USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 676 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 27 GLN : amide:sc= -1.12 K(o=-1.5,f=-2.9!) USER MOD Set 1.2: A 61 HIS : no HD1:sc= -0.388 X(o=-1.5,f=-1.6) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.531 X(o=-0.53,f=-0.26) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 36:sc= 1.01 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 35:sc= 0.849 USER MOD Single : A 57 SER OG : rot -71:sc= 1.11 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -3.57 F(o=-6.3!,f=-3.6) USER MOD Single : A 64 HIS : no HD1:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 66 GLN : amide:sc= -3.2! C(o=-3.2!,f=-5.1!) USER MOD Single : A 68 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.2!) USER MOD Single : A 70 LYS NZ :NH3+ -158:sc= -0.0614 (180deg=-0.394) USER MOD Single : A 78 ASN : amide:sc= -1.69 K(o=-1.7,f=-6!) USER MOD Single : A 80 GLN : amide:sc= -0.414 K(o=-0.41,f=-2.2!) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.1) USER MOD Single : A 93 ASN : amide:sc= 0.865 K(o=0.87,f=-0.18) USER MOD Single : A 96 GLN : amide:sc= 1.15 K(o=1.2,f=-0.19) USER MOD Single : A 99 HIS : no HD1:sc= -2.62! C(o=-2.6!,f=-3!) USER MOD Single : A 101 THR OG1 : rot 83:sc= -0.0817 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 118 N LEU A 13 -8.172 -2.039 -15.353 1.00 0.00 N ATOM 119 CA LEU A 13 -8.930 -1.490 -14.235 1.00 0.00 C ATOM 120 C LEU A 13 -8.075 -0.528 -13.417 1.00 0.00 C ATOM 121 O LEU A 13 -8.591 0.397 -12.789 1.00 0.00 O ATOM 122 CB LEU A 13 -9.446 -2.618 -13.340 1.00 0.00 C ATOM 123 CG LEU A 13 -10.618 -3.431 -13.892 1.00 0.00 C ATOM 124 CD1 LEU A 13 -11.823 -2.535 -14.132 1.00 0.00 C ATOM 125 CD2 LEU A 13 -10.215 -4.141 -15.177 1.00 0.00 C ATOM 0 HA LEU A 13 -9.778 -0.938 -14.640 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.620 -3.300 -13.137 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.746 -2.188 -12.385 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.893 -4.185 -13.154 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.647 -3.131 -14.525 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.125 -2.072 -13.192 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.562 -1.759 -14.851 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.061 -4.715 -15.556 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.914 -3.404 -15.921 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.381 -4.814 -14.975 1.00 0.00 H new ATOM 137 N PHE A 14 -6.765 -0.750 -13.431 1.00 0.00 N ATOM 138 CA PHE A 14 -5.837 0.098 -12.692 1.00 0.00 C ATOM 139 C PHE A 14 -5.044 0.992 -13.640 1.00 0.00 C ATOM 140 O PHE A 14 -5.157 0.874 -14.860 1.00 0.00 O ATOM 141 CB PHE A 14 -4.881 -0.759 -11.861 1.00 0.00 C ATOM 142 CG PHE A 14 -5.566 -1.867 -11.111 1.00 0.00 C ATOM 143 CD1 PHE A 14 -6.043 -2.982 -11.781 1.00 0.00 C ATOM 144 CD2 PHE A 14 -5.732 -1.792 -9.738 1.00 0.00 C ATOM 145 CE1 PHE A 14 -6.674 -4.002 -11.094 1.00 0.00 C ATOM 146 CE2 PHE A 14 -6.362 -2.809 -9.046 1.00 0.00 C ATOM 147 CZ PHE A 14 -6.833 -3.916 -9.725 1.00 0.00 C ATOM 0 H PHE A 14 -6.322 -1.511 -13.946 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.418 0.733 -12.024 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.126 -1.189 -12.519 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.357 -0.120 -11.150 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -5.920 -3.055 -12.852 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.365 -0.929 -9.202 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.042 -4.866 -11.628 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.486 -2.738 -7.975 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.325 -4.713 -9.186 1.00 0.00 H new ATOM 157 N GLU A 15 -4.241 1.884 -13.070 1.00 0.00 N ATOM 158 CA GLU A 15 -3.429 2.799 -13.864 1.00 0.00 C ATOM 159 C GLU A 15 -1.967 2.748 -13.429 1.00 0.00 C ATOM 160 O GLU A 15 -1.636 3.067 -12.286 1.00 0.00 O ATOM 161 CB GLU A 15 -3.960 4.228 -13.739 1.00 0.00 C ATOM 162 CG GLU A 15 -4.440 4.579 -12.340 1.00 0.00 C ATOM 163 CD GLU A 15 -4.472 6.074 -12.092 1.00 0.00 C ATOM 164 OE1 GLU A 15 -5.080 6.798 -12.909 1.00 0.00 O ATOM 165 OE2 GLU A 15 -3.889 6.522 -11.082 1.00 0.00 O ATOM 0 H GLU A 15 -4.135 1.993 -12.061 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.491 2.486 -14.906 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.174 4.925 -14.030 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.783 4.364 -14.441 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.438 4.168 -12.189 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.786 4.107 -11.607 1.00 0.00 H new ATOM 172 N THR A 16 -1.096 2.344 -14.348 1.00 0.00 N ATOM 173 CA THR A 16 0.330 2.249 -14.060 1.00 0.00 C ATOM 174 C THR A 16 1.057 3.529 -14.454 1.00 0.00 C ATOM 175 O THR A 16 0.830 4.077 -15.533 1.00 0.00 O ATOM 176 CB THR A 16 0.973 1.059 -14.796 1.00 0.00 C ATOM 177 OG1 THR A 16 0.148 -0.104 -14.663 1.00 0.00 O ATOM 178 CG2 THR A 16 2.361 0.768 -14.244 1.00 0.00 C ATOM 0 H THR A 16 -1.353 2.077 -15.298 1.00 0.00 H new ATOM 0 HA THR A 16 0.426 2.097 -12.985 1.00 0.00 H new ATOM 0 HB THR A 16 1.065 1.319 -15.850 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.563 -0.855 -15.135 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.796 -0.076 -14.779 1.00 0.00 H new ATOM 0 HG22 THR A 16 2.995 1.645 -14.373 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.288 0.527 -13.184 1.00 0.00 H new ATOM 186 N TYR A 17 1.932 4.002 -13.573 1.00 0.00 N ATOM 187 CA TYR A 17 2.692 5.220 -13.829 1.00 0.00 C ATOM 188 C TYR A 17 4.084 5.134 -13.210 1.00 0.00 C ATOM 189 O TYR A 17 4.288 4.449 -12.209 1.00 0.00 O ATOM 190 CB TYR A 17 1.948 6.436 -13.274 1.00 0.00 C ATOM 191 CG TYR A 17 1.704 6.367 -11.783 1.00 0.00 C ATOM 192 CD1 TYR A 17 0.589 5.714 -11.272 1.00 0.00 C ATOM 193 CD2 TYR A 17 2.587 6.956 -10.887 1.00 0.00 C ATOM 194 CE1 TYR A 17 0.362 5.649 -9.911 1.00 0.00 C ATOM 195 CE2 TYR A 17 2.368 6.895 -9.524 1.00 0.00 C ATOM 196 CZ TYR A 17 1.254 6.241 -9.041 1.00 0.00 C ATOM 197 OH TYR A 17 1.032 6.179 -7.684 1.00 0.00 O ATOM 0 H TYR A 17 2.132 3.561 -12.676 1.00 0.00 H new ATOM 0 HA TYR A 17 2.801 5.331 -14.908 1.00 0.00 H new ATOM 0 HB2 TYR A 17 2.521 7.336 -13.499 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.991 6.531 -13.787 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.112 5.250 -11.950 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.459 7.470 -11.262 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.509 5.137 -9.530 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.065 7.357 -8.841 1.00 0.00 H new ATOM 0 HH TYR A 17 1.754 6.644 -7.213 1.00 0.00 H new ATOM 207 N ASN A 18 5.037 5.835 -13.815 1.00 0.00 N ATOM 208 CA ASN A 18 6.410 5.839 -13.324 1.00 0.00 C ATOM 209 C ASN A 18 6.734 7.156 -12.625 1.00 0.00 C ATOM 210 O ASN A 18 6.494 8.235 -13.168 1.00 0.00 O ATOM 211 CB ASN A 18 7.387 5.608 -14.478 1.00 0.00 C ATOM 212 CG ASN A 18 6.864 6.148 -15.795 1.00 0.00 C ATOM 213 OD1 ASN A 18 7.217 7.252 -16.210 1.00 0.00 O ATOM 214 ND2 ASN A 18 6.018 5.369 -16.460 1.00 0.00 N ATOM 0 H ASN A 18 4.884 6.407 -14.645 1.00 0.00 H new ATOM 0 HA ASN A 18 6.513 5.029 -12.602 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.339 6.085 -14.245 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.581 4.540 -14.578 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.633 5.679 -17.352 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.753 4.461 -16.078 1.00 0.00 H new ATOM 221 N VAL A 19 7.282 7.060 -11.418 1.00 0.00 N ATOM 222 CA VAL A 19 7.641 8.244 -10.645 1.00 0.00 C ATOM 223 C VAL A 19 9.155 8.396 -10.546 1.00 0.00 C ATOM 224 O VAL A 19 9.831 7.577 -9.926 1.00 0.00 O ATOM 225 CB VAL A 19 7.047 8.188 -9.225 1.00 0.00 C ATOM 226 CG1 VAL A 19 6.912 9.588 -8.647 1.00 0.00 C ATOM 227 CG2 VAL A 19 5.703 7.475 -9.237 1.00 0.00 C ATOM 0 H VAL A 19 7.487 6.175 -10.954 1.00 0.00 H new ATOM 0 HA VAL A 19 7.226 9.104 -11.170 1.00 0.00 H new ATOM 0 HB VAL A 19 7.727 7.622 -8.588 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.491 9.528 -7.643 1.00 0.00 H new ATOM 0 HG12 VAL A 19 7.894 10.059 -8.601 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.254 10.182 -9.282 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.298 7.445 -8.225 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.013 8.011 -9.888 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.834 6.458 -9.606 1.00 0.00 H new ATOM 237 N GLU A 20 9.679 9.452 -11.160 1.00 0.00 N ATOM 238 CA GLU A 20 11.114 9.712 -11.141 1.00 0.00 C ATOM 239 C GLU A 20 11.491 10.594 -9.954 1.00 0.00 C ATOM 240 O GLU A 20 11.459 11.822 -10.044 1.00 0.00 O ATOM 241 CB GLU A 20 11.552 10.380 -12.446 1.00 0.00 C ATOM 242 CG GLU A 20 13.005 10.824 -12.445 1.00 0.00 C ATOM 243 CD GLU A 20 13.250 12.019 -13.346 1.00 0.00 C ATOM 244 OE1 GLU A 20 13.062 11.886 -14.573 1.00 0.00 O ATOM 245 OE2 GLU A 20 13.631 13.087 -12.823 1.00 0.00 O ATOM 0 H GLU A 20 9.132 10.141 -11.676 1.00 0.00 H new ATOM 0 HA GLU A 20 11.629 8.757 -11.040 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.394 9.685 -13.271 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.916 11.246 -12.632 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.304 11.074 -11.427 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.635 9.995 -12.768 1.00 0.00 H new ATOM 252 N LEU A 21 11.848 9.960 -8.843 