.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.411 -10.776 8.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.560 -11.927 7.840 1.00 0.00 H new ATOM 660 N GLU A 42 -2.369 -9.875 4.066 1.00 0.00 N ATOM 661 CA GLU A 42 -3.673 -9.230 4.013 1.00 0.00 C ATOM 662 C GLU A 42 -3.784 -8.378 2.768 1.00 0.00 C ATOM 663 O GLU A 42 -4.610 -8.640 1.885 1.00 0.00 O ATOM 664 CB GLU A 42 -3.945 -8.386 5.267 1.00 0.00 C ATOM 665 CG GLU A 42 -2.766 -8.274 6.229 1.00 0.00 C ATOM 666 CD GLU A 42 -3.080 -7.422 7.442 1.00 0.00 C ATOM 667 OE1 GLU A 42 -3.962 -7.814 8.234 1.00 0.00 O ATOM 668 OE2 GLU A 42 -2.439 -6.361 7.604 1.00 0.00 O ATOM 0 H GLU A 42 -1.746 -9.533 4.797 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.429 -10.015 3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.239 -7.383 4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.792 -8.816 5.801 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.474 -9.272 6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.912 -7.848 5.702 1.00 0.00 H new ATOM 675 N LEU A 43 -2.939 -7.367 2.672 1.00 0.00 N ATOM 676 CA LEU A 43 -2.936 -6.498 1.510 1.00 0.00 C ATOM 677 C LEU A 43 -2.415 -7.242 0.285 1.00 0.00 C ATOM 678 O LEU A 43 -2.620 -6.809 -0.781 1.00 0.00 O ATOM 679 CB LEU A 43 -2.090 -5.258 1.777 1.00 0.00 C ATOM 680 CG LEU A 43 -2.277 -4.647 3.166 1.00 0.00 C ATOM 681 CD1 LEU A 43 -1.169 -5.100 4.108 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.335 -3.128 3.079 1.00 0.00 C ATOM 0 H LEU A 43 -2.248 -7.128 3.383 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.961 -6.185 1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.039 -5.516 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.328 -4.503 1.027 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.226 -4.998 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.322 -4.653 5.091 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.188 -6.186 4.196 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.204 -4.785 3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.468 -2.711 4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.406 -2.752 2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.172 -2.831 2.447 1.00 0.00 H new ATOM 694 N LYS A 44 -1.768 -8.391 0.510 1.00 0.00 N ATOM 695 CA LYS A 44 -1.254 -9.189 -0.527 1.00 0.00 C ATOM 696 C LYS A 44 -2.312 -10.171 -0.992 1.00 0.00 C ATOM 697 O LYS A 44 -2.415 -10.460 -2.169 1.00 0.00 O ATOM 698 CB LYS A 44 -0.025 -9.943 -0.120 1.00 0.00 C ATOM 699 CG LYS A 44 0.595 -10.711 -1.221 1.00 0.00 C ATOM 700 CD LYS A 44 0.037 -12.118 -1.342 1.00 0.00 C ATOM 701 CE LYS A 44 0.997 -13.042 -2.067 1.00 0.00 C ATOM 702 NZ LYS A 44 0.869 -14.451 -1.621 1.00 0.00 N ATOM 0 H LYS A 44 -1.602 -8.768 1.443 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.974 -8.516 -1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.707 -9.240 0.277 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.281 -10.627 0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.439 -10.181 -2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.672 -10.764 -1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.169 -12.515 -0.348 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.913 -12.088 -1.876 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.812 -12.985 -3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.019 -12.702 -1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.545 -15.044 -2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.071 -14.513 -0.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.099 -14.786 -1.803 1.00 0.00 H new ATOM 716 N GLU A 45 -3.127 -10.649 -0.087 1.00 0.00 N ATOM 717 CA GLU A 45 -4.204 -11.558 -0.409 1.00 0.00 C ATOM 718 C GLU A 45 -5.304 -10.765 -1.074 1.00 0.00 C ATOM 719 O GLU A 45 -5.956 -11.237 -1.991 1.00 0.00 O ATOM 720 CB GLU A 45 -4.730 -12.256 0.793 1.00 0.00 C ATOM 721 CG GLU A 45 -6.101 -12.888 0.612 1.00 0.00 C ATOM 722 CD GLU A 45 -6.189 -14.281 1.201 1.00 0.00 C ATOM 723 OE1 GLU A 45 -6.133 -14.404 2.446 1.00 0.00 O ATOM 724 OE2 GLU A 45 -6.310 -15.255 0.422 1.00 0.00 O ATOM 0 H GLU A 45 -3.063 -10.418 0.904 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.823 -12.331 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.023 -13.033 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.779 -11.544 1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.853 -12.253 1.080 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.338 -12.933 -0.451 1.00 0.00 H new ATOM 731 N HIS A 46 -5.498 -9.539 -0.592 1.00 0.00 N ATOM 732 CA HIS A 46 -6.504 -8.654 -1.131 1.00 0.00 C ATOM 733 C HIS A 46 -6.038 -8.059 -2.441 1.00 0.00 C ATOM 734 O HIS A 46 -6.786 -8.052 -3.419 1.00 0.00 O ATOM 735 CB HIS A 46 -6.823 -7.530 -0.168 1.00 0.00 C ATOM 736 CG HIS A 46 -7.852 -6.565 -0.650 1.00 0.00 C ATOM 737 ND1 HIS A 46 -9.203 -6.667 -0.713 1.00 0.00 N flip ATOM 738 CD2 HIS A 46 -7.534 -5.332 -1.160 1.00 0.00 C flip ATOM 739 CE1 HIS A 46 -9.666 -5.492 -1.254 1.00 0.00 C flip ATOM 740 NE2 HIS A 46 -8.642 -4.712 -1.511 1.00 0.00 N flip ATOM 0 H HIS A 46 -4.961 -9.142 0.179 1.00 0.00 H new ATOM 0 HA HIS A 46 -7.404 -9.247 -1.293 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.164 -7.963 0.773 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.905 -6.983 0.047 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -6.535 -4.933 -1.258 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.702 -5.250 -1.438 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.696 -3.778 -1.917 1.00 0.00 H new ATOM 749 N LEU A 47 -4.792 -7.550 -2.475 1.00 0.00 N ATOM 750 CA LEU A 47 -4.241 -6.941 -3.692 1.00 0.00 C ATOM 751 C LEU A 47 -2.986 -6.129 -3.395 1.00 0.00 C ATOM 752 O LEU A 47 -3.069 -5.009 -2.884 1.00 0.00 O ATOM 753 CB LEU A 47 -5.269 -6.020 -4.354 1.00 0.00 C ATOM 754 CG LEU A 47 -4.810 -5.391 -5.672 1.00 0.00 C ATOM 755 CD1 LEU A 47 -4.494 -6.480 -6.678 1.00 0.00 C ATOM 756 CD2 LEU A 47 -5.885 -4.453 -6.209 1.00 0.00 C ATOM 0 H LEU A 47 -4.155 -7.550 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.987 -7.760 -4.365 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.181 -6.588 -4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.525 -5.223 -3.656 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.906 -4.808 -5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.168 -6.027 -7.614 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.701 -7.117 -6.287 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.386 -7.080 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.547 -4.011 -7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.804 -5.014 -6.382 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.074 -3.662 -5.483 1.00 0.00 H new ATOM 768 N GLN A 48 -1.825 -6.672 -3.743 1.00 0.00 N ATOM 769 CA GLN A 48 -0.572 -5.960 -3.547 1.00 0.00 C ATOM 770 C GLN A 48 -0.371 -4.969 -4.690 1.00 0.00 C ATOM 771 O GLN A 48 0.591 -4.940 -5.327 1.00 0.00 O ATOM 772 CB GLN A 48 0.536 -6.919 -3.472 1.00 0.00 C ATOM 773 CG GLN A 48 1.686 -6.386 -2.653 1.00 0.00 C ATOM 774 CD GLN A 48 1.871 -7.138 -1.353 1.00 0.00 C ATOM 775 OE1 GLN A 48 2.245 -8.406 -1.456 1.00 0.00 O flip ATOM 776 NE2 GLN A 48 1.676 -6.584 -0.294 1.00 0.00 N flip ATOM 0 H GLN A 48 -1.727 -7.598 -4.160 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.601 -5.404 -2.610 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.180 -7.852 -3.034 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.884 -7.151 -4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.604 -6.448 -3.238 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.516 -5.331 -2.437 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.389 -5.605 -0.276 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.799 -7.096 0.580 1.00 0.00 H new ATOM 785 N ASP A 49 -1.404 -4.173 -4.952 1.00 0.00 N ATOM 786 CA ASP A 49 -1.374 -3.203 -6.035 1.00 0.00 C ATOM 787 C ASP A 49 -1.460 -3.901 -7.389 1.00 0.00 C ATOM 788 O ASP A 49 -1.099 -3.315 -8.412 1.00 