USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 631 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 GLN : amide:sc= -3.27! C(o=-3.3!,f=-3.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -5.21! C(o=-5.2!,f=-7.1!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 15:sc= -3.03! USER MOD Single : A 27 ASN : amide:sc= -0.285 K(o=-0.28,f=-2.3!) USER MOD Single : A 34 TYR OH : rot -29:sc= 0.011 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.727 USER MOD Single : A 47 THR OG1 : rot -109:sc= 1.27 USER MOD Single : A 57 ASN : amide:sc= -0.668 K(o=-0.67,f=-6.6!) USER MOD Single : A 59 ASN : amide:sc= 1.35 K(o=1.3,f=-10!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 151:sc= 1.67 USER MOD Single : A 64 HIS : no HD1:sc= -0.438 X(o=-0.44,f=-0.24) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 78 MET CE :methyl -119:sc= -1.43 (180deg=-2.07!) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 1.935 7.929 -4.908 1.00 0.00 N ATOM 67 CA LEU A 8 0.994 7.241 -4.041 1.00 0.00 C ATOM 68 C LEU A 8 0.837 5.794 -4.513 1.00 0.00 C ATOM 69 O LEU A 8 0.952 4.861 -3.720 1.00 0.00 O ATOM 70 CB LEU A 8 -0.326 8.010 -3.967 1.00 0.00 C ATOM 71 CG LEU A 8 -0.234 9.454 -3.471 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.420 10.282 -3.969 1.00 0.00 C ATOM 73 CD2 LEU A 8 -0.100 9.504 -1.947 1.00 0.00 C ATOM 0 HA LEU A 8 1.373 7.204 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.776 8.016 -4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.005 7.464 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 8 0.668 9.901 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.330 11.304 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.428 10.287 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.349 9.845 -3.601 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.037 10.542 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.970 9.033 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.802 8.973 -1.643 1.00 0.00 H new ATOM 85 N ARG A 9 0.577 5.652 -5.806 1.00 0.00 N ATOM 86 CA ARG A 9 0.403 4.333 -6.392 1.00 0.00 C ATOM 87 C ARG A 9 1.450 3.364 -5.841 1.00 0.00 C ATOM 88 O ARG A 9 1.104 2.343 -5.248 1.00 0.00 O ATOM 89 CB ARG A 9 0.524 4.390 -7.917 1.00 0.00 C ATOM 90 CG ARG A 9 -0.168 3.190 -8.566 1.00 0.00 C ATOM 91 CD ARG A 9 -1.512 3.597 -9.175 1.00 0.00 C ATOM 92 NE ARG A 9 -1.543 3.249 -10.613 1.00 0.00 N ATOM 93 CZ ARG A 9 -1.060 4.032 -11.587 1.00 0.00 C ATOM 94 NH1 ARG A 9 -0.505 5.213 -11.282 1.00 0.00 N ATOM 95 NH2 ARG A 9 -1.130 3.633 -12.865 1.00 0.00 N ATOM 0 H ARG A 9 0.483 6.427 -6.462 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.595 3.982 -6.129 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.080 5.314 -8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.576 4.406 -8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.474 2.770 -9.340 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.323 2.409 -7.822 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.325 3.092 -8.653 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.668 4.668 -9.048 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.958 2.356 -10.880 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.451 5.515 -10.309 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.137 5.810 -12.023 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.551 2.733 -13.096 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.762 4.229 -13.606 1.00 0.00 H new ATOM 109 N GLU A 10 2.709 3.717 -6.055 1.00 0.00 N ATOM 110 CA GLU A 10 3.808 2.890 -5.586 1.00 0.00 C ATOM 111 C GLU A 10 3.760 2.758 -4.062 1.00 0.00 C ATOM 112 O GLU A 10 3.964 1.671 -3.524 1.00 0.00 O ATOM 113 CB GLU A 10 5.154 3.456 -6.045 1.00 0.00 C ATOM 114 CG GLU A 10 5.695 2.675 -7.244 1.00 0.00 C ATOM 115 CD GLU A 10 6.445 1.422 -6.789 1.00 0.00 C ATOM 116 OE1 GLU A 10 5.775 0.374 -6.663 1.00 0.00 O ATOM 117 OE2 GLU A 10 7.672 1.539 -6.577 1.00 0.00 O ATOM 0 H GLU A 10 2.993 4.564 -6.547 1.00 0.00 H new ATOM 0 HA GLU A 10 3.701 1.896 -6.021 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.039 4.506 -6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.870 3.412 -5.224 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.872 2.392 -7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.362 3.311 -7.826 1.00 0.00 H new ATOM 124 N GLN A 11 3.489 3.880 -3.411 1.00 0.00 N ATOM 125 CA GLN A 11 3.413 3.902 -1.960 1.00 0.00 C ATOM 126 C GLN A 11 2.416 2.852 -1.466 1.00 0.00 C ATOM 127 O GLN A 11 2.715 2.093 -0.546 1.00 0.00 O ATOM 128 CB GLN A 11 3.038 5.296 -1.453 1.00 0.00 C ATOM 129 CG GLN A 11 4.059 6.339 -1.911 1.00 0.00 C ATOM 130 CD GLN A 11 3.462 7.748 -1.864 1.00 0.00 C ATOM 131 OE1 GLN A 11 3.556 8.521 -2.804 1.00 0.00 O ATOM 132 NE2 GLN A 11 2.845 8.036 -0.723 1.00 0.00 N ATOM 0 H GLN A 11 3.320 4.779 -3.861 1.00 0.00 H new ATOM 0 HA GLN A 11 4.397 3.658 -1.559 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.048 5.566 -1.820 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.984 5.289 -0.364 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.942 6.293 -1.274 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.386 6.112 -2.926 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.803 7.342 0.023 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.413 8.951 -0.594 1.00 0.00 H new ATOM 141 N VAL A 12 1.252 2.844 -2.098 1.00 0.00 N ATOM 142 CA VAL A 12 0.209 1.900 -1.733 1.00 0.00 C ATOM 143 C VAL A 12 0.683 0.478 -2.042 1.00 0.00 C ATOM 144 O VAL A 12 0.405 -0.451 -1.286 1.00 0.00 O ATOM 145 CB VAL A 12 -1.097 2.262 -2.442 1.00 0.00 C ATOM 146 CG1 VAL A 12 -2.183 1.223 -2.157 1.00 0.00 C ATOM 147 CG2 VAL A 12 -1.564 3.665 -2.048 1.00 0.00 C ATOM 0 H VAL A 12 1.008 3.476 -2.860 1.00 0.00 H new ATOM 0 HA VAL A 12 0.006 1.950 -0.663 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.906 2.261 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.101 1.505 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.853 0.246 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.370 1.177 -1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.494 3.898 -2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.728 3.705 -0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.802 4.393 -2.326 1.00 0.00 H new ATOM 157 N LYS A 13 1.391 0.354 -3.156 1.00 0.00 N ATOM 158 CA LYS A 13 1.906 -0.938 -3.575 1.00 0.00 C ATOM 159 C LYS A 13 2.746 -1.537 -2.446 1.00 0.00 C ATOM 160 O LYS A 13 2.466 -2.639 -1.976 1.00 0.00 O ATOM 161 CB LYS A 13 2.659 -0.811 -4.900 1.00 0.00 C ATOM 162 CG LYS A 13 1.694 -0.861 -6.086 1.00 0.00 C ATOM 163 CD LYS A 13 2.418 -0.549 -7.397 1.00 0.00 C ATOM 164 CE LYS A 13 1.571 0.360 -8.289 1.00 0.00 C ATOM 165 NZ LYS A 13 1.993 0.239 -9.702 1.00 0.00 N ATOM 0 H LYS A 13 1.620 1.127 -3.781 1.00 0.00 H new ATOM 0 HA LYS A 13 1.086 -1.631 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.215 0.126 -4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.389 -1.616 -4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.237 -1.849 -6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.887 -0.145 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.373 -0.068 -7.184 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.640 -1.477 -7.924 1.00 0.00 H new ATOM 0 HE2 LYS A 13 0.518 0.094 -8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.669 1.395 -7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 1.408 0.863 -10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.992 0.515 -9.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.876 -0.746 -10.016 1.00 0.00 H new ATOM 179 N GLU A 14 3.760 -0.786 -2.042 1.00 0.00 N ATOM 180 CA GLU A 14 4.643 -1.230 -0.976 1.00 0.00 C ATOM 181 C GLU A 14 3.848 -1.464 0.309 1.00 0.00 C ATOM 182 O GLU A 14 4.188 -2.340 1.104 1.00 0.00 O ATOM 183 CB GLU A 14 5.772 -0.223 -0.746 1.00 0.00 C ATOM 184 CG GLU A 14 7.028 -0.620 -1.526 1.00 0.00 C ATOM 185 CD GLU A 14 8.225 -0.791 -0.590 1.00 0.00 C ATOM 186 OE1 GLU A 14 7.999 -1.286 0.536 1.00 0.00 O ATOM 187 OE2 GLU A 14 9.339 -0.424 -1.021 1.00 0.00 O ATOM 0 H GLU A 14 3.990 0.127 -2.434 1.00 0.00 H new ATOM 0 HA GLU A 14 5.097 -2.174 -1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.447 0.770 -1.055 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.003 -0.167 0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.847 -1.551 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.252 0.142 -2.273 1.00 0.00 H new ATOM 194 N LEU A 15 2.803 -0.666 0.474 1.00 0.00 N ATOM 195 CA LEU A 15 1.955 -0.777 1.651 1.00 0.00 C ATOM 196 C LEU A 15 1.370 -2.189 1.722 1.00 0.00 C ATOM 197 O LEU A 15 1.712 -2.962 2.615 1.00 0.00 O ATOM 198 CB LEU A 15 0.898 0.328 1.654 1.00 0.00 C ATOM 199 CG LEU A 15 -0.411 0.002 2.376 1.00 0.00 C ATOM 200 CD1 LEU A 15 -0.213 -0.001 3.894 1.00 0.00 C ATOM 201 CD2 LEU A 15 -1.527 0.956 1.946 1.00 0.00 C ATOM 0 H LEU A 15 2.524 0.060 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 15 2.540 -0.629 2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.331 1.217 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.666 0.584 0.620 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.719 -1.003 2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.158 -0.235 4.384 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.531 -0.751 4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.130 0.982 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.446 0.702 2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.242 1.981 2.185 