1.00 0.00 N ATOM 253 CA LEU A 21 12.231 10.686 -7.637 1.00 0.00 C ATOM 254 C LEU A 21 13.681 11.150 -7.718 1.00 0.00 C ATOM 255 O LEU A 21 14.508 10.526 -8.384 1.00 0.00 O ATOM 256 CB LEU A 21 12.034 9.804 -6.403 1.00 0.00 C ATOM 257 CG LEU A 21 10.617 9.276 -6.174 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.605 8.251 -5.051 1.00 0.00 C ATOM 259 CD2 LEU A 21 9.665 10.421 -5.865 1.00 0.00 C ATOM 0 H LEU A 21 11.880 8.945 -8.752 1.00 0.00 H new ATOM 0 HA LEU A 21 11.592 11.565 -7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.710 8.952 -6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 21 12.335 10.373 -5.523 1.00 0.00 H new ATOM 0 HG LEU A 21 10.279 8.787 -7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.589 7.886 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 21 11.255 7.416 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.962 8.714 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.661 10.027 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.999 10.939 -4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 21 9.651 11.119 -6.702 1.00 0.00 H new ATOM 271 N VAL A 22 13.985 12.249 -7.035 1.00 0.00 N ATOM 272 CA VAL A 22 15.337 12.795 -7.027 1.00 0.00 C ATOM 273 C VAL A 22 15.951 12.722 -5.634 1.00 0.00 C ATOM 274 O VAL A 22 15.316 13.087 -4.644 1.00 0.00 O ATOM 275 CB VAL A 22 15.354 14.259 -7.508 1.00 0.00 C ATOM 276 CG1 VAL A 22 14.634 15.156 -6.513 1.00 0.00 C ATOM 277 CG2 VAL A 22 16.783 14.731 -7.726 1.00 0.00 C ATOM 0 H VAL A 22 13.313 12.779 -6.480 1.00 0.00 H new ATOM 0 HA VAL A 22 15.928 12.188 -7.713 1.00 0.00 H new ATOM 0 HB VAL A 22 14.827 14.317 -8.460 1.00 0.00 H new ATOM 0 HG11 VAL A 22 14.656 16.186 -6.869 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.599 14.829 -6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 22 15.130 15.097 -5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.776 15.767 -8.065 1.00 0.00 H new ATOM 0 HG22 VAL A 22 17.337 14.660 -6.790 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.262 14.105 -8.479 1.00 0.00 H new ATOM 287 N ARG A 23 17.191 12.249 -5.563 1.00 0.00 N ATOM 288 CA ARG A 23 17.891 12.127 -4.291 1.00 0.00 C ATOM 289 C ARG A 23 18.869 13.282 -4.096 1.00 0.00 C ATOM 290 O ARG A 23 19.957 13.293 -4.672 1.00 0.00 O ATOM 291 CB ARG A 23 18.639 10.794 -4.221 1.00 0.00 C ATOM 292 CG ARG A 23 17.735 9.580 -4.362 1.00 0.00 C ATOM 293 CD ARG A 23 18.286 8.384 -3.601 1.00 0.00 C ATOM 294 NE ARG A 23 19.553 7.918 -4.158 1.00 0.00 N ATOM 295 CZ ARG A 23 20.418 7.165 -3.487 1.00 0.00 C ATOM 296 NH1 ARG A 23 20.153 6.795 -2.242 1.00 0.00 N ATOM 297 NH2 ARG A 23 21.550 6.780 -4.062 1.00 0.00 N ATOM 0 H ARG A 23 17.731 11.944 -6.372 1.00 0.00 H new ATOM 0 HA ARG A 23 17.150 12.162 -3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 23 19.393 10.768 -5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 23 19.168 10.734 -3.270 1.00 0.00 H new ATOM 0 HG2 ARG A 23 16.739 9.822 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 23 17.629 9.324 -5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 23 18.427 8.654 -2.554 1.00 0.00 H new ATOM 0 HD3 ARG A 23 17.559 7.572 -3.625 1.00 0.00 H new ATOM 0 HE ARG A 23 19.787 8.185 -5.114 1.00 0.00 H new ATOM 0 HH11 ARG A 23 19.283 7.088 -1.797 1.00 0.00 H new ATOM 0 HH12 ARG A 23 20.819 6.217 -1.729 1.00 0.00 H new ATOM 0 HH21 ARG A 23 21.757 7.062 -5.020 1.00 0.00 H new ATOM 0 HH22 ARG A 23 22.213 6.202 -3.546 1.00 0.00 H new ATOM 311 N LYS A 24 18.474 14.253 -3.280 1.00 0.00 N ATOM 312 CA LYS A 24 19.314 15.413 -3.007 1.00 0.00 C ATOM 313 C LYS A 24 20.645 14.989 -2.393 1.00 0.00 C ATOM 314 O LYS A 24 20.831 13.826 -2.035 1.00 0.00 O ATOM 315 CB LYS A 24 18.593 16.382 -2.067 1.00 0.00 C ATOM 316 CG LYS A 24 17.529 17.219 -2.756 1.00 0.00 C ATOM 317 CD LYS A 24 17.042 18.347 -1.862 1.00 0.00 C ATOM 318 CE LYS A 24 16.270 19.392 -2.654 1.00 0.00 C ATOM 319 NZ LYS A 24 17.168 20.441 -3.211 1.00 0.00 N ATOM 0 H LYS A 24 17.576 14.260 -2.796 1.00 0.00 H new ATOM 0 HA LYS A 24 19.514 15.916 -3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 24 18.131 15.815 -1.259 1.00 0.00 H new ATOM 0 HB3 LYS A 24 19.327 17.046 -1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.933 17.634 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 24 16.688 16.584 -3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.405 17.941 -1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 24 17.894 18.817 -1.371 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.731 18.906 -3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.524 19.857 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 16.604 21.134 -3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.664 20.922 -2.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.864 20.001 -3.846 1.00 0.00 H new ATOM 333 N ASP A 25 21.566 15.939 -2.274 1.00 0.00 N ATOM 334 CA ASP A 25 22.878 15.664 -1.701 1.00 0.00 C ATOM 335 C ASP A 25 22.746 14.965 -0.352 1.00 0.00 C ATOM 336 O ASP A 25 22.735 15.610 0.695 1.00 0.00 O ATOM 337 CB ASP A 25 23.671 16.962 -1.541 1.00 0.00 C ATOM 338 CG ASP A 25 23.078 17.876 -0.487 1.00 0.00 C ATOM 339 OD1 ASP A 25 21.847 18.085 -0.507 1.00 0.00 O ATOM 340 OD2 ASP A 25 23.845 18.382 0.359 1.00 0.00 O ATOM 0 H ASP A 25 21.428 16.906 -2.567 1.00 0.00 H new ATOM 0 HA ASP A 25 23.413 15.002 -2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 25 24.701 16.725 -1.274 1.00 0.00 H new ATOM 0 HB3 ASP A 25 23.702 17.486 -2.496 1.00 0.00 H new ATOM 345 N GLY A 26 22.645 13.639 -0.385 1.00 0.00 N ATOM 346 CA GLY A 26 22.514 12.874 0.841 1.00 0.00 C ATOM 347 C GLY A 26 21.105 12.359 1.055 1.00 0.00 C ATOM 348 O GLY A 26 20.912 11.258 1.571 1.00 0.00 O ATOM 0 H GLY A 26 22.652 13.082 -1.239 1.00 0.00 H new ATOM 0 HA2 GLY A 26 23.205 12.032 0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 26 22.802 13.498 1.687 1.00 0.00 H new ATOM 352 N GLN A 27 20.118 13.156 0.658 1.00 0.00 N ATOM 353 CA GLN A 27 18.719 12.774 0.812 1.00 0.00 C ATOM 354 C GLN A 27 18.464 11.392 0.220 1.00 0.00 C ATOM 355 O GLN A 27 18.835 11.116 -0.921 1.00 0.00 O ATOM 356 CB GLN A 27 17.811 13.805 0.140 1.00 0.00 C ATOM 357 CG GLN A 27 16.335 13.607 0.448 1.00 0.00 C ATOM 358 CD GLN A 27 15.436 14.077 -0.679 1.00 0.00 C ATOM 359 OE1 GLN A 27 15.489 13.552 -1.791 1.00 0.00 O ATOM 360 NE2 GLN A 27 14.603 15.072 -0.396 1.00 0.00 N ATOM 0 H GLN A 27 20.261 14.070 0.228 1.00 0.00 H new ATOM 0 HA GLN A 27 18.492 12.740 1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.110 14.803 0.460 1.00 0.00 H new ATOM 0 HB3 GLN A 27 17.958 13.758 -0.939 1.00 0.00 H new ATOM 0 HG2 GLN A 27 16.147 12.551 0.642 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.082 14.148 1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.593 15.478 0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.974 15.430 -1.114 1.00 0.00 H new ATOM 369 N SER A 28 17.830 10.526 1.004 1.00 0.00 N ATOM 370 CA SER A 28 17.529 9.170 0.559 1.00 0.00 C ATOM 371 C SER A 28 16.107 9.081 0.012 1.00 0.00 C ATOM 372 O SER A 28 15.323 10.023 0.132 1.00 0.00 O ATOM 373 CB SER A 28 17.708 8.181 1.712 1.00 0.00 C ATOM 374 OG SER A 28 16.824 8.477 2.779 1.00 0.00 O ATOM 0 H SER A 28 17.515 10.739 1.950 1.00 0.00 H new ATOM 0 HA SER A 28 18.224 8.913 -0.241 1.00 0.00 H new ATOM 0 HB2 SER A 28 17.527 7.167 1.357 1.00 0.00 H new ATOM 0 HB3 SER A 28 18.738 8.215 2.068 1.00 0.00 H new ATOM 0 HG SER A 28 16.957 7.830 3.503 1.00 0.00 H new ATOM 380 N LEU A 29 15.781 7.942 -0.588 1.00 0.00 N ATOM 381 CA LEU A 29 14.454 7.727 -1.154 1.00 0.00 C ATOM 382 C LEU A 29 13.369 8.001 -0.116 1.00 0.00 C ATOM 383 O LEU A 29 12.464 8.801 -0.346 1.00 0.00 O ATOM 384 CB LEU A 29 14.326 6.295 -1.676 1.00 0.00 C ATOM 385 CG LEU A 29 13.354 6.089 -2.839 1.00 0.00 C ATOM 386 CD1 LEU A 29 13.757 6.945 -4.029 1.00 0.00 C ATOM 387 CD2 LEU A 29 13.295 4.620 -3.231 1.00 0.00 C ATOM 0 H LEU A 29 16.418 7.152 -0.695 1.00 0.00 H new ATOM 0 HA LEU A 29 14.323 8.422 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 29 15.313 5.954 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 29 14.014 5.655 -0.850 1.00 0.00 H new ATOM 0 HG LEU A 29 12.360 6.398 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 29 13.054 6.785 -4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.746 7.996 -3.741 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.760 6.668 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.599 4.492 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.286 4.284 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.958 4.029 -2.379 1.00 0.00 H new ATOM 399 N GLY A 30 13.469 7.331 1.028 1.00 0.00 N ATOM 400 CA GLY A 30 12.492 7.517 2.084 1.00 0.00 C ATOM 401 C GLY A 30 11.171 6.840 1.778 1.00 0.00 C ATOM 402 O GLY A 30 10.111 7.458 1.879 1.00 0.00 O ATOM 0 H GLY A 30 14.209 6.663 1.242 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.891 7.122 3.018 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.324 8.583 2.235 1.00 0.00 H new ATOM 406 N ILE A 31 11.233 5.567 1.400 1.00 0.00 N ATOM 407 CA ILE A 31 10.033 4.807 1.077 1.00 0.00 C ATOM 408 C ILE A 31 10.068 3.424 1.720 1.00 0.00 C ATOM 409 O ILE A 31 10.972 2.630 1.460 1.00 0.00 O ATOM 410 CB ILE A 31 9.859 4.648 -0.445 1.00 0.00 C ATOM 411 CG1 ILE A 31 9.784 6.020 -1.118 1.00 0.00 C ATOM 412 CG2 ILE A 31 8.613 3.832 -0.754 1.00 0.00 C ATOM 413 CD1 ILE A 31 9.870 5.959 -2.627 1.00 0.00 C ATOM 0 H ILE A 31 12.102 5.041 1.310 1.00 0.00 H new ATOM 0 HA ILE A 31 9.188 5.369 1.474 1.00 0.00 H new ATOM 0 HB ILE A 31 10.725 4.117 -0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.849 6.504 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.593 6.645 -0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.504 3.729 -1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.704 2.844 -0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.737 4.338 -0.348 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.810 6.968 -3.036 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.817 5.504 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.045 5.361 -3.015 1.00 0.00 H new ATOM 425 N ARG A 32 9.077 3.143 2.560 1.00 0.00 N ATOM 426 CA ARG A 32 8.994 1.857 3.241 1.00 0.00 C ATOM 427 C ARG A 32 8.094 0.893 2.473 1.00 0.00 C ATOM 428 O ARG A 32 6.961 1.228 2.128 1.00 0.00 O ATOM 429 CB ARG A 32 8.465 2.041 4.664 1.00 0.00 C ATOM 430 CG ARG A 32 9.407 2.819 5.568 1.00 0.00 C ATOM 431 CD ARG A 32 10.501 1.925 6.133 1.00 0.00 C ATOM 432 NE ARG A 32 11.681 2.688 6.529 1.00 0.00 N ATOM 433 CZ ARG A 32 12.554 3.193 5.665 1.00 0.00 C ATOM 434 NH1 ARG A 32 12.381 3.017 4.363 1.00 0.00 N ATOM 435 NH2 ARG A 32 13.604 3.877 6.103 1.00 0.00 N ATOM 0 H ARG A 32 8.320 3.789 2.785 1.00 0.00 H new ATOM 0 HA ARG A 32 9.997 1.433 3.287 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.506 2.557 4.622 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.280 1.061 5.103 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.858 3.638 5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 32 8.842 3.266 6.386 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.115 1.381 6.995 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.783 1.182 5.387 1.00 0.00 H new ATOM 0 HE ARG A 32 11.844 2.842 7.524 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.575 2.492 4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.053 3.406 3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.741 4.015 7.104 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.274 4.264 5.438 1.00 0.00 H new ATOM 449 N ILE A 33 8.608 -0.304 2.208 1.00 0.00 N ATOM 450 CA ILE A 33 7.851 -1.316 1.482 1.00 0.00 C ATOM 451 C ILE A 33 7.420 -2.449 2.406 1.00 0.00 C ATOM 452 O ILE A 33 7.865 -2.534 3.551 1.00 0.00 O ATOM 453 CB ILE A 33 8.668 -1.901 0.316 1.00 0.00 C ATOM 454 CG1 ILE A 33 9.893 -2.649 0.848 1.00 0.00 C ATOM 455 CG2 ILE A 33 9.090 -0.798 -0.643 1.00 0.00 C ATOM 456 CD1 ILE A 33 10.329 -3.799 -0.033 1.00 0.00 C ATOM 0 H ILE A 33 9.545 -0.596 2.485 1.00 0.00 H new ATOM 0 HA ILE A 33 6.966 -0.821 1.082 1.00 0.00 H new ATOM 0 HB ILE A 33 8.041 -2.608 -0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.721 -1.947 0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.671 -3.030 1.845 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.667 -1.229 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.204 -0.305 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.702 -0.069 -0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.202 -4.283 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.517 -4.522 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.583 -3.422 -1.024 1.00 0.00 H new ATOM 468 N VAL A 34 6.553 -3.321 1.901 1.00 0.00 N ATOM 469 CA VAL A 34 6.065 -4.452 2.680 1.00 0.00 C ATOM 470 C VAL A 34 5.778 -5.653 1.786 1.00 0.00 C ATOM 471 O VAL A 34 5.400 -5.499 0.625 1.00 0.00 O ATOM 472 CB VAL A 34 4.785 -4.088 3.457 1.00 0.00 C ATOM 473 CG1 VAL A 34 3.587 -4.045 2.522 1.00 0.00 C ATOM 474 CG2 VAL A 34 4.552 -5.075 4.591 1.00 0.00 C ATOM 0 H VAL A 34 6.174 -3.265 0.956 1.00 0.00 H new ATOM 0 HA VAL A 34 6.852 -4.710 3.389 1.00 0.00 H new ATOM 0 HB VAL A 34 4.913 -3.096 3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.692 -3.786 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.756 -3.296 1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.453 -5.022 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.644 -4.803 5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.444 -6.080 4.182 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.400 -5.050 5.275 1.00 0.00 H new ATOM 484 N GLY A 35 5.961 -6.850 2.334 1.00 0.00 N ATOM 485 CA GLY A 35 5.717 -8.061 1.572 1.00 0.00 C ATOM 486 C GLY A 35 4.425 -8.747 1.971 1.00 0.00 C ATOM 487 O GLY A 35 4.340 -9.353 3.039 1.00 0.00 O ATOM 0 H GLY A 35 6.274 -7.003 3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.683 -7.818 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.550 -8.750 1.714 1.00 0.00 H new ATOM 491 N TYR A 36 3.417 -8.650 1.112 1.00 0.00 N ATOM 492 CA TYR A 36 2.121 -9.263 1.382 1.00 0.00 C ATOM 493 C TYR A 36 2.014 -10.629 0.711 1.00 0.00 C ATOM 494 O TYR A 36 2.307 -10.776 -0.476 1.00 0.00 O ATOM 495 CB TYR A 36 0.992 -8.353 0.895 1.00 0.00 C ATOM 496 CG TYR A 36 0.410 -7.476 1.980 1.00 0.00 C ATOM 497 CD1 TYR A 36 -0.623 -7.931 2.789 1.00 0.00 C ATOM 498 CD2 TYR A 36 0.895 -6.192 2.196 1.00 0.00 C ATOM 499 CE1 TYR A 36 -1.158 -7.132 3.781 1.00 0.00 C ATOM 500 CE2 TYR A 36 0.367 -5.386 3.187 1.00 0.00 C ATOM 501 CZ TYR A 36 -0.659 -5.861 3.976 1.00 0.00 C ATOM 502 OH TYR A 36 -1.189 -5.062 4.965 1.00 0.00 O ATOM 0 H TYR A 36 3.472 -8.153 0.223 1.00 0.00 H new ATOM 0 HA TYR A 36 2.029 -9.400 2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.368 -7.720 0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.198 -8.968 0.472 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.015 -8.926 2.640 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.698 -5.817 1.579 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.962 -7.501 4.400 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.756 -4.390 3.342 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.726 -4.199 4.971 1.00 0.00 H new ATOM 624 N SER A 46 -1.761 -9.705 -2.186 1.00 0.00 N ATOM 625 CA SER A 46 -0.447 -10.322 -2.329 1.00 0.00 C ATOM 626 C SER A 46 0.446 -9.494 -3.247 1.00 0.00 C ATOM 627 O SER A 46 0.192 -9.386 -4.446 1.00 0.00 O ATOM 628 CB SER A 46 -0.585 -11.743 -2.879 1.00 0.00 C ATOM 629 OG SER A 46 -1.000 -11.728 -4.233 1.00 0.00 O ATOM 0 HA SER A 46 0.016 -10.364 -1.343 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.369 -12.263 -2.794 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.306 -12.299 -2.281 1.00 0.00 H new ATOM 0 HG SER A 46 -0.586 -10.968 -4.694 1.00 0.00 H new ATOM 635 N GLY A 47 1.493 -8.909 -2.674 1.00 0.00 N ATOM 636 CA GLY A 47 2.409 -8.097 -3.454 1.00 0.00 C ATOM 637 C GLY A 47 3.100 -7.038 -2.619 1.00 0.00 C ATOM 638 O GLY A 47 2.936 -6.994 -1.400 1.00 0.00 O ATOM 0 H GLY A 47 1.724 -8.983 -1.683 1.00 0.00 H new ATOM 0 HA2 GLY A 47 3.160 -8.741 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.863 -7.616 -4.265 1.00 0.00 H new ATOM 642 N ILE A 48 3.876 -6.182 -3.276 1.00 0.00 N ATOM 643 CA ILE A 48 4.595 -5.119 -2.586 1.00 0.00 C ATOM 644 C ILE A 48 3.719 -3.882 -2.419 1.00 0.00 C ATOM 645 O ILE A 48 3.000 -3.489 -3.338 1.00 0.00 O ATOM 646 CB ILE A 48 5.880 -4.727 -3.339 1.00 0.00 C ATOM 647 CG1 ILE A 48 6.798 -5.941 -3.493 1.00 0.00 C ATOM 648 CG2 ILE A 48 6.599 -3.601 -2.611 1.00 0.00 C ATOM 649 CD1 ILE A 48 6.882 -6.796 -2.248 1.00 0.00 C ATOM 0 H ILE A 48 4.022 -6.204 -4.285 1.00 0.00 H new ATOM 0 HA ILE A 48 4.864 -5.506 -1.603 1.00 0.00 H new ATOM 0 HB ILE A 48 5.607 -4.374 -4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.441 -6.553 -4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.799 -5.599 -3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.505 -3.336 -3.156 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.945 -2.731 -2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.863 -3.928 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.550 -7.638 -2.429 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.267 -6.199 -1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.889 -7.168 -1.995 1.00 0.00 H new ATOM 661 N TYR A 49 3.787 -3.271 -1.241 1.00 0.00 N ATOM 662 CA TYR A 49 2.999 -2.078 -0.953 1.00 0.00 C ATOM 663 C TYR A 49 3.782 -1.108 -0.073 1.00 0.00 C ATOM 664 O TYR A 49 4.605 -1.520 0.745 1.00 0.00 O ATOM 665 CB TYR A 49 1.687 -2.461 -0.267 1.00 0.00 C ATOM 666 CG TYR A 49 0.816 -3.378 -1.096 1.00 0.00 C ATOM 667 CD1 TYR A 49 1.079 -4.740 -1.168 1.00 0.00 C ATOM 668 CD2 TYR A 49 -0.269 -2.881 -1.808 1.00 0.00 C ATOM 669 CE1 TYR A 49 0.286 -5.581 -1.925 1.00 0.00 C ATOM 670 CE2 TYR A 49 -1.068 -3.715 -2.566 1.00 0.00 C ATOM 671 CZ TYR A 49 -0.786 -5.064 -2.622 1.00 0.00 C ATOM 672 OH TYR A 49 -1.579 -5.898 -3.377 1.00 0.00 O ATOM 0 H TYR A 49 4.379 -3.582 -0.471 1.00 0.00 H new ATOM 0 HA TYR A 49 2.776 -1.584 -1.898 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.911 -2.947 0.682 1.00 0.00 H new ATOM 0 HB3 TYR A 49 1.129 -1.554 -0.036 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.917 -5.148 -0.623 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -0.491 -1.825 -1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.504 -6.638 -1.971 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.909 -3.313 -3.112 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.290 -5.376 -3.803 1.00 0.00 H new ATOM 682 N VAL A 50 3.518 0.183 -0.246 1.00 0.00 N ATOM 683 CA VAL A 50 4.196 1.213 0.533 1.00 0.00 C ATOM 684 C VAL A 50 3.682 1.243 1.968 1.00 0.00 C ATOM 685 O VAL A 50 2.630 1.817 2.251 1.00 0.00 O ATOM 