0.00 O ATOM 789 CB ASP A 49 -0.107 -2.350 -5.957 1.00 0.00 C ATOM 790 CG ASP A 49 0.109 -1.865 -4.549 1.00 0.00 C ATOM 791 OD1 ASP A 49 -0.592 -1.037 -4.036 1.00 0.00 O ATOM 792 OD2 ASP A 49 1.108 -2.319 -3.961 1.00 0.00 O ATOM 0 H ASP A 49 -2.276 -4.184 -4.423 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.240 -2.550 -5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.753 -2.934 -6.284 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.191 -1.499 -6.633 1.00 0.00 H new ATOM 797 N ALA A 50 -1.928 -5.159 -7.395 1.00 0.00 N ATOM 798 CA ALA A 50 -2.048 -5.927 -8.638 1.00 0.00 C ATOM 799 C ALA A 50 -2.237 -7.402 -8.349 1.00 0.00 C ATOM 800 O ALA A 50 -2.947 -8.105 -9.087 1.00 0.00 O ATOM 801 CB ALA A 50 -0.816 -5.740 -9.510 1.00 0.00 C ATOM 0 H ALA A 50 -2.227 -5.660 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.924 -5.554 -9.169 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.928 -6.319 -10.427 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.703 -4.685 -9.759 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.067 -6.082 -8.970 1.00 0.00 H new ATOM 807 N ILE A 51 -1.600 -7.891 -7.297 1.00 0.00 N ATOM 808 CA ILE A 51 -1.679 -9.307 -6.923 1.00 0.00 C ATOM 809 C ILE A 51 -0.766 -10.143 -7.818 1.00 0.00 C ATOM 810 O ILE A 51 -0.005 -10.945 -7.342 1.00 0.00 O ATOM 811 CB ILE A 51 -3.140 -9.828 -6.968 1.00 0.00 C ATOM 812 CG1 ILE A 51 -3.500 -10.490 -5.632 1.00 0.00 C ATOM 813 CG2 ILE A 51 -3.366 -10.805 -8.116 1.00 0.00 C ATOM 814 CD1 ILE A 51 -2.626 -11.672 -5.282 1.00 0.00 C ATOM 0 H ILE A 51 -1.016 -7.328 -6.678 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.336 -9.405 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.790 -8.970 -7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.426 -9.747 -4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.539 -10.816 -5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.402 -11.143 -8.108 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.154 -10.309 -9.063 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.704 -11.663 -7.999 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.941 -12.087 -4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.718 -12.434 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -1.587 -11.349 -5.213 1.00 0.00 H new ATOM 940 N GLU A 60 -11.964 0.154 -8.850 1.00 0.00 N ATOM 941 CA GLU A 60 -13.074 0.546 -8.048 1.00 0.00 C ATOM 942 C GLU A 60 -12.762 0.291 -6.601 1.00 0.00 C ATOM 943 O GLU A 60 -12.168 -0.658 -6.255 1.00 0.00 O ATOM 944 CB GLU A 60 -14.360 -0.107 -8.463 1.00 0.00 C ATOM 945 CG GLU A 60 -15.617 0.425 -7.846 1.00 0.00 C ATOM 946 CD GLU A 60 -16.816 0.339 -8.764 1.00 0.00 C ATOM 947 OE1 GLU A 60 -16.913 1.152 -9.698 1.00 0.00 O ATOM 948 OE2 GLU A 60 -17.659 -0.499 -8.553 1.00 0.00 O ATOM 0 HA GLU A 60 -13.232 1.614 -8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.450 -0.022 -9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.291 -1.170 -8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.828 -0.129 -6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -15.461 1.465 -7.560 1.00 0.00 H new ATOM 955 N ASN A 61 -13.101 1.226 -5.777 1.00 0.00 N ATOM 956 CA ASN A 61 -12.838 1.142 -4.367 1.00 0.00 C ATOM 957 C ASN A 61 -11.377 0.819 -4.165 1.00 0.00 C ATOM 958 O ASN A 61 -10.564 1.698 -3.876 1.00 0.00 O ATOM 959 CB ASN A 61 -13.713 0.109 -3.719 1.00 0.00 C ATOM 960 CG ASN A 61 -15.147 0.557 -3.540 1.00 0.00 C ATOM 961 OD1 ASN A 61 -15.909 -0.126 -2.749 1.00 0.00 O flip ATOM 962 ND2 ASN A 61 -15.555 1.556 -4.099 1.00 0.00 N flip ATOM 0 H ASN A 61 -13.575 2.083 -6.061 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.066 2.098 -3.896 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.697 -0.799 -4.322 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.297 -0.148 -2.745 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.939 2.081 -4.719 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -16.514 1.869 -3.948 1.00 0.00 H new ATOM 969 N GLN A 62 -11.028 -0.368 -4.403 1.00 0.00 N ATOM 970 CA GLN A 62 -9.650 -0.786 -4.314 1.00 0.00 C ATOM 971 C GLN A 62 -8.800 0.133 -5.108 1.00 0.00 C ATOM 972 O GLN A 62 -7.675 0.437 -4.729 1.00 0.00 O ATOM 973 CB GLN A 62 -9.468 -2.213 -4.833 1.00 0.00 C ATOM 974 CG GLN A 62 -10.273 -2.518 -6.085 1.00 0.00 C ATOM 975 CD GLN A 62 -9.775 -3.741 -6.826 1.00 0.00 C ATOM 976 OE1 GLN A 62 -8.568 -3.970 -6.914 1.00 0.00 O ATOM 977 NE2 GLN A 62 -10.704 -4.526 -7.354 1.00 0.00 N ATOM 0 H GLN A 62 -11.676 -1.109 -4.671 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.356 -0.760 -3.265 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.412 -2.382 -5.042 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.754 -2.914 -4.049 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.318 -2.666 -5.811 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.237 -1.657 -6.752 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.691 -4.289 -7.251 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.432 -5.367 -7.863 1.00 0.00 H new ATOM 986 N GLU A 63 -9.382 0.603 -6.206 1.00 0.00 N ATOM 987 CA GLU A 63 -8.672 1.553 -7.028 1.00 0.00 C ATOM 988 C GLU A 63 -8.475 2.855 -6.271 1.00 0.00 C ATOM 989 O GLU A 63 -7.384 3.435 -6.260 1.00 0.00 O ATOM 990 CB GLU A 63 -9.454 1.815 -8.310 1.00 0.00 C ATOM 991 CG GLU A 63 -8.669 2.586 -9.362 1.00 0.00 C ATOM 992 CD GLU A 63 -7.697 1.708 -10.124 1.00 0.00 C ATOM 993 OE1 GLU A 63 -6.822 1.093 -9.480 1.00 0.00 O ATOM 994 OE2 GLU A 63 -7.811 1.640 -11.361 1.00 0.00 O ATOM 0 H GLU A 63 -10.314 0.347 -6.533 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.696 1.140 -7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.770 0.861 -8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.359 2.371 -8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.364 3.046 -10.064 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.121 3.395 -8.880 1.00 0.00 H new ATOM 1001 N LYS A 64 -9.544 3.311 -5.630 1.00 0.00 N ATOM 1002 CA LYS A 64 -9.507 4.541 -4.873 1.00 0.00 C ATOM 1003 C LYS A 64 -8.728 4.359 -3.584 1.00 0.00 C ATOM 1004 O LYS A 64 -7.703 4.987 -3.384 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.923 5.029 -4.564 1.00 0.00 C ATOM 1006 CG LYS A 64 -11.839 5.030 -5.781 1.00 0.00 C ATOM 1007 CD LYS A 64 -13.013 5.972 -5.590 1.00 0.00 C ATOM 1008 CE LYS A 64 -14.003 5.431 -4.572 1.00 0.00 C ATOM 1009 NZ LYS A 64 -15.411 5.759 -4.938 1.00 0.00 N ATOM 0 H LYS A 64 -10.448 2.840 -5.624 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.003 5.292 -5.481 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.358 4.395 -3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.871 6.039 -4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.273 5.326 -6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.207 4.020 -5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.649 6.946 -5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.518 6.124 -6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.890 4.350 -4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.777 5.846 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.056 5.373 -4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -15.525 6.792 -4.