USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 700 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 52 ASN : amide:sc= -6.19! C(o=-9.4!,f=-20!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -165:sc= -1.33! (180deg=-2.67!) USER MOD Set 1.3: A 83 THR OG1 : rot 180:sc= -1.84! USER MOD Set 2.1: A 31 THR OG1 : rot 138:sc= -3.09! USER MOD Set 2.2: A 62 ASN : amide:sc= -9.53! C(o=-13!,f=-22!) USER MOD Single : A 7 SER OG : rot 38:sc= 0.0458 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -119:sc= -0.308! USER MOD Single : A 17 GLN :FLIP amide:sc= -7.61! C(o=-9.6!,f=-7.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 147:sc= -0.886 (180deg=-2.05!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 30 LYS NZ :NH3+ 147:sc= -0.384 (180deg=-2.38!) USER MOD Single : A 32 ASN :FLIP amide:sc= -3.82! C(o=-4.5!,f=-3.8!) USER MOD Single : A 34 THR OG1 : rot -51:sc= 0.627 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= -0.0353 (180deg=-0.353) USER MOD Single : A 42 GLN : amide:sc= -10.5! C(o=-10!,f=-11!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.227 USER MOD Single : A 44 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.435) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 99:sc= 0.149 USER MOD Single : A 53 TYR OH : rot 180:sc= -2.48 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -145:sc= 0.339 (180deg=-0.48) USER MOD Single : A 63 LYS NZ :NH3+ -116:sc= -0.12 (180deg=-0.693) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.765 USER MOD Single : A 66 HIS : +bothHN:sc= -6.61! C(o=-6.6!,f=-13!) USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00562) USER MOD Single : A 72 SER OG : rot 27:sc= 0.663 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.68 F(o=-1.3,f=-0.68) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -4.89! C(o=-4.9!,f=-8.9!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -5.1! C(o=-5.1!,f=-6.1!) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= -0.115 (180deg=-0.147) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 7 -15.453 -5.184 -9.084 1.00 0.00 N ATOM 87 CA SER A 7 -16.434 -6.086 -8.415 1.00 0.00 C ATOM 88 C SER A 7 -15.893 -6.535 -7.051 1.00 0.00 C ATOM 89 O SER A 7 -16.134 -5.904 -6.041 1.00 0.00 O ATOM 90 CB SER A 7 -16.674 -7.315 -9.294 1.00 0.00 C ATOM 91 OG SER A 7 -17.295 -6.916 -10.511 1.00 0.00 O ATOM 0 HA SER A 7 -17.370 -5.547 -8.268 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.729 -7.816 -9.503 1.00 0.00 H new ATOM 0 HB3 SER A 7 -17.305 -8.032 -8.770 1.00 0.00 H new ATOM 0 HG SER A 7 -16.917 -6.061 -10.806 1.00 0.00 H new ATOM 97 N GLU A 8 -15.175 -7.629 -7.009 1.00 0.00 N ATOM 98 CA GLU A 8 -14.639 -8.119 -5.711 1.00 0.00 C ATOM 99 C GLU A 8 -13.340 -7.403 -5.353 1.00 0.00 C ATOM 100 O GLU A 8 -12.265 -7.941 -5.509 1.00 0.00 O ATOM 101 CB GLU A 8 -14.389 -9.630 -5.784 1.00 0.00 C ATOM 102 CG GLU A 8 -15.442 -10.279 -6.683 1.00 0.00 C ATOM 103 CD GLU A 8 -15.490 -11.785 -6.414 1.00 0.00 C ATOM 104 OE1 GLU A 8 -15.110 -12.185 -5.326 1.00 0.00 O ATOM 105 OE2 GLU A 8 -15.905 -12.512 -7.302 1.00 0.00 O ATOM 0 H GLU A 8 -14.939 -8.201 -7.820 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.377 -7.908 -4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.391 -9.826 -6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.430 -10.065 -4.785 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.419 -9.835 -6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.204 -10.094 -7.731 1.00 0.00 H new ATOM 112 N ALA A 9 -13.429 -6.199 -4.859 1.00 0.00 N ATOM 113 CA ALA A 9 -12.194 -5.466 -4.477 1.00 0.00 C ATOM 114 C ALA A 9 -12.558 -4.078 -3.941 1.00 0.00 C ATOM 115 O ALA A 9 -13.546 -3.490 -4.332 1.00 0.00 O ATOM 116 CB ALA A 9 -11.296 -5.335 -5.700 1.00 0.00 C ATOM 0 H ALA A 9 -14.302 -5.694 -4.704 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.667 -6.015 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.387 -4.798 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.035 -6.327 -6.068 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.822 -4.786 -6.481 1.00 0.00 H new ATOM 122 N LYS A 10 -11.767 -3.553 -3.041 1.00 0.00 N ATOM 123 CA LYS A 10 -12.068 -2.205 -2.474 1.00 0.00 C ATOM 124 C LYS A 10 -10.921 -1.241 -2.799 1.00 0.00 C ATOM 125 O LYS A 10 -9.852 -1.663 -3.188 1.00 0.00 O ATOM 126 CB LYS A 10 -12.226 -2.312 -0.956 1.00 0.00 C ATOM 127 CG LYS A 10 -13.699 -2.146 -0.580 1.00 0.00 C ATOM 128 CD LYS A 10 -14.395 -3.508 -0.616 1.00 0.00 C ATOM 129 CE LYS A 10 -15.784 -3.388 0.011 1.00 0.00 C ATOM 130 NZ LYS A 10 -16.564 -4.626 -0.272 1.00 0.00 N ATOM 0 H LYS A 10 -10.926 -3.999 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.993 -1.829 -2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.858 -3.278 -0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.626 -1.547 -0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.784 -1.709 0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.186 -1.459 -1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.478 -3.859 -1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.802 -4.245 -0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.697 -3.238 1.087 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.303 -2.518 -0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.509 -4.546 0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.657 -4.750 -1.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.071 -5.447 0.133 1.00 0.00 H new ATOM 144 N PRO A 11 -11.186 0.033 -2.630 1.00 0.00 N ATOM 145 CA PRO A 11 -10.199 1.097 -2.899 1.00 0.00 C ATOM 146 C PRO A 11 -9.191 1.217 -1.747 1.00 0.00 C ATOM 147 O PRO A 11 -9.507 1.710 -0.685 1.00 0.00 O ATOM 148 CB PRO A 11 -11.057 2.360 -3.004 1.00 0.00 C ATOM 149 CG PRO A 11 -12.371 2.062 -2.241 1.00 0.00 C ATOM 150 CD PRO A 11 -12.496 0.528 -2.158 1.00 0.00 C ATOM 0 HA PRO A 11 -9.606 0.908 -3.794 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.542 3.217 -2.570 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.261 2.605 -4.046 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.349 2.503 -1.244 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.227 2.493 -2.761 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.703 0.200 -1.139 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.310 0.160 -2.783 1.00 0.00 H new ATOM 158 N ALA A 12 -7.980 0.774 -1.976 1.00 0.00 N ATOM 159 CA ALA A 12 -6.902 0.844 -0.936 1.00 0.00 C ATOM 160 C ALA A 12 -7.478 0.767 0.484 1.00 0.00 C ATOM 161 O ALA A 12 -7.958 1.746 1.022 1.00 0.00 O ATOM 162 CB ALA A 12 -6.136 2.153 -1.078 1.00 0.00 C ATOM 0 H ALA A 12 -7.685 0.357 -2.859 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.241 -0.008 -1.091 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.353 2.201 -0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.686 2.205 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.820 2.991 -0.946 1.00 0.00 H new ATOM 168 N THR A 13 -7.408 -0.375 1.110 1.00 0.00 N ATOM 169 CA THR A 13 -7.927 -0.492 2.505 1.00 0.00 C ATOM 170 C THR A 13 -6.863 0.048 3.461 1.00 0.00 C ATOM 171 O THR A 13 -5.754 0.321 3.049 1.00 0.00 O ATOM 172 CB THR A 13 -8.198 -1.964 2.823 1.00 0.00 C ATOM 173 OG1 THR A 13 -7.826 -2.765 1.712 1.00 0.00 O ATOM 174 CG2 THR A 13 -9.685 -2.156 3.130 1.00 0.00 C ATOM 0 H THR A 13 -7.015 -1.231 0.719 1.00 0.00 H new ATOM 0 HA THR A 13 -8.852 0.074 2.613 1.00 0.00 H new ATOM 0 HB THR A 13 -7.612 -2.263 3.692 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.613 -3.242 1.374 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.877 -3.205 3.356 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.962 -1.543 3.988 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.277 -1.857 2.265 1.00 0.00 H new ATOM 182 N PRO A 14 -7.210 0.156 4.715 1.00 0.00 N ATOM 183 CA PRO A 14 -6.266 0.619 5.742 1.00 0.00 C ATOM 184 C PRO A 14 -5.277 -0.517 6.014 1.00 0.00 C ATOM 185 O PRO A 14 -4.297 -0.369 6.716 1.00 0.00 O ATOM 186 CB PRO A 14 -7.158 0.912 6.952 1.00 0.00 C ATOM 187 CG PRO A 14 -8.455 0.096 6.740 1.00 0.00 C ATOM 188 CD PRO A 14 -8.553 -0.185 5.228 1.00 0.00 C ATOM 0 HA PRO A 14 -5.680 1.497 5.469 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.663 0.623 7.879 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.376 1.977 7.026 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.425 -0.835 7.306 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.325 0.653 7.088 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.803 -1.227 5.031 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.326 0.423 4.758 1.00 0.00 H new ATOM 196 N GLU A 15 -5.550 -1.652 5.427 1.00 0.00 N ATOM 197 CA GLU A 15 -4.683 -2.842 5.572 1.00 0.00 C ATOM 198 C GLU A 15 -3.767 -2.920 4.353 1.00 0.00 C ATOM 199 O GLU A 15 -2.560 -2.818 4.450 1.00 0.00 O ATOM 200 CB GLU A 15 -5.592 -4.067 5.595 1.00 0.00 C ATOM 201 CG GLU A 15 -4.768 -5.338 5.368 1.00 0.00 C ATOM 202 CD GLU A 15 -5.304 -6.082 4.144 1.00 0.00 C ATOM 203 OE1 GLU A 15 -6.429 -5.814 3.757 1.00 0.00 O ATOM 204 OE2 GLU A 15 -4.580 -6.908 3.614 1.00 0.00 O ATOM 0 H GLU A 15 -6.367 -1.800 4.835 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.083 -2.791 6.481 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.111 -4.127 6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.356 -3.977 4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.719 -5.082 5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.819 -5.979 6.248 1.00 0.00 H new ATOM 211 N ILE A 16 -4.350 -3.098 3.199 1.00 0.00 N ATOM 212 CA ILE A 16 -3.544 -3.180 1.947 1.00 0.00 C ATOM 213 C ILE A 16 -2.638 -1.962 1.849 1.00 0.00 C ATOM 214 O ILE A 16 -1.473 -2.068 1.537 1.00 0.00 O ATOM 215 CB ILE A 16 -4.480 -3.205 0.739 1.00 0.00 C ATOM 216 CG1 ILE A 16 -5.415 -4.407 0.856 1.00 0.00 C ATOM 217 CG2 ILE A 16 -3.653 -3.333 -0.543 1.00 0.00 C ATOM 218 CD1 ILE A 16 -4.626 -5.696 0.592 1.00 0.00 C ATOM 0 H ILE A 16 -5.357 -3.191 3.069 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.941 -4.088 1.963 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.062 -2.284 0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.862 -4.438 1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.233 -4.316 0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.319 -3.351 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.976 -2.483 -0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.074 -4.256 -0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.293 -6.554 0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.200 -5.663 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.823 -5.788 1.324 1.00 0.00 H new ATOM 230 N GLN A 17 -3.161 -0.802 2.107 1.00 0.00 N ATOM 231 CA GLN A 17 -2.320 0.416 2.022 1.00 0.00 C ATOM 232 C GLN A 17 -1.176 0.305 3.029 1.00 0.00 C ATOM 233 O GLN A 17 -0.089 0.798 2.803 1.00 