686 CB VAL A 50 4.009 2.606 -0.097 1.00 0.00 C ATOM 687 CG1 VAL A 50 4.537 3.688 0.833 1.00 0.00 C ATOM 688 CG2 VAL A 50 4.698 2.674 -1.452 1.00 0.00 C ATOM 0 H VAL A 50 2.840 0.541 -0.918 1.00 0.00 H new ATOM 0 HA VAL A 50 5.257 0.963 0.535 1.00 0.00 H new ATOM 0 HB VAL A 50 2.943 2.778 -0.247 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.396 4.665 0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.995 3.652 1.778 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.599 3.523 1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.556 3.665 -1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.764 2.481 -1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.269 1.924 -2.117 1.00 0.00 H new ATOM 698 N LYS A 51 4.432 0.622 2.872 1.00 0.00 N ATOM 699 CA LYS A 51 4.054 0.578 4.280 1.00 0.00 C ATOM 700 C LYS A 51 3.984 1.983 4.868 1.00 0.00 C ATOM 701 O LYS A 51 3.069 2.304 5.626 1.00 0.00 O ATOM 702 CB LYS A 51 5.055 -0.268 5.071 1.00 0.00 C ATOM 703 CG LYS A 51 4.740 -0.353 6.554 1.00 0.00 C ATOM 704 CD LYS A 51 3.688 -1.411 6.841 1.00 0.00 C ATOM 705 CE LYS A 51 3.529 -1.649 8.335 1.00 0.00 C ATOM 706 NZ LYS A 51 2.725 -0.577 8.985 1.00 0.00 N ATOM 0 H LYS A 51 5.305 0.142 2.655 1.00 0.00 H new ATOM 0 HA LYS A 51 3.066 0.123 4.352 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.076 -1.275 4.654 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.053 0.151 4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.650 -0.584 7.107 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.389 0.616 6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.733 -1.100 6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.966 -2.344 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.049 -2.614 8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.513 -1.699 8.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.640 -0.776 10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.196 0.340 8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.777 -0.546 8.558 1.00 0.00 H new ATOM 720 N SER A 52 4.955 2.818 4.512 1.00 0.00 N ATOM 721 CA SER A 52 5.004 4.189 5.007 1.00 0.00 C ATOM 722 C SER A 52 5.916 5.049 4.137 1.00 0.00 C ATOM 723 O SER A 52 6.549 4.554 3.204 1.00 0.00 O ATOM 724 CB SER A 52 5.492 4.213 6.457 1.00 0.00 C ATOM 725 OG SER A 52 4.414 4.048 7.361 1.00 0.00 O ATOM 0 H SER A 52 5.718 2.569 3.883 1.00 0.00 H new ATOM 0 HA SER A 52 3.996 4.601 4.964 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.224 3.420 6.611 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.998 5.157 6.658 1.00 0.00 H new ATOM 0 HG SER A 52 3.751 3.441 6.972 1.00 0.00 H new ATOM 731 N VAL A 53 5.978 6.339 4.450 1.00 0.00 N ATOM 732 CA VAL A 53 6.813 7.269 3.698 1.00 0.00 C ATOM 733 C VAL A 53 7.461 8.295 4.621 1.00 0.00 C ATOM 734 O VAL A 53 6.782 9.154 5.185 1.00 0.00 O ATOM 735 CB VAL A 53 6.000 8.007 2.619 1.00 0.00 C ATOM 736 CG1 VAL A 53 6.877 9.004 1.877 1.00 0.00 C ATOM 737 CG2 VAL A 53 5.373 7.013 1.652 1.00 0.00 C ATOM 0 H VAL A 53 5.460 6.764 5.219 1.00 0.00 H new ATOM 0 HA VAL A 53 7.590 6.677 3.215 1.00 0.00 H new ATOM 0 HB VAL A 53 5.198 8.560 3.108 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.285 9.516 1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.274 9.735 2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.702 8.477 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.802 7.552 0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.158 6.432 1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.710 6.343 2.199 1.00 0.00 H new ATOM 747 N ILE A 54 8.778 8.200 4.771 1.00 0.00 N ATOM 748 CA ILE A 54 9.518 9.121 5.624 1.00 0.00 C ATOM 749 C ILE A 54 9.350 10.562 5.153 1.00 0.00 C ATOM 750 O ILE A 54 9.400 10.861 3.960 1.00 0.00 O ATOM 751 CB ILE A 54 11.018 8.775 5.658 1.00 0.00 C ATOM 752 CG1 ILE A 54 11.225 7.354 6.186 1.00 0.00 C ATOM 753 CG2 ILE A 54 11.774 9.780 6.515 1.00 0.00 C ATOM 754 CD1 ILE A 54 11.042 6.285 5.132 1.00 0.00 C ATOM 0 H ILE A 54 9.354 7.494 4.313 1.00 0.00 H new ATOM 0 HA ILE A 54 9.108 9.020 6.629 1.00 0.00 H new ATOM 0 HB ILE A 54 11.410 8.825 4.642 1.00 0.00 H new ATOM 0 HG12 ILE A 54 12.229 7.273 6.604 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.525 7.172 7.001 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.833 9.522 6.529 1.00 0.00 H new ATOM 0 HG22 ILE A 54 11.650 10.780 6.099 1.00 0.00 H new ATOM 0 HG23 ILE A 54 11.382 9.759 7.532 1.00 0.00 H new ATOM 0 HD11 ILE A 54 11.204 5.303 5.577 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.030 6.339 4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 54 11.760 6.441 4.327 1.00 0.00 H new ATOM 766 N PRO A 55 9.147 11.478 6.112 1.00 0.00 N ATOM 767 CA PRO A 55 8.970 12.903 5.820 1.00 0.00 C ATOM 768 C PRO A 55 10.257 13.559 5.329 1.00 0.00 C ATOM 769 O PRO A 55 11.347 13.017 5.506 1.00 0.00 O ATOM 770 CB PRO A 55 8.551 13.492 7.169 1.00 0.00 C ATOM 771 CG PRO A 55 9.116 12.558 8.183 1.00 0.00 C ATOM 772 CD PRO A 55 9.075 11.192 7.555 1.00 0.00 C ATOM 0 HA PRO A 55 8.245 13.069 5.023 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.942 14.501 7.299 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.466 13.558 7.252 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.137 12.837 8.445 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.533 12.582 9.104 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.910 10.573 7.884 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.161 10.658 7.814 1.00 0.00 H new ATOM 780 N GLY A 56 10.122 14.729 4.713 1.00 0.00 N ATOM 781 CA GLY A 56 11.282 15.439 4.207 1.00 0.00 C ATOM 782 C GLY A 56 12.151 14.570 3.319 1.00 0.00 C ATOM 783 O GLY A 56 13.328 14.865 3.112 1.00 0.00 O ATOM 0 H GLY A 56 9.230 15.198 4.555 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.953 16.313 3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.875 15.804 5.045 1.00 0.00 H new ATOM 787 N SER A 57 11.570 13.496 2.793 1.00 0.00 N ATOM 788 CA SER A 57 12.302 12.579 1.927 1.00 0.00 C ATOM 789 C SER A 57 11.899 12.773 0.468 1.00 0.00 C ATOM 790 O SER A 57 10.888 13.408 0.171 1.00 0.00 O ATOM 791 CB SER A 57 12.047 11.131 2.350 1.00 0.00 C ATOM 792 OG SER A 57 10.765 10.696 1.932 1.00 0.00 O ATOM 0 H SER A 57 10.595 13.240 2.951 1.00 0.00 H new ATOM 0 HA SER A 57 13.366 12.796 2.025 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.812 10.484 1.921 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.128 11.046 3.434 1.00 0.00 H new ATOM 0 HG SER A 57 10.077 11.145 2.466 1.00 0.00 H new ATOM 798 N ALA A 58 12.699 12.219 -0.438 1.00 0.00 N ATOM 799 CA ALA A 58 12.426 12.328 -1.866 1.00 0.00 C ATOM 800 C ALA A 58 10.974 11.979 -2.176 1.00 0.00 C ATOM 801 O ALA A 58 10.284 12.719 -2.876 1.00 0.00 O ATOM 802 CB ALA A 58 13.367 11.428 -2.653 1.00 0.00 C ATOM 0 H ALA A 58 13.541 11.691 -0.208 1.00 0.00 H new ATOM 0 HA ALA A 58 12.595 13.362 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.152 11.519 -3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.398 11.726 -2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.226 10.393 -2.342 1.00 0.00 H new ATOM 808 N ALA A 59 10.518 10.847 -1.650 1.00 0.00 N ATOM 809 CA ALA A 59 9.148 10.401 -1.870 1.00 0.00 C ATOM 810 C ALA A 59 8.146 11.441 -1.378 1.00 0.00 C ATOM 811 O ALA A 59 7.289 11.898 -2.135 1.00 0.00 O ATOM 812 CB ALA A 59 8.909 9.067 -1.178 1.00 0.00 C ATOM 0 H ALA A 59 11.077 10.222 -1.069 1.00 0.00 H new ATOM 0 HA ALA A 59 9.002 10.273 -2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.882 8.746 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.595 8.321 -1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.079 9.177 -0.107 1.00 0.00 H new ATOM 818 N TYR A 60 8.259 11.809 -0.107 1.00 0.00 N ATOM 819 CA TYR A 60 7.361 12.792 0.487 1.00 0.00 C ATOM 820 C TYR A 60 7.330 14.072 -0.344 1.00 0.00 C ATOM 821 O TYR A 60 6.285 14.461 -0.867 1.00 0.00 O ATOM 822 CB TYR A 60 7.795 13.111 1.919 1.00 0.00 C ATOM 823 CG TYR A 60 6.917 14.133 2.604 1.00 0.00 C ATOM 824 CD1 TYR A 60 5.775 13.747 3.294 1.00 0.00 C ATOM 825 CD2 TYR A 60 7.230 15.487 2.562 1.00 0.00 C ATOM 826 CE1 TYR A 60 4.969 14.678 3.921 1.00 0.00 C ATOM 827 CE2 TYR A 60 6.431 16.424 3.187 1.00 0.00 C ATOM 828 CZ TYR A 60 5.301 16.015 3.864 1.00 0.00 C ATOM 829 OH TYR A 60 4.502 16.945 4.489 1.00 0.00 O ATOM 0 H TYR A 60 8.964 11.441 0.532 1.00 0.00 H new ATOM 0 HA TYR A 60 6.358 12.367 0.505 1.00 0.00 H new ATOM 0 HB2 TYR A 60 7.792 12.191 2.504 1.00 0.00 H new ATOM 0 HB3 TYR A 60 8.822 13.477 1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 60 5.512 12.701 3.341 1.00 0.00 H new ATOM 0 HD2 TYR A 60 8.113 15.811 2.032 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.084 14.360 4.453 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.690 17.472 3.146 1.00 0.00 H new ATOM 0 HH TYR A 60 4.876 17.841 4.354 1.00 0.00 H new ATOM 839 N HIS A 61 8.483 14.723 -0.460 1.00 0.00 N ATOM 840 CA HIS A 61 8.589 15.959 -1.227 1.00 0.00 C ATOM 841 C HIS A 61 7.873 15.829 -2.568 1.00 0.00 C ATOM 842 O HIS A 61 7.011 16.641 -2.903 1.00 0.00 O ATOM 843 CB HIS A 61 10.058 16.319 -1.454 1.00 0.00 C ATOM 844 CG HIS A 61 10.636 17.183 -0.375 1.00 0.00 C ATOM 845 ND1 HIS A 61 9.909 18.152 0.283 1.00 0.00 N ATOM 846 CD2 HIS A 61 11.878 17.218 0.160 1.00 0.00 C ATOM 847 CE1 HIS A 61 10.680 18.748 1.175 1.00 0.00 C ATOM 848 NE2 HIS A 61 11.880 18.199 1.121 1.00 0.00 N ATOM 