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.635 5.342 -5.864 1.00 0.00 H new ATOM 1023 N GLY A 65 -9.213 3.479 -2.714 1.00 0.00 N ATOM 1024 CA GLY A 65 -8.525 3.249 -1.468 1.00 0.00 C ATOM 1025 C GLY A 65 -7.052 2.994 -1.677 1.00 0.00 C ATOM 1026 O GLY A 65 -6.224 3.408 -0.866 1.00 0.00 O ATOM 0 H GLY A 65 -10.061 2.929 -2.851 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.655 4.113 -0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.972 2.396 -0.958 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.709 2.330 -2.777 1.00 0.00 N ATOM 1031 CA ALA A 66 -5.314 2.054 -3.062 1.00 0.00 C ATOM 1032 C ALA A 66 -4.576 3.324 -3.426 1.00 0.00 C ATOM 1033 O ALA A 66 -3.687 3.759 -2.686 1.00 0.00 O ATOM 1034 CB ALA A 66 -5.179 1.020 -4.169 1.00 0.00 C ATOM 0 H ALA A 66 -7.369 1.980 -3.472 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.863 1.645 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.123 0.831 -4.364 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.663 0.093 -3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.654 1.394 -5.076 1.00 0.00 H new ATOM 1040 N TYR A 67 -4.922 3.949 -4.551 1.00 0.00 N ATOM 1041 CA TYR A 67 -4.245 5.177 -4.943 1.00 0.00 C ATOM 1042 C TYR A 67 -4.315 6.187 -3.805 1.00 0.00 C ATOM 1043 O TYR A 67 -3.299 6.746 -3.390 1.00 0.00 O ATOM 1044 CB TYR A 67 -4.837 5.769 -6.226 1.00 0.00 C ATOM 1045 CG TYR A 67 -3.808 6.494 -7.072 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -2.799 7.257 -6.495 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -3.857 6.415 -8.467 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -1.870 7.926 -7.277 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -2.926 7.079 -9.243 1.00 0.00 C ATOM 1050 CZ TYR A 67 -1.936 7.832 -8.645 1.00 0.00 C ATOM 1051 OH TYR A 67 -1.012 8.494 -9.422 1.00 0.00 O ATOM 0 H TYR A 67 -5.650 3.632 -5.191 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.202 4.937 -5.151 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.286 4.970 -6.815 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.638 6.461 -5.965 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.738 7.330 -5.419 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.630 5.829 -8.943 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.097 8.519 -6.811 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.973 7.009 -10.320 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.198 8.323 -10.369 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.518 6.382 -3.279 1.00 0.00 N ATOM 1062 CA ARG A 68 -5.714 7.302 -2.168 1.00 0.00 C ATOM 1063 C ARG A 68 -4.754 6.968 -1.039 1.00 0.00 C ATOM 1064 O ARG A 68 -4.298 7.855 -0.320 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.154 7.233 -1.667 1.00 0.00 C ATOM 1066 CG ARG A 68 -7.693 8.570 -1.184 1.00 0.00 C ATOM 1067 CD ARG A 68 -8.787 8.394 -0.157 1.00 0.00 C ATOM 1068 NE ARG A 68 -9.976 7.752 -0.711 1.00 0.00 N ATOM 1069 CZ ARG A 68 -11.058 7.447 -0.044 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -11.108 7.713 1.219 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -12.097 6.867 -0.595 1.00 0.00 N ATOM 0 H ARG A 68 -6.367 5.918 -3.602 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.514 8.315 -2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.792 6.861 -2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.213 6.511 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.881 9.156 -0.754 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.078 9.135 -2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.409 7.797 0.673 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.060 9.368 0.249 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.961 7.522 -1.705 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.312 8.154 1.679 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.944 7.482 1.756 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.084 6.633 -1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.918 6.649 -0.031 1.00 0.00 H new ATOM 1085 N VAL A 69 -4.445 5.683 -0.884 1.00 0.00 N ATOM 1086 CA VAL A 69 -3.534 5.266 0.078 1.00 0.00 C ATOM 1087 C VAL A 69 -2.091 5.516 -0.240 1.00 0.00 C ATOM 1088 O VAL A 69 -1.237 5.759 0.544 1.00 0.00 O ATOM 1089 CB VAL A 69 -3.738 3.787 0.460 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -2.478 3.166 1.037 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -4.896 3.654 1.437 1.00 0.00 C ATOM 0 H VAL A 69 -4.843 4.929 -1.444 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.761 5.906 0.931 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.975 3.241 -0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.670 2.124 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.676 3.218 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.182 3.710 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.031 2.605 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.680 4.229 2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.808 4.033 0.975 1.00 0.00 H new ATOM 1101 N ILE A 70 -1.805 5.468 -1.528 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.455 5.712 -1.979 1.00 0.00 C ATOM 1103 C ILE A 70 -0.170 7.206 -2.028 1.00 0.00 C ATOM 1104 O ILE A 70 0.859 7.649 -1.729 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.139 5.073 -3.345 1.00 0.00 C ATOM 1106 CG1 ILE A 70 1.296 5.008 -3.541 1.00 0.00 C ATOM 1107 CG2 ILE A 70 -0.787 5.830 -4.499 1.00 0.00 C ATOM 1108 CD1 ILE A 70 1.852 3.605 -3.591 1.00 0.00 C ATOM 0 H ILE A 70 -2.479 5.266 -2.266 1.00 0.00 H new ATOM 0 HA ILE A 70 0.198 5.233 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.557 4.066 -3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.548 5.520 -4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.786 5.552 -2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -0.536 5.342 -5.441 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.869 5.834 -4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.420 6.856 -4.513 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.931 3.646 -3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.635 3.094 -2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.392 3.061 -4.416 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.185 7.980 -2.384 1.00 0.00 N ATOM 1121 CA GLU A 71 -1.052 9.421 -2.457 1.00 0.00 C ATOM 1122 C GLU A 71 -1.160 10.032 -1.062 1.00 0.00 C ATOM 1123 O GLU A 71 -0.562 11.065 -0.780 1.00 0.00 O ATOM 1124 CB GLU A 71 -2.118 10.029 -3.365 1.00 0.00 C ATOM 1125 CG GLU A 71 -3.543 9.795 -2.879 1.00 0.00 C ATOM 1126 CD GLU A 71 -4.571 10.056 -3.965 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -4.743 9.190 -4.844 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -5.207 11.133 -3.934 1.00 0.00 O ATOM 0 H GLU A 71 -2.111 7.629 -2.627 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.072 9.644 -2.878 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.943 11.102 -3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.012 9.611 -4.366 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.641 8.768 -2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.745 10.444 -2.027 1.00 0.00 H new ATOM 1135 N HIS A 72 -1.929 9.380 -0.198 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.086 9.866 1.077 1.00 0.00 C ATOM 1137 C HIS A 72 -0.867 9.504 1.901 1.00 0.00 C ATOM 1138 O HIS A 72 -0.339 10.336 2.641 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.357 9.287 1.705 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.648 9.819 3.072 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -2.837 9.997 4.142 1.00 0.00 N flip ATOM 1142 CD2 HIS A 72 -4.899 10.249 3.467 1.00 0.00 C flip ATOM 1143 CE1 HIS A 72 -3.599 10.525 5.149 1.00 0.00 C flip ATOM 1144 NE2 HIS A 72 -4.845 10.665 4.722 1.00 0.00 N flip ATOM 0 H HIS A 72 -2.434 8.517 -0.401 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.185 10.951 1.048 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.204 9.502 1.053 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.263 8.202 1.759 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.784 10.246 2.848 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.241 10.786 6.134 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.627 11.030 5.266 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.405 8.274 1.754 1.00 0.00 N ATOM 1154 CA LEU A 73 0.691 7.820 2.468 1.00 0.00 C ATOM 1155 C LEU A 73 1.932 8.482 1.882 1.00 0.00 C ATOM 1156 O LEU A 73 2.866 8.823 2.612 1.00 0.00 O ATOM 1157 CB LEU A 73 0.806 6.299 2.382 1.00 0.00 C ATOM 1158 CG LEU A 73 -0.185 5.526 3.162 1.00 0.00 C ATOM 1159 CD1 LEU A 73 0.000 4.028 3.043 1.00 0.00 C ATOM 1160 CD2 LEU A 73 -0.207 5.954 4.617 1.00 0.00 C ATOM 0 H LEU A 73 -0.810 7.585 1.120 1.00 0.00 H new ATOM 0 