0.00 O ATOM 234 CB GLN A 17 -3.186 1.648 2.301 1.00 0.00 C ATOM 235 CG GLN A 17 -3.355 1.860 3.808 1.00 0.00 C ATOM 236 CD GLN A 17 -3.999 3.226 4.054 1.00 0.00 C ATOM 237 OE1 GLN A 17 -4.616 3.832 3.074 1.00 0.00 O flip ATOM 238 NE2 GLN A 17 -3.943 3.749 5.150 1.00 0.00 N flip ATOM 0 H GLN A 17 -4.133 -0.644 2.373 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.893 0.516 1.024 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.728 2.530 1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.163 1.525 1.834 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.976 1.070 4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.387 1.806 4.306 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.462 3.278 5.916 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.377 4.659 5.304 1.00 0.00 H new ATOM 247 N GLU A 18 -1.402 -0.358 4.131 1.00 0.00 N ATOM 248 CA GLU A 18 -0.313 -0.517 5.134 1.00 0.00 C ATOM 249 C GLU A 18 0.812 -1.337 4.502 1.00 0.00 C ATOM 250 O GLU A 18 1.972 -1.169 4.822 1.00 0.00 O ATOM 251 CB GLU A 18 -0.846 -1.238 6.373 1.00 0.00 C ATOM 252 CG GLU A 18 0.277 -1.377 7.404 1.00 0.00 C ATOM 253 CD GLU A 18 -0.323 -1.455 8.809 1.00 0.00 C ATOM 254 OE1 GLU A 18 -0.953 -0.493 9.216 1.00 0.00 O ATOM 255 OE2 GLU A 18 -0.142 -2.475 9.453 1.00 0.00 O ATOM 0 H GLU A 18 -2.290 -0.794 4.378 1.00 0.00 H new ATOM 0 HA GLU A 18 0.061 0.462 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.680 -0.681 6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.227 -2.222 6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.864 -2.272 7.198 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.956 -0.527 7.334 1.00 0.00 H new ATOM 262 N ILE A 19 0.478 -2.212 3.590 1.00 0.00 N ATOM 263 CA ILE A 19 1.529 -3.023 2.916 1.00 0.00 C ATOM 264 C ILE A 19 2.383 -2.080 2.076 1.00 0.00 C ATOM 265 O ILE A 19 3.581 -2.239 1.944 1.00 0.00 O ATOM 266 CB ILE A 19 0.869 -4.084 2.015 1.00 0.00 C ATOM 267 CG1 ILE A 19 1.808 -5.283 1.889 1.00 0.00 C ATOM 268 CG2 ILE A 19 0.587 -3.522 0.611 1.00 0.00 C ATOM 269 CD1 ILE A 19 3.108 -4.835 1.215 1.00 0.00 C ATOM 0 H ILE A 19 -0.477 -2.399 3.284 1.00 0.00 H new ATOM 0 HA ILE A 19 2.148 -3.535 3.653 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.078 -4.381 2.467 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.020 -5.700 2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.334 -6.072 1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.121 -4.293 -0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.084 -2.666 0.690 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.523 -3.208 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.782 -5.687 1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.886 -4.438 0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.582 -4.061 1.818 1.00 0.00 H new ATOM 281 N VAL A 20 1.754 -1.093 1.514 1.00 0.00 N ATOM 282 CA VAL A 20 2.481 -0.107 0.680 1.00 0.00 C ATOM 283 C VAL A 20 3.452 0.664 1.574 1.00 0.00 C ATOM 284 O VAL A 20 4.338 1.334 1.105 1.00 0.00 O ATOM 285 CB VAL A 20 1.449 0.828 0.034 1.00 0.00 C ATOM 286 CG1 VAL A 20 2.079 2.181 -0.325 1.00 0.00 C ATOM 287 CG2 VAL A 20 0.906 0.170 -1.238 1.00 0.00 C ATOM 0 H VAL A 20 0.751 -0.926 1.599 1.00 0.00 H new ATOM 0 HA VAL A 20 3.054 -0.594 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 20 0.643 1.002 0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.326 2.824 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.462 2.655 0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.897 2.026 -1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.172 0.828 -1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.726 -0.008 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.433 -0.779 -0.984 1.00 0.00 H new ATOM 297 N ASP A 21 3.297 0.558 2.866 1.00 0.00 N ATOM 298 CA ASP A 21 4.224 1.267 3.797 1.00 0.00 C ATOM 299 C ASP A 21 5.249 0.274 4.354 1.00 0.00 C ATOM 300 O ASP A 21 6.274 0.657 4.883 1.00 0.00 O ATOM 301 CB ASP A 21 3.422 1.872 4.953 1.00 0.00 C ATOM 302 CG ASP A 21 4.383 2.407 6.017 1.00 0.00 C ATOM 303 OD1 ASP A 21 4.902 1.605 6.775 1.00 0.00 O ATOM 304 OD2 ASP A 21 4.583 3.610 6.055 1.00 0.00 O ATOM 0 H ASP A 21 2.566 0.009 3.319 1.00 0.00 H new ATOM 0 HA ASP A 21 4.742 2.060 3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.785 2.677 4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.765 1.118 5.387 1.00 0.00 H new ATOM 309 N LYS A 22 4.977 -1.000 4.248 1.00 0.00 N ATOM 310 CA LYS A 22 5.931 -2.015 4.782 1.00 0.00 C ATOM 311 C LYS A 22 6.964 -2.377 3.710 1.00 0.00 C ATOM 312 O LYS A 22 8.119 -2.017 3.807 1.00 0.00 O ATOM 313 CB LYS A 22 5.158 -3.270 5.196 1.00 0.00 C ATOM 314 CG LYS A 22 5.466 -3.598 6.658 1.00 0.00 C ATOM 315 CD LYS A 22 4.416 -2.948 7.562 1.00 0.00 C ATOM 316 CE LYS A 22 4.509 -3.551 8.964 1.00 0.00 C ATOM 317 NZ LYS A 22 3.576 -4.709 9.068 1.00 0.00 N ATOM 0 H LYS A 22 4.136 -1.381 3.815 1.00 0.00 H new ATOM 0 HA LYS A 22 6.448 -1.602 5.648 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.088 -3.111 5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.436 -4.109 4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.470 -4.678 6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.460 -3.237 6.921 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.575 -1.871 7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.419 -3.106 7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.530 -3.874 9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.258 -2.799 9.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.638 -5.120 10.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.603 -4.387 8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.835 -5.428 8.363 1.00 0.00 H new ATOM 331 N VAL A 23 6.561 -3.091 2.691 1.00 0.00 N ATOM 332 CA VAL A 23 7.523 -3.472 1.620 1.00 0.00 C ATOM 333 C VAL A 23 7.657 -2.323 0.618 1.00 0.00 C ATOM 334 O VAL A 23 8.469 -2.367 -0.285 1.00 0.00 O ATOM 335 CB VAL A 23 7.006 -4.713 0.898 1.00 0.00 C ATOM 336 CG1 VAL A 23 8.179 -5.454 0.266 1.00 0.00 C ATOM 337 CG2 VAL A 23 6.307 -5.629 1.902 1.00 0.00 C ATOM 0 H VAL A 23 5.607 -3.426 2.556 1.00 0.00 H new ATOM 0 HA VAL A 23 8.496 -3.682 2.063 1.00 0.00 H new ATOM 0 HB VAL A 23 6.300 -4.418 0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.813 -6.341 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.681 -4.800 -0.447 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.883 -5.751 1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.937 -6.516 1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.014 -5.926 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.471 -5.098 2.358 1.00 0.00 H new ATOM 347 N LYS A 24 6.869 -1.297 0.773 1.00 0.00 N ATOM 348 CA LYS A 24 6.946 -0.142 -0.164 1.00 0.00 C ATOM 349 C LYS A 24 7.066 1.160 0.639 1.00 0.00 C ATOM 350 O LYS A 24 6.323 2.092 0.411 1.00 0.00 O ATOM 351 CB LYS A 24 5.670 -0.102 -1.005 1.00 0.00 C ATOM 352 CG LYS A 24 5.609 -1.338 -1.904 1.00 0.00 C ATOM 353 CD LYS A 24 4.911 -2.478 -1.159 1.00 0.00 C ATOM 354 CE LYS A 24 3.446 -2.553 -1.594 1.00 0.00 C ATOM 355 NZ LYS A 24 3.149 -3.918 -2.114 1.00 0.00 N ATOM 0 H LYS A 24 6.171 -1.208 1.512 1.00 0.00 H new ATOM 0 HA LYS A 24 7.816 -0.249 -0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.795 -0.069 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.651 0.803 -1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.070 -1.106 -2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.616 -1.641 -2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.412 -3.423 -1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.974 -2.315 -0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 24 2.794 -2.324 -0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.246 -1.808 -2.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.165 -4.168 -1.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.284 -3.934 -3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.791 -4.606 -1.670 1.00 0.00 H new ATOM 369 N PRO A 25 8.005 1.196 1.552 1.00 0.00 N ATOM 370 CA PRO A 25 8.231 2.381 2.402 1.00 0.00 C ATOM 371 C PRO A 25 8.873 3.513 1.600 1.00 0.00 C ATOM 372 O PRO A 25 9.221 4.545 2.138 1.00 0.00 O ATOM 373 CB PRO A 25 9.168 1.871 3.496 1.00 0.00 C ATOM 374 CG PRO A 25 9.867 0.621 2.917 1.00 0.00 C ATOM 375 CD PRO A 25 8.940 0.081 1.813 1.00 0.00 C ATOM 0 HA PRO A 25 7.308 2.797 2.806 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.898 2.633 3.770 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.612 1.622 4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.847 0.876 2.512 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.027 -0.129 3.692 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.500 -0.187 0.918 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.411 -0.815 2.139 1.00 0.00 H new ATOM 383 N GLN A 26 8.996 3.347 0.315 1.00 0.00 N ATOM 384 CA GLN A 26 9.569 4.420 -0.520 1.00 0.00 C ATOM 385 C GLN A 26 8.536 4.710 -1.578 1.00 0.00 C ATOM 386 O GLN A 26 8.147 5.825 -1.790 1.00 0.00 O ATOM 387 CB GLN A 26 10.871 3.943 -1.167 1.00 0.00 C ATOM 388 CG GLN A 26 11.793 3.368 -0.090 1.00 0.00 C ATOM 389 CD GLN A 26 13.157 3.044 -0.701 1.00 0.00 C ATOM 390 OE1 GLN A 26 13.780 3.892 -1.310 1.00 0.00 O ATOM 391 NE2 GLN A 26 13.651 1.845 -0.564 1.00 0.00 N ATOM 0 H GLN A 26 8.720 2.505 -0.191 1.00 0.00 H new ATOM 0 HA GLN A 26 9.803 5.308 0.067 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.659 3.186 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.362 4.772 -1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.909 4.084 0.724 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.352 2.468 0.338 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.128 1.133 -0.053 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.560 1.619 -0.968 1.00 0.00 H new ATOM 400 N LEU A 27 8.049 3.684 -2.198 1.00 0.00 N ATOM 401 CA LEU A 27 7.002 3.847 -3.224 1.00 0.00 C ATOM 402 C LEU A 27 5.760 4.487 -2.587 1.00 0.00 C ATOM 403 O LEU A 27 4.859 4.939 -3.264 1.00 0.00 O ATOM 404 CB LEU A 27 6.664 2.454 -3.747 1.00 0.00 C ATOM 405 CG LEU A 27 7.956 1.725 -4.138 1.00 0.00 C ATOM 406 CD1 LEU A 27 7.763 0.213 -4.008 1.00 0.00 C ATOM 407 CD2 LEU A 27 8.315 2.082 -5.581 1.00 0.00 C ATOM 0 H LEU A 27 8.339 2.720 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 27 7.341 4.489 -4.037 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.131 1.887 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.001 2.529 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 27 8.763 2.033 -3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.685 -0.297 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.510 -0.034 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.956 -0.109 -4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.233 1.567 -5.866 