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.689 0.866 0.872 1.00 0.00 H new ATOM 213 N PHE A 16 0.498 -2.482 0.768 1.00 0.00 N ATOM 214 CA PHE A 16 -0.138 -3.787 0.711 1.00 0.00 C ATOM 215 C PHE A 16 0.902 -4.907 0.774 1.00 0.00 C ATOM 216 O PHE A 16 0.669 -5.940 1.401 1.00 0.00 O ATOM 217 CB PHE A 16 -0.877 -3.867 -0.627 1.00 0.00 C ATOM 218 CG PHE A 16 -2.240 -3.172 -0.629 1.00 0.00 C ATOM 219 CD1 PHE A 16 -3.136 -3.431 0.362 1.00 0.00 C ATOM 220 CD2 PHE A 16 -2.555 -2.296 -1.620 1.00 0.00 C ATOM 221 CE1 PHE A 16 -4.401 -2.786 0.360 1.00 0.00 C ATOM 222 CE2 PHE A 16 -3.820 -1.652 -1.621 1.00 0.00 C ATOM 223 CZ PHE A 16 -4.717 -1.910 -0.631 1.00 0.00 C ATOM 0 H PHE A 16 0.217 -1.838 0.029 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.815 -3.908 1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.253 -3.422 -1.402 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.015 -4.915 -0.892 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.885 -4.126 1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.843 -2.090 -2.406 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.113 -2.991 1.146 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.071 -0.957 -2.408 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.679 -1.419 -0.632 1.00 0.00 H new ATOM 233 N ASN A 17 2.026 -4.664 0.118 1.00 0.00 N ATOM 234 CA ASN A 17 3.103 -5.640 0.091 1.00 0.00 C ATOM 235 C ASN A 17 3.723 -5.747 1.486 1.00 0.00 C ATOM 236 O ASN A 17 4.062 -6.840 1.936 1.00 0.00 O ATOM 237 CB ASN A 17 4.204 -5.220 -0.885 1.00 0.00 C ATOM 238 CG ASN A 17 3.667 -5.139 -2.315 1.00 0.00 C ATOM 239 OD1 ASN A 17 2.484 -4.963 -2.553 1.00 0.00 O ATOM 240 ND2 ASN A 17 4.601 -5.277 -3.252 1.00 0.00 N ATOM 0 H ASN A 17 2.215 -3.806 -0.399 1.00 0.00 H new ATOM 0 HA ASN A 17 2.685 -6.595 -0.228 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.608 -4.252 -0.589 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.026 -5.935 -0.841 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.344 -5.238 -4.238 1.00 0.00 H new ATOM 0 HD22 ASN A 17 5.575 -5.422 -2.984 1.00 0.00 H new ATOM 247 N GLU A 18 3.852 -4.597 2.131 1.00 0.00 N ATOM 248 CA GLU A 18 4.425 -4.547 3.465 1.00 0.00 C ATOM 249 C GLU A 18 3.560 -5.344 4.444 1.00 0.00 C ATOM 250 O GLU A 18 4.075 -6.141 5.226 1.00 0.00 O ATOM 251 CB GLU A 18 4.596 -3.101 3.935 1.00 0.00 C ATOM 252 CG GLU A 18 5.740 -2.413 3.187 1.00 0.00 C ATOM 253 CD GLU A 18 6.997 -2.339 4.056 1.00 0.00 C ATOM 254 OE1 GLU A 18 7.123 -1.335 4.788 1.00 0.00 O ATOM 255 OE2 GLU A 18 7.803 -3.291 3.968 1.00 0.00 O ATOM 0 H GLU A 18 3.569 -3.692 1.754 1.00 0.00 H new ATOM 0 HA GLU A 18 5.415 -5.002 3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.669 -2.551 3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.795 -3.084 5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.960 -2.959 2.269 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.436 -1.408 2.895 1.00 0.00 H new ATOM 262 N LYS A 19 2.260 -5.100 4.369 1.00 0.00 N ATOM 263 CA LYS A 19 1.319 -5.784 5.239 1.00 0.00 C ATOM 264 C LYS A 19 1.467 -7.296 5.054 1.00 0.00 C ATOM 265 O LYS A 19 1.635 -8.030 6.026 1.00 0.00 O ATOM 266 CB LYS A 19 -0.103 -5.271 5.000 1.00 0.00 C ATOM 267 CG LYS A 19 -0.223 -3.793 5.377 1.00 0.00 C ATOM 268 CD LYS A 19 -0.254 -3.616 6.896 1.00 0.00 C ATOM 269 CE LYS A 19 0.068 -2.172 7.287 1.00 0.00 C ATOM 270 NZ LYS A 19 0.996 -2.142 8.440 1.00 0.00 N ATOM 0 H LYS A 19 1.836 -4.438 3.719 1.00 0.00 H new ATOM 0 HA LYS A 19 1.539 -5.567 6.284 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.371 -5.406 3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.809 -5.858 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.617 -3.238 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.130 -3.375 4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.238 -3.889 7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.466 -4.291 7.359 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.514 -1.650 6.440 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.851 -1.643 7.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.204 -1.155 8.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.557 -2.622 9.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.880 -2.628 8.187 1.00 0.00 H new ATOM 284 N TYR A 20 1.397 -7.716 3.800 1.00 0.00 N ATOM 285 CA TYR A 20 1.521 -9.127 3.474 1.00 0.00 C ATOM 286 C TYR A 20 2.724 -9.749 4.186 1.00 0.00 C ATOM 287 O TYR A 20 2.599 -10.790 4.829 1.00 0.00 O ATOM 288 CB TYR A 20 1.747 -9.193 1.963 1.00 0.00 C ATOM 289 CG TYR A 20 1.188 -10.455 1.304 1.00 0.00 C ATOM 290 CD1 TYR A 20 -0.116 -10.838 1.542 1.00 0.00 C ATOM 291 CD2 TYR A 20 1.988 -11.211 0.472 1.00 0.00 C ATOM 292 CE1 TYR A 20 -0.643 -12.027 0.924 1.00 0.00 C ATOM 293 CE2 TYR A 20 1.461 -12.400 -0.147 1.00 0.00 C ATOM 294 CZ TYR A 20 0.173 -12.749 0.109 1.00 0.00 C ATOM 295 OH TYR A 20 -0.325 -13.872 -0.477 1.00 0.00 O ATOM 0 H TYR A 20 1.256 -7.104 2.996 1.00 0.00 H new ATOM 0 HA TYR A 20 0.631 -9.673 3.787 1.00 0.00 H new ATOM 0 HB2 TYR A 20 1.288 -8.320 1.499 1.00 0.00 H new ATOM 0 HB3 TYR A 20 2.817 -9.135 1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.742 -10.245 2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.009 -10.911 0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.662 -12.338 1.103 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.076 -13.001 -0.800 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.302 -13.873 -0.404 1.00 0.00 H new ATOM 305 N GLY A 21 3.863 -9.086 4.047 1.00 0.00 N ATOM 306 CA GLY A 21 5.086 -9.561 4.668 1.00 0.00 C ATOM 307 C GLY A 21 4.880 -9.817 6.162 1.00 0.00 C ATOM 308 O GLY A 21 5.117 -10.923 6.646 1.00 0.00 O ATOM 0 H GLY A 21 3.964 -8.223 3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.413 -10.479 4.180 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.878 -8.826 4.527 1.00 0.00 H new ATOM 312 N GLU A 22 4.440 -8.774 6.853 1.00 0.00 N ATOM 313 CA GLU A 22 4.199 -8.871 8.281 1.00 0.00 C ATOM 314 C GLU A 22 3.196 -9.988 8.576 1.00 0.00 C ATOM 315 O GLU A 22 3.354 -10.730 9.545 1.00 0.00 O ATOM 316 CB GLU A 22 3.714 -7.535 8.848 1.00 0.00 C ATOM 317 CG GLU A 22 4.639 -6.392 8.427 1.00 0.00 C ATOM 318 CD GLU A 22 4.790 -5.366 9.552 1.00 0.00 C ATOM 319 OE1 GLU A 22 5.401 -5.734 10.578 1.00 0.00 O ATOM 320 OE2 GLU A 22 4.290 -4.236 9.360 1.00 0.00 O ATOM 0 H GLU A 22 4.245 -7.858 6.449 1.00 0.00 H new ATOM 0 HA GLU A 22 5.141 -9.116 8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.701 -7.335 8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.672 -7.591 9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.618 -6.791 8.160 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.240 -5.905 7.537 1.00 0.00 H new ATOM 327 N ALA A 23 2.185 -10.072 7.723 1.00 0.00 N ATOM 328 CA ALA A 23 1.156 -11.086 7.880 1.00 0.00 C ATOM 329 C ALA A 23 1.781 -12.472 7.701 1.00 0.00 C ATOM 330 O ALA A 23 1.420 -13.415 8.403 1.00 0.00 O ATOM 331 CB ALA A 23 0.025 -10.824 6.884 1.00 0.00 C ATOM 0 H ALA A 23 2.057 -9.455 6.921 1.00 0.00 H new ATOM 0 HA ALA A 23 0.725 -11.045 8.881 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.747 -11.585 7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.404 -9.840 7.071 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.419 -10.861 5.868 1.00 0.00 H new ATOM 337 N LEU A 24 2.707 -12.551 6.757 1.00 0.00 N ATOM 338 CA LEU A 24 3.385 -13.806 6.477 1.00 0.00 C ATOM 339 C LEU A 24 4.318 -14.147 7.639 1.00 0.00 C ATOM 340 O LEU A 24 4.880 -15.240 7.689 1.00 0.00 O ATOM 341 CB LEU A 24 4.089 -13.742 5.120 1.00 0.00 C ATOM 342 CG LEU A 24 3.183 -13.814 3.889 1.00 0.00 C ATOM 343 CD1 LEU A 24 3.711 -12.918 2.766 1.00 0.00 C ATOM 344 CD2 LEU A 24 2.997 -15.261 3.429 1.00 0.00 C ATOM 0 H LEU A 24 3.004 -11.767 6.176 1.00 0.00 H new ATOM 0 HA LEU A 24 2.664 -14.620 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.660 -12.814 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.807 -14.561 5.067 1.00 0.00 H new ATOM 0 HG LEU A 24 2.199 -13.436 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.049 -12.988 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.749 -11.885 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.712 -13.242 2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.349 -15.284 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.966 -15.689 3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.543 -15.842 4.231 1.00 0.00 H new ATOM 356 N GLY A 25 4.456 -13.190 8.546 1.00 0.00 N ATOM 357 CA GLY A 25 5.312 -13.376 9.705 1.00 0.00 C ATOM 358 C GLY A 25 6.778 -13.117 9.351 1.00 0.00 C ATOM 359 O GLY A 25 7.674 -13.433 10.133 1.00 0.00 O ATOM 0 H GLY A 25 3.989 -12.284 8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.002 -12.701 10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.200 -14.391 10.085 1.00 0.00 H new ATOM 363 N LEU A 26 6.976 -12.545 8.173 1.00 0.00 N ATOM 364 CA LEU A 26 8.319 -12.240 7.706 1.00 0.00 C ATOM 365 C LEU A 26 8.704 -10.831 8.162 1.00 0.00 C ATOM 366 O LEU A 26 7.928 -10.160 8.839 1.00 0.00 O ATOM 367 CB LEU A 26 8.419 -12.445 6.193 1.00 0.00 C ATOM 368 CG LEU A 26 7.669 -13.653 5.629 1.00 0.00 C ATOM 369 CD1 LEU A 26 7.900 -13.788 4.123 1.00 0.00 C ATOM 370 CD2 LEU A 26 8.043 -14.932 6.382 1.00 0.00 C ATOM 0 H LEU A 26 6.230 -12.285 7.528 1.00 0.00 H new ATOM 0 HA LEU A 26 9.041 -12.927 8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.046 -11.548 5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.472 -12.540 5.928 1.00 0.00 H new ATOM 0 HG LEU A 26 6.601 -13.491 5.778 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.356 -14.655 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.544 -12.890 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.965 -13.916 3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.496 -15.775 5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.114 -15.110 6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.786 -14.822 7.436 1.00 0.00 H new ATOM 382 N ASN A 27 9.905 -10.426 7.773 1.00 0.00 N ATOM 383 CA ASN A 27 10.403 -9.110 8.135 1.00 0.00 C ATOM 384 C ASN A 27 10.690 -8.311 6.861 1.00 0.00 C ATOM 385 O ASN A 27 11.475 -7.365 6.881 1.00 0.00 O ATOM 386 CB ASN A 27 11.706 -9.214 8.929 1.00 0.00 C ATOM 387 CG ASN A 27 11.510 -8.732 10.368 1.00 0.00 C ATOM 388 OD1 ASN A 27 10.574 -8.018 10.689 1.00 0.00 O ATOM 389 ND2 ASN A 27 12.442 -9.162 11.215 1.00 0.00 N ATOM 0 H ASN A 27 10.547 -10.986 7.211 1.00 0.00 H new ATOM 0 HA ASN A 27 9.646 -8.619 8.746 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.053 -10.247 8.932 1.00 0.00 H new ATOM 0 HB3 ASN A 27 12.480 -8.619 8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.399 -8.896 12.199 1.00 0.00 H new ATOM 0 HD22 ASN A 27 13.199 -9.758 10.880 1.00 0.00 H new ATOM 396 N ARG A 28 10.036 -8.722 5.783 1.00 0.00 N ATOM 397 CA ARG A 28 10.211 -8.056 4.504 1.00 0.00 C ATOM 398 C ARG A 28 8.876 -7.977 3.761 1.00 0.00 C ATOM 399 O ARG A 28 7.995 -8.811 3.968 1.00 0.00 O ATOM 400 CB ARG A 28 11.229 -8.795 3.633 1.00 0.00 C ATOM 401 CG ARG A 28 10.980 -10.305 3.661 1.00 0.00 C ATOM 402 CD ARG A 28 12.032 -11.049 2.835 1.00 0.00 C ATOM 403 NE ARG A 28 12.590 -12.172 3.621 1.00 0.00 N ATOM 404 CZ ARG A 28 13.418 -13.100 3.121 1.00 0.00 C ATOM 405 NH1 ARG A 28 13.790 -13.043 1.835 1.00 0.00 N ATOM 406 NH2 ARG A 28 13.875 -14.083 3.907 1.00 0.00 N ATOM 0 H ARG A 28 9.385 -9.507 5.770 1.00 0.00 H new ATOM 0 HA ARG A 28 10.582 -7.050 4.701 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.167 -8.431 2.607 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.238 -8.582 3.986 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.002 -10.662 4.691 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.986 -10.521 3.270 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.585 -11.425 1.915 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.830 -10.365 2.545 1.00 0.00 H new ATOM 0 HE ARG A 28 12.328 -12.244 4.604 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.443 -12.293 1.237 1.00 0.00 H new ATOM 0 HH12 ARG A 28 14.420 -13.749 1.455 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.593 -14.126 4.886 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.505 -14.789 3.526 1.00 0.00 H new ATOM 420 N PRO A 29 8.765 -6.940 2.888 1.00 0.00 N ATOM 421 CA PRO A 29 7.552 -6.741 2.113 1.00 0.00 C ATOM 422 C PRO A 29 7.457 -7.756 0.972 1.00 0.00 C ATOM 423 O PRO A 29 8.443 -8.018 0.286 1.00 0.00 O ATOM 424 CB PRO A 29 7.628 -5.303 1.624 1.00 0.00 C ATOM 425 CG PRO A 29 9.089 -4.899 1.750 1.00 0.00 C ATOM 426 CD PRO A 29 9.786 -5.934 2.617 1.00 0.00 C ATOM 0 HA PRO A 29 6.648 -6.901 2.700 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.288 -5.223 0.592 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.989 -4.652 2.222 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.557 -4.847 0.767 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.174 -3.908 2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 29 10.643 -6.369 2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.159 -5.490 3.540 1.00 0.00 H new ATOM 434 N VAL A 30 6.260 -8.300 0.805 1.00 0.00 N ATOM 435 CA VAL A 30 6.024 -9.281 -0.240 1.00 0.00 C ATOM 436 C VAL A 30 4.782 -8.880 -1.038 1.00 0.00 C ATOM 437 O VAL A 30 3.796 -8.415 -0.468 1.00 0.00 O ATOM 438 CB VAL A 30 5.916 -10.681 0.369 1.00 0.00 C ATOM 439 CG1 VAL A 30 5.452 -11.699 -0.674 1.00 0.00 C ATOM 440 CG2 VAL A 30 7.243 -11.107 1.001 1.00 0.00 C ATOM 0 H VAL A 30 5.444 -8.080 1.376 1.00 0.00 H new ATOM 0 HA VAL A 30 6.864 -9.308 -0.935 1.00 0.00 H new ATOM 0 HB VAL A 30 5.165 -10.646 1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.384 -12.685 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.473 -11.408 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.168 -11.730 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.139 -12.105 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.022 -11.116 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.514 -10.403 1.788 1.00 0.00 H new ATOM 450 N LEU A 31 4.869 -9.074 -2.346 1.00 0.00 N ATOM 451 CA LEU A 31 3.765 -8.738 -3.228 1.00 0.00 C ATOM 452 C LEU A 31 2.506 -9.474 -2.766 1.00 0.00 C ATOM 453 O LEU A 31 2.594 -10.483 -2.068 1.00 0.00 O ATOM 454 CB LEU A 31 4.139 -9.017 -4.686 1.00 0.00 C ATOM 455 CG LEU A 31 4.872 -7.891 -5.418 1.00 0.00 C ATOM 456 CD1 LEU A 31 5.716 -8.443 -6.569 1.00 0.00 C ATOM 457 CD2 LEU A 31 3.893 -6.814 -5.888 1.00 0.00 C ATOM 0 H LEU A 31 5.688 -9.460 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 31 3.549 -7.671 -3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.764 -9.910 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.227 -9.248 -5.236 1.00 0.00 H new ATOM 0 HG LEU A 31 5.558 -7.417 -4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.226 -7.622 -7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.454 -9.142 -6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.070 -8.958 -7.279 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.440 -6.026 -6.405 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.165 -7.256 -6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.376 -6.392 -5.027 1.00 0.00 H new ATOM 469 N VAL A 32 1.364 -8.939 -3.172 1.00 0.00 N ATOM 470 CA VAL A 32 0.089 -9.532 -2.807 1.00 0.00 C ATOM 471 C VAL A 32 -0.510 -10.235 -4.027 1.00 0.00 C ATOM 472 O VAL A 32 -0.779 -9.598 -5.044 1.00 0.00 O ATOM 473 CB VAL A 32 -0.836 -8.465 -2.219 1.00 0.00 C ATOM 474 CG1 VAL A 32 -2.259 -9.003 -2.051 1.00 0.00 C ATOM 475 CG2 VAL A 32 -0.289 -7.937 -0.891 1.00 0.00 C ATOM 0 H VAL A 32 1.295 -8.101 -3.750 1.00 0.00 H new ATOM 0 HA VAL A 32 0.227 -10.286 -2.032 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.874 -7.632 -2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.895 -8.224 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.650 -9.307 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.246 -9.862 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.965 -7.180 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.206 -8.758 -0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.695 -7.496 -1.052 1.00 0.00 H new ATOM 485 N PRO A 33 -0.706 -11.573 -3.882 1.00 0.00 N ATOM 486 CA PRO A 33 -1.267 -12.369 -4.961 1.00 0.00 C ATOM 487 C PRO A 33 -2.772 -12.128 -5.093 1.00 0.00 C ATOM 488 O PRO A 33 -3.568 -13.052 -4.939 1.00 0.00 O ATOM 489 CB PRO A 33 -0.924 -13.806 -4.607 1.00 0.00 C ATOM 490 CG PRO A 33 -0.595 -13.804 -3.124 1.00 0.00 C ATOM 491 CD PRO A 33 -0.399 -12.360 -2.692 1.00 0.00 C ATOM 0 HA PRO A 33 -0.859 -12.105 -5.937 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.761 -14.471 -4.820 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.077 -14.161 -5.194 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.400 -14.267 -2.554 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.307 -14.386 -2.932 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.060 -12.101 -1.865 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.622 -12.183 -2.353 1.00 0.00 H new ATOM 499 N TYR A 34 -3.117 -10.880 -5.378 1.00 0.00 N ATOM 500 CA TYR A 34 -4.512 -10.507 -5.533 1.00 0.00 C ATOM 501 C TYR A 34 -5.259 -11.521 -6.400 1.00 0.00 C ATOM 502 O TYR A 34 -6.397 -11.881 -6.101 1.00 0.00 O ATOM 503 CB TYR A 34 -4.509 -9.152 -6.243 1.00 0.00 C ATOM 504 CG TYR A 34 -3.713 -8.068 -5.513 1.00 0.00 C ATOM 505 CD1 TYR A 34 -4.263 -7.424 -4.424 1.00 0.00 C ATOM 506 CD2 TYR A 34 -2.445 -7.734 -5.944 1.00 0.00 C ATOM 507 CE1 TYR A 34 -3.514 -6.403 -3.736 1.00 0.00 C ATOM 508 CE2 TYR A 34 -1.696 -6.714 -5.257 1.00 0.00 C ATOM 509 CZ TYR A 34 -2.268 -6.099 -4.187 1.00 0.00 C ATOM 510 OH TYR A 34 -1.561 -5.135 -3.538 1.00 0.00 O ATOM 0 H TYR A 34 -2.454 -10.115 -5.505 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.009 -10.471 -4.564 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.097 -9.279 -7.244 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.538 -8.814 -6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.255 -7.685 -4.087 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.015 -8.238 -6.797 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.933 -5.891 -2.882 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.703 -6.443 -5.584 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.180 -4.488 -3.140 1.00 0.00 H new ATOM 520 N LYS A 35 -4.589 -11.957 -7.456 1.00 0.00 N ATOM 521 CA LYS A 35 -5.174 -12.923 -8.369 1.00 0.00 C ATOM 522 C LYS A 35 -5.703 -14.116 -7.570 1.00 0.00 C ATOM 523 O LYS A 35 -6.838 -14.548 -7.769 1.00 0.00 O ATOM 524 CB LYS A 35 -4.171 -13.309 -9.458 1.00 0.00 C ATOM 525 CG LYS A 35 -4.789 -13.160 -10.850 1.00 0.00 C ATOM 526 CD LYS A 35 -4.418 -14.345 -11.744 1.00 0.00 C ATOM 527 CE LYS A 35 -5.667 -14.981 -12.357 1.00 0.00 C ATOM 528 NZ LYS A 35 -5.929 -14.419 -13.700 1.00 0.00 N ATOM 0 H LYS A 35 -3.645 -11.658 -7.700 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.024 -12.486 -8.893 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.284 -12.680 -9.380 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.845 -14.338 -9.309 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.873 -13.090 -10.765 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.444 -12.233 -11.308 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.749 -14.011 -12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.875 -15.089 -11.161 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.535 -16.061 -12.428 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.526 -14.807 -11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.780 -14.862 -14.