HA LEU A 73 0.583 8.077 3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.722 6.007 1.335 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.804 6.011 2.714 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.155 5.756 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.758 3.519 3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.099 3.731 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.991 3.754 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.947 5.364 5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.777 5.795 5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.467 7.011 4.682 1.00 0.00 H new ATOM 1172 N ILE A 74 1.917 8.676 0.559 1.00 0.00 N ATOM 1173 CA ILE A 74 3.027 9.316 -0.050 1.00 0.00 C ATOM 1174 C ILE A 74 3.418 10.605 0.584 1.00 0.00 C ATOM 1175 O ILE A 74 4.590 10.842 0.875 1.00 0.00 O ATOM 1176 CB ILE A 74 2.684 9.622 -1.527 1.00 0.00 C ATOM 1177 CG1 ILE A 74 3.279 8.556 -2.451 1.00 0.00 C ATOM 1178 CG2 ILE A 74 3.168 11.010 -1.951 1.00 0.00 C ATOM 1179 CD1 ILE A 74 2.523 8.388 -3.750 1.00 0.00 C ATOM 0 H ILE A 74 1.163 8.400 -0.071 1.00 0.00 H new ATOM 0 HA ILE A 74 3.863 8.626 0.062 1.00 0.00 H new ATOM 0 HB ILE A 74 1.598 9.607 -1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.313 8.817 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.298 7.601 -1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.906 11.183 -2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.693 11.767 -1.327 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.250 11.070 -1.833 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.002 7.617 -4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.495 8.096 -3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.526 9.331 -4.298 1.00 0.00 H new ATOM 1191 N LYS A 75 2.424 11.439 0.879 1.00 0.00 N ATOM 1192 CA LYS A 75 2.656 12.687 1.565 1.00 0.00 C ATOM 1193 C LYS A 75 2.702 12.461 3.071 1.00 0.00 C ATOM 1194 O LYS A 75 3.333 13.225 3.799 1.00 0.00 O ATOM 1195 CB LYS A 75 1.557 13.688 1.207 1.00 0.00 C ATOM 1196 CG LYS A 75 0.154 13.162 1.453 1.00 0.00 C ATOM 1197 CD LYS A 75 -0.714 14.274 1.842 1.00 0.00 C ATOM 1198 CE LYS A 75 -1.709 13.811 2.898 1.00 0.00 C ATOM 1199 NZ LYS A 75 -2.099 14.919 3.816 1.00 0.00 N ATOM 0 H LYS A 75 1.446 11.262 0.648 1.00 0.00 H new ATOM 0 HA LYS A 75 3.617 13.093 1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.702 14.598 1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.655 13.962 0.157 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.231 12.682 0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.169 12.405 2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.114 15.096 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.246 14.653 0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.599 13.414 2.409 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.272 12.997 3.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.777 14.564 4.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.254 15.282 4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.539 15.686 3.268 1.00 0.00 H new ATOM 1213 N ASN A 76 2.044 11.405 3.534 1.00 0.00 N ATOM 1214 CA ASN A 76 2.032 11.079 4.949 1.00 0.00 C ATOM 1215 C ASN A 76 3.452 11.031 5.486 1.00 0.00 C ATOM 1216 O ASN A 76 3.750 11.611 6.529 1.00 0.00 O ATOM 1217 CB ASN A 76 1.354 9.736 5.188 1.00 0.00 C ATOM 1218 CG ASN A 76 0.955 9.530 6.638 1.00 0.00 C ATOM 1219 OD1 ASN A 76 1.797 9.215 7.484 1.00 0.00 O ATOM 1220 ND2 ASN A 76 -0.245 9.702 6.930 1.00 0.00 N ATOM 0 H ASN A 76 1.513 10.762 2.948 1.00 0.00 H new ATOM 0 HA ASN A 76 1.471 11.854 5.471 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.467 9.664 4.558 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.027 8.935 4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.558 9.583 7.894 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.914 9.962 6.205 1.00 0.00 H new ATOM 1227 N GLU A 77 4.329 10.351 4.751 1.00 0.00 N ATOM 1228 CA GLU A 77 5.729 10.246 5.153 1.00 0.00 C ATOM 1229 C GLU A 77 6.588 9.676 4.031 1.00 0.00 C ATOM 1230 O GLU A 77 7.619 9.058 4.297 1.00 0.00 O ATOM 1231 CB GLU A 77 5.869 9.386 6.409 1.00 0.00 C ATOM 1232 CG GLU A 77 5.697 10.161 7.709 1.00 0.00 C ATOM 1233 CD GLU A 77 4.414 9.798 8.438 1.00 0.00 C ATOM 1234 OE1 GLU A 77 4.063 8.601 8.448 1.00 0.00 O ATOM 1235 OE2 GLU A 77 3.773 10.712 8.993 1.00 0.00 O ATOM 0 H GLU A 77 4.098 9.869 3.882 1.00 0.00 H new ATOM 0 HA GLU A 77 6.082 11.253 5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.130 8.586 6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.851 8.913 6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.549 9.965 8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.699 11.230 7.494 1.00 0.00 H new ATOM 1242 N ILE A 78 6.163 9.917 2.802 1.00 0.00 N ATOM 1243 CA ILE A 78 6.889 9.454 1.606 1.00 0.00 C ATOM 1244 C ILE A 78 7.686 8.202 1.885 1.00 0.00 C ATOM 1245 O ILE A 78 8.795 8.023 1.391 1.00 0.00 O ATOM 1246 CB ILE A 78 7.823 10.559 1.097 1.00 0.00 C ATOM 1247 CG1 ILE A 78 8.547 10.152 -0.110 1.00 0.00 C ATOM 1248 CG2 ILE A 78 8.828 10.939 2.169 1.00 0.00 C ATOM 1249 CD1 ILE A 78 7.745 9.233 -1.015 1.00 0.00 C ATOM 0 H ILE A 78 5.310 10.436 2.594 1.00 0.00 H new ATOM 0 HA ILE A 78 6.148 9.218 0.842 1.00 0.00 H new ATOM 0 HB ILE A 78 7.196 11.416 0.851 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.833 11.042 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.469 9.649 0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.483 11.724 1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.300 11.300 3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.424 10.066 2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.342 8.971 -1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.481 8.326 -0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.836 9.741 -1.336 1.00 0.00 H new ATOM 1261 N GLU A 79 7.097 7.316 2.670 1.00 0.00 N ATOM 1262 CA GLU A 79 7.735 6.075 3.003 1.00 0.00 C ATOM 1263 C GLU A 79 7.318 5.008 1.997 1.00 0.00 C ATOM 1264 O GLU A 79 7.876 3.911 1.950 1.00 0.00 O ATOM 1265 CB GLU A 79 7.364 5.647 4.423 1.00 0.00 C ATOM 1266 CG GLU A 79 5.893 5.289 4.589 1.00 0.00 C ATOM 1267 CD GLU A 79 5.446 5.321 6.032 1.00 0.00 C ATOM 1268 OE1 GLU A 79 6.315 5.245 6.928 1.00 0.00 O ATOM 1269 OE2 GLU A 79 4.225 5.431 6.273 1.00 0.00 O ATOM 0 H GLU A 79 6.174 7.443 3.085 1.00 0.00 H new ATOM 0 HA GLU A 79 8.817 6.204 2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.972 4.787 4.705 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.613 6.453 5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.286 5.984 4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.717 4.294 4.180 1.00 0.00 H new ATOM 1276 N ILE A 80 6.320 5.360 1.187 1.00 0.00 N ATOM 1277 CA ILE A 80 5.794 4.468 0.169 1.00 0.00 C ATOM 1278 C ILE A 80 6.895 3.857 -0.583 1.00 0.00 C ATOM 1279 O ILE A 80 7.093 2.647 -0.574 1.00 0.00 O ATOM 1280 CB ILE A 80 4.822 5.212 -0.688 1.00 0.00 C ATOM 1281 CG1 ILE A 80 3.731 5.880 0.038 1.00 0.00 C ATOM 1282 CG2 ILE A 80 4.200 4.245 -1.686 1.00 0.00 C ATOM 1283 CD1 ILE A 80 3.036 4.901 0.931 1.00 0.00 C ATOM 0 H ILE A 80 5.859 6.269 1.222 1.00 0.00 H new ATOM 0 HA ILE A 80 5.246 3.644 0.625 1.00 0.00 H new ATOM 0 HB ILE A 80 5.403 6.001 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.128 6.705 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.020 6.307 -0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.489 4.780 -2.316 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.982 3.812 -2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.683 3.450 -1.149 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.230 5.404 1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.623 4.090 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.748 4.494 1.649 1.00 0.00 H new ATOM 1295 N TRP A 81 7.604 4.700 -1.306 1.00 0.00 N ATOM 1296 CA TRP A 81 8.678 4.226 -2.174 1.00 0.00 C ATOM 1297 C TRP A 81 9.588 3.255 -1.427 1.00 0.00 C ATOM 1298 O TRP A 81 10.054 2.260 -1.992 1.00 0.00 O ATOM 1299 CB TRP A 81 9.455 5.404 -2.728 1.00 0.00 C ATOM 1300 CG TRP A 81 8.613 6.341 -3.553 1.00 0.00 C ATOM 1301 CD1 TRP A 81 9.011 7.529 -4.080 1.00 0.00 C ATOM 1302 CD2 TRP A 81 7.236 6.168 -3.943 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.974 8.116 -4.772 1.00 0.00 N ATOM 1304 CE2 TRP A 81 6.878 7.295 -4.710 1.00 0.00 C ATOM 1305 CE3 TRP A 81 6.265 5.171 -3.730 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 5.612 7.455 -5.258 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 5.005 5.341 -4.281 1.00 0.00 C ATOM 1308 CH2 TRP A 81 4.690 6.471 -5.037 1.00 0.00 C ATOM 0 H TRP A 81 7.463 5.710 -1.315 1.00 0.00 H new ATOM 0 HA TRP A 81 8.242 3.683 -3.013 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.898 5.959 -1.901 1.00 0.00 H new ATOM 0 HB3 TRP A 81 10.277 5.032 -3.340 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.999 7.952 -3.972 1.00 0.00 H new ATOM 0 HE1 TRP A 81 8.015 9.015 -5.252 1.00 0.00 H new ATOM 0 HE3 TRP A 81 6.498 4.291 -3.