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.506 1.775 -6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.463 3.159 -5.663 1.00 0.00 H new ATOM 419 N GLU A 28 5.708 4.506 -1.282 1.00 0.00 N ATOM 420 CA GLU A 28 4.532 5.091 -0.567 1.00 0.00 C ATOM 421 C GLU A 28 4.764 6.567 -0.219 1.00 0.00 C ATOM 422 O GLU A 28 3.834 7.285 0.094 1.00 0.00 O ATOM 423 CB GLU A 28 4.292 4.309 0.725 1.00 0.00 C ATOM 424 CG GLU A 28 3.151 4.955 1.511 1.00 0.00 C ATOM 425 CD GLU A 28 3.702 5.572 2.799 1.00 0.00 C ATOM 426 OE1 GLU A 28 3.890 4.834 3.752 1.00 0.00 O ATOM 427 OE2 GLU A 28 3.929 6.771 2.808 1.00 0.00 O ATOM 0 H GLU A 28 6.438 4.137 -0.672 1.00 0.00 H new ATOM 0 HA GLU A 28 3.666 5.025 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.047 3.272 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.200 4.295 1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.667 5.722 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.391 4.210 1.748 1.00 0.00 H new ATOM 434 N GLU A 29 5.981 7.033 -0.261 1.00 0.00 N ATOM 435 CA GLU A 29 6.234 8.464 0.079 1.00 0.00 C ATOM 436 C GLU A 29 7.219 9.010 -0.935 1.00 0.00 C ATOM 437 O GLU A 29 7.983 9.919 -0.676 1.00 0.00 O ATOM 438 CB GLU A 29 6.825 8.571 1.486 1.00 0.00 C ATOM 439 CG GLU A 29 8.130 7.775 1.558 1.00 0.00 C ATOM 440 CD GLU A 29 8.800 8.014 2.911 1.00 0.00 C ATOM 441 OE1 GLU A 29 8.139 7.826 3.919 1.00 0.00 O ATOM 442 OE2 GLU A 29 9.963 8.382 2.918 1.00 0.00 O ATOM 0 H GLU A 29 6.807 6.491 -0.514 1.00 0.00 H new ATOM 0 HA GLU A 29 5.304 9.031 0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.011 9.616 1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.114 8.190 2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.928 6.712 1.423 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.798 8.077 0.751 1.00 0.00 H new ATOM 449 N LYS A 30 7.203 8.429 -2.090 1.00 0.00 N ATOM 450 CA LYS A 30 8.119 8.841 -3.169 1.00 0.00 C ATOM 451 C LYS A 30 7.338 9.652 -4.178 1.00 0.00 C ATOM 452 O LYS A 30 7.618 10.809 -4.413 1.00 0.00 O ATOM 453 CB LYS A 30 8.647 7.567 -3.807 1.00 0.00 C ATOM 454 CG LYS A 30 10.066 7.787 -4.337 1.00 0.00 C ATOM 455 CD LYS A 30 10.627 6.460 -4.852 1.00 0.00 C ATOM 456 CE LYS A 30 10.783 6.524 -6.371 1.00 0.00 C ATOM 457 NZ LYS A 30 11.489 7.783 -6.744 1.00 0.00 N ATOM 0 H LYS A 30 6.575 7.664 -2.337 1.00 0.00 H new ATOM 0 HA LYS A 30 8.945 9.448 -2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.646 6.759 -3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.991 7.261 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.056 8.526 -5.138 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.704 8.182 -3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.591 6.256 -4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.961 5.642 -4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.345 5.660 -6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.805 6.487 -6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.074 7.616 -7.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.790 8.525 -6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.096 8.087 -5.956 1.00 0.00 H new ATOM 471 N THR A 31 6.340 9.056 -4.755 1.00 0.00 N ATOM 472 CA THR A 31 5.500 9.789 -5.729 1.00 0.00 C ATOM 473 C THR A 31 5.203 11.166 -5.139 1.00 0.00 C ATOM 474 O THR A 31 5.052 12.144 -5.844 1.00 0.00 O ATOM 475 CB THR A 31 4.211 8.993 -5.945 1.00 0.00 C ATOM 476 OG1 THR A 31 3.661 9.307 -7.216 1.00 0.00 O ATOM 477 CG2 THR A 31 3.188 9.310 -4.852 1.00 0.00 C ATOM 0 H THR A 31 6.069 8.086 -4.592 1.00 0.00 H new ATOM 0 HA THR A 31 6.000 9.910 -6.690 1.00 0.00 H new ATOM 0 HB THR A 31 4.450 7.930 -5.901 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.345 8.486 -7.648 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.280 8.733 -5.026 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.603 9.049 -3.878 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.952 10.374 -4.872 1.00 0.00 H new ATOM 485 N ASN A 32 5.153 11.231 -3.833 1.00 0.00 N ATOM 486 CA ASN A 32 4.900 12.523 -3.145 1.00 0.00 C ATOM 487 C ASN A 32 3.867 13.329 -3.940 1.00 0.00 C ATOM 488 O ASN A 32 4.006 14.519 -4.146 1.00 0.00 O ATOM 489 CB ASN A 32 6.238 13.275 -3.023 1.00 0.00 C ATOM 490 CG ASN A 32 6.502 14.124 -4.273 1.00 0.00 C ATOM 491 OD1 ASN A 32 6.966 13.556 -5.352 1.00 0.00 O flip ATOM 492 ND2 ASN A 32 6.283 15.320 -4.264 1.00 0.00 N flip ATOM 0 H ASN A 32 5.279 10.432 -3.211 1.00 0.00 H new ATOM 0 HA ASN A 32 4.496 12.363 -2.146 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.222 13.914 -2.140 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.050 12.561 -2.885 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.920 15.766 -3.421 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.462 15.878 -5.099 1.00 0.00 H new ATOM 499 N GLU A 33 2.826 12.682 -4.393 1.00 0.00 N ATOM 500 CA GLU A 33 1.789 13.405 -5.181 1.00 0.00 C ATOM 501 C GLU A 33 0.946 14.274 -4.250 1.00 0.00 C ATOM 502 O GLU A 33 0.912 14.070 -3.053 1.00 0.00 O ATOM 503 CB GLU A 33 0.888 12.392 -5.890 1.00 0.00 C ATOM 504 CG GLU A 33 1.630 11.802 -7.091 1.00 0.00 C ATOM 505 CD GLU A 33 1.301 12.614 -8.346 1.00 0.00 C ATOM 506 OE1 GLU A 33 0.279 12.343 -8.954 1.00 0.00 O ATOM 507 OE2 GLU A 33 2.079 13.494 -8.676 1.00 0.00 O ATOM 0 H GLU A 33 2.650 11.687 -4.251 1.00 0.00 H new ATOM 0 HA GLU A 33 2.277 14.039 -5.921 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.602 11.598 -5.200 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.032 12.875 -6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.705 11.814 -6.909 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.342 10.760 -7.233 1.00 0.00 H new ATOM 514 N THR A 34 0.259 15.245 -4.791 1.00 0.00 N ATOM 515 CA THR A 34 -0.584 16.124 -3.934 1.00 0.00 C ATOM 516 C THR A 34 -2.007 15.566 -3.893 1.00 0.00 C ATOM 517 O THR A 34 -2.975 16.298 -3.903 1.00 0.00 O ATOM 518 CB THR A 34 -0.602 17.544 -4.505 1.00 0.00 C ATOM 519 OG1 THR A 34 -1.306 18.399 -3.618 1.00 0.00 O ATOM 520 CG2 THR A 34 -1.294 17.543 -5.868 1.00 0.00 C ATOM 0 H THR A 34 0.246 15.466 -5.787 1.00 0.00 H new ATOM 0 HA THR A 34 -0.172 16.154 -2.925 1.00 0.00 H new ATOM 0 HB THR A 34 0.422 17.900 -4.621 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.177 18.003 -3.404 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.305 18.556 -6.271 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.754 16.887 -6.550 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.318 17.186 -5.756 1.00 0.00 H new ATOM 528 N TYR A 35 -2.132 14.270 -3.843 1.00 0.00 N ATOM 529 CA TYR A 35 -3.483 13.647 -3.794 1.00 0.00 C ATOM 530 C TYR A 35 -3.455 12.466 -2.834 1.00 0.00 C ATOM 531 O TYR A 35 -2.636 12.392 -1.939 1.00 0.00 O ATOM 532 CB TYR A 35 -3.868 13.122 -5.181 1.00 0.00 C ATOM 533 CG TYR A 35 -3.304 14.029 -6.247 1.00 0.00 C ATOM 534 CD1 TYR A 35 -3.821 15.320 -6.409 1.00 0.00 C ATOM 535 CD2 TYR A 35 -2.269 13.580 -7.075 1.00 0.00 C ATOM 536 CE1 TYR A 35 -3.302 16.163 -7.399 1.00 0.00 C ATOM 537 CE2 TYR A 35 -1.751 14.422 -8.066 1.00 0.00 C ATOM 538 CZ TYR A 35 -2.267 15.713 -8.229 1.00 0.00 C ATOM 539 OH TYR A 35 -1.758 16.543 -9.205 1.00 0.00 O ATOM 0 H TYR A 35 -1.352 13.612 -3.834 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.204 14.395 -3.465 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.488 12.109 -5.315 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.953 13.070 -5.272 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.620 15.666 -5.770 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.870 12.584 -6.949 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.699 17.160 -7.523 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.953 14.075 -8.705 1.00 0.00 H new ATOM 0 HH TYR A 35 -1.045 16.078 -9.691 1.00 0.00 H new ATOM 549 N GLY A 36 -4.330 11.528 -3.038 1.00 0.00 N ATOM 550 CA GLY A 36 -4.354 10.325 -2.173 1.00 0.00 C ATOM 551 C GLY A 36 -3.985 9.124 -3.038 1.00 0.00 C ATOM 552 O GLY A 36 -4.810 8.283 -3.334 1.00 0.00 O ATOM 0 H GLY A 36 -5.036 11.544 -3.774 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.650 10.433 -1.348 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.342 10.190 -1.733 1.00 0.00 H new ATOM 556 N LYS A 37 -2.748 9.034 -3.450 1.00 0.00 N ATOM 557 CA LYS A 37 -2.331 7.895 -4.289 1.00 0.00 C ATOM 558 C LYS A 37 -0.971 7.446 -3.775 1.00 0.00 C ATOM 559 O LYS A 37 -0.120 6.997 -4.493 1.00 0.00 O ATOM 560 CB LYS A 37 -2.235 8.328 -5.753 1.00 0.00 C ATOM 561 CG LYS A 37 -3.618 8.245 -6.402 1.00 0.00 C ATOM 562 CD LYS A 37 -4.335 9.589 -6.262 1.00 0.00 C ATOM 563 CE LYS A 37 -3.783 10.570 -7.297 1.00 0.00 C ATOM 564 NZ LYS A 37 -4.286 10.198 -8.650 1.00 0.00 N ATOM 0 H LYS A 37 -2.013 9.708 -3.236 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.053 7.080 -4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.852 9.346 -5.818 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.532 7.689 -6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.521 7.982 -7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.205 7.458 -5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.408 9.458 -6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.194 9.986 -5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.089 11.587 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.693 10.553 -7.