0 H HIS A 61 9.357 14.415 -0.033 1.00 0.00 H new ATOM 0 HA HIS A 61 8.112 16.754 -0.655 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.642 15.401 -1.525 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.154 16.833 -2.410 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.713 16.591 -0.117 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.380 19.548 1.836 1.00 0.00 H new ATOM 0 HE2 HIS A 61 12.678 18.461 1.699 1.00 0.00 H new ATOM 857 N ASN A 62 8.236 14.803 -3.331 1.00 0.00 N ATOM 858 CA ASN A 62 7.629 14.568 -4.636 1.00 0.00 C ATOM 859 C ASN A 62 6.111 14.705 -4.562 1.00 0.00 C ATOM 860 O ASN A 62 5.521 15.558 -5.224 1.00 0.00 O ATOM 861 CB ASN A 62 8.002 13.177 -5.152 1.00 0.00 C ATOM 862 CG ASN A 62 8.059 13.119 -6.666 1.00 0.00 C ATOM 863 OD1 ASN A 62 7.599 12.009 -7.233 1.00 0.00 O flip ATOM 864 ND2 ASN A 62 8.511 14.060 -7.318 1.00 0.00 N flip ATOM 0 H ASN A 62 8.948 14.121 -3.068 1.00 0.00 H new ATOM 0 HA ASN A 62 8.011 15.319 -5.327 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.970 12.888 -4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.274 12.451 -4.790 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.854 14.894 -6.840 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.543 14.006 -8.336 1.00 0.00 H new ATOM 871 N GLY A 63 5.484 13.859 -3.750 1.00 0.00 N ATOM 872 CA GLY A 63 4.041 13.902 -3.604 1.00 0.00 C ATOM 873 C GLY A 63 3.329 13.031 -4.619 1.00 0.00 C ATOM 874 O GLY A 63 2.141 13.219 -4.885 1.00 0.00 O ATOM 0 H GLY A 63 5.950 13.145 -3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.771 13.578 -2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.699 14.931 -3.710 1.00 0.00 H new ATOM 878 N HIS A 64 4.056 12.075 -5.190 1.00 0.00 N ATOM 879 CA HIS A 64 3.486 11.172 -6.184 1.00 0.00 C ATOM 880 C HIS A 64 3.315 9.769 -5.608 1.00 0.00 C ATOM 881 O HIS A 64 2.349 9.073 -5.922 1.00 0.00 O ATOM 882 CB HIS A 64 4.376 11.120 -7.426 1.00 0.00 C ATOM 883 CG HIS A 64 4.243 12.324 -8.308 1.00 0.00 C ATOM 884 ND1 HIS A 64 3.348 12.395 -9.355 1.00 0.00 N ATOM 885 CD2 HIS A 64 4.897 13.509 -8.293 1.00 0.00 C ATOM 886 CE1 HIS A 64 3.459 13.571 -9.947 1.00 0.00 C ATOM 887 NE2 HIS A 64 4.392 14.266 -9.321 1.00 0.00 N ATOM 0 H HIS A 64 5.040 11.906 -4.981 1.00 0.00 H new ATOM 0 HA HIS A 64 2.504 11.553 -6.465 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.416 11.021 -7.114 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.130 10.228 -8.002 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.672 13.804 -7.601 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.885 13.907 -10.798 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.689 15.212 -9.562 1.00 0.00 H new ATOM 896 N ILE A 65 4.258 9.362 -4.765 1.00 0.00 N ATOM 897 CA ILE A 65 4.210 8.043 -4.146 1.00 0.00 C ATOM 898 C ILE A 65 3.653 8.121 -2.728 1.00 0.00 C ATOM 899 O ILE A 65 4.237 8.765 -1.857 1.00 0.00 O ATOM 900 CB ILE A 65 5.604 7.390 -4.103 1.00 0.00 C ATOM 901 CG1 ILE A 65 6.132 7.169 -5.522 1.00 0.00 C ATOM 902 CG2 ILE A 65 5.550 6.075 -3.340 1.00 0.00 C ATOM 903 CD1 ILE A 65 7.640 7.215 -5.620 1.00 0.00 C ATOM 0 H ILE A 65 5.064 9.926 -4.495 1.00 0.00 H new ATOM 0 HA ILE A 65 3.550 7.430 -4.760 1.00 0.00 H new ATOM 0 HB ILE A 65 6.287 8.061 -3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.782 6.203 -5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.710 7.928 -6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.543 5.626 -3.318 1.00 0.00 H new ATOM 0 HG22 ILE A 65 5.213 6.260 -2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.855 5.396 -3.834 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.943 7.050 -6.654 1.00 0.00 H new ATOM 0 HD12 ILE A 65 7.997 8.190 -5.288 1.00 0.00 H new ATOM 0 HD13 ILE A 65 8.070 6.438 -4.988 1.00 0.00 H new ATOM 915 N GLN A 66 2.522 7.460 -2.505 1.00 0.00 N ATOM 916 CA GLN A 66 1.888 7.454 -1.192 1.00 0.00 C ATOM 917 C GLN A 66 1.587 6.028 -0.740 1.00 0.00 C ATOM 918 O GLN A 66 1.696 5.082 -1.520 1.00 0.00 O ATOM 919 CB GLN A 66 0.597 8.274 -1.222 1.00 0.00 C ATOM 920 CG GLN A 66 0.754 9.630 -1.892 1.00 0.00 C ATOM 921 CD GLN A 66 0.496 9.577 -3.385 1.00 0.00 C ATOM 922 OE1 GLN A 66 -0.174 8.670 -3.879 1.00 0.00 O ATOM 923 NE2 GLN A 66 1.027 10.553 -4.113 1.00 0.00 N ATOM 0 H GLN A 66 2.026 6.922 -3.216 1.00 0.00 H new ATOM 0 HA GLN A 66 2.580 7.904 -0.480 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.172 7.706 -1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.246 8.421 -0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.065 10.340 -1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.762 10.004 -1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.576 11.285 -3.662 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.886 10.570 -5.123 1.00 0.00 H new ATOM 932 N VAL A 67 1.209 5.882 0.526 1.00 0.00 N ATOM 933 CA VAL A 67 0.893 4.573 1.083 1.00 0.00 C ATOM 934 C VAL A 67 -0.345 3.978 0.420 1.00 0.00 C ATOM 935 O VAL A 67 -0.984 4.620 -0.412 1.00 0.00 O ATOM 936 CB VAL A 67 0.660 4.650 2.604 1.00 0.00 C ATOM 937 CG1 VAL A 67 1.927 5.097 3.316 1.00 0.00 C ATOM 938 CG2 VAL A 67 -0.496 5.588 2.918 1.00 0.00 C ATOM 0 H VAL A 67 1.114 6.655 1.185 1.00 0.00 H new ATOM 0 HA VAL A 67 1.752 3.931 0.887 1.00 0.00 H new ATOM 0 HB VAL A 67 0.400 3.655 2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.743 5.146 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.727 4.384 3.117 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.220 6.082 2.953 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.647 5.631 3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.267 6.586 2.544 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.403 5.220 2.439 1.00 0.00 H new ATOM 948 N ASN A 68 -0.678 2.748 0.797 1.00 0.00 N ATOM 949 CA ASN A 68 -1.840 2.066 0.238 1.00 0.00 C ATOM 950 C ASN A 68 -1.700 1.901 -1.272 1.00 0.00 C ATOM 951 O ASN A 68 -2.691 1.915 -2.003 1.00 0.00 O ATOM 952 CB ASN A 68 -3.118 2.843 0.562 1.00 0.00 C ATOM 953 CG ASN A 68 -3.727 2.428 1.887 1.00 0.00 C ATOM 954 OD1 ASN A 68 -3.467 1.334 2.387 1.00 0.00 O ATOM 955 ND2 ASN A 68 -4.544 3.303 2.462 1.00 0.00 N ATOM 0 H ASN A 68 -0.160 2.203 1.487 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.901 1.076 0.689 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.895 3.910 0.586 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.846 2.687 -0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.984 3.079 3.354 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.731 4.199 2.011 1.00 0.00 H new ATOM 962 N ASP A 69 -0.464 1.744 -1.733 1.00 0.00 N ATOM 963 CA ASP A 69 -0.194 1.575 -3.156 1.00 0.00 C ATOM 964 C ASP A 69 0.498 0.242 -3.422 1.00 0.00 C ATOM 965 O ASP A 69 1.054 -0.375 -2.512 1.00 0.00 O ATOM 966 CB ASP A 69 0.671 2.725 -3.673 1.00 0.00 C ATOM 967 CG ASP A 69 -0.147 3.955 -4.016 1.00 0.00 C ATOM 968 OD1 ASP A 69 -1.293 4.060 -3.531 1.00 0.00 O ATOM 969 OD2 ASP A 69 0.360 4.812 -4.770 1.00 0.00 O ATOM 0 H ASP A 69 0.367 1.730 -1.142 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.147 1.582 -3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.414 2.985 -2.919 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.216 2.396 -4.558 1.00 0.00 H new ATOM 974 N LYS A 70 0.460 -0.199 -4.675 1.00 0.00 N ATOM 975 CA LYS A 70 1.083 -1.458 -5.063 1.00 0.00 C ATOM 976 C LYS A 70 2.152 -1.232 -6.127 1.00 0.00 C ATOM 977 O LYS A 70 1.871 -0.691 -7.197 1.00 0.00 O ATOM 978 CB LYS A 70 0.027 -2.434 -5.586 1.00 0.00 C ATOM 979 CG LYS A 70 0.351 -3.891 -5.303 1.00 0.00 C ATOM 980 CD LYS A 70 1.522 -4.375 -6.142 1.00 0.00 C ATOM 981 CE LYS A 70 1.072 -4.808 -7.529 1.00 0.00 C ATOM 982 NZ LYS A 70 0.227 -6.033 -7.480 1.00 0.00 N ATOM 0 H LYS A 70 0.003 0.298 -5.440 1.00 0.00 H new ATOM 0 HA LYS A 70 1.559 -1.885 -4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.935 -2.191 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.081 -2.297 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.585 -4.014 -4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.525 -4.506 -5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.261 -3.579 -6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.011 -5.210 -5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.512 -3.999 -7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.946 -4.994 -8.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.248 -6.506 -8.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.594 -6.679 -6.