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.364 8.330 -5.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 4.252 4.584 -4.122 1.00 0.00 H new ATOM 0 HH2 TRP A 81 3.699 6.570 -5.455 1.00 0.00 H new ATOM 1319 N ARG A 82 9.824 3.533 -0.156 1.00 0.00 N ATOM 1320 CA ARG A 82 10.657 2.666 0.591 1.00 0.00 C ATOM 1321 C ARG A 82 9.979 1.310 0.754 1.00 0.00 C ATOM 1322 O ARG A 82 10.633 0.263 0.711 1.00 0.00 O ATOM 1323 CB ARG A 82 10.906 3.307 1.961 1.00 0.00 C ATOM 1324 CG ARG A 82 12.367 3.329 2.364 1.00 0.00 C ATOM 1325 CD ARG A 82 12.700 2.212 3.335 1.00 0.00 C ATOM 1326 NE ARG A 82 14.120 2.151 3.639 1.00 0.00 N ATOM 1327 CZ ARG A 82 14.632 1.530 4.701 1.00 0.00 C ATOM 1328 NH1 ARG A 82 13.831 0.903 5.559 1.00 0.00 N ATOM 1329 NH2 ARG A 82 15.936 1.527 4.906 1.00 0.00 N ATOM 0 H ARG A 82 9.452 4.336 0.352 1.00 0.00 H new ATOM 0 HA ARG A 82 11.605 2.512 0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 82 10.525 4.328 1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.338 2.764 2.716 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.991 3.236 1.475 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.604 4.290 2.820 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.139 2.357 4.258 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.380 1.259 2.913 1.00 0.00 H new ATOM 0 HE ARG A 82 14.766 2.613 2.999 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.823 0.897 5.404 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.225 0.428 6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.556 2.001 4.250 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.323 1.050 5.720 1.00 0.00 H new ATOM 1343 N GLU A 83 8.663 1.338 0.932 1.00 0.00 N ATOM 1344 CA GLU A 83 7.886 0.115 1.095 1.00 0.00 C ATOM 1345 C GLU A 83 7.612 -0.450 -0.203 1.00 0.00 C ATOM 1346 O GLU A 83 7.317 -1.644 -0.278 1.00 0.00 O ATOM 1347 CB GLU A 83 6.566 0.410 1.815 1.00 0.00 C ATOM 1348 CG GLU A 83 6.698 1.338 3.014 1.00 0.00 C ATOM 1349 CD GLU A 83 8.070 1.272 3.673 1.00 0.00 C ATOM 1350 OE1 GLU A 83 8.611 0.157 3.809 1.00 0.00 O ATOM 1351 OE2 GLU A 83 8.594 2.338 4.049 1.00 0.00 O ATOM 0 H GLU A 83 8.111 2.195 0.967 1.00 0.00 H new ATOM 0 HA GLU A 83 8.459 -0.592 1.694 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.869 0.853 1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.128 -0.532 2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.503 2.362 2.696 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.936 1.082 3.750 1.00 0.00 H new ATOM 1358 N LEU A 84 7.716 0.259 -1.239 1.00 0.00 N ATOM 1359 CA LEU A 84 7.499 -0.157 -2.589 1.00 0.00 C ATOM 1360 C LEU A 84 8.717 -0.916 -3.069 1.00 0.00 C ATOM 1361 O LEU A 84 8.605 -1.881 -3.830 1.00 0.00 O ATOM 1362 CB LEU A 84 7.169 0.922 -3.536 1.00 0.00 C ATOM 1363 CG LEU A 84 5.713 1.417 -3.491 1.00 0.00 C ATOM 1364 CD1 LEU A 84 4.934 0.880 -4.677 1.00 0.00 C ATOM 1365 CD2 LEU A 84 5.030 1.025 -2.184 1.00 0.00 C ATOM 0 H LEU A 84 7.979 1.243 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 84 6.611 -0.789 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.829 1.768 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.386 0.575 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 84 5.730 2.506 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.906 1.240 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.397 1.224 -5.602 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.939 -0.210 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.003 1.391 -2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.028 -0.061 -2.086 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.570 1.465 -1.345 1.00 0.00 H new ATOM 1377 N THR A 85 9.891 -0.499 -2.611 1.00 0.00 N ATOM 1378 CA THR A 85 11.125 -1.175 -2.990 1.00 0.00 C ATOM 1379 C THR A 85 11.243 -2.491 -2.236 1.00 0.00 C ATOM 1380 O THR A 85 11.776 -3.473 -2.745 1.00 0.00 O ATOM 1381 CB THR A 85 12.340 -0.288 -2.700 1.00 0.00 C ATOM 1382 OG1 THR A 85 13.518 -0.864 -3.210 1.00 0.00 O ATOM 1383 CG2 THR A 85 12.558 -0.027 -1.225 1.00 0.00 C ATOM 0 H THR A 85 10.014 0.295 -1.983 1.00 0.00 H new ATOM 0 HA THR A 85 11.098 -1.377 -4.061 1.00 0.00 H new ATOM 0 HB THR A 85 12.121 0.660 -3.191 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.280 -0.279 -3.014 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.435 0.607 -1.093 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.683 0.473 -0.811 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.714 -0.973 -0.707 1.00 0.00 H new ATOM 1391 N ALA A 86 10.717 -2.508 -1.002 1.00 0.00 N ATOM 1392 CA ALA A 86 10.743 -3.705 -0.204 1.00 0.00 C ATOM 1393 C ALA A 86 9.525 -4.581 -0.467 1.00 0.00 C ATOM 1394 O ALA A 86 9.586 -5.807 -0.385 1.00 0.00 O ATOM 1395 CB ALA A 86 10.799 -3.324 1.213 1.00 0.00 C ATOM 0 H ALA A 86 10.276 -1.705 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 86 11.624 -4.288 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.819 -4.222 1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.699 -2.737 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 86 9.921 -2.730 1.465 1.00 0.00 H new ATOM 1401 N LYS A 87 8.410 -3.938 -0.814 1.00 0.00 N ATOM 1402 CA LYS A 87 7.172 -4.643 -1.122 1.00 0.00 C ATOM 1403 C LYS A 87 6.671 -4.200 -2.487 1.00 0.00 C ATOM 1404 O LYS A 87 6.815 -3.037 -2.861 1.00 0.00 O ATOM 1405 CB LYS A 87 6.117 -4.370 -0.080 1.00 0.00 C ATOM 1406 CG LYS A 87 5.598 -5.635 0.546 1.00 0.00 C ATOM 1407 CD LYS A 87 5.034 -6.615 -0.411 1.00 0.00 C ATOM 1408 CE LYS A 87 4.568 -7.904 0.204 1.00 0.00 C ATOM 1409 NZ LYS A 87 4.751 -9.090 -0.626 1.00 0.00 N ATOM 0 H LYS A 87 8.342 -2.923 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 87 7.374 -5.714 -1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.532 -3.726 0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.290 -3.826 -0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.410 -6.111 1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 87 4.829 -5.375 1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.194 -6.152 -0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.789 -6.841 -1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.099 -8.052 1.144 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.510 -7.810 0.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.898 -9.920 -0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.905 -9.237 -1.