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.256 11.030 -9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.688 9.446 -9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.266 9.858 -8.575 1.00 0.00 H new ATOM 578 N LEU A 38 -0.772 7.606 -2.517 1.00 0.00 N ATOM 579 CA LEU A 38 0.500 7.256 -1.888 1.00 0.00 C ATOM 580 C LEU A 38 0.246 6.075 -0.973 1.00 0.00 C ATOM 581 O LEU A 38 0.425 6.157 0.225 1.00 0.00 O ATOM 582 CB LEU A 38 0.895 8.445 -1.042 1.00 0.00 C ATOM 583 CG LEU A 38 0.585 9.772 -1.769 1.00 0.00 C ATOM 584 CD1 LEU A 38 0.687 9.631 -3.294 1.00 0.00 C ATOM 585 CD2 LEU A 38 -0.804 10.273 -1.377 1.00 0.00 C ATOM 0 H LEU A 38 -1.470 7.981 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 38 1.272 7.011 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.360 8.413 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.959 8.393 -0.811 1.00 0.00 H new ATOM 0 HG LEU A 38 1.335 10.500 -1.458 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.461 10.588 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.697 9.324 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.025 8.881 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.013 11.209 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.551 9.530 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.841 10.438 -0.300 1.00 0.00 H new ATOM 597 N GLU A 39 -0.230 4.999 -1.509 1.00 0.00 N ATOM 598 CA GLU A 39 -0.557 3.856 -0.638 1.00 0.00 C ATOM 599 C GLU A 39 -1.101 2.721 -1.494 1.00 0.00 C ATOM 600 O GLU A 39 -0.783 2.607 -2.662 1.00 0.00 O ATOM 601 CB GLU A 39 -1.616 4.335 0.356 1.00 0.00 C ATOM 602 CG GLU A 39 -1.087 4.166 1.782 1.00 0.00 C ATOM 603 CD GLU A 39 -2.062 4.814 2.768 1.00 0.00 C ATOM 604 OE1 GLU A 39 -2.988 5.464 2.313 1.00 0.00 O ATOM 605 OE2 GLU A 39 -1.864 4.649 3.960 1.00 0.00 O ATOM 0 H GLU A 39 -0.405 4.862 -2.504 1.00 0.00 H new ATOM 0 HA GLU A 39 0.321 3.492 -0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.860 5.381 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.536 3.765 0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.968 3.108 2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.102 4.625 1.873 1.00 0.00 H new ATOM 612 N ALA A 40 -1.928 1.895 -0.943 1.00 0.00 N ATOM 613 CA ALA A 40 -2.497 0.789 -1.756 1.00 0.00 C ATOM 614 C ALA A 40 -3.510 1.365 -2.743 1.00 0.00 C ATOM 615 O ALA A 40 -4.066 2.422 -2.533 1.00 0.00 O ATOM 616 CB ALA A 40 -3.197 -0.214 -0.841 1.00 0.00 C ATOM 0 H ALA A 40 -2.237 1.932 0.028 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.696 0.285 -2.298 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.613 -1.024 -1.440 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.478 -0.621 -0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.000 0.286 -0.299 1.00 0.00 H new ATOM 622 N VAL A 41 -3.758 0.668 -3.809 1.00 0.00 N ATOM 623 CA VAL A 41 -4.741 1.146 -4.812 1.00 0.00 C ATOM 624 C VAL A 41 -6.039 0.383 -4.592 1.00 0.00 C ATOM 625 O VAL A 41 -7.124 0.900 -4.765 1.00 0.00 O ATOM 626 CB VAL A 41 -4.185 0.878 -6.226 1.00 0.00 C ATOM 627 CG1 VAL A 41 -5.101 -0.055 -7.001 1.00 0.00 C ATOM 628 CG2 VAL A 41 -4.082 2.191 -6.995 1.00 0.00 C ATOM 0 H VAL A 41 -3.316 -0.224 -4.032 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.923 2.216 -4.709 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.203 0.417 -6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.687 -0.229 -7.994 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.185 -1.004 -6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.088 0.398 -7.093 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.689 1.998 -7.993 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.070 2.644 -7.075 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.413 2.871 -6.467 1.00 0.00 H new ATOM 638 N GLN A 42 -5.918 -0.858 -4.230 1.00 0.00 N ATOM 639 CA GLN A 42 -7.132 -1.685 -4.014 1.00 0.00 C ATOM 640 C GLN A 42 -6.716 -3.147 -3.874 1.00 0.00 C ATOM 641 O GLN A 42 -5.604 -3.524 -4.186 1.00 0.00 O ATOM 642 CB GLN A 42 -8.089 -1.476 -5.213 1.00 0.00 C ATOM 643 CG GLN A 42 -8.612 -2.816 -5.777 1.00 0.00 C ATOM 644 CD GLN A 42 -7.473 -3.541 -6.499 1.00 0.00 C ATOM 645 OE1 GLN A 42 -6.817 -2.975 -7.351 1.00 0.00 O ATOM 646 NE2 GLN A 42 -7.213 -4.778 -6.186 1.00 0.00 N ATOM 0 H GLN A 42 -5.031 -1.337 -4.074 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.652 -1.392 -3.102 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.932 -0.860 -4.900 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.570 -0.929 -6.000 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.999 -3.437 -4.969 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.438 -2.636 -6.465 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.766 -5.250 -5.470 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.457 -5.275 -6.656 1.00 0.00 H new ATOM 655 N TYR A 43 -7.608 -3.968 -3.415 1.00 0.00 N ATOM 656 CA TYR A 43 -7.284 -5.403 -3.260 1.00 0.00 C ATOM 657 C TYR A 43 -8.526 -6.227 -3.579 1.00 0.00 C ATOM 658 O TYR A 43 -9.539 -6.128 -2.914 1.00 0.00 O ATOM 659 CB TYR A 43 -6.859 -5.669 -1.828 1.00 0.00 C ATOM 660 CG TYR A 43 -7.999 -5.307 -0.905 1.00 0.00 C ATOM 661 CD1 TYR A 43 -8.446 -3.979 -0.824 1.00 0.00 C ATOM 662 CD2 TYR A 43 -8.615 -6.298 -0.137 1.00 0.00 C ATOM 663 CE1 TYR A 43 -9.508 -3.650 0.025 1.00 0.00 C ATOM 664 CE2 TYR A 43 -9.679 -5.969 0.712 1.00 0.00 C ATOM 665 CZ TYR A 43 -10.125 -4.645 0.794 1.00 0.00 C ATOM 666 OH TYR A 43 -11.174 -4.319 1.630 1.00 0.00 O ATOM 0 H TYR A 43 -8.554 -3.704 -3.139 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.474 -5.676 -3.937 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.591 -6.718 -1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.974 -5.082 -1.582 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.970 -3.212 -1.417 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -8.270 -7.320 -0.198 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.852 -2.628 0.088 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -10.155 -6.737 1.303 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.488 -5.125 2.090 1.00 0.00 H new ATOM 676 N LYS A 44 -8.458 -7.041 -4.591 1.00 0.00 N ATOM 677 CA LYS A 44 -9.634 -7.867 -4.946 1.00 0.00 C ATOM 678 C LYS A 44 -9.460 -9.242 -4.301 1.00 0.00 C ATOM 679 O LYS A 44 -8.374 -9.622 -3.914 1.00 0.00 O ATOM 680 CB LYS A 44 -9.738 -7.997 -6.479 1.00 0.00 C ATOM 681 CG LYS A 44 -10.356 -9.348 -6.877 1.00 0.00 C ATOM 682 CD LYS A 44 -10.869 -9.279 -8.314 1.00 0.00 C ATOM 683 CE LYS A 44 -12.176 -8.481 -8.356 1.00 0.00 C ATOM 684 NZ LYS A 44 -13.006 -8.960 -9.497 1.00 0.00 N ATOM 0 H LYS A 44 -7.639 -7.168 -5.185 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.551 -7.403 -4.583 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.346 -7.184 -6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.747 -7.901 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.613 -10.140 -6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.174 -9.598 -6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.123 -8.808 -8.955 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.033 -10.285 -8.701 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.720 -8.602 -7.419 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.963 -7.418 -8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.627 -8.191 -9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.386 -9.257 -10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.586 -9.767 -9.190 1.00 0.00 H new ATOM 698 N THR A 45 -10.512 -9.990 -4.178 1.00 0.00 N ATOM 699 CA THR A 45 -10.382 -11.335 -3.557 1.00 0.00 C ATOM 700 C THR A 45 -10.980 -12.394 -4.482 1.00 0.00 C ATOM 701 O THR A 45 -11.964 -12.167 -5.157 1.00 0.00 O ATOM 702 CB THR A 45 -11.124 -11.352 -2.220 1.00 0.00 C ATOM 703 OG1 THR A 45 -11.900 -10.168 -2.098 1.00 0.00 O ATOM 704 CG2 THR A 45 -10.115 -11.423 -1.074 1.00 0.00 C ATOM 0 H THR A 45 -11.453 -9.734 -4.478 1.00 0.00 H new ATOM 0 HA THR A 45 -9.327 -11.554 -3.394 1.00 0.00 H new ATOM 0 HB THR A 45 -11.778 -12.223 -2.178 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.378 -10.177 -1.243 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.646 -11.435 -0.122 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.520 -12.331 -1.169 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.459 -10.553 -1.113 1.00 0.00 H new ATOM 712 N GLN A 46 -10.388 -13.554 -4.511 1.00 0.00 N ATOM 713 CA GLN A 46 -10.908 -14.646 -5.378 1.00 0.00 C ATOM 714 C GLN A 46 -10.272 -15.964 -4.934 1.00 0.00 C ATOM 715 O GLN A 46 -9.070 -16.089 -4.896 1.00 0.00 O ATOM 716 CB GLN A 46 -10.542 -14.362 -6.838 1.00 0.00 C ATOM 717 CG GLN A 46 -9.049 -14.627 -7.057 1.00 0.00 C ATOM 718 CD GLN A 46 -8.647 -14.167 -8.459 1.00 0.00 C ATOM 719 OE1 GLN A 46 -9.188 -14.632 -9.443 1.00 0.00 O ATOM 720 NE2 GLN A 46 -7.714 -13.265 -8.593 1.00 0.00 N ATOM 0 H GLN A 46 -9.559 -13.794 -3.967 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.993 -14.708 -5.291 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.134 -14.993 -7.501 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.778 -13.328 -7.088 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.461 -14.097 -6.307 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.836 -15.689 -6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.260 -12.875 -7.767 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.439 -12.950 -9.523 1.00 0.00 H new ATOM 729 N VAL A 47 -11.070 -16.937 -4.590 1.00 0.00 N ATOM 730 CA VAL A 47 -10.515 -18.243 -4.137 1.00 0.00 C ATOM 731 C VAL A 47 -9.583 -18.821 -5.188 1.00 0.00 C ATOM 732 O VAL A 47 -9.041 -18.106 -6.005 1.00 0.00 O ATOM 733 CB VAL A 47 -11.671 -19.206 -3.871 1.00 0.00 C ATOM 734 CG1 VAL A 47 -12.643 -18.570 -2.874 1.00 0.00 C ATOM 735 CG2 VAL A 47 -12.404 -19.495 -5.183 1.00 0.00 C ATOM 0 H VAL A 47 -12.088 -16.883 -4.603 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.941 -18.094 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.283 -20.137 -3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.469 -19.256 -2.683 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.121 -18.361 -1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.032 -17.640 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.229 -20.182 -4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.794 -18.564 -5.595 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.712 -19.945 -5.895 1.00 0.00 H new ATOM 745 N VAL A 48 -9.364 -20.107 -5.128 1.00 0.00 N ATOM 746 CA VAL A 48 -8.430 -20.776 -6.075 1.00 0.00 C ATOM 747 C VAL A 48 -8.103 -22.149 -5.494 1.00 0.00 C ATOM 748 O VAL A 48 -8.140 -23.169 -6.153 1.00 0.00 O ATOM 749 CB VAL A 48 -7.141 -19.921 -6.171 1.00 0.00 C ATOM 750 CG1 VAL A 48 -5.981 -20.542 -5.384 1.00 0.00 C ATOM 751 CG2 VAL A 48 -6.737 -19.760 -7.636 1.00 0.00 C ATOM 0 H VAL A 48 -9.801 -20.731 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.866 -20.882 -7.069 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.357 -18.947 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.098 -19.910 -5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.257 -20.624 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.762 -21.534 -5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.830 -19.158 -7.699 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.552 -20.742 -8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.540 -19.265 -8.183 1.00 0.00 H new ATOM 761 N ALA A 49 -7.749 -22.124 -4.248 1.00 0.00 N ATOM 762 CA ALA A 49 -7.353 -23.350 -3.505 1.00 0.00 C ATOM 763 C ALA A 49 -6.420 -22.884 -2.392 1.00 0.00 C ATOM 764 O ALA A 49 -5.330 -23.386 -2.207 1.00 0.00 O ATOM 765 CB ALA A 49 -6.616 -24.313 -4.436 1.00 0.00 C ATOM 0 H ALA A 49 -7.716 -21.271 -3.689 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.222 -23.875 -3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.330 -25.207 -3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.269 -24.591 -5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.722 -23.828 -4.828 1.00 0.00 H new ATOM 771 N GLY A 50 -6.850 -21.880 -1.685 1.00 0.00 N ATOM 772 CA GLY A 50 -6.037 -21.278 -0.594 1.00 0.00 C ATOM 773 C GLY A 50 -6.541 -19.845 -0.409 1.00 0.00 C ATOM 774 O GLY A 50 -6.470 -19.284 0.665 1.00 0.00 O ATOM 0 H GLY A 50 -7.759 -21.438 -1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.145 -21.848 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.978 -21.285 -0.851 1.00 0.00 H new ATOM 778 N THR A 51 -7.068 -19.285 -1.481 1.00 0.00 N ATOM 779 CA THR A 51 -7.644 -17.904 -1.490 1.00 0.00 C ATOM 780 C THR A 51 -6.707 -16.931 -2.207 1.00 0.00 C ATOM 781 O THR A 51 -5.806 -16.367 -1.616 1.00 0.00 O ATOM 782 CB THR A 51 -7.898 -17.410 -0.074 1.00 0.00 C ATOM 783 OG1 THR A 51 -8.603 -18.406 0.656 1.00 0.00 O ATOM 784 CG2 THR A 51 -8.729 -16.127 -0.129 1.00 0.00 C ATOM 0 H THR A 51 -7.121 -19.755 -2.385 1.00 0.00 H new ATOM 0 HA THR A 51 -8.593 -17.948 -2.025 1.00 0.00 H new ATOM 0 HB THR A 51 -6.948 -17.207 0.420 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.972 -18.916 1.206 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.914 -15.769 0.884 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.186 -15.366 -0.689 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.680 -16.330 -0.621 1.00 0.00 H new ATOM 792 N ASN A 52 -6.922 -16.720 -3.479 1.00 0.00 N ATOM 793 CA ASN A 52 -6.053 -15.771 -4.237 1.00 0.00 C ATOM 794 C ASN A 52 -6.360 -14.326 -3.818 1.00 0.00 C ATOM 795 O ASN A 52 -7.453 -14.009 -3.392 1.00 0.00 O ATOM 796 CB ASN A 52 -6.336 -15.915 -5.731 1.00 0.00 C ATOM 797 CG ASN A 52 -5.026 -16.163 -6.478 1.00 0.00 C ATOM 798 OD1 ASN A 52 -4.320 -15.234 -6.815 1.00 0.00 O ATOM 799 ND2 ASN A 52 -4.668 -17.387 -6.754 1.00 0.00 N ATOM 0 H ASN A 52 -7.661 -17.163 -4.025 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.009 -15.999 -4.024 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.027 -16.741 -5.903 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.817 -15.013 -6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.796 -17.563 -7.252 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.260 -18.168 -6.471 1.00 0.00 H new ATOM 806 N TYR A 53 -5.406 -13.442 -3.967 1.00 0.00 N ATOM 807 CA TYR A 53 -5.636 -12.008 -3.615 1.00 0.00 C ATOM 808 C TYR A 53 -4.937 -11.130 -4.655 1.00 0.00 C ATOM 809 O TYR A 53 -3.833 -11.410 -5.079 1.00 0.00 O ATOM 810 CB TYR A 53 -5.065 -11.677 -2.229 1.00 0.00 C ATOM 811 CG TYR A 53 -5.539 -12.676 -1.199 1.00 0.00 C ATOM 812 CD1 TYR A 53 -6.894 -12.743 -0.855 1.00 0.00 C ATOM 813 CD2 TYR A 53 -4.616 -13.521 -0.569 1.00 0.00 C ATOM 814 CE1 TYR A 53 -7.325 -13.655 0.118 1.00 0.00 C ATOM 815 CE2 TYR A 53 -5.047 -14.434 0.399 1.00 0.00 C ATOM 816 CZ TYR A 53 -6.401 -14.501 0.743 1.00 0.00 C ATOM 817 OH TYR A 53 -6.820 -15.398 1.705 1.00 0.00 O ATOM 0 H TYR A 53 -4.472 -13.653 -4.319 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.710 -11.822 -3.601 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.976 -11.679 -2.270 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.371 -10.673 -1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.607 -12.092 -1.339 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.570 -13.467 -0.831 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.370 -13.705 0.386 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.334 -15.087 0.881 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.050 -15.908 2.034 1.00 0.00 H new ATOM 827 N TYR A 54 -5.572 -10.070 -5.068 1.00 0.00 N ATOM 828 CA TYR A 54 -4.949 -9.169 -6.082 1.00 0.00 C ATOM 829 C TYR A 54 -4.717 -7.788 -5.460 1.00 0.00 C ATOM 830 O TYR A 54 -5.602 -6.958 -5.433 1.00 0.00 O ATOM 831 CB TYR A 54 -5.895 -9.037 -7.275 1.00 0.00 C ATOM 832 CG TYR A 54 -5.099 -8.972 -8.557 1.00 0.00 C ATOM 833 CD1 TYR A 54 -4.124 -9.939 -8.829 1.00 0.00 C ATOM 834 CD2 TYR A 54 -5.341 -7.945 -9.477 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.392 -9.879 -10.022 1.00 0.00 C ATOM 836 CE2 TYR A 54 -4.608 -7.884 -10.668 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.633 -8.851 -10.941 1.00 0.00 C ATOM 838 OH TYR A 54 -2.913 -8.792 -12.116 1.00 0.00 O ATOM 0 H TYR A 54 -6.498 -9.786 -4.748 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.995 -9.583 -6.410 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.579 -9.885 -7.304 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.505 -8.140 -7.169 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.936 -10.731 -8.119 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.094 -7.199 -9.268 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.641 -10.626 -10.233 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.795 -7.091 -11.377 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.206 -8.018 -12.641 1.00 0.00 H new ATOM 848 N ILE A 55 -3.543 -7.533 -4.945 1.00 0.00 N ATOM 849 CA ILE A 55 -3.291 -6.211 -4.313 1.00 0.00 C ATOM 850 C ILE A 55 -2.677 -5.233 -5.311 1.00 0.00 C ATOM 851 O ILE A 55 -1.474 -5.109 -5.417 1.00 0.00 O ATOM 852 CB ILE A 55 -2.333 -6.393 -3.135 1.00 0.00 C ATOM 853 CG1 ILE A 55 -2.855 -7.499 -2.211 1.00 0.00 C ATOM 854 CG2 ILE A 55 -2.229 -5.081 -2.355 1.00 0.00 C ATOM 855 CD1 ILE A 55 -4.351 -7.300 -1.958 1.00 0.00 C ATOM 0 H ILE A 55 -2.755 -8.180 -4.936 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.243 -5.804 -3.971 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.348 -6.672 -3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.680 -8.475 -2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.312 -7.483 -1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.546 -5.210 -1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.853 -4.296 -3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.214 -4.800 -1.982 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.717 -8.089 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.515 -6.331 -1.487 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.889 -7.339 -2.905 1.00 0.00 H new ATOM 867 N LYS A 56 -3.498 -4.495 -6.000 1.00 0.00 N ATOM 868 CA LYS A 56 -2.976 -3.483 -6.942 1.00 0.00 C ATOM 869 C LYS A 56 -2.554 -2.293 -6.080 1.00 0.00 C ATOM 870 O LYS A 56 -3.388 -1.625 -5.501 1.00 0.00 O ATOM 871 CB LYS A 56 -4.103 -3.071 -7.884 1.00 0.00 C ATOM 872 CG LYS A 56 -3.532 -2.327 -9.093 1.00 0.00 C ATOM 873 CD LYS A 56 -4.540 -2.383 -10.243 1.00 0.00 C ATOM 874 CE LYS A 56 -4.204 -1.306 -11.278 1.00 0.00 C ATOM 875 NZ LYS A 56 -4.576 0.033 -10.740 1.00 0.00 N ATOM 0 H LYS A 56 -4.515 -4.553 -5.947 1.00 0.00 H new ATOM 0 HA LYS A 56 -2.143 -3.854 -7.538 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.651 -3.953 -8.216 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.813 -2.434 -7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.320 -1.291 -8.830 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.588 -2.778 -9.399 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.520 -3.368 -10.709 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.550 -2.232 -9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.140 -1.332 -11.514 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.741 -1.499 -12.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.919 0.636 -11.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.326 -0.075 -10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.743 0.474 -10.301 1.00 0.00 H new ATOM 889 N VAL A 57 -1.285 -2.040 -5.932 1.00 0.00 N ATOM 890 CA VAL A 57 -0.891 -0.913 -5.037 1.00 0.00 C ATOM 891 C VAL A 57 -0.791 0.405 -5.816 1.00 0.00 C ATOM 892 O VAL A 57 -0.396 0.453 -6.965 1.00 0.00 O ATOM 893 CB VAL A 57 0.423 -1.228 -4.287 1.00 0.00 C ATOM 894 CG1 VAL A 57 1.168 -2.382 -4.945 1.00 0.00 C ATOM 895 CG2 VAL A 57 1.320 0.008 -4.246 1.00 0.00 C ATOM 0 H VAL A 57 -0.520 -2.547 -6.377 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.674 -0.793 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 57 0.165 -1.520 -3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.088 -2.581 -4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.540 -3.273 -4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.410 -2.119 -5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.242 -0.229 -3.715 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.557 0.319 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.802 0.817 -3.731 1.00 0.00 H new ATOM 905 N ARG A 58 -1.163 1.471 -5.161 1.00 0.00 N ATOM 906 CA ARG A 58 -1.132 2.828 -5.776 1.00 0.00 C ATOM 907 C ARG A 58 0.193 3.520 -5.447 1.00 0.00 C ATOM 908 O ARG A 58 0.656 3.475 -4.322 1.00 0.00 O ATOM 909 CB ARG A 58 -2.323 3.623 -5.184 1.00 0.00 C ATOM 910 CG ARG A 58 -1.897 4.930 -4.475 1.00 0.00 C ATOM 911 CD ARG A 58 -2.657 5.075 -3.154 1.00 0.00 C ATOM 912 NE ARG A 58 -4.073 4.687 -3.363 1.00 0.00 N ATOM 913 CZ ARG A 58 -5.024 5.297 -2.709 1.00 0.00 C ATOM 914 NH1 ARG A 58 -4.998 5.336 -1.405 1.00 0.00 N ATOM 915 NH2 ARG A 58 -6.002 5.870 -3.358 1.00 0.00 N ATOM 0 H ARG A 58 -1.497 1.456 -4.197 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.214 2.769 -6.861 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.023 3.864 -5.984 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.856 2.990 -4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.823 4.920 -4.288 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.100 5.786 -5.118 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.204 4.445 -2.388 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.598 6.103 -2.797 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.304 3.941 -4.020 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.235 4.890 -0.897 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.741 5.813 -0.894 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.023 5.841 -4.377 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.744 6.346 -2.845 1.00 0.00 H new ATOM 929 N ALA A 59 0.784 4.207 -6.388 1.00 0.00 N ATOM 930 CA ALA A 59 2.035 4.927 -6.068 1.00 0.00 C ATOM 931 C ALA A 59 1.900 6.362 -6.553 1.00 0.00 C ATOM 932 O ALA A 59 2.870 7.020 -6.842 1.00 0.00 O ATOM 933 CB ALA A 59 3.215 4.253 -6.757 1.00 0.00 C ATOM 0 H ALA A 59 0.455 4.296 -7.349 1.00 0.00 H new ATOM 0 HA ALA A 59 2.210 4.911 -4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.132 4.790 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.297 3.222 -6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.061 4.264 -7.836 1.00 0.00 H new ATOM 939 N GLY A 60 0.702 6.867 -6.634 1.00 0.00 N ATOM 940 CA GLY A 60 0.542 8.273 -7.089 1.00 0.00 C ATOM 941 C GLY A 60 -0.115 8.290 -8.469 1.00 0.00 C ATOM 942 O GLY A 60 -0.869 7.404 -8.818 1.00 0.00 O ATOM 0 H GLY A 60 -0.162 6.374 -6.408 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.068 8.830 -6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.513 8.766 -7.131 1.00 0.00 H new ATOM 946 N ASP A 61 0.165 9.290 -9.257 1.00 0.00 N ATOM 947 CA ASP A 61 -0.446 9.362 -10.614 1.00 0.00 C ATOM 948 C ASP A 61 0.560 8.875 -11.659 1.00 0.00 C ATOM 949 O ASP A 61 0.191 8.354 -12.693 1.00 0.00 O ATOM 950 CB ASP A 61 -0.832 10.811 -10.918 1.00 0.00 C ATOM 951 CG ASP A 61 -1.490 10.887 -12.295 