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.076 -13.392 -13.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.116 -14.607 -14.320 1.00 0.00 H new ATOM 542 N LEU A 36 -4.855 -14.617 -6.684 1.00 0.00 N ATOM 543 CA LEU A 36 -5.222 -15.751 -5.854 1.00 0.00 C ATOM 544 C LEU A 36 -6.320 -15.329 -4.875 1.00 0.00 C ATOM 545 O LEU A 36 -7.438 -15.835 -4.934 1.00 0.00 O ATOM 546 CB LEU A 36 -3.985 -16.341 -5.174 1.00 0.00 C ATOM 547 CG LEU A 36 -2.999 -17.069 -6.090 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.703 -17.401 -5.346 1.00 0.00 C ATOM 549 CD2 LEU A 36 -3.640 -18.312 -6.708 1.00 0.00 C ATOM 0 H LEU A 36 -3.914 -14.258 -6.523 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.633 -16.553 -6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.453 -15.535 -4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.316 -17.037 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.737 -16.401 -6.911 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.019 -17.918 -6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.239 -16.479 -4.995 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.927 -18.042 -4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.918 -18.811 -7.354 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.949 -18.994 -5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.511 -18.019 -7.295 1.00 0.00 H new ATOM 561 N ILE A 37 -5.960 -14.402 -3.997 1.00 0.00 N ATOM 562 CA ILE A 37 -6.900 -13.906 -3.008 1.00 0.00 C ATOM 563 C ILE A 37 -8.263 -13.689 -3.667 1.00 0.00 C ATOM 564 O ILE A 37 -9.299 -13.958 -3.062 1.00 0.00 O ATOM 565 CB ILE A 37 -6.344 -12.656 -2.321 1.00 0.00 C ATOM 566 CG1 ILE A 37 -5.052 -12.973 -1.566 1.00 0.00 C ATOM 567 CG2 ILE A 37 -7.396 -12.015 -1.413 1.00 0.00 C ATOM 568 CD1 ILE A 37 -4.012 -11.871 -1.771 1.00 0.00 C ATOM 0 H ILE A 37 -5.031 -13.983 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.043 -14.642 -2.217 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.095 -11.926 -3.091 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.266 -13.083 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.650 -13.926 -1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.975 -11.129 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.264 -11.730 -2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.699 -12.729 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.103 -12.122 -1.223 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.782 -11.780 -2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.408 -10.924 -1.403 1.00 0.00 H new ATOM 580 N ARG A 38 -8.218 -13.207 -4.901 1.00 0.00 N ATOM 581 CA ARG A 38 -9.437 -12.952 -5.649 1.00 0.00 C ATOM 582 C ARG A 38 -10.274 -14.228 -5.750 1.00 0.00 C ATOM 583 O ARG A 38 -11.409 -14.269 -5.275 1.00 0.00 O ATOM 584 CB ARG A 38 -9.122 -12.444 -7.058 1.00 0.00 C ATOM 585 CG ARG A 38 -10.400 -12.037 -7.792 1.00 0.00 C ATOM 586 CD ARG A 38 -10.655 -10.533 -7.656 1.00 0.00 C ATOM 587 NE ARG A 38 -9.703 -9.781 -8.503 1.00 0.00 N ATOM 588 CZ ARG A 38 -9.877 -9.557 -9.813 1.00 0.00 C ATOM 589 NH1 ARG A 38 -10.966 -10.027 -10.434 1.00 0.00 N ATOM 590 NH2 ARG A 38 -8.960 -8.862 -10.500 1.00 0.00 N ATOM 0 H ARG A 38 -7.357 -12.987 -5.401 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.000 -12.186 -5.116 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.445 -11.591 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.606 -13.221 -7.622 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.318 -12.302 -8.846 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.248 -12.591 -7.389 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.679 -10.301 -7.950 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.546 -10.230 -6.615 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.861 -9.410 -8.062 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.664 -10.556 -9.910 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.098 -9.856 -11.431 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.131 -8.504 -10.026 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.091 -8.691 -11.497 1.00 0.00 H new ATOM 604 N ASP A 39 -9.683 -15.238 -6.372 1.00 0.00 N ATOM 605 CA ASP A 39 -10.361 -16.512 -6.541 1.00 0.00 C ATOM 606 C ASP A 39 -10.556 -17.167 -5.172 1.00 0.00 C ATOM 607 O ASP A 39 -11.547 -17.861 -4.947 1.00 0.00 O ATOM 608 CB ASP A 39 -9.535 -17.465 -7.408 1.00 0.00 C ATOM 609 CG ASP A 39 -9.974 -17.553 -8.871 1.00 0.00 C ATOM 610 OD1 ASP A 39 -11.199 -17.469 -9.102 1.00 0.00 O ATOM 611 OD2 ASP A 39 -9.074 -17.702 -9.725 1.00 0.00 O ATOM 0 H ASP A 39 -8.742 -15.200 -6.765 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.319 -16.322 -7.025 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.492 -17.150 -7.376 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.580 -18.462 -6.970 1.00 0.00 H new ATOM 616 N SER A 40 -9.595 -16.925 -4.294 1.00 0.00 N ATOM 617 CA SER A 40 -9.648 -17.482 -2.953 1.00 0.00 C ATOM 618 C SER A 40 -9.722 -16.356 -1.920 1.00 0.00 C ATOM 619 O SER A 40 -8.693 -15.875 -1.446 1.00 0.00 O ATOM 620 CB SER A 40 -8.437 -18.374 -2.679 1.00 0.00 C ATOM 621 OG SER A 40 -8.441 -18.889 -1.350 1.00 0.00 O ATOM 0 H SER A 40 -8.774 -16.350 -4.485 1.00 0.00 H new ATOM 0 HA SER A 40 -10.544 -18.098 -2.874 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.429 -19.202 -3.388 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.523 -17.804 -2.844 1.00 0.00 H new ATOM 0 HG SER A 40 -7.652 -19.455 -1.216 1.00 0.00 H new ATOM 627 N PRO A 41 -10.980 -15.956 -1.593 1.00 0.00 N ATOM 628 CA PRO A 41 -11.201 -14.895 -0.625 1.00 0.00 C ATOM 629 C PRO A 41 -10.951 -15.393 0.800 1.00 0.00 C ATOM 630 O PRO A 41 -10.978 -14.610 1.749 1.00 0.00 O ATOM 631 CB PRO A 41 -12.634 -14.446 -0.854 1.00 0.00 C ATOM 632 CG PRO A 41 -13.309 -15.576 -1.617 1.00 0.00 C ATOM 633 CD PRO A 41 -12.221 -16.503 -2.134 1.00 0.00 C ATOM 0 HA PRO A 41 -10.511 -14.060 -0.751 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.140 -14.257 0.093 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -12.666 -13.517 -1.423 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.996 -16.118 -0.967 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -13.898 -15.180 -2.444 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.381 -17.528 -1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.203 -16.523 -3.224 1.00 0.00 H new ATOM 641 N ASP A 42 -10.713 -16.692 0.907 1.00 0.00 N ATOM 642 CA ASP A 42 -10.458 -17.303 2.199 1.00 0.00 C ATOM 643 C ASP A 42 -8.978 -17.676 2.300 1.00 0.00 C ATOM 644 O ASP A 42 -8.621 -18.636 2.981 1.00 0.00 O ATOM 645 CB ASP A 42 -11.281 -18.581 2.377 1.00 0.00 C ATOM 646 CG ASP A 42 -12.016 -18.696 3.714 1.00 0.00 C ATOM 647 OD1 ASP A 42 -12.938 -17.880 3.926 1.00 0.00 O ATOM 648 OD2 ASP A 42 -11.640 -19.598 4.492 1.00 0.00 O ATOM 0 H ASP A 42 -10.692 -17.339 0.118 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.735 -16.585 2.971 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.013 -18.639 1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.619 -19.440 2.269 1.00 0.00 H new ATOM 653 N ALA A 43 -8.156 -16.897 1.612 1.00 0.00 N ATOM 654 CA ALA A 43 -6.723 -17.133 1.616 1.00 0.00 C ATOM 655 C ALA A 43 -6.049 -16.147 2.571 1.00 0.00 C ATOM 656 O ALA A 43 -5.302 -16.551 3.461 1.00 0.00 O ATOM 657 CB ALA A 43 -6.184 -17.022 0.188 1.00 0.00 C ATOM 0 H ALA A 43 -8.456 -16.102 1.048 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.501 -18.139 1.972 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.108 -17.199 0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.672 -17.764 -0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.387 -16.024 -0.201 1.00 0.00 H new ATOM 663 N VAL A 44 -6.338 -14.872 2.356 1.00 0.00 N ATOM 664 CA VAL A 44 -5.771 -13.824 3.187 1.00 0.00 C ATOM 665 C VAL A 44 -6.863 -12.813 3.541 1.00 0.00 C ATOM 666 O VAL A 44 -7.703 -12.484 2.707 1.00 0.00 O ATOM 667 CB VAL A 44 -4.572 -13.188 2.480 1.00 0.00 C ATOM 668 CG1 VAL A 44 -4.184 -11.864 3.144 1.00 0.00 C ATOM 669 CG2 VAL A 44 -3.384 -14.150 2.440 1.00 0.00 C ATOM 0 H VAL A 44 -6.958 -14.541 1.617 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.397 -14.238 4.123 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.864 -12.975 1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.329 -11.432 2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.025 -11.173 3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.921 -12.043 4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.546 -13.672 1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.092 -14.409 3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.666 -15.055 1.902 1.00 0.00 H new ATOM 679 N GLU A 45 -6.812 -12.347 4.781 1.00 0.00 N ATOM 680 CA GLU A 45 -7.786 -11.379 5.257 1.00 0.00 C ATOM 681 C GLU A 45 -7.191 -9.969 5.229 1.00 0.00 C ATOM 682 O GLU A 45 -6.064 -9.759 5.672 1.00 0.00 O ATOM 683 CB GLU A 45 -8.277 -11.739 6.660 1.00 0.00 C ATOM 684 CG GLU A 45 -8.969 -10.547 7.322 1.00 0.00 C ATOM 685 CD GLU A 45 -8.175 -10.053 8.532 1.00 0.00 C ATOM 686 OE1 GLU A 45 -8.286 -10.710 9.591 1.00 0.00 O ATOM 687 OE2 GLU A 45 -7.473 -9.031 8.373 1.00 0.00 O ATOM 0 H GLU A 45 -6.112 -12.622 5.470 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.648 -11.402 4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.969 -12.579 6.602 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.435 -12.061 7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.078 -9.738 6.599 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.973 -10.833 7.634 1.00 0.00 H new ATOM 694 N VAL A 46 -7.977 -9.040 4.702 1.00 0.00 N ATOM 695 CA VAL A 46 -7.542 -7.657 4.612 1.00 0.00 C ATOM 696 C VAL A 46 -8.513 -6.769 5.391 1.00 0.00 C ATOM 697 O VAL A 46 -9.723 -6.826 5.172 1.00 0.00 O ATOM 698 CB VAL A 46 -7.404 -7.248 3.143 1.00 0.00 C ATOM 699 CG1 VAL A 46 -7.182 -5.740 3.013 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.281 -8.030 2.459 1.00 0.00 C ATOM 0 H VAL A 46 -8.911 -9.219 4.334 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.558 -7.535 5.064 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.338 -7.494 2.637 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.087 -5.476 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.030 -5.209 3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.271 -5.460 3.541 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.204 -7.720 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.337 -7.831 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.500 -9.097 2.505 1.00 0.00 H new ATOM 710 N THR A 47 -7.947 -5.970 6.284 1.00 0.00 N ATOM 711 CA THR A 47 -8.749 -5.071 7.097 1.00 0.00 C ATOM 712 C THR A 47 -7.984 -3.775 7.372 1.00 0.00 C ATOM 713 O THR A 47 -6.798 -3.673 7.062 1.00 0.00 O ATOM 714 CB THR A 47 -9.154 -5.819 8.368 1.00 0.00 C ATOM 715 OG1 THR A 47 -7.991 -6.562 8.721 1.00 0.00 O ATOM 716 CG2 THR A 47 -10.215 -6.890 8.106 1.00 0.00 C ATOM 0 H THR A 47 -6.944 -5.926 6.462 1.00 0.00 H new ATOM 0 HA THR A 47 -9.658 -4.770 6.576 1.00 0.00 H new ATOM 0 HB THR A 47 -9.531 -5.107 9.102 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.148 -7.515 8.552 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.466 -7.390 9.041 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.109 -6.423 7.693 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.827 -7.621 7.397 1.00 0.00 H new ATOM 724 N GLY A 48 -8.694 -2.818 7.950 1.00 0.00 N ATOM 725 CA GLY A 48 -8.096 -1.533 8.270 1.00 0.00 C ATOM 726 C GLY A 48 -8.314 -0.529 7.137 1.00 0.00 C ATOM 727 O GLY A 48 -8.305 0.680 7.363 1.00 0.00 O ATOM 0 H GLY A 48 -9.678 -2.906 8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.530 -1.146 9.192 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -7.028 -1.659 8.448 1.00 0.00 H new ATOM 731 N LEU A 49 -8.502 -1.067 5.940 1.00 0.00 N ATOM 732 CA LEU A 49 -8.721 -0.233 4.771 1.00 0.00 C ATOM 733 C LEU A 49 -9.767 0.835 5.100 1.00 0.00 C ATOM 734 O LEU A 49 -10.493 0.715 6.086 1.00 0.00 O ATOM 735 CB LEU A 49 -9.083 -1.095 3.559 1.00 0.00 C ATOM 736 CG LEU A 49 -7.906 -1.635 2.745 1.00 0.00 C ATOM 737 CD1 LEU A 49 -8.389 -2.583 1.645 1.00 0.00 C ATOM 738 CD2 LEU A 49 -7.057 -0.492 2.184 1.00 0.00 C ATOM 0 H LEU A 49 -8.507 -2.070 5.755 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.804 0.291 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.679 -1.940 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.718 -0.507 2.896 1.00 0.00 H new ATOM 0 HG LEU A 49 -7.267 -2.214 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.532 -2.953 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.917 -3.424 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.062 -2.049 0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.227 -0.903 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.671 0.134 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.667 0.109 3.006 1.00 0.00 H new ATOM 750 N PRO A 50 -9.810 1.882 4.233 1.00 0.00 N ATOM 751 CA PRO A 50 -10.754 2.971 4.422 1.00 0.00 C ATOM 752 C PRO A 50 -12.170 2.542 4.031 1.00 0.00 C ATOM 753 O PRO A 50 -12.347 1.694 3.157 1.00 0.00 O ATOM 754 CB PRO A 50 -10.220 4.107 3.567 1.00 0.00 C ATOM 755 CG PRO A 50 -9.262 3.468 2.575 1.00 0.00 C ATOM 756 CD PRO A 50 -8.966 2.057 3.056 1.00 0.00 C ATOM 0 HA PRO A 50 -10.837 3.280 5.464 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.031 4.622 3.051 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.710 4.850 4.180 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.703 3.447 1.578 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.342 4.048 2.505 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -9.200 1.320 2.288 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.911 1.936 3.303 1.00 0.00 H new ATOM 764 N ASP A 51 -13.142 3.149 4.696 1.00 0.00 N ATOM 765 CA ASP A 51 -14.537 2.841 4.428 1.00 0.00 C ATOM 766 C ASP A 51 -14.873 3.228 2.987 1.00 0.00 C ATOM 767 O ASP A 51 -14.276 4.151 2.433 1.00 0.00 O ATOM 768 CB ASP A 51 -15.463 3.629 5.357 1.00 0.00 C ATOM 769 CG ASP A 51 -16.911 3.749 4.877 1.00 0.00 C ATOM 770 OD1 ASP A 51 -17.615 2.718 4.936 1.00 0.00 O ATOM 771 OD2 ASP A 51 -17.280 4.869 4.464 1.00 0.00 O ATOM 0 H ASP A 51 -12.992 3.852 5.419 1.00 0.00 H new ATOM 0 HA ASP A 51 -14.684 1.773 4.592 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -15.459 3.153 6.338 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -15.055 4.631 5.487 1.00 0.00 H new ATOM 776 N ASP A 52 -15.826 2.503 2.420 1.00 0.00 N ATOM 777 CA ASP A 52 -16.249 2.760 1.054 1.00 0.00 C ATOM 778 C ASP A 52 -15.075 2.505 0.105 1.00 0.00 C ATOM 779 O ASP A 52 -14.935 3.183 -0.911 1.00 0.00 O ATOM 780 CB ASP A 52 -16.691 4.213 0.877 1.00 0.00 C ATOM 781 CG ASP A 52 -18.032 4.399 0.164 1.00 0.00 C ATOM 782 OD1 ASP A 52 -18.667 3.364 -0.130 1.00 0.00 O ATOM 783 OD2 ASP A 52 -18.392 5.573 -0.072 1.00 0.00 O ATOM 0 H ASP A 52 -16.317 1.738 2.882 1.00 0.00 H new ATOM 0 HA ASP A 52 -17.087 2.099 0.831 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -16.751 4.681 1.860 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.922 4.745 0.317 1.00 0.00 H new ATOM 788 N ILE A 53 -14.261 1.526 0.473 1.00 0.00 N ATOM 789 CA ILE A 53 -13.104 1.173 -0.333 1.00 0.00 C ATOM 790 C ILE A 53 -12.790 -0.311 -0.143 1.00 0.00 C ATOM 791 O ILE A 53 -12.489 -0.750 0.967 1.00 0.00 O ATOM 792 CB ILE A 53 -11.927 2.097 -0.012 1.00 0.00 C ATOM 793 CG1 ILE A 53 -12.265 3.552 -0.345 1.00 0.00 C ATOM 794 CG2 ILE A 53 -10.654 1.629 -0.720 1.00 0.00 C ATOM 795 CD1 ILE A 53 -11.061 4.464 -0.101 1.00 0.00 C ATOM 0 H ILE A 53 -14.380 0.967 1.318 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.317 1.321 -1.392 1.00 0.00 H new ATOM 0 HB ILE A 53 -11.737 2.048 1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -12.578 3.627 -1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.106 3.883 0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -9.833 2.303 -0.475 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.405 0.620 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.816 1.631 -1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -11.328 5.492 -0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.766 4.405 0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -10.230 4.146 -0.730 1.00 0.00 H new ATOM 807 N PRO A 54 -12.872 -1.065 -1.272 1.00 0.00 N ATOM 808 CA PRO A 54 -12.599 -2.492 -1.241 1.00 0.00 C ATOM 809 C PRO A 54 -11.097 -2.762 -1.129 1.00 0.00 C ATOM 810 O PRO A 54 -10.329 -1.872 -0.769 1.00 0.00 O ATOM 811 CB PRO A 54 -13.207 -3.037 -2.523 1.00 0.00 C ATOM 812 CG PRO A 54 -13.385 -1.838 -3.442 1.00 0.00 C ATOM 813 CD PRO A 54 -13.225 -0.581 -2.604 1.00 0.00 C ATOM 0 HA PRO A 54 -13.032 -2.984 -0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.556 -3.784 -2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.162 -3.524 -2.326 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.647 -1.859 -4.244 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.368 -1.860 -3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.448 0.068 -3.008 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.147 0.000 -2.583 1.00 0.00 H new ATOM 821 N PHE A 55 -10.725 -3.994 -1.445 1.00 0.00 N ATOM 822 CA PHE A 55 -9.328 -4.391 -1.384 1.00 0.00 C ATOM 823 C PHE A 55 -8.892 -5.060 -2.689 1.00 0.00 C ATOM 824 O PHE A 55 -9.038 -6.271 -2.849 1.00 0.00 O ATOM 825 CB PHE A 55 -9.200 -5.399 -0.240 1.00 0.00 C ATOM 826 CG PHE A 55 -8.022 -6.364 -0.390 1.00 0.00 C ATOM 827 CD1 PHE A 55 -6.747 -5.900 -0.298 1.00 0.00 C ATOM 828 CD2 PHE A 55 -8.251 -7.685 -0.618 1.00 0.00 C ATOM 829 CE1 PHE A 55 -5.654 -6.796 -0.437 1.00 0.00 C ATOM 830 CE2 PHE A 55 -7.158 -8.581 -0.756 1.00 0.00 C ATOM 831 CZ PHE A 55 -5.883 -8.118 -0.664 1.00 0.00 C ATOM 0 H PHE A 55 -11.365 -4.730 -1.744 1.00 0.00 H new ATOM 0 HA PHE A 55 -8.698 -3.516 -1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.094 -4.856 0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.123 -5.976 -0.173 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.566 -4.850 -0.119 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.264 -8.052 -0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.641 -6.428 -0.363 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.340 -9.631 -0.934 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.052 -8.799 -0.771 1.00 0.00 H new ATOM 841 N ARG A 56 -8.365 -4.242 -3.589 1.00 