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.580 -8.960 -1.240 1.00 0.00 H new ATOM 1423 N TYR A 88 6.106 -5.134 -3.239 1.00 0.00 N ATOM 1424 CA TYR A 88 5.612 -4.837 -4.584 1.00 0.00 C ATOM 1425 C TYR A 88 6.773 -4.722 -5.570 1.00 0.00 C ATOM 1426 O TYR A 88 6.561 -4.490 -6.761 1.00 0.00 O ATOM 1427 CB TYR A 88 4.773 -3.547 -4.616 1.00 0.00 C ATOM 1428 CG TYR A 88 4.037 -3.212 -3.330 1.00 0.00 C ATOM 1429 CD1 TYR A 88 3.672 -4.197 -2.422 1.00 0.00 C ATOM 1430 CD2 TYR A 88 3.699 -1.899 -3.039 1.00 0.00 C ATOM 1431 CE1 TYR A 88 2.995 -3.875 -1.255 1.00 0.00 C ATOM 1432 CE2 TYR A 88 3.024 -1.569 -1.879 1.00 0.00 C ATOM 1433 CZ TYR A 88 2.677 -2.563 -0.995 1.00 0.00 C ATOM 1434 OH TYR A 88 2.006 -2.242 0.082 1.00 0.00 O ATOM 0 H TYR A 88 5.977 -6.102 -2.945 1.00 0.00 H new ATOM 0 HA TYR A 88 4.968 -5.665 -4.879 1.00 0.00 H new ATOM 0 HB2 TYR A 88 5.430 -2.714 -4.866 1.00 0.00 H new ATOM 0 HB3 TYR A 88 4.043 -3.629 -5.421 1.00 0.00 H new ATOM 0 HD1 TYR A 88 3.919 -5.228 -2.627 1.00 0.00 H new ATOM 0 HD2 TYR A 88 3.969 -1.117 -3.734 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.719 -4.650 -0.555 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.772 -0.540 -1.669 1.00 0.00 H new ATOM 0 HH TYR A 88 1.871 -1.272 0.106 1.00 0.00 H new ATOM 1444 N ASP A 89 7.999 -4.894 -5.083 1.00 0.00 N ATOM 1445 CA ASP A 89 9.180 -4.816 -5.935 1.00 0.00 C ATOM 1446 C ASP A 89 9.082 -5.806 -7.092 1.00 0.00 C ATOM 1447 O ASP A 89 9.228 -5.431 -8.252 1.00 0.00 O ATOM 1448 CB ASP A 89 10.439 -5.087 -5.121 1.00 0.00 C ATOM 1449 CG ASP A 89 11.632 -4.292 -5.617 1.00 0.00 C ATOM 1450 OD1 ASP A 89 11.482 -3.066 -5.821 1.00 0.00 O ATOM 1451 OD2 ASP A 89 12.718 -4.879 -5.786 1.00 0.00 O ATOM 0 H ASP A 89 8.200 -5.088 -4.102 1.00 0.00 H new ATOM 0 HA ASP A 89 9.235 -3.809 -6.347 1.00 0.00 H new ATOM 0 HB2 ASP A 89 10.252 -4.842 -4.076 1.00 0.00 H new ATOM 0 HB3 ASP A 89 10.673 -6.151 -5.162 1.00 0.00 H new ATOM 1456 N PRO A 90 8.834 -7.100 -6.795 1.00 0.00 N ATOM 1457 CA PRO A 90 8.722 -8.146 -7.809 1.00 0.00 C ATOM 1458 C PRO A 90 7.929 -7.685 -9.036 1.00 0.00 C ATOM 1459 O PRO A 90 8.331 -7.932 -10.169 1.00 0.00 O ATOM 1460 CB PRO A 90 7.987 -9.295 -7.090 1.00 0.00 C ATOM 1461 CG PRO A 90 7.705 -8.806 -5.701 1.00 0.00 C ATOM 1462 CD PRO A 90 8.649 -7.662 -5.452 1.00 0.00 C ATOM 0 HA PRO A 90 9.700 -8.436 -8.192 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.063 -9.550 -7.608 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.600 -10.196 -7.069 1.00 0.00 H new ATOM 0 HG2 PRO A 90 6.669 -8.482 -5.607 1.00 0.00 H new ATOM 0 HG3 PRO A 90 7.858 -9.601 -4.971 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.227 -6.932 -4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 90 9.591 -8.001 -5.021 1.00 0.00 H new ATOM 1470 N THR A 91 6.802 -7.013 -8.804 1.00 0.00 N ATOM 1471 CA THR A 91 5.979 -6.528 -9.902 1.00 0.00 C ATOM 1472 C THR A 91 6.507 -5.192 -10.419 1.00 0.00 C ATOM 1473 O THR A 91 6.727 -5.026 -11.607 1.00 0.00 O ATOM 1474 CB THR A 91 4.516 -6.406 -9.458 1.00 0.00 C ATOM 1475 OG1 THR A 91 3.663 -6.294 -10.594 1.00 0.00 O ATOM 1476 CG2 THR A 91 4.235 -5.220 -8.559 1.00 0.00 C ATOM 0 H THR A 91 6.444 -6.796 -7.874 1.00 0.00 H new ATOM 0 HA THR A 91 6.028 -7.248 -10.719 1.00 0.00 H new ATOM 0 HB THR A 91 4.319 -7.313 -8.886 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.295 -5.387 -10.639 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.178 -5.208 -8.292 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.837 -5.299 -7.654 1.00 0.00 H new ATOM 0 HG23 THR A 91 4.487 -4.298 -9.083 1.00 0.00 H new ATOM 1484 N GLY A 92 6.724 -4.260 -9.487 1.00 0.00 N ATOM 1485 CA GLY A 92 7.246 -2.942 -9.840 1.00 0.00 C ATOM 1486 C GLY A 92 6.706 -2.397 -11.144 1.00 0.00 C ATOM 1487 O GLY A 92 7.409 -1.678 -11.847 1.00 0.00 O ATOM 0 H GLY A 92 6.547 -4.394 -8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.009 -2.242 -9.039 1.00 0.00 H new ATOM 0 HA3 GLY A 92 8.333 -2.998 -9.903 1.00 0.00 H new ATOM 1491 N ASN A 93 5.463 -2.737 -11.470 1.00 0.00 N ATOM 1492 CA ASN A 93 4.840 -2.272 -12.705 1.00 0.00 C ATOM 1493 C ASN A 93 3.635 -1.386 -12.416 1.00 0.00 C ATOM 1494 O ASN A 93 2.893 -1.018 -13.316 1.00 0.00 O ATOM 1495 CB ASN A 93 4.425 -3.463 -13.575 1.00 0.00 C ATOM 1496 CG ASN A 93 4.743 -3.243 -15.039 1.00 0.00 C ATOM 1497 OD1 ASN A 93 5.757 -2.637 -15.388 1.00 0.00 O ATOM 1498 ND2 ASN A 93 3.867 -3.735 -15.917 1.00 0.00 N ATOM 0 H ASN A 93 4.867 -3.333 -10.896 1.00 0.00 H new ATOM 0 HA ASN A 93 5.575 -1.677 -13.247 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.935 -4.361 -13.226 1.00 0.00 H new ATOM 0 HB3 ASN A 93 3.355 -3.639 -13.460 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.026 -3.615 -16.917 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.039 -4.231 -15.588 1.00 0.00 H new ATOM 1505 N TRP A 94 3.452 -1.051 -11.143 1.00 0.00 N ATOM 1506 CA TRP A 94 2.339 -0.221 -10.717 1.00 0.00 C ATOM 1507 C TRP A 94 2.856 0.912 -9.953 1.00 0.00 C ATOM 1508 O TRP A 94 2.284 1.997 -10.026 1.00 0.00 O ATOM 1509 CB TRP A 94 1.374 -1.036 -9.857 1.00 0.00 C ATOM 1510 CG TRP A 94 1.419 -2.504 -10.178 1.00 0.00 C ATOM 1511 CD1 TRP A 94 1.759 -3.520 -9.327 1.00 0.00 C ATOM 1512 CD2 TRP A 94 1.143 -3.109 -11.441 1.00 0.00 C ATOM 1513 NE1 TRP A 94 1.704 -4.717 -9.999 1.00 0.00 N ATOM 1514 CE2 TRP A 94 1.329 -4.494 -11.287 1.00 0.00 C ATOM 1515 CE3 TRP A 94 0.751 -2.610 -12.682 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 1.132 -5.388 -12.337 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 0.561 -3.501 -13.723 1.00 0.00 C ATOM 1518 CH2 TRP A 94 0.756 -4.877 -13.547 1.00 0.00 C ATOM 0 H TRP A 94 4.068 -1.346 -10.385 1.00 0.00 H new ATOM 0 HA TRP A 94 1.800 0.143 -11.592 1.00 0.00 H new ATOM 0 HB2 TRP A 94 1.617 -0.890 -8.805 1.00 0.00 H new ATOM 0 HB3 TRP A 94 0.359 -0.666 -10.004 1.00 0.00 H new ATOM 0 HD1 TRP A 94 2.029 -3.400 -8.288 1.00 0.00 H new ATOM 0 HE1 TRP A 94 1.912 -5.630 -9.595 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.599 -1.551 -12.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 1.272 -6.450 -12.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 0.256 -3.129 -14.690 1.00 0.00 H new ATOM 0 HH2 TRP A 94 0.607 -5.545 -14.382 1.00 0.00 H new ATOM 1529 N ARG A 95 3.970 0.723 -9.240 1.00 0.00 N ATOM 1530 CA ARG A 95 4.582 1.791 -8.490 1.00 0.00 C ATOM 1531 C ARG A 95 4.918 2.953 -9.404 1.00 0.00 C ATOM 1532 O ARG A 95 4.957 4.106 -8.973 1.00 0.00 O ATOM 1533 CB ARG A 95 5.849 1.288 -7.783 1.00 0.00 C ATOM 1534 CG ARG A 95 6.622 2.378 -7.065 1.00 0.00 C ATOM 1535 CD ARG A 95 7.774 2.892 -7.913 1.00 0.00 C ATOM 1536 NE ARG A 95 8.749 1.832 -8.209 1.00 0.00 N ATOM 1537 CZ ARG A 95 9.993 2.071 -8.611 1.00 0.00 C ATOM 1538 NH1 ARG A 95 10.428 3.311 -8.767 1.00 0.00 N ATOM 1539 NH2 ARG A 95 10.809 1.049 -8.862 1.00 0.00 N ATOM 0 H ARG A 95 4.459 -0.170 -9.175 1.00 0.00 H new ATOM 0 HA ARG A 95 3.874 2.135 -7.736 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.571 0.518 -7.063 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.501 0.817 -8.518 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.951 3.202 -6.822 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.007 1.992 -6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.385 3.299 -8.846 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.273 3.709 -7.392 1.00 0.00 H new ATOM 0 HE ARG A 95 8.455 0.861 -8.100 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.806 4.097 -8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 95 11.385 3.481 -9.076 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.478 0.091 -8.745 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.765 1.224 -9.171 1.00 0.00 H new ATOM 1553 N LYS A 96 5.156 2.648 -10.685 1.00 0.00 N ATOM 1554 CA LYS A 96 5.476 3.681 -11.658 1.00 0.00 C ATOM 1555 C LYS A 96 4.326 4.669 -11.778 1.00 0.00 C ATOM 1556 O LYS A 96 4.536 5.860 -11.977 1.00 0.00 O ATOM 1557 CB LYS A 96 5.784 3.055 -13.024 1.00 0.00 C ATOM 1558 CG LYS A 96 4.651 2.218 -13.578 1.00 0.00 C ATOM 1559 CD LYS A 96 3.789 3.024 -14.537 1.00 0.00 C ATOM 1560 CE LYS A 96 2.507 2.275 -14.896 1.00 0.00 C ATOM 1561 NZ LYS A 96 2.099 2.514 -16.303 1.00 0.00 N ATOM 0 H LYS A 96 5.132 1.701 -11.063 1.00 0.00 H new ATOM 0 HA LYS A 96 6.361 4.216 -11.315 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.018 3.849 -13.733 1.00 0.00 H new ATOM 0 HB3 LYS A 96 6.675 2.433 -12.936 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.057 1.348 -14.094 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.037 1.845 -12.759 1.00 0.00 H new ATOM 0 HD2 LYS A 96 3.537 3.983 -14.084 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.354 3.238 -15.444 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.655 1.207 -14.738 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.705 2.588 -14.