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.752 -5.770 -7.247 1.00 0.00 H new ATOM 996 N ILE A 71 3.378 -1.649 -5.827 1.00 0.00 N ATOM 997 CA ILE A 71 4.487 -1.493 -6.760 1.00 0.00 C ATOM 998 C ILE A 71 4.625 -2.716 -7.659 1.00 0.00 C ATOM 999 O ILE A 71 4.562 -3.854 -7.193 1.00 0.00 O ATOM 1000 CB ILE A 71 5.817 -1.262 -6.019 1.00 0.00 C ATOM 1001 CG1 ILE A 71 5.693 -0.074 -5.062 1.00 0.00 C ATOM 1002 CG2 ILE A 71 6.945 -1.031 -7.014 1.00 0.00 C ATOM 1003 CD1 ILE A 71 6.668 -0.126 -3.906 1.00 0.00 C ATOM 0 H ILE A 71 3.628 -2.097 -4.946 1.00 0.00 H new ATOM 0 HA ILE A 71 4.264 -0.619 -7.372 1.00 0.00 H new ATOM 0 HB ILE A 71 6.050 -2.153 -5.435 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.851 0.849 -5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.677 -0.039 -4.669 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.878 -0.869 -6.475 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.045 -1.904 -7.659 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.720 -0.154 -7.622 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.524 0.747 -3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.496 -1.032 -3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.688 -0.130 -4.290 1.00 0.00 H new ATOM 1015 N VAL A 72 4.815 -2.475 -8.953 1.00 0.00 N ATOM 1016 CA VAL A 72 4.965 -3.557 -9.918 1.00 0.00 C ATOM 1017 C VAL A 72 6.379 -3.594 -10.487 1.00 0.00 C ATOM 1018 O VAL A 72 6.849 -4.636 -10.943 1.00 0.00 O ATOM 1019 CB VAL A 72 3.961 -3.418 -11.078 1.00 0.00 C ATOM 1020 CG1 VAL A 72 2.574 -3.861 -10.639 1.00 0.00 C ATOM 1021 CG2 VAL A 72 3.935 -1.986 -11.591 1.00 0.00 C ATOM 0 H VAL A 72 4.869 -1.540 -9.356 1.00 0.00 H new ATOM 0 HA VAL A 72 4.766 -4.486 -9.384 1.00 0.00 H new ATOM 0 HB VAL A 72 4.282 -4.066 -11.894 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.878 -3.756 -11.471 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.608 -4.904 -10.324 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.241 -3.241 -9.807 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.220 -1.906 -12.410 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.639 -1.316 -10.784 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.927 -1.709 -11.947 1.00 0.00 H new ATOM 1031 N ALA A 73 7.054 -2.449 -10.455 1.00 0.00 N ATOM 1032 CA ALA A 73 8.416 -2.351 -10.965 1.00 0.00 C ATOM 1033 C ALA A 73 9.171 -1.207 -10.297 1.00 0.00 C ATOM 1034 O ALA A 73 8.610 -0.138 -10.054 1.00 0.00 O ATOM 1035 CB ALA A 73 8.403 -2.167 -12.475 1.00 0.00 C ATOM 0 H ALA A 73 6.680 -1.577 -10.081 1.00 0.00 H new ATOM 0 HA ALA A 73 8.934 -3.281 -10.728 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.427 -2.095 -12.842 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.909 -3.020 -12.941 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.863 -1.254 -12.726 1.00 0.00 H new ATOM 1041 N VAL A 74 10.446 -1.438 -10.000 1.00 0.00 N ATOM 1042 CA VAL A 74 11.278 -0.426 -9.361 1.00 0.00 C ATOM 1043 C VAL A 74 12.508 -0.112 -10.205 1.00 0.00 C ATOM 1044 O VAL A 74 13.296 -1.001 -10.527 1.00 0.00 O ATOM 1045 CB VAL A 74 11.732 -0.877 -7.959 1.00 0.00 C ATOM 1046 CG1 VAL A 74 12.622 0.179 -7.321 1.00 0.00 C ATOM 1047 CG2 VAL A 74 10.527 -1.174 -7.079 1.00 0.00 C ATOM 0 H VAL A 74 10.925 -2.318 -10.192 1.00 0.00 H new ATOM 0 HA VAL A 74 10.668 0.472 -9.266 1.00 0.00 H new ATOM 0 HB VAL A 74 12.313 -1.794 -8.061 1.00 0.00 H new ATOM 0 HG11 VAL A 74 12.933 -0.157 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 74 13.502 0.337 -7.944 1.00 0.00 H new ATOM 0 HG13 VAL A 74 12.069 1.114 -7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.866 -1.491 -6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.917 -0.276 -6.982 1.00 0.00 H new ATOM 0 HG23 VAL A 74 9.933 -1.968 -7.531 1.00 0.00 H new ATOM 1057 N ASP A 75 12.666 1.159 -10.559 1.00 0.00 N ATOM 1058 CA ASP A 75 13.802 1.592 -11.365 1.00 0.00 C ATOM 1059 C ASP A 75 13.818 0.874 -12.711 1.00 0.00 C ATOM 1060 O ASP A 75 14.877 0.657 -13.298 1.00 0.00 O ATOM 1061 CB ASP A 75 15.112 1.333 -10.619 1.00 0.00 C ATOM 1062 CG ASP A 75 16.195 2.327 -10.990 1.00 0.00 C ATOM 1063 OD1 ASP A 75 15.850 3.432 -11.458 1.00 0.00 O ATOM 1064 OD2 ASP A 75 17.387 1.999 -10.813 1.00 0.00 O ATOM 0 H ASP A 75 12.022 1.907 -10.301 1.00 0.00 H new ATOM 0 HA ASP A 75 13.701 2.662 -11.546 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.931 1.381 -9.545 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.459 0.323 -10.839 1.00 0.00 H new ATOM 1069 N GLY A 76 12.635 0.507 -13.195 1.00 0.00 N ATOM 1070 CA GLY A 76 12.536 -0.184 -14.467 1.00 0.00 C ATOM 1071 C GLY A 76 12.773 -1.675 -14.338 1.00 0.00 C ATOM 1072 O GLY A 76 13.079 -2.351 -15.320 1.00 0.00 O ATOM 0 H GLY A 76 11.744 0.676 -12.729 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.548 -0.012 -14.894 1.00 0.00 H new ATOM 0 HA3 GLY A 76 13.262 0.237 -15.163 1.00 0.00 H new ATOM 1076 N VAL A 77 12.633 -2.192 -13.121 1.00 0.00 N ATOM 1077 CA VAL A 77 12.834 -3.613 -12.865 1.00 0.00 C ATOM 1078 C VAL A 77 11.557 -4.264 -12.346 1.00 0.00 C ATOM 1079 O VAL A 77 11.069 -3.925 -11.268 1.00 0.00 O ATOM 1080 CB VAL A 77 13.966 -3.846 -11.848 1.00 0.00 C ATOM 1081 CG1 VAL A 77 14.073 -5.321 -11.496 1.00 0.00 C ATOM 1082 CG2 VAL A 77 15.287 -3.322 -12.392 1.00 0.00 C ATOM 0 H VAL A 77 12.381 -1.647 -12.296 1.00 0.00 H new ATOM 0 HA VAL A 77 13.111 -4.069 -13.815 1.00 0.00 H new ATOM 0 HB VAL A 77 13.731 -3.296 -10.937 1.00 0.00 H new ATOM 0 HG11 VAL A 77 14.879 -5.466 -10.776 1.00 0.00 H new ATOM 0 HG12 VAL A 77 13.133 -5.661 -11.062 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.285 -5.896 -12.398 1.00 0.00 H new ATOM 0 HG21 VAL A 77 16.076 -3.495 -11.660 1.00 0.00 H new ATOM 0 HG22 VAL A 77 15.531 -3.842 -13.318 1.00 0.00 H new ATOM 0 HG23 VAL A 77 15.202 -2.253 -12.588 1.00 0.00 H new ATOM 1092 N ASN A 78 11.020 -5.202 -13.120 1.00 0.00 N ATOM 1093 CA ASN A 78 9.799 -5.902 -12.738 1.00 0.00 C ATOM 1094 C ASN A 78 9.994 -6.660 -11.428 1.00 0.00 C ATOM 1095 O ASN A 78 10.467 -7.796 -11.421 1.00 0.00 O ATOM 1096 CB ASN A 78 9.375 -6.871 -13.843 1.00 0.00 C ATOM 1097 CG ASN A 78 8.252 -7.792 -13.405 1.00 0.00 C ATOM 1098 OD1 ASN A 78 7.143 -7.342 -13.116 1.00 0.00 O ATOM 1099 ND2 ASN A 78 8.536 -9.088 -13.353 1.00 0.00 N ATOM 0 H ASN A 78 11.411 -5.495 -14.015 1.00 0.00 H new ATOM 0 HA ASN A 78 9.014 -5.160 -12.594 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.056 -6.304 -14.717 1.00 0.00 H new ATOM 0 HB3 ASN A 78 10.234 -7.469 -14.147 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.821 -9.756 -13.064 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.469 -9.416 -13.602 1.00 0.00 H new ATOM 1106 N ILE A 79 9.624 -6.022 -10.322 1.00 0.00 N ATOM 1107 CA ILE A 79 9.756 -6.637 -9.006 1.00 0.00 C ATOM 1108 C ILE A 79 8.504 -7.425 -8.639 1.00 0.00 C ATOM 1109 O ILE A 79 8.309 -7.795 -7.482 1.00 0.00 O ATOM 1110 CB ILE A 79 10.024 -5.582 -7.917 1.00 0.00 C ATOM 1111 CG1 ILE A 79 8.802 -4.677 -7.742 1.00 0.00 C ATOM 1112 CG2 ILE A 79 11.254 -4.759 -8.267 1.00 0.00 C ATOM 1113 CD1 ILE A 79 8.668 -4.106 -6.347 1.00 0.00 C ATOM 0 H ILE A 79 9.231 -5.081 -10.311 1.00 0.00 H new ATOM 0 HA ILE A 79 10.606 -7.317 -9.059 1.00 0.00 H new ATOM 0 HB ILE A 79 10.212 -6.095 -6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 79 8.862 -3.857 -8.457 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.903 -5.244 -7.982 1.00 0.00 H new ATOM 0 HG21 ILE A 79 11.430 -4.018 -7.487 1.00 0.00 H new ATOM 0 HG22 ILE A 79 12.121 -5.415 -8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 79 11.094 -4.253 -9.219 1.00 0.00 H new ATOM 0 HD11 ILE A 79 7.781 -3.475 -6.296 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.576 -4.920 -5.628 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.550 -3.511 -6.111 1.00 0.00 H new ATOM 1125 N GLN A 80 7.658 -7.678 -9.633 1.00 0.00 N ATOM 1126 CA GLN A 80 6.424 -8.423 -9.415 1.00 0.00 C ATOM 1127 C GLN A 80 6.714 -9.788 -8.798 1.00 0.00 C ATOM 1128 O GLN A 80 6.958 -10.762 -9.509 1.00 0.00 O ATOM 1129 CB GLN A 80 5.668 -8.597 -10.733 1.00 0.00 C ATOM 1130 CG GLN A 80 4.896 -7.358 -11.159 1.00 0.00 C ATOM 1131 CD GLN A 80 3.685 -7.689 -12.009 1.00 0.00 C ATOM 1132 OE1 GLN A 80 3.212 -8.826 -12.020 1.00 0.00 O ATOM 1133 NE2 GLN A 80 3.176 -6.694 -12.726 1.00 0.00 N ATOM 0 H GLN A 80 7.805 -7.378 -10.597 1.00 0.00 H new ATOM 0 HA GLN A 80 5.804 -7.855 -8.721 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.378 -8.861 -11.517 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.974 -9.432 -10.637 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.574 -6.812 -10.272 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.558 -6.696 -11.718 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.601 -5.767 -12.686 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.360 -6.856 -13.317 1.00 0.00 H new ATOM 1142 N GLY A 81 6.687 -9.850 -7.470 1.00 0.00 N ATOM 1143 CA GLY A 81 6.949 -11.099 -6.780 1.00 0.00 C ATOM 1144 C GLY A 81 8.193 -11.035 -5.916 1.00 0.00 C ATOM 1145 O GLY A 81 8.343 -11.810 -4.972 1.00 0.00 O ATOM 0 H GLY A 81 6.488 -9.057 -6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.091 -11.353 -6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.060 -11.899 -7.512 1.00 0.00 H new ATOM 1149 N PHE A 82 9.089 -10.108 -6.240 1.00 0.00 N ATOM 1150 CA PHE A 82 10.328 -9.947 -5.488 1.00 0.00 C ATOM 1151 C PHE A 82 10.055 -9.927 -3.987 1.00 0.00 C ATOM 1152 O PHE A 82 9.187 -9.195 -3.513 1.00 0.00 O ATOM 1153 CB PHE A 82 11.038 -8.657 -5.906 1.00 0.00 C ATOM 1154 CG PHE A 82 11.887 -8.811 -7.135 1.00 0.00 C ATOM 1155 CD1 PHE A 82 11.378 -9.417 -8.273 1.00 0.00 C ATOM 1156 CD2 PHE A 82 13.194 -8.352 -7.153 1.00 0.00 C ATOM 1157 CE1 PHE A 82 12.156 -9.560 -9.407 1.00 0.00 C ATOM 1158 CE2 PHE A 82 13.977 -8.491 -8.284 1.00 0.00 C ATOM 1159 CZ PHE A 82 13.458 -9.097 -9.411 1.00 0.00 C ATOM 0 H PHE A 82 8.980 -9.457 -7.018 1.00 0.00 H new ATOM 0 HA PHE A 82 10.972 -10.798 -5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.292 -7.883 -6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.664 -8.313 -5.083 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.361 -9.782 -8.274 1.00 0.00 H new ATOM 0 HD2 PHE A 82 13.606 -7.880 -6.273 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.747 -10.033 -10.288 