0.00 N ATOM 842 CA ARG A 56 -7.906 -4.740 -4.874 1.00 0.00 C ATOM 843 C ARG A 56 -6.614 -4.033 -5.286 1.00 0.00 C ATOM 844 O ARG A 56 -6.158 -3.117 -4.604 1.00 0.00 O ATOM 845 CB ARG A 56 -8.965 -4.525 -5.958 1.00 0.00 C ATOM 846 CG ARG A 56 -10.320 -5.083 -5.519 1.00 0.00 C ATOM 847 CD ARG A 56 -10.945 -5.938 -6.625 1.00 0.00 C ATOM 848 NE ARG A 56 -12.107 -5.234 -7.210 1.00 0.00 N ATOM 849 CZ ARG A 56 -13.349 -5.291 -6.711 1.00 0.00 C ATOM 850 NH1 ARG A 56 -13.597 -6.017 -5.612 1.00 0.00 N ATOM 851 NH2 ARG A 56 -14.344 -4.619 -7.308 1.00 0.00 N ATOM 0 H ARG A 56 -8.246 -3.238 -3.453 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.722 -5.809 -4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.059 -3.461 -6.174 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.649 -5.011 -6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.196 -5.683 -4.617 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.991 -4.262 -5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -10.206 -6.144 -7.399 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -11.258 -6.900 -6.220 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.953 -4.670 -8.046 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.840 -6.526 -5.156 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.543 -6.060 -5.232 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.156 -4.064 -8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.289 -4.663 -6.927 1.00 0.00 H new ATOM 865 N ASN A 57 -6.058 -4.486 -6.401 1.00 0.00 N ATOM 866 CA ASN A 57 -4.826 -3.908 -6.911 1.00 0.00 C ATOM 867 C ASN A 57 -4.861 -2.392 -6.715 1.00 0.00 C ATOM 868 O ASN A 57 -5.878 -1.750 -6.976 1.00 0.00 O ATOM 869 CB ASN A 57 -4.666 -4.188 -8.407 1.00 0.00 C ATOM 870 CG ASN A 57 -3.188 -4.285 -8.792 1.00 0.00 C ATOM 871 OD1 ASN A 57 -2.530 -3.299 -9.081 1.00 0.00 O ATOM 872 ND2 ASN A 57 -2.706 -5.523 -8.778 1.00 0.00 N ATOM 0 H ASN A 57 -6.438 -5.246 -6.965 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.993 -4.355 -6.369 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.174 -5.118 -8.663 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.144 -3.395 -8.982 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.730 -5.693 -9.019 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.312 -6.304 -8.526 1.00 0.00 H new ATOM 879 N PRO A 58 -3.706 -1.847 -6.246 1.00 0.00 N ATOM 880 CA PRO A 58 -3.594 -0.417 -6.012 1.00 0.00 C ATOM 881 C PRO A 58 -3.458 0.346 -7.332 1.00 0.00 C ATOM 882 O PRO A 58 -3.501 1.575 -7.350 1.00 0.00 O ATOM 883 CB PRO A 58 -2.382 -0.260 -5.108 1.00 0.00 C ATOM 884 CG PRO A 58 -1.589 -1.549 -5.247 1.00 0.00 C ATOM 885 CD PRO A 58 -2.482 -2.574 -5.927 1.00 0.00 C ATOM 0 HA PRO A 58 -4.483 0.003 -5.541 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.783 0.601 -5.404 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.685 -0.097 -4.074 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.686 -1.380 -5.834 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.271 -1.909 -4.269 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.013 -2.973 -6.826 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.684 -3.420 -5.271 1.00 0.00 H new ATOM 893 N ASN A 59 -3.297 -0.415 -8.404 1.00 0.00 N ATOM 894 CA ASN A 59 -3.154 0.173 -9.726 1.00 0.00 C ATOM 895 C ASN A 59 -4.532 0.282 -10.382 1.00 0.00 C ATOM 896 O ASN A 59 -4.814 -0.410 -11.358 1.00 0.00 O ATOM 897 CB ASN A 59 -2.270 -0.695 -10.622 1.00 0.00 C ATOM 898 CG ASN A 59 -1.816 0.080 -11.860 1.00 0.00 C ATOM 899 OD1 ASN A 59 -2.274 1.176 -12.141 1.00 0.00 O ATOM 900 ND2 ASN A 59 -0.892 -0.547 -12.583 1.00 0.00 N ATOM 0 H ASN A 59 -3.262 -1.434 -8.385 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.695 1.155 -9.611 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.399 -1.034 -10.061 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.819 -1.586 -10.927 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.524 -0.111 -13.429 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.551 -1.463 -12.292 1.00 0.00 H new ATOM 907 N THR A 60 -5.353 1.156 -9.818 1.00 0.00 N ATOM 908 CA THR A 60 -6.693 1.365 -10.336 1.00 0.00 C ATOM 909 C THR A 60 -7.426 2.425 -9.511 1.00 0.00 C ATOM 910 O THR A 60 -8.189 3.222 -10.054 1.00 0.00 O ATOM 911 CB THR A 60 -7.408 0.012 -10.358 1.00 0.00 C ATOM 912 OG1 THR A 60 -8.792 0.349 -10.357 1.00 0.00 O ATOM 913 CG2 THR A 60 -7.214 -0.773 -9.059 1.00 0.00 C ATOM 0 H THR A 60 -5.115 1.727 -9.007 1.00 0.00 H new ATOM 0 HA THR A 60 -6.666 1.752 -11.354 1.00 0.00 H new ATOM 0 HB THR A 60 -7.041 -0.578 -11.198 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.328 -0.471 -10.372 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.741 -1.725 -9.127 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.151 -0.957 -8.900 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.611 -0.197 -8.223 1.00 0.00 H new ATOM 921 N TYR A 61 -7.167 2.400 -8.212 1.00 0.00 N ATOM 922 CA TYR A 61 -7.792 3.349 -7.306 1.00 0.00 C ATOM 923 C TYR A 61 -7.645 4.780 -7.825 1.00 0.00 C ATOM 924 O TYR A 61 -7.024 5.008 -8.861 1.00 0.00 O ATOM 925 CB TYR A 61 -7.043 3.221 -5.978 1.00 0.00 C ATOM 926 CG TYR A 61 -7.278 1.893 -5.256 1.00 0.00 C ATOM 927 CD1 TYR A 61 -8.562 1.408 -5.105 1.00 0.00 C ATOM 928 CD2 TYR A 61 -6.209 1.181 -4.754 1.00 0.00 C ATOM 929 CE1 TYR A 61 -8.784 0.159 -4.425 1.00 0.00 C ATOM 930 CE2 TYR A 61 -6.431 -0.069 -4.073 1.00 0.00 C ATOM 931 CZ TYR A 61 -7.708 -0.518 -3.942 1.00 0.00 C ATOM 932 OH TYR A 61 -7.918 -1.698 -3.299 1.00 0.00 O ATOM 0 H TYR A 61 -6.533 1.738 -7.765 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.857 3.140 -7.207 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.975 3.338 -6.162 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -7.345 4.038 -5.322 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -9.400 1.966 -5.497 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.205 1.561 -4.871 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.783 -0.232 -4.301 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.602 -0.636 -3.676 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.136 -2.278 -3.415 1.00 0.00 H new ATOM 942 N ASP A 62 -8.229 5.708 -7.081 1.00 0.00 N ATOM 943 CA ASP A 62 -8.171 7.112 -7.453 1.00 0.00 C ATOM 944 C ASP A 62 -7.363 7.880 -6.405 1.00 0.00 C ATOM 945 O ASP A 62 -7.030 7.337 -5.353 1.00 0.00 O ATOM 946 CB ASP A 62 -9.572 7.724 -7.512 1.00 0.00 C ATOM 947 CG ASP A 62 -9.625 9.173 -7.998 1.00 0.00 C ATOM 948 OD1 ASP A 62 -9.616 9.358 -9.234 1.00 0.00 O ATOM 949 OD2 ASP A 62 -9.671 10.065 -7.122 1.00 0.00 O ATOM 0 H ASP A 62 -8.745 5.515 -6.222 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.705 7.182 -8.436 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.191 7.113 -8.169 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.016 7.674 -6.518 1.00 0.00 H new ATOM 954 N ILE A 63 -7.072 9.131 -6.729 1.00 0.00 N ATOM 955 CA ILE A 63 -6.308 9.979 -5.830 1.00 0.00 C ATOM 956 C ILE A 63 -6.868 9.843 -4.412 1.00 0.00 C ATOM 957 O ILE A 63 -6.110 9.729 -3.450 1.00 0.00 O ATOM 958 CB ILE A 63 -6.282 11.419 -6.345 1.00 0.00 C ATOM 959 CG1 ILE A 63 -4.881 12.022 -6.217 1.00 0.00 C ATOM 960 CG2 ILE A 63 -7.339 12.273 -5.642 1.00 0.00 C ATOM 961 CD1 ILE A 63 -4.941 13.550 -6.191 1.00 0.00 C ATOM 0 H ILE A 63 -7.352 9.578 -7.602 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.267 9.659 -5.795 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.532 11.406 -7.406 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.407 11.658 -5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -4.262 11.693 -7.052 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.299 13.292 -6.027 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.328 11.854 -5.828 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -7.145 12.283 -4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.932 13.952 -6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.394 13.912 -7.114 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.540 13.876 -5.341 1.00 0.00 H new ATOM 973 N HIS A 64 -8.190 9.860 -4.327 1.00 0.00 N ATOM 974 CA HIS A 64 -8.859 9.741 -3.043 1.00 0.00 C ATOM 975 C HIS A 64 -8.485 8.409 -2.391 1.00 0.00 C ATOM 976 O HIS A 64 -7.722 8.378 -1.426 1.00 0.00 O ATOM 977 CB HIS A 64 -10.371 9.921 -3.199 1.00 0.00 C ATOM 978 CG HIS A 64 -10.856 11.320 -2.909 1.00 0.00 C ATOM 979 ND1 HIS A 64 -12.135 11.749 -3.219 1.00 0.00 N ATOM 980 CD2 HIS A 64 -10.223 12.382 -2.333 1.00 0.00 C ATOM 981 CE1 HIS A 64 -12.254 13.014 -2.843 1.00 0.00 C ATOM 982 NE2 HIS A 64 -11.069 13.404 -2.294 1.00 0.00 N ATOM 0 H HIS A 64 -8.816 9.954 -5.127 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.523 10.538 -2.379 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.655 9.653 -4.216 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.880 9.225 -2.532 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.206 12.390 -1.970 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -13.135 13.628 -2.952 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.866 14.329 -1.915 1.00 0.00 H new ATOM 990 N ARG A 65 -9.038 7.340 -2.944 1.00 0.00 N ATOM 991 CA ARG A 65 -8.771 6.008 -2.429 1.00 0.00 C ATOM 992 C ARG A 65 -7.273 5.829 -2.169 1.00 0.00 C ATOM 993 O ARG A 65 -6.873 5.418 -1.081 1.00 0.00 O ATOM 994 CB ARG A 65 -9.243 4.933 -3.409 1.00 0.00 C ATOM 995 CG ARG A 65 -10.758 5.003 -3.611 1.00 0.00 C ATOM 996 CD ARG A 65 -11.338 3.617 -3.899 1.00 0.00 C ATOM 997 NE ARG A 65 -11.577 3.459 -5.352 1.00 0.00 N ATOM 998 CZ ARG A 65 -12.455 2.596 -5.879 1.00 0.00 C ATOM 999 NH1 ARG A 65 -13.183 1.807 -5.077 1.00 0.00 N ATOM 1000 NH2 ARG A 65 -12.605 2.522 -7.209 1.00 0.00 N ATOM 0 H ARG A 65 -9.670 7.369 -3.744 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.321 5.898 -1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.738 5.062 -4.367 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.968 3.947 -3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.228 5.420 -2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.987 5.676 -4.437 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.651 2.847 -3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.271 3.484 -3.352 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.039 4.044 -5.991 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.068 1.864 -4.065 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.852 1.150 -5.479 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.051 3.123 -7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.274 1.865 -7.611 1.00 0.00 H new ATOM 1014 N LEU A 66 -6.487 6.147 -3.187 1.00 0.00 N ATOM 1015 CA LEU A 66 -5.043 6.027 -3.083 1.00 0.00 C ATOM 1016 C LEU A 66 -4.571 6.700 -1.793 1.00 0.00 C ATOM 1017 O LEU A 66 -3.718 6.165 -1.085 1.00 0.00 O ATOM 1018 CB LEU A 66 -4.367 6.571 -4.343 1.00 0.00 C ATOM 1019 CG LEU A 66 -4.420 5.667 -5.576 1.00 0.00 C ATOM 1020 CD1 LEU A 66 -3.622 6.272 -6.733 1.00 0.00 C ATOM 1021 CD2 LEU A 66 -3.954 4.250 -5.237 1.00 0.00 C ATOM 0 H LEU A 66 -6.823 6.488 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.752 4.978 -3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.829 7.525 -4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.322 6.775 -4.111 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.457 5.595 -5.903 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -3.676 5.610 -7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.040 7.244 -6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.581 6.393 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.001 3.628 -6.131 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.928 4.282 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.600 3.829 -4.467 1.00 0.00 H new ATOM 1033 N GLU A 67 -5.146 7.863 -1.525 1.00 0.00 N ATOM 1034 CA GLU A 67 -4.794 8.614 -0.332 1.00 0.00 C ATOM 1035 C GLU A 67 -5.431 7.976 0.904 1.00 0.00 C ATOM 1036 O GLU A 67 -4.757 7.754 1.910 1.00 0.00 O ATOM 1037 CB GLU A 67 -5.209 10.081 -0.466 1.00 0.00 C ATOM 1038 CG GLU A 67 -4.190 10.866 -1.295 1.00 0.00 C ATOM 1039 CD GLU A 67 -3.367 11.803 -0.409 1.00 0.00 C ATOM 1040 OE1 GLU A 67 -3.980 12.738 0.150 1.00 0.00 O ATOM 1041 OE2 GLU A 67 -2.145 11.563 -0.311 1.00 0.00 O ATOM 0 H GLU A 67 -5.853 8.304 -2.113 1.00 0.00 H new ATOM 0 HA GLU A 67 -3.711 8.585 -0.215 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.191 10.143 -0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.300 10.529 0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.526 10.173 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.707 11.445 -2.060 1.00 0.00 H new ATOM 1048 N LYS A 68 -6.721 7.698 0.790 1.00 0.00 N ATOM 1049 CA LYS A 68 -7.456 7.089 1.885 1.00 0.00 C ATOM 1050 C LYS A 68 -6.678 5.879 2.405 1.00 0.00 C ATOM 1051 O LYS A 68 -6.396 5.784 3.599 1.00 0.00 O ATOM 1052 CB LYS A 68 -8.887 6.762 1.454 1.00 0.00 C ATOM 1053 CG LYS A 68 -9.582 7.996 0.875 1.00 0.00 C ATOM 1054 CD LYS A 68 -10.868 8.312 1.642 1.00 0.00 C ATOM 1055 CE LYS A 68 -11.550 9.560 1.080 1.00 0.00 C ATOM 1056 NZ LYS A 68 -11.854 10.519 2.165 1.00 0.00 N ATOM 0 H LYS A 68 -7.277 7.884 -0.045 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.551 7.788 2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.873 5.966 0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -9.452 6.390 2.309 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.908 8.852 0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.814 7.827 -0.177 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.549 7.463 1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.639 8.463 2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.904 10.032 0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.470 9.279 0.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.317 11.360 1.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.488 10.071 2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.971 10.801 2.637 1.00 0.00 H new ATOM 1070 N ILE A 69 -6.353 4.984 1.483 1.00 0.00 N ATOM 1071 CA ILE A 69 -5.613 3.783 1.834 1.00 0.00 C ATOM 1072 C ILE A 69 -4.346 4.176 2.596 1.00 0.00 C ATOM 1073 O ILE A 69 -4.074 3.644 3.671 1.00 0.00 O ATOM 1074 CB ILE A 69 -5.345 2.937 0.588 1.00 0.00 C ATOM 1075 CG1 ILE A 69 -6.616 2.216 0.131 1.00 0.00 C ATOM 1076 CG2 ILE A 69 -4.188 1.965 0.824 1.00 0.00 C ATOM 1077 CD1 ILE A 69 -6.859 2.429 -1.363 1.00 0.00 C ATOM 0 H ILE A 69 -6.588 5.066 0.494 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.202 3.151 2.499 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.045 3.604 -0.220 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.529 1.150 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.471 2.584 0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.018 1.376 -0.077 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.285 2.526 1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.435 1.300 1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.768 1.907 -1.662 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.970 3.494 -1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.013 2.038 -1.929 1.00 0.00 H new ATOM 1089 N LEU A 70 -3.603 5.102 2.008 1.00 0.00 N ATOM 1090 CA LEU A 70 -2.371 5.571 2.619 1.00 0.00 C ATOM 1091 C LEU A 70 -2.688 6.212 3.971 1.00 0.00 C ATOM 1092 O LEU A 70 -1.880 6.153 4.896 1.00 0.00 O ATOM 1093 CB LEU A 70 -1.617 6.496 1.661 1.00 0.00 C ATOM 1094 CG LEU A 70 -0.724 5.808 0.628 1.00 0.00 C ATOM 1095 CD1 LEU A 70 -0.441 6.733 -0.558 1.00 0.00 C ATOM 1096 CD2 LEU A 70 0.565 5.293 1.272 1.00 0.00 C ATOM 0 H LEU A 70 -3.830 5.540 1.115 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.700 4.735 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.346 7.109 1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.000 7.173 2.252 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.259 4.941 0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.196 6.218 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.381 7.008 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.063 7.633 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.181 4.808 0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.114 6.129 1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.319 4.575 2.054 1.00 0.00 H new ATOM 1108 N LYS A 71 -3.868 6.813 4.043 1.00 0.00 N ATOM 1109 CA LYS A 71 -4.302 7.465 5.267 1.00 0.00 C ATOM 1110 C LYS A 71 -4.703 6.401 6.291 1.00 0.00 C ATOM 1111 O LYS A 71 -4.975 6.720 7.448 1.00 0.00 O ATOM 1112 CB LYS A 71 -5.406 8.481 4.969 1.00 0.00 C ATOM 1113 CG LYS A 71 -4.922 9.909 5.226 1.00 0.00 C ATOM 1114 CD LYS A 71 -6.093 10.894 5.223 1.00 0.00 C ATOM 1115 CE LYS A 71 -5.594 12.338 5.146 1.00 0.00 C ATOM 1116 NZ LYS A 71 -6.531 13.248 5.843 1.00 0.00 N ATOM 0 H LYS A 71 -4.536 6.862 3.274 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.485 8.037 5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.725 8.383 3.931 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.276 8.271 5.591 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.406 9.955 6.185 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.200 10.195 4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.746 10.685 4.376 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.689 10.759 6.126 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.604 12.411 5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.493 12.639 4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.177 14.224 5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.468 13.190 5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.606 12.970 6.842 1.00 0.00 H new ATOM 1130 N ALA A 72 -4.727 5.160 5.829 1.00 0.00 N ATOM 1131 CA ALA A 72 -5.091 4.048 6.691 1.00 0.00 C ATOM 1132 C ALA A 72 -3.998 2.980 6.627 1.00 0.00 C ATOM 1133 O ALA A 72 -4.244 1.815 6.936 1.00 0.00 O ATOM 1134 CB ALA A 72 -6.460 3.507 6.276 1.00 0.00 C ATOM 0 H ALA A 72 -4.500 4.900 4.869 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.171 4.376 7.727 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.733 2.673 6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.206 4.296 6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.418 3.166 5.242 1.00 0.00 H new ATOM 1140 N ARG A 73 -2.813 3.414 6.224 1.00 0.00 N ATOM 1141 CA ARG A 73 -1.680 2.510 6.114 1.00 0.00 C ATOM 1142 C ARG A 73 -1.358 1.897 7.479 1.00 0.00 C ATOM 1143 O ARG A 73 -0.926 0.749 7.560 1.00 0.00 O ATOM 1144 CB ARG A 73 -0.444 3.237 5.583 1.00 0.00 C ATOM 1145 CG ARG A 73 0.168 4.137 6.659 1.00 0.00 C ATOM 1146 CD ARG A 73 1.250 5.042 6.066 1.00 0.00 C ATOM 1147 NE ARG A 73 1.814 5.913 7.121 1.00 0.00 N ATOM 1148 CZ ARG A 73 2.917 6.657 6.971 1.00 0.00 C ATOM 1149 NH1 ARG A 73 3.583 6.640 5.807 1.00 0.00 N ATOM 1150 NH2 ARG A 73 3.356 7.418 7.983 1.00 0.00 N ATOM 0 H ARG A 73 -2.612 4.381 5.969 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.951 1.721 5.412 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.295 2.509 5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.716 