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.225 1.988 -16.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.933 3.530 -16.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.853 2.192 -16.943 1.00 0.00 H new ATOM 1575 N LYS A 97 3.104 4.157 -11.644 1.00 0.00 N ATOM 1576 CA LYS A 97 1.921 5.006 -11.721 1.00 0.00 C ATOM 1577 C LYS A 97 1.897 5.951 -10.531 1.00 0.00 C ATOM 1578 O LYS A 97 1.846 7.170 -10.693 1.00 0.00 O ATOM 1579 CB LYS A 97 0.650 4.148 -11.753 1.00 0.00 C ATOM 1580 CG LYS A 97 -0.515 4.863 -11.259 1.00 0.00 C ATOM 1581 CD LYS A 97 -1.735 4.471 -12.075 1.00 0.00 C ATOM 1582 CE LYS A 97 -2.091 5.549 -13.091 1.00 0.00 C ATOM 1583 NZ LYS A 97 -3.211 6.410 -12.623 1.00 0.00 N ATOM 0 H LYS A 97 2.910 3.169 -11.483 1.00 0.00 H new ATOM 0 HA LYS A 97 1.958 5.592 -12.639 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.464 3.818 -12.775 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.805 3.252 -11.152 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.678 4.630 -10.207 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.350 5.938 -11.326 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.543 3.531 -12.592 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.581 4.302 -11.409 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.215 6.168 -13.285 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.365 5.080 -14.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.864 6.589 -13.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.720 5.930 -11.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.832 7.314 -12.275 1.00 0.00 H new ATOM 1597 N TYR A 98 1.951 5.378 -9.336 1.00 0.00 N ATOM 1598 CA TYR A 98 1.957 6.163 -8.118 1.00 0.00 C ATOM 1599 C TYR A 98 3.214 7.027 -8.046 1.00 0.00 C ATOM 1600 O TYR A 98 3.219 8.082 -7.414 1.00 0.00 O ATOM 1601 CB TYR A 98 1.882 5.256 -6.903 1.00 0.00 C ATOM 1602 CG TYR A 98 0.626 4.423 -6.814 1.00 0.00 C ATOM 1603 CD1 TYR A 98 -0.504 4.892 -7.286 1.00 0.00 C ATOM 1604 CD2 TYR A 98 0.664 3.166 -6.225 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -1.652 4.126 -7.174 1.00 0.00 C ATOM 1606 CE2 TYR A 98 -0.395 2.399 -6.112 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.587 2.883 -6.586 1.00 0.00 C ATOM 1608 OH TYR A 98 -2.735 2.120 -6.473 1.00 0.00 O ATOM 0 H TYR A 98 1.991 4.370 -9.188 1.00 0.00 H new ATOM 0 HA TYR A 98 1.083 6.814 -8.126 1.00 0.00 H new ATOM 0 HB2 TYR A 98 2.744 4.589 -6.911 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.960 5.868 -6.004 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.539 5.864 -7.756 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.607 2.803 -5.843 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -2.594 4.502 -7.546 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.330 1.420 -5.661 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.521 1.269 -6.036 1.00 0.00 H new ATOM 1618 N GLU A 99 4.281 6.571 -8.708 1.00 0.00 N ATOM 1619 CA GLU A 99 5.534 7.302 -8.722 1.00 0.00 C ATOM 1620 C GLU A 99 5.435 8.509 -9.653 1.00 0.00 C ATOM 1621 O GLU A 99 6.014 9.561 -9.390 1.00 0.00 O ATOM 1622 CB GLU A 99 6.675 6.378 -9.149 1.00 0.00 C ATOM 1623 CG GLU A 99 7.944 7.114 -9.549 1.00 0.00 C ATOM 1624 CD GLU A 99 9.198 6.470 -8.974 1.00 0.00 C ATOM 1625 OE1 GLU A 99 9.538 6.775 -7.819 1.00 0.00 O ATOM 1626 OE2 GLU A 99 9.829 5.669 -9.694 1.00 0.00 O ATOM 0 H GLU A 99 4.294 5.700 -9.238 1.00 0.00 H new ATOM 0 HA GLU A 99 5.743 7.666 -7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.904 5.697 -8.330 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.341 5.767 -9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.018 7.139 -10.636 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.883 8.148 -9.210 1.00 0.00 H new ATOM 1633 N ASP A 100 4.678 8.350 -10.742 1.00 0.00 N ATOM 1634 CA ASP A 100 4.498 9.430 -11.694 1.00 0.00 C ATOM 1635 C ASP A 100 3.842 10.623 -11.013 1.00 0.00 C ATOM 1636 O ASP A 100 4.163 11.776 -11.302 1.00 0.00 O ATOM 1637 CB ASP A 100 3.650 8.961 -12.875 1.00 0.00 C ATOM 1638 CG ASP A 100 3.422 10.064 -13.899 1.00 0.00 C ATOM 1639 OD1 ASP A 100 2.504 10.881 -13.691 1.00 0.00 O ATOM 1640 OD2 ASP A 100 4.156 10.088 -14.906 1.00 0.00 O ATOM 0 H ASP A 100 4.187 7.488 -10.978 1.00 0.00 H new ATOM 0 HA ASP A 100 5.476 9.734 -12.069 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.140 8.116 -13.358 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.687 8.604 -12.509 1.00 0.00 H new ATOM 1645 N ARG A 101 2.924 10.336 -10.100 1.00 0.00 N ATOM 1646 CA ARG A 101 2.224 11.380 -9.360 1.00 0.00 C ATOM 1647 C ARG A 101 3.195 12.153 -8.478 1.00 0.00 C ATOM 1648 O ARG A 101 3.175 13.383 -8.450 1.00 0.00 O ATOM 1649 CB ARG A 101 1.115 10.779 -8.510 1.00 0.00 C ATOM 1650 CG ARG A 101 -0.094 11.547 -8.609 1.00 0.00 C ATOM 1651 CD ARG A 101 -0.787 11.666 -7.253 1.00 0.00 C ATOM 1652 NE ARG A 101 -1.373 12.994 -7.056 1.00 0.00 N ATOM 1653 CZ ARG A 101 -2.315 13.254 -6.152 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -2.784 12.289 -5.375 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -2.792 14.483 -6.033 1.00 0.00 N ATOM 0 H ARG A 101 2.645 9.386 -9.853 1.00 0.00 H new ATOM 0 HA ARG A 101 1.781 12.068 -10.080 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.924 9.754 -8.829 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.436 10.734 -7.469 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.135 12.542 -8.992 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -0.769 11.077 -9.325 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.568 10.909 -7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.068 11.464 -6.459 1.00 0.00 H new ATOM 0 HE ARG A 101 -1.042 13.760 -7.642 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.423 11.339 -5.467 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.506 12.496 -4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.438 15.228 -6.633 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.514 14.685 -5.341 1.00 0.00 H new ATOM 1669 N ALA A 102 4.051 11.424 -7.773 1.00 0.00 N ATOM 1670 CA ALA A 102 5.032 12.039 -6.903 1.00 0.00 C ATOM 1671 C ALA A 102 5.947 12.983 -7.687 1.00 0.00 C ATOM 1672 O ALA A 102 6.645 13.811 -7.100 1.00 0.00 O ATOM 1673 CB ALA A 102 5.856 10.974 -6.194 1.00 0.00 C ATOM 0 H ALA A 102 4.082 10.405 -7.790 1.00 0.00 H new ATOM 0 HA ALA A 102 4.498 12.626 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.588 11.453 -5.544 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.198 10.343 -5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.373 10.362 -6.933 1.00 0.00 H new ATOM 1679 N LYS A 103 5.919 12.864 -9.009 1.00 0.00 N ATOM 1680 CA LYS A 103 6.743 13.711 -9.861 1.00 0.00 C ATOM 1681 C LYS A 103 6.035 15.040 -10.111 1.00 0.00 C ATOM 1682 O LYS A 103 6.660 16.100 -10.087 1.00 0.00 O ATOM 1683 CB LYS A 103 7.038 13.015 -11.193 1.00 0.00 C ATOM 1684 CG LYS A 103 8.459 12.486 -11.301 1.00 0.00 C ATOM 1685 CD LYS A 103 9.398 13.527 -11.891 1.00 0.00 C ATOM 1686 CE LYS A 103 9.607 13.307 -13.376 1.00 0.00 C ATOM 1687 NZ LYS A 103 8.327 13.299 -14.128 1.00 0.00 N ATOM 0 H LYS A 103 5.338 12.193 -9.512 1.00 0.00 H new ATOM 0 HA LYS A 103 7.689 13.898 -9.354 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.340 12.188 -11.324 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.857 13.716 -12.008 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.815 12.192 -10.314 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.469 11.591 -11.923 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.990 14.524 -11.724 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.358 13.485 -11.377 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.253 14.091 -13.770 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.124 12.360 -13.