1.00 0.00 C ATOM 952 OD1 ASP A 61 -2.588 10.374 -12.435 1.00 0.00 O ATOM 953 OD2 ASP A 61 -0.887 11.460 -13.188 1.00 0.00 O ATOM 0 H ASP A 61 0.790 10.060 -9.021 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.334 8.730 -10.646 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.516 11.183 -10.156 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.053 11.447 -10.891 1.00 0.00 H new ATOM 958 N ASN A 62 1.827 9.049 -11.405 1.00 0.00 N ATOM 959 CA ASN A 62 2.850 8.608 -12.386 1.00 0.00 C ATOM 960 C ASN A 62 3.485 7.293 -11.925 1.00 0.00 C ATOM 961 O ASN A 62 4.010 6.538 -12.719 1.00 0.00 O ATOM 962 CB ASN A 62 3.936 9.678 -12.505 1.00 0.00 C ATOM 963 CG ASN A 62 4.586 9.895 -11.138 1.00 0.00 C ATOM 964 OD1 ASN A 62 5.652 9.379 -10.870 1.00 0.00 O ATOM 965 ND2 ASN A 62 3.982 10.641 -10.254 1.00 0.00 N ATOM 0 H ASN A 62 2.196 9.479 -10.557 1.00 0.00 H new ATOM 0 HA ASN A 62 2.373 8.457 -13.354 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.687 9.370 -13.233 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.505 10.611 -12.867 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.405 10.791 -9.338 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.087 11.075 -10.479 1.00 0.00 H new ATOM 972 N LYS A 63 3.444 7.012 -10.652 1.00 0.00 N ATOM 973 CA LYS A 63 4.050 5.746 -10.154 1.00 0.00 C ATOM 974 C LYS A 63 2.928 4.763 -9.796 1.00 0.00 C ATOM 975 O LYS A 63 1.822 5.153 -9.452 1.00 0.00 O ATOM 976 CB LYS A 63 4.920 6.052 -8.935 1.00 0.00 C ATOM 977 CG LYS A 63 6.000 7.063 -9.316 1.00 0.00 C ATOM 978 CD LYS A 63 5.808 8.334 -8.492 1.00 0.00 C ATOM 979 CE LYS A 63 7.010 9.261 -8.684 1.00 0.00 C ATOM 980 NZ LYS A 63 8.072 8.907 -7.699 1.00 0.00 N ATOM 0 H LYS A 63 3.018 7.602 -9.937 1.00 0.00 H new ATOM 0 HA LYS A 63 4.678 5.294 -10.922 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.305 6.449 -8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.380 5.136 -8.565 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.989 6.643 -9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.942 7.292 -10.380 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.893 8.842 -8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.696 8.082 -7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.395 9.169 -9.699 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.707 10.300 -8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.223 9.705 -7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.777 8.070 -7.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.957 8.699 -8.203 1.00 0.00 H new ATOM 994 N TYR A 64 3.184 3.487 -9.887 1.00 0.00 N ATOM 995 CA TYR A 64 2.113 2.509 -9.586 1.00 0.00 C ATOM 996 C TYR A 64 2.730 1.138 -9.340 1.00 0.00 C ATOM 997 O TYR A 64 3.629 0.720 -10.041 1.00 0.00 O ATOM 998 CB TYR A 64 1.181 2.433 -10.799 1.00 0.00 C ATOM 999 CG TYR A 64 -0.220 2.816 -10.396 1.00 0.00 C ATOM 1000 CD1 TYR A 64 -1.045 1.879 -9.766 1.00 0.00 C ATOM 1001 CD2 TYR A 64 -0.696 4.107 -10.658 1.00 0.00 C ATOM 1002 CE1 TYR A 64 -2.348 2.231 -9.397 1.00 0.00 C ATOM 1003 CE2 TYR A 64 -2.000 4.459 -10.288 1.00 0.00 C ATOM 1004 CZ TYR A 64 -2.826 3.522 -9.658 1.00 0.00 C ATOM 1005 OH TYR A 64 -4.112 3.869 -9.294 1.00 0.00 O ATOM 0 H TYR A 64 4.083 3.086 -10.155 1.00 0.00 H new ATOM 0 HA TYR A 64 1.560 2.817 -8.699 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.538 3.099 -11.584 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.187 1.424 -11.210 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.677 0.884 -9.564 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.058 4.830 -11.145 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.986 1.507 -8.911 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.368 5.454 -10.489 1.00 0.00 H new ATOM 0 HH TYR A 64 -4.283 4.800 -9.546 1.00 0.00 H new ATOM 1015 N LEU A 65 2.255 0.427 -8.360 1.00 0.00 N ATOM 1016 CA LEU A 65 2.823 -0.916 -8.094 1.00 0.00 C ATOM 1017 C LEU A 65 1.728 -1.960 -8.167 1.00 0.00 C ATOM 1018 O LEU A 65 0.589 -1.667 -8.474 1.00 0.00 O ATOM 1019 CB LEU A 65 3.462 -0.950 -6.711 1.00 0.00 C ATOM 1020 CG LEU A 65 4.343 0.297 -6.541 1.00 0.00 C ATOM 1021 CD1 LEU A 65 3.520 1.404 -5.888 1.00 0.00 C ATOM 1022 CD2 LEU A 65 5.542 -0.016 -5.642 1.00 0.00 C ATOM 0 H LEU A 65 1.502 0.717 -7.736 1.00 0.00 H new ATOM 0 HA LEU A 65 3.582 -1.131 -8.846 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.692 -0.976 -5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.060 -1.854 -6.594 1.00 0.00 H new ATOM 0 HG LEU A 65 4.700 0.612 -7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.139 2.293 -5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.665 1.643 -6.520 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.168 1.068 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.157 0.877 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.188 -0.337 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.136 -0.812 -6.092 1.00 0.00 H new ATOM 1034 N HIS A 66 2.059 -3.185 -7.893 1.00 0.00 N ATOM 1035 CA HIS A 66 1.029 -4.231 -7.967 1.00 0.00 C ATOM 1036 C HIS A 66 1.504 -5.505 -7.271 1.00 0.00 C ATOM 1037 O HIS A 66 2.684 -5.773 -7.161 1.00 0.00 O ATOM 1038 CB HIS A 66 0.760 -4.514 -9.432 1.00 0.00 C ATOM 1039 CG HIS A 66 -0.593 -5.120 -9.569 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -1.601 -4.499 -10.269 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -1.132 -6.272 -9.067 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -2.691 -5.269 -10.169 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -2.462 -6.368 -9.448 1.00 0.00 N ATOM 0 H HIS A 66 2.991 -3.499 -7.624 1.00 0.00 H new ATOM 0 HA HIS A 66 0.121 -3.895 -7.466 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.820 -3.592 -10.011 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.517 -5.190 -9.830 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -1.531 -3.614 -10.772 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.603 -6.996 -8.466 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.643 -5.029 -10.619 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.120 -7.115 -9.226 1.00 0.00 H new ATOM 1051 N LEU A 67 0.578 -6.285 -6.797 1.00 0.00 N ATOM 1052 CA LEU A 67 0.925 -7.548 -6.095 1.00 0.00 C ATOM 1053 C LEU A 67 -0.254 -8.498 -6.170 1.00 0.00 C ATOM 1054 O LEU A 67 -1.379 -8.109 -6.398 1.00 0.00 O ATOM 1055 CB LEU A 67 1.175 -7.245 -4.622 1.00 0.00 C ATOM 1056 CG LEU A 67 1.225 -8.549 -3.813 1.00 0.00 C ATOM 1057 CD1 LEU A 67 2.483 -9.332 -4.167 1.00 0.00 C ATOM 1058 CD2 LEU A 67 1.248 -8.199 -2.328 1.00 0.00 C ATOM 0 H LEU A 67 -0.422 -6.098 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 67 1.808 -7.988 -6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.114 -6.702 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.385 -6.600 -4.237 1.00 0.00 H new ATOM 0 HG LEU A 67 0.352 -9.159 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.511 -10.256 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.476 -9.570 -5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.363 -8.732 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.284 -9.115 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.128 -7.593 -2.111 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.349 -7.638 -2.072 1.00 0.00 H new ATOM 1070 N LYS A 68 0.007 -9.733 -5.922 1.00 0.00 N ATOM 1071 CA LYS A 68 -1.043 -10.739 -5.893 1.00 0.00 C ATOM 1072 C LYS A 68 -0.782 -11.552 -4.669 1.00 0.00 C ATOM 1073 O LYS A 68 0.086 -12.408 -4.693 1.00 0.00 O ATOM 1074 CB LYS A 68 -0.867 -11.655 -7.052 1.00 0.00 C ATOM 1075 CG LYS A 68 -2.116 -12.499 -7.265 1.00 0.00 C ATOM 1076 CD LYS A 68 -2.024 -13.735 -6.366 1.00 0.00 C ATOM 1077 CE LYS A 68 -1.634 -14.980 -7.172 1.00 0.00 C ATOM 1078 NZ LYS A 68 -2.211 -14.908 -8.546 1.00 0.00 N ATOM 0 H LYS A 68 0.943 -10.092 -5.732 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.032 -10.282 -5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.656 -11.076 -7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.008 -12.304 -6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.009 -11.922 -7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.199 -12.796 -8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.289 -13.562 -5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.982 -13.902 -5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.548 -15.059 -7.230 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.993 -15.876 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.162 -15.846 -8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.203 -14.602 -8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.670 -14.226 -9.114 1.00 0.00 H new ATOM 1092 N VAL A 69 -1.462 -11.315 -3.600 1.00 0.00 N ATOM 1093 CA VAL A 69 -1.157 -12.131 -2.424 1.00 0.00 C ATOM 1094 C VAL A 69 -1.931 -13.439 -2.537 1.00 0.00 C ATOM 1095 O VAL A 69 -3.104 -13.449 -2.846 1.00 0.00 O ATOM 1096 CB VAL A 69 -1.534 -11.391 -1.140 1.00 0.00 C ATOM 1097 CG1 VAL A 69 -1.244 -12.282 0.070 1.00 0.00 C ATOM 1098 CG2 VAL A 69 -0.709 -10.107 -1.032 1.00 0.00 C ATOM 0 H VAL A 69 -2.194 -10.613 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.087 -12.335 -2.382 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.595 -11.144 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.513 -11.753 0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.829 -13.199 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.183 -12.530 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.977 -9.578 -0.117 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.352 -10.357 -1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.913 -9.470 -1.892 1.00 0.00 H new ATOM 1108 N PHE A 70 -1.291 -14.549 -2.329 1.00 0.00 N ATOM 1109 CA PHE A 70 -2.022 -15.832 -2.469 1.00 0.00 C ATOM 1110 C PHE A 70 -1.642 -16.790 -1.341 1.00 0.00 C ATOM 1111 O PHE A 70 -0.497 -17.149 -1.180 1.00 0.00 O ATOM 1112 CB PHE A 70 -1.657 -16.449 -3.818 1.00 0.00 C ATOM 1113 CG PHE A 70 -2.237 -17.840 -3.919 1.00 0.00 C ATOM 1114 CD1 PHE A 70 -3.368 -18.184 -3.167 1.00 0.00 C ATOM 1115 CD2 PHE A 70 -1.649 -18.782 -4.770 1.00 0.00 C ATOM 1116 CE1 PHE A 70 -3.910 -19.470 -3.269 1.00 0.00 C ATOM 1117 CE2 PHE A 70 -2.190 -20.069 -4.870 1.00 0.00 C ATOM 1118 CZ PHE A 70 -3.321 -20.413 -4.120 1.00 0.00 C ATOM 0 H PHE A 70 -0.307 -14.625 -2.072 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.095 -15.650 -2.414 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.038 -15.827 -4.628 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.573 -16.488 -3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.821 -17.457 -2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.778 -18.516 -5.350 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.783 -19.735 -2.691 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.735 -20.797 -5.526 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.739 -21.406 -4.198 1.00 0.00 H new ATOM 1128 N LYS A 71 -2.602 -17.223 -0.571 1.00 0.00 N ATOM 1129 CA LYS A 71 -2.295 -18.175 0.531 1.00 0.00 C ATOM 1130 C LYS A 71 -2.385 -19.591 -0.030 1.00 0.00 C ATOM 1131 O LYS A 71 -3.285 -20.344 0.281 1.00 0.00 O ATOM 1132 CB LYS A 71 -3.313 -18.001 1.661 1.00 0.00 C ATOM 1133 CG LYS A 71 -2.592 -17.556 2.934 1.00 0.00 C ATOM 1134 CD LYS A 71 -1.877 -16.229 2.679 1.00 0.00 C ATOM 1135 CE LYS A 71 -2.189 -15.255 3.816 1.00 0.00 C ATOM 1136 NZ LYS A 71 -1.471 -15.685 5.048 1.00 0.00 N ATOM 0 H LYS A 71 -3.583 -16.959 -0.658 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.297 -17.988 0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.063 -17.262 1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.840 -18.939 1.838 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.307 -17.445 3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.873 -18.315 3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.801 -16.391 2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.198 -15.808 1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.885 -14.246 3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.263 -15.225 4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.642 -14.996 5.