3.836 4.714 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.612 4.747 7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.596 3.523 7.451 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.040 4.436 5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.828 5.651 5.267 1.00 0.00 H new ATOM 0 HE ARG A 73 1.332 5.949 8.019 1.00 0.00 H new ATOM 0 HH11 ARG A 73 3.249 6.061 5.037 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.423 7.207 5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.850 7.431 8.868 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.196 7.984 7.868 1.00 0.00 H new ATOM 1164 N GLU A 74 -1.579 2.692 8.515 1.00 0.00 N ATOM 1165 CA GLU A 74 -1.316 2.243 9.872 1.00 0.00 C ATOM 1166 C GLU A 74 -2.498 1.427 10.399 1.00 0.00 C ATOM 1167 O GLU A 74 -2.367 0.705 11.386 1.00 0.00 O ATOM 1168 CB GLU A 74 -1.012 3.427 10.792 1.00 0.00 C ATOM 1169 CG GLU A 74 0.425 3.915 10.602 1.00 0.00 C ATOM 1170 CD GLU A 74 0.884 4.750 11.799 1.00 0.00 C ATOM 1171 OE1 GLU A 74 0.588 5.964 11.791 1.00 0.00 O ATOM 1172 OE2 GLU A 74 1.520 4.154 12.695 1.00 0.00 O ATOM 0 H GLU A 74 -1.937 3.644 8.443 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.435 1.602 9.858 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.707 4.241 10.584 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.166 3.134 11.831 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.089 3.060 10.474 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.493 4.510 9.691 1.00 0.00 H new ATOM 1179 N HIS A 75 -3.626 1.571 9.718 1.00 0.00 N ATOM 1180 CA HIS A 75 -4.830 0.856 10.105 1.00 0.00 C ATOM 1181 C HIS A 75 -4.920 -0.458 9.326 1.00 0.00 C ATOM 1182 O HIS A 75 -5.341 -1.479 9.869 1.00 0.00 O ATOM 1183 CB HIS A 75 -6.067 1.738 9.925 1.00 0.00 C ATOM 1184 CG HIS A 75 -6.378 2.608 11.119 1.00 0.00 C ATOM 1185 ND1 HIS A 75 -6.878 2.103 12.306 1.00 0.00 N ATOM 1186 CD2 HIS A 75 -6.256 3.956 11.296 1.00 0.00 C ATOM 1187 CE1 HIS A 75 -7.045 3.108 13.152 1.00 0.00 C ATOM 1188 NE2 HIS A 75 -6.660 4.256 12.524 1.00 0.00 N ATOM 0 H HIS A 75 -3.731 2.172 8.901 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.784 0.607 11.165 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.923 2.374 9.052 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.927 1.102 9.718 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -5.892 4.659 10.561 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -7.420 3.032 14.162 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -6.679 5.191 12.931 1.00 0.00 H new ATOM 1196 N VAL A 76 -4.519 -0.390 8.065 1.00 0.00 N ATOM 1197 CA VAL A 76 -4.549 -1.561 7.205 1.00 0.00 C ATOM 1198 C VAL A 76 -3.807 -2.710 7.891 1.00 0.00 C ATOM 1199 O VAL A 76 -2.685 -2.535 8.361 1.00 0.00 O ATOM 1200 CB VAL A 76 -3.976 -1.215 5.829 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -3.672 -2.482 5.028 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -4.922 -0.292 5.058 1.00 0.00 C ATOM 0 H VAL A 76 -4.171 0.458 7.618 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.575 -1.889 7.041 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.038 -0.682 5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.266 -2.208 4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.944 -3.088 5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.589 -3.054 4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.491 -0.061 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.883 -0.788 4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.066 0.632 5.619 1.00 0.00 H new ATOM 1212 N ARG A 77 -4.465 -3.860 7.924 1.00 0.00 N ATOM 1213 CA ARG A 77 -3.881 -5.038 8.543 1.00 0.00 C ATOM 1214 C ARG A 77 -4.279 -6.297 7.770 1.00 0.00 C ATOM 1215 O ARG A 77 -5.440 -6.461 7.400 1.00 0.00 O ATOM 1216 CB ARG A 77 -4.335 -5.177 9.998 1.00 0.00 C ATOM 1217 CG ARG A 77 -3.791 -6.465 10.621 1.00 0.00 C ATOM 1218 CD ARG A 77 -2.692 -6.158 11.640 1.00 0.00 C ATOM 1219 NE ARG A 77 -3.263 -5.439 12.801 1.00 0.00 N ATOM 1220 CZ ARG A 77 -4.027 -6.015 13.739 1.00 0.00 C ATOM 1221 NH1 ARG A 77 -4.315 -7.322 13.660 1.00 0.00 N ATOM 1222 NH2 ARG A 77 -4.502 -5.285 14.757 1.00 0.00 N ATOM 0 H ARG A 77 -5.396 -4.001 7.532 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.797 -4.921 8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.992 -4.317 10.574 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.424 -5.178 10.045 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.601 -7.009 11.107 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -3.396 -7.113 9.839 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -2.223 -7.084 11.971 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.913 -5.554 11.175 1.00 0.00 H new ATOM 0 HE ARG A 77 -3.062 -4.443 12.893 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -3.952 -7.878 12.886 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.897 -7.760 14.374 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.282 -4.291 14.818 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.084 -5.723 15.471 1.00 0.00 H new ATOM 1236 N MET A 78 -3.292 -7.152 7.547 1.00 0.00 N ATOM 1237 CA MET A 78 -3.525 -8.391 6.825 1.00 0.00 C ATOM 1238 C MET A 78 -3.419 -9.599 7.758 1.00 0.00 C ATOM 1239 O MET A 78 -2.583 -9.620 8.660 1.00 0.00 O ATOM 1240 CB MET A 78 -2.498 -8.525 5.698 1.00 0.00 C ATOM 1241 CG MET A 78 -2.852 -7.612 4.523 1.00 0.00 C ATOM 1242 SD MET A 78 -1.540 -7.637 3.313 1.00 0.00 S ATOM 1243 CE MET A 78 -2.278 -6.636 2.034 1.00 0.00 C ATOM 0 H MET A 78 -2.329 -7.011 7.854 1.00 0.00 H new ATOM 0 HA MET A 78 -4.533 -8.364 6.410 1.00 0.00 H new ATOM 0 HB2 MET A 78 -1.506 -8.273 6.073 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.457 -9.560 5.359 1.00 0.00 H new ATOM 0 HG2 MET A 78 -3.786 -7.940 4.066 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.011 -6.594 4.878 1.00 0.00 H new ATOM 0 HE1 MET A 78 -2.377 -7.225 1.122 1.00 0.00 H new ATOM 0 HE2 MET A 78 -3.263 -6.300 2.358 1.00 0.00 H new ATOM 0 HE3 MET A 78 -1.646 -5.770 1.840 1.00 0.00 H new ATOM 1253 N VAL A 79 -4.280 -10.575 7.510 1.00 0.00 N ATOM 1254 CA VAL A 79 -4.294 -11.784 8.316 1.00 0.00 C ATOM 1255 C VAL A 79 -4.387 -13.004 7.399 1.00 0.00 C ATOM 1256 O VAL A 79 -5.339 -13.135 6.631 1.00 0.00 O ATOM 1257 CB VAL A 79 -5.429 -11.716 9.339 1.00 0.00 C ATOM 1258 CG1 VAL A 79 -5.506 -13.006 10.160 1.00 0.00 C ATOM 1259 CG2 VAL A 79 -5.275 -10.497 10.250 1.00 0.00 C ATOM 0 H VAL A 79 -4.973 -10.553 6.762 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.368 -11.876 8.883 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.366 -11.610 8.792 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.321 -12.931 10.880 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.686 -13.851 9.495 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.566 -13.156 10.691 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.095 -10.473 10.968 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.327 -10.560 10.784 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.293 -9.588 9.648 1.00 0.00 H new ATOM 1269 N ILE A 80 -3.387 -13.866 7.509 1.00 0.00 N ATOM 1270 CA ILE A 80 -3.345 -15.071 6.698 1.00 0.00 C ATOM 1271 C ILE A 80 -4.435 -16.035 7.168 1.00 0.00 C ATOM 1272 O ILE A 80 -4.317 -16.640 8.233 1.00 0.00 O ATOM 1273 CB ILE A 80 -1.939 -15.676 6.711 1.00 0.00 C ATOM 1274 CG1 ILE A 80 -0.886 -14.623 6.364 1.00 0.00 C ATOM 1275 CG2 ILE A 80 -1.860 -16.894 5.788 1.00 0.00 C ATOM 1276 CD1 ILE A 80 -0.948 -14.253 4.880 1.00 0.00 C ATOM 0 H ILE A 80 -2.600 -13.754 8.148 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.556 -14.837 5.655 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.724 -16.023 7.722 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.044 -13.732 6.971 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.107 -15.002 6.607 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.851 -17.306 5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.570 -17.651 6.122 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.103 -16.594 4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.189 -13.502 4.660 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.766 -15.142 4.276 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.934 -13.851 4.646 1.00 0.00 H new ATOM 1288 N ILE A 81 -5.472 -16.149 6.352 1.00 0.00 N ATOM 1289 CA ILE A 81 -6.582 -17.031 6.672 1.00 0.00 C ATOM 1290 C ILE A 81 -6.169 -18.481 6.411 1.00 0.00 C ATOM 1291 O ILE A 81 -6.245 -19.321 7.306 1.00 0.00 O ATOM 1292 CB ILE A 81 -7.841 -16.604 5.912 1.00 0.00 C ATOM 1293 CG1 ILE A 81 -8.273 -15.193 6.316 1.00 0.00 C ATOM 1294 CG2 ILE A 81 -8.966 -17.624 6.099 1.00 0.00 C ATOM 1295 CD1 ILE A 81 -8.413 -15.076 7.835 1.00 0.00 C ATOM 0 H ILE A 81 -5.567 -15.646 5.470 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.834 -16.957 7.730 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.605 -16.576 4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.542 -14.468 5.958 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.223 -14.949 5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.849 -17.297 5.549 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.643 -18.595 5.723 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.209 -17.708 7.158 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.721 -14.063 8.095 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.162 -15.785 8.187 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.455 -15.296 8.307 1.00 0.00 H new