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 8.524 13.265 -15.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 7.769 12.465 -13.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.790 14.162 -13.908 1.00 0.00 H new ATOM 1701 N ALA A 104 4.727 14.968 -10.341 1.00 0.00 N ATOM 1702 CA ALA A 104 3.936 16.164 -10.576 1.00 0.00 C ATOM 1703 C ALA A 104 3.747 16.954 -9.280 1.00 0.00 C ATOM 1704 O ALA A 104 3.645 18.177 -9.298 1.00 0.00 O ATOM 1705 CB ALA A 104 2.578 15.790 -11.164 1.00 0.00 C ATOM 0 H ALA A 104 4.198 14.097 -10.369 1.00 0.00 H new ATOM 0 HA ALA A 104 4.471 16.793 -11.288 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.994 16.694 -11.336 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.722 15.266 -12.109 1.00 0.00 H new ATOM 0 HB3 ALA A 104 2.046 15.142 -10.468 1.00 0.00 H new ATOM 1711 N ALA A 105 3.718 16.235 -8.160 1.00 0.00 N ATOM 1712 CA ALA A 105 3.553 16.858 -6.862 1.00 0.00 C ATOM 1713 C ALA A 105 4.901 17.279 -6.276 1.00 0.00 C ATOM 1714 O ALA A 105 5.022 18.346 -5.675 1.00 0.00 O ATOM 1715 CB ALA A 105 2.830 15.916 -5.905 1.00 0.00 C ATOM 0 H ALA A 105 3.807 15.219 -8.132 1.00 0.00 H new ATOM 0 HA ALA A 105 2.948 17.755 -6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.715 16.400 -4.935 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.847 15.672 -6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.411 15.001 -5.787 1.00 0.00 H new ATOM 1721 N GLY A 106 5.906 16.430 -6.454 1.00 0.00 N ATOM 1722 CA GLY A 106 7.231 16.719 -5.946 1.00 0.00 C ATOM 1723 C GLY A 106 7.641 15.781 -4.834 1.00 0.00 C ATOM 1724 O GLY A 106 8.835 15.538 -4.622 1.00 0.00 O ATOM 0 H GLY A 106 5.824 15.540 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.952 16.649 -6.760 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.261 17.746 -5.581 1.00 0.00 H new ATOM 1728 N ILE A 107 6.655 15.245 -4.115 1.00 0.00 N ATOM 1729 CA ILE A 107 6.926 14.328 -3.018 1.00 0.00 C ATOM 1730 C ILE A 107 7.676 13.089 -3.502 1.00 0.00 C ATOM 1731 O ILE A 107 7.085 12.177 -4.085 1.00 0.00 O ATOM 1732 CB ILE A 107 5.625 13.884 -2.311 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.915 12.816 -1.255 1.00 0.00 C ATOM 1734 CG2 ILE A 107 4.621 13.365 -3.336 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.927 13.248 -0.219 1.00 0.00 C ATOM 0 H ILE A 107 5.665 15.432 -4.275 1.00 0.00 H new ATOM 0 HA ILE A 107 7.548 14.871 -2.307 1.00 0.00 H new ATOM 0 HB ILE A 107 5.195 14.749 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.984 12.551 -0.753 1.00 0.00 H new ATOM 0 HG13 ILE A 107 6.277 11.916 -1.751 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.708 13.055 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.388 14.155 -4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.048 12.513 -3.865 1.00 0.00 H new ATOM 0 HD11 ILE A 107 7.082 12.441 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.871 13.485 -0.709 1.00 0.00 H new ATOM 0 HD13 ILE A 107 6.558 14.130 0.304 1.00 0.00 H new ATOM 1747 N VAL A 108 8.979 13.056 -3.253 1.00 0.00 N ATOM 1748 CA VAL A 108 9.805 11.933 -3.640 1.00 0.00 C ATOM 1749 C VAL A 108 10.501 11.343 -2.419 1.00 0.00 C ATOM 1750 O VAL A 108 10.641 12.006 -1.395 1.00 0.00 O ATOM 1751 CB VAL A 108 10.863 12.339 -4.685 1.00 0.00 C ATOM 1752 CG1 VAL A 108 11.567 11.106 -5.231 1.00 0.00 C ATOM 1753 CG2 VAL A 108 10.227 13.144 -5.807 1.00 0.00 C ATOM 0 H VAL A 108 9.485 13.805 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 108 9.150 11.186 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 108 11.607 12.970 -4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.311 11.408 -5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.059 10.576 -4.415 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.836 10.449 -5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.990 13.421 -6.534 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.460 12.543 -6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.773 14.046 -5.396 1.00 0.00 H new ATOM 1763 N ILE A 109 10.936 10.091 -2.528 1.00 0.00 N ATOM 1764 CA ILE A 109 11.605 9.426 -1.424 1.00 0.00 C ATOM 1765 C ILE A 109 12.758 10.282 -0.897 1.00 0.00 C ATOM 1766 O ILE A 109 13.525 10.836 -1.683 1.00 0.00 O ATOM 1767 CB ILE A 109 12.110 8.027 -1.836 1.00 0.00 C ATOM 1768 CG1 ILE A 109 12.153 7.103 -0.611 1.00 0.00 C ATOM 1769 CG2 ILE A 109 13.472 8.104 -2.506 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.797 6.915 -0.001 1.00 0.00 C ATOM 0 H ILE A 109 10.836 9.522 -3.368 1.00 0.00 H new ATOM 0 HA ILE A 109 10.877 9.296 -0.623 1.00 0.00 H new ATOM 0 HB ILE A 109 11.413 7.612 -2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.557 6.133 -0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.831 7.520 0.134 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.798 7.102 -2.783 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.403 8.724 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.193 8.542 -1.816 1.00 0.00 H new ATOM 0 HD11 ILE A 109 10.875 6.254 0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.403 7.881 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.125 6.473 -0.737 1.00 0.00 H new ATOM 1782 N PRO A 110 12.891 10.419 0.366 1.00 0.00 N ATOM 1783 CA PRO A 110 13.946 11.232 0.956 1.00 0.00 C ATOM 1784 C PRO A 110 15.333 10.644 0.712 1.00 0.00 C ATOM 1785 O PRO A 110 15.992 10.166 1.631 1.00 0.00 O ATOM 1786 CB PRO A 110 13.611 11.210 2.448 1.00 0.00 C ATOM 1787 CG PRO A 110 12.780 9.991 2.644 1.00 0.00 C ATOM 1788 CD PRO A 110 12.014 9.811 1.366 1.00 0.00 C ATOM 0 HA PRO A 110 13.982 12.233 0.527 1.00 0.00 H new ATOM 0 HB2 PRO A 110 14.516 11.171 3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 110 13.068 12.108 2.743 1.00 0.00 H new ATOM 0 HG2 PRO A 110 13.404 9.122 2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 110 12.105 10.110 3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 110 11.828 8.758 1.152 1.00 0.00 H new ATOM 0 HD3 PRO A 110 11.043 10.305 1.405 1.00 0.00 H new ATOM 1796 N GLU A 111 15.773 10.686 -0.462 1.00 0.00 N ATOM 1797 CA GLU A 111 17.081 10.166 -0.829 1.00 0.00 C ATOM 1798 C GLU A 111 18.169 11.185 -0.523 1.00 0.00 C ATOM 1799 O GLU A 111 18.819 11.712 -1.429 1.00 0.00 O ATOM 1800 CB GLU A 111 17.127 9.773 -2.315 1.00 0.00 C ATOM 1801 CG GLU A 111 16.032 10.404 -3.169 1.00 0.00 C ATOM 1802 CD GLU A 111 16.289 10.255 -4.654 1.00 0.00 C ATOM 1803 OE1 GLU A 111 16.260 9.113 -5.150 1.00 0.00 O ATOM 1804 OE2 GLU A 111 16.521 11.285 -5.321 1.00 0.00 O ATOM 0 H GLU A 111 15.252 11.085 -1.243 1.00 0.00 H new ATOM 0 HA GLU A 111 17.260 9.271 -0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 111 18.097 10.056 -2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 111 17.052 8.688 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 111 15.075 9.945 -2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.950 11.463 -2.923 1.00 0.00 H new ATOM 1811 N GLU A 112 18.363 11.460 0.683 1.00 0.00 N ATOM 1812 CA GLU A 112 19.372 12.420 1.118 1.00 0.00 C ATOM 1813 C GLU A 112 20.767 11.978 0.679 1.00 0.00 C ATOM 1814 O GLU A 112 21.038 10.760 0.695 1.00 0.00 O ATOM 1815 CB GLU A 112 19.331 12.571 2.635 1.00 0.00 C ATOM 1816 CG GLU A 112 19.256 14.011 3.099 1.00 0.00 C ATOM 1817 CD GLU A 112 18.675 14.155 4.494 1.00 0.00 C ATOM 1818 OE1 GLU A 112 19.018 13.334 5.362 1.00 0.00 O ATOM 1819 OE2 GLU A 112 17.864 15.088 4.705 1.00 0.00 O ATOM 1820 OXT GLU A 112 21.571 12.864 0.329 1.00 0.00 O ATOM 0 H GLU A 112 17.836 11.038 1.448 1.00 0.00 H new ATOM 0 HA GLU A 112 19.151 13.381 0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.469 12.028 3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 112 20.220 12.106 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 112 20.256 14.445 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 112 18.648 14.582 2.397 1.00 0.00 H new