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.818 -16.620 5.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.451 -15.741 4.854 1.00 0.00 H new ATOM 1150 N SER A 72 -1.465 -19.940 -0.883 1.00 0.00 N ATOM 1151 CA SER A 72 -1.487 -21.289 -1.508 1.00 0.00 C ATOM 1152 C SER A 72 -1.835 -22.359 -0.476 1.00 0.00 C ATOM 1153 O SER A 72 -1.168 -22.527 0.526 1.00 0.00 O ATOM 1154 CB SER A 72 -0.117 -21.592 -2.114 1.00 0.00 C ATOM 1155 OG SER A 72 -0.124 -21.234 -3.490 1.00 0.00 O ATOM 0 H SER A 72 -0.692 -19.343 -1.176 1.00 0.00 H new ATOM 0 HA SER A 72 -2.248 -21.298 -2.288 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.658 -21.037 -1.586 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.117 -22.651 -2.003 1.00 0.00 H new ATOM 0 HG SER A 72 -0.785 -20.526 -3.641 1.00 0.00 H new ATOM 1161 N LEU A 73 -2.875 -23.094 -0.741 1.00 0.00 N ATOM 1162 CA LEU A 73 -3.300 -24.181 0.175 1.00 0.00 C ATOM 1163 C LEU A 73 -4.297 -25.066 -0.582 1.00 0.00 C ATOM 1164 O LEU A 73 -5.433 -25.206 -0.181 1.00 0.00 O ATOM 1165 CB LEU A 73 -3.956 -23.569 1.412 1.00 0.00 C ATOM 1166 CG LEU A 73 -4.675 -24.656 2.206 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -4.239 -24.595 3.671 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -6.180 -24.424 2.109 1.00 0.00 C ATOM 0 H LEU A 73 -3.459 -22.984 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.448 -24.778 0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.202 -23.089 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.663 -22.795 1.115 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.425 -25.637 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.754 -25.372 4.236 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.162 -24.751 3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.490 -23.618 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.704 -25.195 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.424 -23.445 2.520 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.488 -24.466 1.064 1.00 0.00 H new ATOM 1180 N PRO A 74 -3.839 -25.615 -1.684 1.00 0.00 N ATOM 1181 CA PRO A 74 -4.669 -26.473 -2.549 1.00 0.00 C ATOM 1182 C PRO A 74 -4.750 -27.900 -1.992 1.00 0.00 C ATOM 1183 O PRO A 74 -4.573 -28.865 -2.709 1.00 0.00 O ATOM 1184 CB PRO A 74 -3.918 -26.459 -3.885 1.00 0.00 C ATOM 1185 CG PRO A 74 -2.447 -26.114 -3.552 1.00 0.00 C ATOM 1186 CD PRO A 74 -2.455 -25.429 -2.175 1.00 0.00 C ATOM 0 HA PRO A 74 -5.698 -26.124 -2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.988 -27.427 -4.381 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.346 -25.722 -4.564 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.833 -27.014 -3.533 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.023 -25.455 -4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.729 -25.883 -1.500 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.199 -24.372 -2.254 1.00 0.00 H new ATOM 1194 N GLY A 75 -5.020 -28.043 -0.724 1.00 0.00 N ATOM 1195 CA GLY A 75 -5.118 -29.409 -0.132 1.00 0.00 C ATOM 1196 C GLY A 75 -3.749 -29.854 0.387 1.00 0.00 C ATOM 1197 O GLY A 75 -3.650 -30.559 1.372 1.00 0.00 O ATOM 0 H GLY A 75 -5.177 -27.275 -0.072 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -5.843 -29.410 0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.479 -30.114 -0.881 1.00 0.00 H new ATOM 1201 N GLN A 76 -2.691 -29.455 -0.264 1.00 0.00 N ATOM 1202 CA GLN A 76 -1.336 -29.867 0.202 1.00 0.00 C ATOM 1203 C GLN A 76 -0.796 -28.832 1.192 1.00 0.00 C ATOM 1204 O GLN A 76 0.048 -29.129 2.014 1.00 0.00 O ATOM 1205 CB GLN A 76 -0.390 -29.972 -0.996 1.00 0.00 C ATOM 1206 CG GLN A 76 0.844 -30.785 -0.600 1.00 0.00 C ATOM 1207 CD GLN A 76 1.235 -31.715 -1.750 1.00 0.00 C ATOM 1208 OE1 GLN A 76 1.142 -32.920 -1.631 1.00 0.00 O ATOM 1209 NE2 GLN A 76 1.671 -31.201 -2.867 1.00 0.00 N ATOM 0 H GLN A 76 -2.705 -28.864 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.404 -30.837 0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.899 -30.448 -1.834 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.093 -28.977 -1.327 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.671 -30.117 -0.362 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.636 -31.367 0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.749 -30.189 -2.966 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.934 -31.811 -3.641 1.00 0.00 H new ATOM 1218 N ASN A 77 -1.275 -27.620 1.122 1.00 0.00 N ATOM 1219 CA ASN A 77 -0.787 -26.570 2.061 1.00 0.00 C ATOM 1220 C ASN A 77 0.741 -26.534 2.033 1.00 0.00 C ATOM 1221 O ASN A 77 1.401 -27.014 2.934 1.00 0.00 O ATOM 1222 CB ASN A 77 -1.263 -26.895 3.480 1.00 0.00 C ATOM 1223 CG ASN A 77 -0.525 -26.008 4.485 1.00 0.00 C ATOM 1224 OD1 ASN A 77 -0.710 -24.718 4.458 1.00 0.00 O flip ATOM 1225 ND2 ASN A 77 0.226 -26.498 5.307 1.00 0.00 N flip ATOM 0 H ASN A 77 -1.983 -27.311 0.456 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.180 -25.599 1.758 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.338 -26.735 3.559 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.080 -27.946 3.704 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.371 -27.507 5.328 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.711 -25.899 5.975 1.00 0.00 H new ATOM 1232 N GLU A 78 1.311 -25.968 1.003 1.00 0.00 N ATOM 1233 CA GLU A 78 2.796 -25.899 0.914 1.00 0.00 C ATOM 1234 C GLU A 78 3.235 -24.434 0.869 1.00 0.00 C ATOM 1235 O GLU A 78 3.712 -23.949 -0.138 1.00 0.00 O ATOM 1236 CB GLU A 78 3.266 -26.614 -0.355 1.00 0.00 C ATOM 1237 CG GLU A 78 2.938 -28.104 -0.254 1.00 0.00 C ATOM 1238 CD GLU A 78 3.946 -28.908 -1.078 1.00 0.00 C ATOM 1239 OE1 GLU A 78 4.731 -28.292 -1.780 1.00 0.00 O ATOM 1240 OE2 GLU A 78 3.915 -30.124 -0.992 1.00 0.00 O ATOM 0 H GLU A 78 0.810 -25.550 0.219 1.00 0.00 H new ATOM 0 HA GLU A 78 3.236 -26.384 1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.779 -26.182 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.339 -26.475 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.967 -28.423 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.927 -28.290 -0.616 1.00 0.00 H new ATOM 1247 N ASP A 79 3.074 -23.726 1.953 1.00 0.00 N ATOM 1248 CA ASP A 79 3.479 -22.293 1.977 1.00 0.00 C ATOM 1249 C ASP A 79 2.531 -21.479 1.095 1.00 0.00 C ATOM 1250 O ASP A 79 1.737 -22.022 0.353 1.00 0.00 O ATOM 1251 CB ASP A 79 4.908 -22.158 1.450 1.00 0.00 C ATOM 1252 CG ASP A 79 5.782 -21.491 2.516 1.00 0.00 C ATOM 1253 OD1 ASP A 79 5.843 -20.273 2.525 1.00 0.00 O ATOM 1254 OD2 ASP A 79 6.373 -22.211 3.303 1.00 0.00 O ATOM 0 H ASP A 79 2.679 -24.079 2.824 1.00 0.00 H new ATOM 0 HA ASP A 79 3.432 -21.920 3.000 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.309 -23.140 1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.916 -21.566 0.535 1.00 0.00 H new ATOM 1259 N LEU A 80 2.605 -20.179 1.173 1.00 0.00 N ATOM 1260 CA LEU A 80 1.707 -19.332 0.341 1.00 0.00 C ATOM 1261 C LEU A 80 2.300 -19.143 -1.045 1.00 0.00 C ATOM 1262 O LEU A 80 2.926 -20.026 -1.595 1.00 0.00 O ATOM 1263 CB LEU A 80 1.499 -17.978 1.016 1.00 0.00 C ATOM 1264 CG LEU A 80 2.783 -17.165 0.951 1.00 0.00 C ATOM 1265 CD1 LEU A 80 2.436 -15.691 0.739 1.00 0.00 C ATOM 1266 CD2 LEU A 80 3.536 -17.341 2.265 1.00 0.00 C ATOM 0 H LEU A 80 3.248 -19.667 1.777 1.00 0.00 H new ATOM 0 HA LEU A 80 0.742 -19.829 0.241 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.690 -17.437 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.201 -18.121 2.055 1.00 0.00 H new ATOM 0 HG LEU A 80 3.406 -17.504 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.353 -15.104 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.884 -15.578 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.822 -15.339 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.460 -16.764 2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.916 -16.990 3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.771 -18.395 2.411 1.00 0.00 H new ATOM 1278 N VAL A 81 2.073 -18.008 -1.623 1.00 0.00 N ATOM 1279 CA VAL A 81 2.577 -17.752 -2.990 1.00 0.00 C ATOM 1280 C VAL A 81 2.166 -16.337 -3.397 1.00 0.00 C ATOM 1281 O VAL A 81 1.159 -15.823 -2.952 1.00 0.00 O ATOM 1282 CB VAL A 81 1.946 -18.807 -3.911 1.00 0.00 C ATOM 1283 CG1 VAL A 81 1.543 -18.194 -5.259 1.00 0.00 C ATOM 1284 CG2 VAL A 81 2.953 -19.933 -4.155 1.00 0.00 C ATOM 0 H VAL A 81 1.554 -17.237 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 81 3.663 -17.822 -3.052 1.00 0.00 H new ATOM 0 HB VAL A 81 1.051 -19.196 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.099 -18.964 -5.891 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.818 -17.397 -5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.425 -17.785 -5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.508 -20.684 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.847 -19.526 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.222 -20.393 -3.204 1.00 0.00 H new ATOM 1294 N LEU A 82 2.925 -15.705 -4.243 1.00 0.00 N ATOM 1295 CA LEU A 82 2.558 -14.342 -4.668 1.00 0.00 C ATOM 1296 C LEU A 82 2.846 -14.179 -6.141 1.00 0.00 C ATOM 1297 O LEU A 82 3.814 -13.561 -6.538 1.00 0.00 O ATOM 1298 CB LEU A 82 3.345 -13.304 -3.883 1.00 0.00 C ATOM 1299 CG LEU A 82 2.446 -12.763 -2.789 1.00 0.00 C ATOM 1300 CD1 LEU A 82 2.406 -13.750 -1.620 1.00 0.00 C ATOM 1301 CD2 LEU A 82 2.974 -11.413 -2.305 1.00 0.00 C ATOM 0 H LEU A 82 3.781 -16.077 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 82 1.495 -14.193 -4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.242 -13.751 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.673 -12.498 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 82 1.439 -12.632 -3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.759 -13.358 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.018 -14.708 -1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.413 -13.888 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.324 -11.029 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.984 -11.536 -1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.991 -10.709 -3.137 1.00 0.00 H new ATOM 1313 N THR A 83 1.994 -14.705 -6.960 1.00 0.00 N ATOM 1314 CA THR A 83 2.194 -14.553 -8.415 1.00 0.00 C ATOM 1315 C THR A 83 2.173 -13.061 -8.760 1.00 0.00 C ATOM 1316 O THR A 83 2.436 -12.679 -9.884 1.00 0.00 O ATOM 1317 CB THR A 83 1.078 -15.271 -9.165 1.00 0.00 C ATOM 1318 OG1 THR A 83 0.591 -16.347 -8.377 1.00 0.00 O ATOM 1319 CG2 THR A 83 1.617 -15.810 -10.491 1.00 0.00 C ATOM 0 H THR A 83 1.167 -15.234 -6.685 1.00 0.00 H new ATOM 0 HA THR A 83 3.150 -14.987 -8.706 1.00 0.00 H new ATOM 0 HB THR A 83 0.266 -14.571 -9.362 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.128 -16.807 -8.859 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.818 -16.323 -11.027 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.987 -14.983 -11.097 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.430 -16.509 -10.296 1.00 0.00 H new ATOM 1327 N GLY A 84 1.867 -12.199 -7.811 1.00 0.00 N ATOM 1328 CA GLY A 84 1.849 -10.747 -8.135 1.00 0.00 C ATOM 1329 C GLY A 84 2.987 -10.051 -7.403 1.00 0.00 C ATOM 1330 O GLY A 84 3.364 -10.436 -6.315 1.00 0.00 O ATOM 0 H GLY A 84 1.635 -12.440 -6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.951 -10.602 -9.210 1.00 0.00 H new ATOM 0 HA3 GLY A 84 0.894 -10.310 -7.844 1.00 0.00 H new ATOM 1334 N TYR A 85 3.533 -9.028 -7.989 1.00 0.00 N ATOM 1335 CA TYR A 85 4.645 -8.299 -7.330 1.00 0.00 C ATOM 1336 C TYR A 85 5.188 -7.245 -8.294 1.00 0.00 C ATOM 1337 O TYR A 85 5.630 -7.559 -9.382 1.00 0.00 O ATOM 1338 CB TYR A 85 5.757 -9.283 -6.967 1.00 0.00 C ATOM 1339 CG TYR A 85 6.028 -10.195 -8.142 1.00 0.00 C ATOM 1340 CD1 TYR A 85 6.921 -9.801 -9.145 1.00 0.00 C ATOM 1341 CD2 TYR A 85 5.385 -11.437 -8.227 1.00 0.00 C ATOM 1342 CE1 TYR A 85 7.172 -10.647 -10.233 1.00 0.00 C ATOM 1343 CE2 TYR A 85 5.635 -12.282 -9.314 1.00 0.00 C ATOM 1344 CZ TYR A 85 6.529 -11.888 -10.317 1.00 0.00 C ATOM 1345 OH TYR A 85 6.775 -12.722 -11.389 1.00 0.00 O ATOM 0 H TYR A 85 3.256 -8.664 -8.900 1.00 0.00 H new ATOM 0 HA TYR A 85 4.283 -7.816 -6.422 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.663 -8.741 -6.698 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.467 -9.871 -6.096 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.417 -8.844 -9.080 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.696 -11.742 -7.453 1.00 0.00 H new ATOM 0 HE1 TYR A 85 7.861 -10.342 -11.007 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.138 -13.239 -9.379 1.00 0.00 H new ATOM 0 HH TYR A 85 6.249 -13.543 -11.292 1.00 0.00 H new ATOM 1355 N GLN A 86 5.154 -5.996 -7.917 1.00 0.00 N ATOM 1356 CA GLN A 86 5.668 -4.941 -8.842 1.00 0.00 C ATOM 1357 C GLN A 86 6.042 -3.672 -8.071 1.00 0.00 C ATOM 1358 O GLN A 86 5.462 -3.354 -7.051 1.00 0.00 O ATOM 1359 CB GLN A 86 4.591 -4.604 -9.875 1.00 0.00 C ATOM 1360 CG GLN A 86 5.138 -4.866 -11.278 1.00 0.00 C ATOM 1361 CD GLN A 86 6.318 -3.928 -11.538 1.00 0.00 C ATOM 1362 OE1 GLN A 86 6.199 -2.729 -11.386 1.00 0.00 O ATOM 1363 NE2 GLN A 86 7.462 -4.425 -11.922 1.00 0.00 N ATOM 0 H GLN A 86 4.798 -5.661 -7.022 1.00 0.00 H new ATOM 0 HA GLN A 86 6.560 -5.322 -9.339 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.701 -5.209 -9.700 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.291 -3.561 -9.778 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.456 -5.905 -11.370 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.358 -4.704 -12.022 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.563 -5.432 -12.050 1.00 0.00 H new ATOM 0 HE22 GLN A 86 8.255 -3.807 -12.094 1.00 0.00 H new ATOM 1372 N VAL A 87 7.005 -2.939 -8.576 1.00 0.00 N ATOM 1373 CA VAL A 87 7.434 -1.680 -7.909 1.00 0.00 C ATOM 1374 C VAL A 87 6.652 -0.515 -8.520 1.00 0.00 C ATOM 1375 O VAL A 87 5.513 -0.671 -8.892 1.00 0.00 O ATOM 1376 CB VAL A 87 8.939 -1.482 -8.114 1.00 0.00 C ATOM 1377 CG1 VAL A 87 9.212 -0.944 -9.521 1.00 0.00 C ATOM 1378 CG2 VAL A 87 9.461 -0.489 -7.076 1.00 0.00 C ATOM 0 H VAL A 87 7.514 -3.166 -9.430 1.00 0.00 H new ATOM 0 HA VAL A 87 7.234 -1.728 -6.839 1.00 0.00 H new ATOM 0 HB VAL A 87 9.447 -2.439 -7.998 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.285 -0.807 -9.656 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.841 -1.654 -10.260 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.705 0.012 -9.650 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.532 -0.344 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.947 0.465 -7.194 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.277 -0.879 -6.075 1.00 0.00 H new ATOM 1388 N ASP A 88 7.230 0.652 -8.634 1.00 0.00 N ATOM 1389 CA ASP A 88 6.461 1.772 -9.214 1.00 0.00 C ATOM 1390 C ASP A 88 7.285 2.518 -10.273 1.00 0.00 C ATOM 1391 O ASP A 88 8.066 1.926 -10.989 1.00 0.00 O ATOM 1392 CB ASP A 88 6.044 2.728 -8.093 1.00 0.00 C ATOM 1393 CG ASP A 88 7.227 3.618 -7.703 1.00 0.00 C ATOM 1394 OD1 ASP A 88 8.352 3.216 -7.951 1.00 0.00 O ATOM 1395 OD2 ASP A 88 6.987 4.686 -7.165 1.00 0.00 O ATOM 0 H ASP A 88 8.186 0.869 -8.353 1.00 0.00 H new ATOM 0 HA ASP A 88 5.573 1.374 -9.706 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.206 3.344 -8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.703 2.161 -7.227 1.00 0.00 H new ATOM 1400 N LYS A 89 7.084 3.813 -10.380 1.00 0.00 N ATOM 1401 CA LYS A 89 7.812 4.639 -11.393 1.00 0.00 C ATOM 1402 C LYS A 89 6.990 4.674 -12.681 1.00 0.00 C ATOM 1403 O LYS A 89 6.826 5.707 -13.298 1.00 0.00 O ATOM 1404 CB LYS A 89 9.197 4.055 -11.683 1.00 0.00 C ATOM 1405 CG LYS A 89 10.049 5.103 -12.403 1.00 0.00 C ATOM 1406 CD LYS A 89 11.494 4.610 -12.501 1.00 0.00 C ATOM 1407 CE LYS A 89 12.043 4.904 -13.898 1.00 0.00 C ATOM 1408 NZ LYS A 89 13.076 3.888 -14.247 1.00 0.00 N ATOM 0 H LYS A 89 6.434 4.339 -9.796 1.00 0.00 H new ATOM 0 HA LYS A 89 7.944 5.647 -11.000 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.679 3.755 -10.753 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.105 3.160 -12.298 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.649 5.289 -13.400 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.013 6.049 -11.863 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.109 5.102 -11.747 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.538 3.540 -12.300 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.235 4.884 -14.630 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.476 5.904 -13.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.451 4.086 -15.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.850 3.928 -13.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.649 2.940 -14.234 1.00 0.00 H new ATOM 1422 N ASN A 90 6.463 3.549 -13.081 1.00 0.00 N ATOM 1423 CA ASN A 90 5.638 3.505 -14.321 1.00 0.00 C ATOM 1424 C ASN A 90 5.535 2.061 -14.807 1.00 0.00 C ATOM 1425 O ASN A 90 5.569 1.788 -15.991 1.00 0.00 O ATOM 1426 CB ASN A 90 6.279 4.367 -15.413 1.00 0.00 C ATOM 1427 CG ASN A 90 7.805 4.260 -15.330 1.00 0.00 C ATOM 1428 OD1 ASN A 90 8.494 5.260 -15.293 1.00 0.00 O ATOM 1429 ND2 ASN A 90 8.365 3.081 -15.298 1.00 0.00 N ATOM 0 H ASN A 90 6.569 2.656 -12.600 1.00 0.00 H new ATOM 0 HA ASN A 90 4.643 3.893 -14.102 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.935 4.041 -16.395 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.971 5.406 -15.296 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.380 3.000 -15.242 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.787 2.241 -15.329 1.00 0.00 H new ATOM 1436 N LYS A 91 5.401 1.136 -13.902 1.00 0.00 N ATOM 1437 CA LYS A 91 5.284 -0.289 -14.311 1.00 0.00 C ATOM 1438 C LYS A 91 3.829 -0.719 -14.185 1.00 0.00 C ATOM 1439 O LYS A 91 3.241 -1.232 -15.117 1.00 0.00 O ATOM 1440 CB LYS A 91 6.168 -1.157 -13.414 1.00 0.00 C ATOM 1441 CG LYS A 91 7.620 -1.059 -13.881 1.00 0.00 C ATOM 1442 CD LYS A 91 8.336 0.040 -13.096 1.00 0.00 C ATOM 1443 CE LYS A 91 9.846 -0.201 -13.144 1.00 0.00 C ATOM 1444 NZ LYS A 91 10.560 1.040 -12.734 1.00 0.00 N ATOM 0 H LYS A 91 5.367 1.304 -12.897 1.00 0.00 H new ATOM 0 HA LYS A 91 5.611 -0.407 -15.344 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.085 -0.830 -12.378 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.833 -2.194 -13.449 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.125 -2.014 -13.734 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.656 -0.840 -14.948 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.099 1.017 -13.518 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.991 0.047 -12.062 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.115 -1.024 -12.482 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.147 -0.491 -14.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.580 0.848 -12.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.393 1.786 -13.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.206 1.354 -11.808 1.00 0.00 H new ATOM 1458 N ASP A 92 3.230 -0.489 -13.052 1.00 0.00 N ATOM 1459 CA ASP A 92 1.801 -0.859 -12.891 1.00 0.00 C ATOM 1460 C ASP A 92 0.947 0.333 -13.322 1.00 0.00 C ATOM 1461 O ASP A 92 -0.216 0.436 -12.984 1.00 0.00 O ATOM 1462 CB ASP A 92 1.511 -1.198 -11.427 1.00 0.00 C ATOM 1463 CG ASP A 92 0.058 -1.658 -11.289 1.00 0.00 C ATOM 1464 OD1 ASP A 92 -0.352 -2.504 -12.067 1.00 0.00 O ATOM 1465 OD2 ASP A 92 -0.620 -1.156 -10.409 1.00 0.00 O ATOM 0 H ASP A 92 3.667 -0.063 -12.235 1.00 0.00 H new ATOM 0 HA ASP A 92 1.570 -1.731 -13.502 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.186 -1.982 -11.083 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.689 -0.326 -10.798 1.00 0.00 H new ATOM 1470 N ASP A 93 1.526 1.239 -14.068 1.00 0.00 N ATOM 1471 CA ASP A 93 0.759 2.432 -14.524 1.00 0.00 C ATOM 1472 C ASP A 93 -0.498 1.976 -15.267 1.00 0.00 C ATOM 1473 O ASP A 93 -0.482 1.763 -16.463 1.00 0.00 O ATOM 1474 CB ASP A 93 1.635 3.268 -15.461 1.00 0.00 C ATOM 1475 CG ASP A 93 0.772 4.300 -16.190 1.00 0.00 C ATOM 1476 OD1 ASP A 93 -0.304 4.598 -15.698 1.00 0.00 O ATOM 1477 OD2 ASP A 93 1.203 4.776 -17.227 1.00 0.00 O ATOM 0 H ASP A 93 2.496 1.202 -14.380 1.00 0.00 H new ATOM 0 HA ASP A 93 0.470 3.034 -13.662 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.417 3.771 -14.892 1.00 0.00 H new ATOM 0 HB3 ASP A 93 2.133 2.621 -16.183 1.00 0.00 H new