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.993 -8.126 -8.286 1.00 0.00 H new ATOM 0 HZ PHE A 82 14.069 -9.209 -10.295 1.00 0.00 H new ATOM 1169 N ALA A 83 10.802 -10.738 -3.245 1.00 0.00 N ATOM 1170 CA ALA A 83 10.643 -10.813 -1.799 1.00 0.00 C ATOM 1171 C ALA A 83 10.973 -9.478 -1.139 1.00 0.00 C ATOM 1172 O ALA A 83 11.760 -8.693 -1.667 1.00 0.00 O ATOM 1173 CB ALA A 83 11.520 -11.917 -1.228 1.00 0.00 C ATOM 0 H ALA A 83 11.523 -11.352 -3.622 1.00 0.00 H new ATOM 0 HA ALA A 83 9.600 -11.045 -1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.391 -11.961 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.234 -12.873 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.564 -11.709 -1.461 1.00 0.00 H new ATOM 1179 N ASN A 84 10.366 -9.228 0.016 1.00 0.00 N ATOM 1180 CA ASN A 84 10.595 -7.987 0.747 1.00 0.00 C ATOM 1181 C ASN A 84 12.037 -7.515 0.579 1.00 0.00 C ATOM 1182 O ASN A 84 12.295 -6.479 -0.036 1.00 0.00 O ATOM 1183 CB ASN A 84 10.280 -8.178 2.231 1.00 0.00 C ATOM 1184 CG ASN A 84 10.751 -7.012 3.078 1.00 0.00 C ATOM 1185 OD1 ASN A 84 11.606 -7.169 3.951 1.00 0.00 O ATOM 1186 ND2 ASN A 84 10.195 -5.834 2.824 1.00 0.00 N ATOM 0 H ASN A 84 9.712 -9.868 0.466 1.00 0.00 H new ATOM 0 HA ASN A 84 9.931 -7.226 0.337 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.205 -8.304 2.358 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.753 -9.094 2.585 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.472 -5.013 3.361 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.490 -5.750 2.091 1.00 0.00 H new ATOM 1193 N HIS A 85 12.973 -8.282 1.128 1.00 0.00 N ATOM 1194 CA HIS A 85 14.389 -7.944 1.038 1.00 0.00 C ATOM 1195 C HIS A 85 14.824 -7.812 -0.418 1.00 0.00 C ATOM 1196 O HIS A 85 15.482 -6.842 -0.794 1.00 0.00 O ATOM 1197 CB HIS A 85 15.234 -9.005 1.742 1.00 0.00 C ATOM 1198 CG HIS A 85 15.208 -10.340 1.062 1.00 0.00 C ATOM 1199 ND1 HIS A 85 14.240 -11.291 1.308 1.00 0.00 N ATOM 1200 CD2 HIS A 85 16.037 -10.879 0.138 1.00 0.00 C ATOM 1201 CE1 HIS A 85 14.476 -12.358 0.566 1.00 0.00 C ATOM 1202 NE2 HIS A 85 15.560 -12.134 -0.153 1.00 0.00 N ATOM 0 H HIS A 85 12.777 -9.142 1.640 1.00 0.00 H new ATOM 0 HA HIS A 85 14.541 -6.984 1.532 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.265 -8.656 1.801 1.00 0.00 H new ATOM 0 HB3 HIS A 85 14.878 -9.121 2.766 1.00 0.00 H new ATOM 0 HD2 HIS A 85 16.910 -10.410 -0.291 1.00 0.00 H new ATOM 0 HE1 HIS A 85 13.883 -13.260 0.550 1.00 0.00 H new ATOM 0 HE2 HIS A 85 15.976 -12.787 -0.817 1.00 0.00 H new ATOM 1211 N ASP A 86 14.454 -8.794 -1.232 1.00 0.00 N ATOM 1212 CA ASP A 86 14.806 -8.789 -2.647 1.00 0.00 C ATOM 1213 C ASP A 86 14.507 -7.431 -3.276 1.00 0.00 C ATOM 1214 O ASP A 86 15.143 -7.034 -4.252 1.00 0.00 O ATOM 1215 CB ASP A 86 14.044 -9.888 -3.389 1.00 0.00 C ATOM 1216 CG ASP A 86 14.735 -11.234 -3.298 1.00 0.00 C ATOM 1217 OD1 ASP A 86 15.981 -11.257 -3.225 1.00 0.00 O ATOM 1218 OD2 ASP A 86 14.030 -12.265 -3.301 1.00 0.00 O ATOM 0 H ASP A 86 13.910 -9.604 -0.936 1.00 0.00 H new ATOM 0 HA ASP A 86 15.876 -8.981 -2.731 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.038 -9.971 -2.977 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.937 -9.608 -4.437 1.00 0.00 H new ATOM 1223 N VAL A 87 13.532 -6.725 -2.711 1.00 0.00 N ATOM 1224 CA VAL A 87 13.148 -5.412 -3.216 1.00 0.00 C ATOM 1225 C VAL A 87 14.007 -4.314 -2.601 1.00 0.00 C ATOM 1226 O VAL A 87 14.285 -3.298 -3.238 1.00 0.00 O ATOM 1227 CB VAL A 87 11.665 -5.112 -2.927 1.00 0.00 C ATOM 1228 CG1 VAL A 87 11.326 -3.680 -3.311 1.00 0.00 C ATOM 1229 CG2 VAL A 87 10.769 -6.097 -3.664 1.00 0.00 C ATOM 0 H VAL A 87 12.994 -7.040 -1.904 1.00 0.00 H new ATOM 0 HA VAL A 87 13.304 -5.429 -4.295 1.00 0.00 H new ATOM 0 HB VAL A 87 11.490 -5.227 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.274 -3.486 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 87 11.945 -2.992 -2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.516 -3.534 -4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.725 -5.871 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 87 10.944 -6.016 -4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 87 10.996 -7.111 -3.335 1.00 0.00 H new ATOM 1239 N VAL A 88 14.426 -4.524 -1.357 1.00 0.00 N ATOM 1240 CA VAL A 88 15.256 -3.553 -0.655 1.00 0.00 C ATOM 1241 C VAL A 88 16.570 -3.319 -1.390 1.00 0.00 C ATOM 1242 O VAL A 88 16.955 -2.179 -1.646 1.00 0.00 O ATOM 1243 CB VAL A 88 15.559 -4.010 0.785 1.00 0.00 C ATOM 1244 CG1 VAL A 88 16.634 -3.132 1.408 1.00 0.00 C ATOM 1245 CG2 VAL A 88 14.292 -3.994 1.626 1.00 0.00 C ATOM 0 H VAL A 88 14.204 -5.359 -0.815 1.00 0.00 H new ATOM 0 HA VAL A 88 14.692 -2.621 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 88 15.933 -5.033 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.835 -3.469 2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.547 -3.199 0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 88 16.291 -2.098 1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.524 -4.320 2.640 1.00 0.00 H new ATOM 0 HG22 VAL A 88 13.886 -2.983 1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.556 -4.668 1.188 1.00 0.00 H new ATOM 1255 N GLU A 89 17.255 -4.407 -1.728 1.00 0.00 N ATOM 1256 CA GLU A 89 18.528 -4.320 -2.434 1.00 0.00 C ATOM 1257 C GLU A 89 18.375 -3.538 -3.735 1.00 0.00 C ATOM 1258 O GLU A 89 19.257 -2.768 -4.117 1.00 0.00 O ATOM 1259 CB GLU A 89 19.070 -5.721 -2.728 1.00 0.00 C ATOM 1260 CG GLU A 89 18.285 -6.466 -3.794 1.00 0.00 C ATOM 1261 CD GLU A 89 18.891 -7.815 -4.129 1.00 0.00 C ATOM 1262 OE1 GLU A 89 18.515 -8.812 -3.478 1.00 0.00 O ATOM 1263 OE2 GLU A 89 19.742 -7.874 -5.041 1.00 0.00 O ATOM 0 H GLU A 89 16.950 -5.359 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 89 19.235 -3.792 -1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 89 20.110 -5.640 -3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 89 19.062 -6.305 -1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.260 -6.607 -3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.239 -5.858 -4.698 1.00 0.00 H new ATOM 1270 N VAL A 90 17.250 -3.743 -4.413 1.00 0.00 N ATOM 1271 CA VAL A 90 16.980 -3.057 -5.672 1.00 0.00 C ATOM 1272 C VAL A 90 16.986 -1.544 -5.486 1.00 0.00 C ATOM 1273 O VAL A 90 17.626 -0.816 -6.246 1.00 0.00 O ATOM 1274 CB VAL A 90 15.625 -3.486 -6.265 1.00 0.00 C ATOM 1275 CG1 VAL A 90 15.260 -2.607 -7.451 1.00 0.00 C ATOM 1276 CG2 VAL A 90 15.661 -4.952 -6.669 1.00 0.00 C ATOM 0 H VAL A 90 16.511 -4.378 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 90 17.775 -3.338 -6.363 1.00 0.00 H new ATOM 0 HB VAL A 90 14.858 -3.362 -5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.300 -2.925 -7.857 1.00 0.00 H new ATOM 0 HG12 VAL A 90 15.191 -1.569 -7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 90 16.027 -2.697 -8.220 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.695 -5.238 -7.086 1.00 0.00 H new ATOM 0 HG22 VAL A 90 16.439 -5.104 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.874 -5.565 -5.794 1.00 0.00 H new ATOM 1286 N LEU A 91 16.269 -1.077 -4.470 1.00 0.00 N ATOM 1287 CA LEU A 91 16.190 0.352 -4.182 1.00 0.00 C ATOM 1288 C LEU A 91 17.577 0.932 -3.924 1.00 0.00 C ATOM 1289 O LEU A 91 17.902 2.023 -4.393 1.00 0.00 O ATOM 1290 CB LEU A 91 15.287 0.599 -2.973 1.00 0.00 C ATOM 1291 CG LEU A 91 13.907 -0.057 -3.019 1.00 0.00 C ATOM 1292 CD1 LEU A 91 13.271 -0.061 -1.638 1.00 0.00 C ATOM 1293 CD2 LEU A 91 13.010 0.658 -4.019 1.00 0.00 C ATOM 0 H LEU A 91 15.734 -1.666 -3.832 1.00 0.00 H new ATOM 0 HA LEU A 91 15.764 0.851 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.805 0.247 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 91 15.152 1.675 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 91 14.028 -1.091 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.289 -0.532 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 91 13.904 -0.618 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 91 13.163 0.964 -1.284 1.00 0.00 H new ATOM 0 HD21 LEU A 91 12.032 0.178 -4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 91 12.896 1.701 -3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.459 0.608 -5.011 1.00 0.00 H new ATOM 1305 N ARG A 92 18.391 0.194 -3.176 1.00 0.00 N ATOM 1306 CA ARG A 92 19.744 0.635 -2.856 1.00 0.00 C ATOM 1307 C ARG A 92 20.590 0.753 -4.120 1.00 0.00 C ATOM 1308 O ARG A 92 21.398 1.671 -4.254 1.00 0.00 O ATOM 1309 CB ARG A 92 20.402 -0.339 -1.878 1.00 0.00 C ATOM 1310 CG ARG A 92 19.695 -0.425 -0.535 1.00 0.00 C ATOM 1311 CD ARG A 92 20.455 -1.312 0.439 1.00 0.00 C ATOM 1312 NE ARG A 92 21.640 -0.647 0.975 1.00 0.00 N ATOM 1313 CZ ARG A 92 21.613 0.175 2.018 1.00 0.00 C ATOM 1314 NH1 ARG A 92 20.467 0.432 2.634 1.00 0.00 N ATOM 1315 NH2 ARG A 92 22.733 0.742 2.447 1.00 0.00 N ATOM 0 H ARG A 92 18.138 -0.711 -2.780 1.00 0.00 H new ATOM 0 HA ARG A 92 19.679 1.618 -2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.429 -1.331 -2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 92 21.436 -0.035 -1.716 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.590 0.575 -0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.688 -0.818 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.797 -1.596 1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 92 20.752 -2.232 -0.065 1.00 0.00 H new ATOM 0 HE ARG A 92 22.537 -0.824 0.524 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.604 -0.002 2.307 1.00 0.00 H new ATOM 0 HH12 ARG A 92 20.449 1.064 3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 92 23.616 0.547 1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 92 22.711 1.373 3.248 1.00 0.00 H new ATOM 1329 N ASN A 93 20.398 -0.182 -5.044 1.00 0.00 N ATOM 1330 CA ASN A 93 21.145 -0.183 -6.297 1.00 0.00 C ATOM 1331 C ASN A 93 20.808 1.048 -7.133 1.00 0.00 C ATOM 1332 O ASN A 93 21.680 1.635 -7.772 1.00 0.00 O ATOM 1333 CB ASN A 93 20.842 -1.453 -7.095 1.00 0.00 C ATOM 1334 CG ASN A 93 21.697 -2.627 -6.659 1.00 0.00 C ATOM 1335 OD1 ASN A 93 22.869 -2.724 -7.022 1.00 0.00 O ATOM 1336 ND2 ASN A 93 21.111 -3.527 -5.877 1.00 0.00 N ATOM 0 H ASN A 93 19.732 -0.949 -4.949 1.00 0.00 H new ATOM 0 HA ASN A 93 22.208 -0.157 -6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 93 19.789 -1.710 -6.978 1.00 0.00 H new ATOM 0 HB3 ASN A 93 21.007 -1.261 -8.155 1.00 0.00 H new ATOM 0 HD21 ASN A 93 21.636 -4.339 -5.553 1.00 0.00 H new ATOM 0 HD22 ASN A 93 20.137 -3.406 -5.601 1.00 0.00 H new ATOM 1343 N ALA A 94 19.536 1.434 -7.121 1.00 0.00 N ATOM 1344 CA ALA A 94 19.084 2.597 -7.874 1.00 0.00 C ATOM 1345 C ALA A 94 19.850 3.850 -7.464 1.00 0.00 C ATOM 1346 O ALA A 94 20.220 4.010 -6.302 1.00 0.00 O ATOM 1347 CB ALA A 94 17.589 2.803 -7.680 1.00 0.00 C ATOM 0 H ALA A 94 18.801 0.958 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 94 19.281 2.413 -8.930 1.00 0.00 H new ATOM 0 HB1 ALA A 94 17.265 3.675 -8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 94 17.052 1.922 -8.030 1.00 0.00 H new ATOM 0 HB3 ALA A 94 17.378 2.960 -6.622 1.00 0.00 H new ATOM 1353 N GLY A 95 20.087 4.736 -8.427 1.00 0.00 N ATOM 1354 CA GLY A 95 20.809 5.962 -8.145 1.00 0.00 C ATOM 1355 C GLY A 95 19.886 7.151 -7.967 1.00 0.00 C ATOM 1356 O GLY A 95 18.700 6.986 -7.682 1.00 0.00 O ATOM 0 H GLY A 95 19.792 4.626 -9.397 1.00 0.00 H new ATOM 0 HA2 GLY A 95 21.404 5.830 -7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 95 21.505 6.165 -8.959 1.00 0.00 H new ATOM 1360 N GLN A 96 20.430 8.352 -8.133 1.00 0.00 N ATOM 1361 CA GLN A 96 19.647 9.573 -7.987 1.00 0.00 C ATOM 1362 C GLN A 96 18.272 9.418 -8.628 1.00 0.00 C ATOM 1363 O GLN A 96 17.247 9.648 -7.987 1.00 0.00 O ATOM 1364 CB GLN A 96 20.385 10.756 -8.614 1.00 0.00 C ATOM 1365 CG GLN A 96 20.036 12.095 -7.984 1.00 0.00 C ATOM 1366 CD GLN A 96 21.182 13.085 -8.043 1.00 0.00 C ATOM 1367 OE1 GLN A 96 21.952 13.104 -9.005 1.00 0.00 O ATOM 1368 NE2 GLN A 96 21.303 13.914 -7.013 1.00 0.00 N ATOM 0 H GLN A 96 21.410 8.506 -8.369 1.00 0.00 H new ATOM 0 HA GLN A 96 19.512 9.762 -6.922 1.00 0.00 H new ATOM 0 HB2 GLN A 96 21.459 10.591 -8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 96 20.155 10.794 -9.679 1.00 0.00 H new ATOM 0 HG2 GLN A 96 19.170 12.517 -8.494 1.00 0.00 H new ATOM 0 HG3 GLN A 96 19.749 11.939 -6.944 1.00 0.00 H new ATOM 0 HE21 GLN A 96 20.643 13.863 -6.237 1.00 0.00 H new ATOM 0 HE22 GLN A 96 22.056 14.602 -6.997 1.00 0.00 H new ATOM 1377 N VAL A 97 18.258 9.026 -9.898 1.00 0.00 N ATOM 1378 CA VAL A 97 17.008 8.839 -10.627 1.00 0.00 C ATOM 1379 C VAL A 97 16.361 7.504 -10.275 1.00 0.00 C ATOM 1380 O VAL A 97 16.834 6.445 -10.687 1.00 0.00 O ATOM 1381 CB VAL A 97 17.232 8.903 -12.149 1.00 0.00 C ATOM 1382 CG1 VAL A 97 15.930 8.643 -12.891 1.00 0.00 C ATOM 1383 CG2 VAL A 97 17.821 10.249 -12.545 1.00 0.00 C ATOM 0 H VAL A 97 19.098 8.832 -10.444 1.00 0.00 H new ATOM 0 HA VAL A 97 16.344 9.651 -10.330 1.00 0.00 H new ATOM 0 HB VAL A 97 17.943 8.125 -12.427 1.00 0.00 H new ATOM 0 HG11 VAL A 97 16.107 8.692 -13.965 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.554 7.654 -12.630 1.00 0.00 H new ATOM 0 HG13 VAL A 97 15.194 9.397 -12.610 1.00 0.00 H new ATOM 0 HG21 VAL A 97 17.973 10.276 -13.624 1.00 0.00 H new ATOM 0 HG22 VAL A 97 17.136 11.046 -12.254 1.00 0.00 H new ATOM 0 HG23 VAL A 97 18.777 10.390 -12.041 1.00 0.00 H new ATOM 1393 N VAL A 98 15.276 7.563 -9.509 1.00 0.00 N ATOM 1394 CA VAL A 98 14.562 6.358 -9.103 1.00 0.00 C ATOM 1395 C VAL A 98 13.162 6.320 -9.705 1.00 0.00 C ATOM 1396 O VAL A 98 12.248 6.988 -9.221 1.00 0.00 O ATOM 1397 CB VAL A 98 14.452 6.262 -7.569 1.00 0.00 C ATOM 1398 CG1 VAL A 98 13.576 5.085 -7.170 1.00 0.00 C ATOM 1399 CG2 VAL A 98 15.834 6.145 -6.943 1.00 0.00 C ATOM 0 H VAL A 98 14.873 8.431 -9.157 1.00 0.00 H new ATOM 0 HA VAL A 98 15.137 5.509 -9.473 1.00 0.00 H new ATOM 0 HB VAL A 98 13.985 7.174 -7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.510 5.033 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.578 5.216 -7.589 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.011 4.162 -7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 98 15.738 6.078 -5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 98 16.329 5.250 -7.319 1.00 0.00 H new ATOM 0 HG23 VAL A 98 16.426 7.023 -7.201 1.00 0.00 H new ATOM 1409 N HIS A 99 13.000 5.532 -10.763 1.00 0.00 N ATOM 1410 CA HIS A 99 11.710 5.405 -11.432 1.00 0.00 C ATOM 1411 C HIS A 99 10.853 4.336 -10.760 1.00 0.00 C ATOM 1412 O HIS A 99 10.967 3.149 -11.069 1.00 0.00 O ATOM 1413 CB HIS A 99 11.909 5.062 -12.909 1.00 0.00 C ATOM 1414 CG HIS A 99 12.116 6.262 -13.780 1.00 0.00 C ATOM 1415 ND1 HIS A 99 13.223 6.425 -14.586 1.00 0.00 N ATOM 1416 CD2 HIS A 99 11.350 7.362 -13.969 1.00 0.00 C ATOM 1417 CE1 HIS A 99 13.129 7.573 -15.233 1.00 0.00 C ATOM 1418 NE2 HIS A 99 12.001 8.161 -14.876 1.00 0.00 N ATOM 0 H HIS A 99 13.746 4.972 -11.176 1.00 0.00 H new ATOM 0 HA HIS A 99 11.193 6.361 -11.356 1.00 0.00 H new ATOM 0 HB2 HIS A 99 12.769 4.400 -13.007 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.039 4.510 -13.266 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.403 7.572 -13.494 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.851 7.964 -15.934 1.00 0.00 H new ATOM 0 HE2 HIS A 99 11.668 9.062 -15.219 1.00 0.00 H new ATOM 1427 N LEU A 100 9.996 4.765 -9.840 1.00 0.00 N ATOM 1428 CA LEU A 100 9.120 3.845 -9.123 1.00 0.00 C ATOM 1429 C LEU A 100 7.841 3.585 -9.912 1.00 0.00 C ATOM 1430 O LEU A 100 7.071 4.506 -10.188 1.00 0.00 O ATOM 1431 CB LEU A 100 8.776 4.407 -7.743 1.00 0.00 C ATOM 1432 CG LEU A 100 8.593 3.379 -6.626 1.00 0.00 C ATOM 1433 CD1 LEU A 100 7.395 2.487 -6.913 1.00 0.00 C ATOM 1434 CD2 LEU A 100 9.854 2.545 -6.456 1.00 0.00 C ATOM 0 H LEU A 100 9.889 5.744 -9.573 1.00 0.00 H new ATOM 0 HA LEU A 100 9.649 2.900 -9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.565 5.098 -7.447 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.858 4.989 -7.828 1.00 0.00 H new ATOM 0 HG LEU A 100 8.407 3.913 -5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.280 1.762 -6.108 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.495 3.098 -6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.550 1.961 -7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.705 1.819 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 100 10.072 2.021 -7.387 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.690 3.197 -6.203 1.00 0.00 H new ATOM 1446 N THR A 101 7.618 2.325 -10.271 1.00 0.00 N ATOM 1447 CA THR A 101 6.432 1.943 -11.027 1.00 0.00 C ATOM 1448 C THR A 101 5.320 1.465 -10.101 1.00 0.00 C ATOM 1449 O THR A 101 5.450 0.437 -9.436 1.00 0.00 O ATOM 1450 CB THR A 101 6.748 0.833 -12.047 1.00 0.00 C ATOM 1451 OG1 THR A 101 7.914 1.180 -12.803 1.00 0.00 O ATOM 1452 CG2 THR A 101 5.574 0.611 -12.988 1.00 0.00 C ATOM 0 H THR A 101 8.244 1.551 -10.050 1.00 0.00 H new ATOM 0 HA THR A 101 6.099 2.833 -11.562 1.00 0.00 H new ATOM 0 HB THR A 101 6.932 -0.091 -11.499 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.717 0.932 -12.298 1.00 0.00 H new ATOM 0 HG21 THR A 101 5.821 -0.177 -13.699 1.00 0.00 H new ATOM 0 HG22 THR A 101 4.696 0.318 -12.412 1.00 0.00 H new ATOM 0 HG23 THR A 101 5.362 1.533 -13.529 1.00 0.00 H new ATOM 1460 N LEU A 102 4.225 2.217 -10.062 1.00 0.00 N ATOM 1461 CA LEU A 102 3.088 1.869 -9.217 1.00 0.00 C ATOM 1462 C LEU A 102 1.836 1.636 -10.057 1.00 0.00 C ATOM 1463 O LEU A 102 1.806 1.954 -11.246 1.00 0.00 O ATOM 1464 CB LEU A 102 2.830 2.977 -8.194 1.00 0.00 C ATOM 1465 CG LEU A 102 4.018 3.366 -7.312 1.00 0.00 C ATOM 1466 CD1 LEU A 102 4.915 4.359 -8.034 1.00 0.00 C ATOM 1467 CD2 LEU A 102 3.534 3.944 -5.990 1.00 0.00 C ATOM 0 H LEU A 102 4.101 3.071 -10.605 1.00 0.00 H new ATOM 0 HA LEU A 102 3.327 0.945 -8.691 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.493 3.866 -8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.010 2.664 -7.547 1.00 0.00 H new ATOM 0 HG LEU A 102 4.600 2.469 -7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.755 4.625 -7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.289 3.909 -8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.345 5.256 -8.275 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.392 4.215 -5.375 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.929 4.831 -6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.933 3.201 -5.466 1.00 0.00 H new ATOM 1479 N VAL A 103 0.804 1.081 -9.430 1.00 0.00 N ATOM 1480 CA VAL A 103 -0.452 0.808 -10.118 1.00 0.00 C ATOM 1481 C VAL A 103 -1.630 0.852 -9.151 1.00 0.00 C ATOM 1482 O VAL A 103 -1.765 -0.009 -8.282 1.00 0.00 O ATOM 1483 CB VAL A 103 -0.424 -0.566 -10.814 1.00 0.00 C ATOM 1484 CG1 VAL A 103 0.106 -1.633 -9.868 1.00 0.00 C ATOM 1485 CG2 VAL A 103 -1.810 -0.934 -11.322 1.00 0.00 C ATOM 0 H VAL A 103 0.813 0.812 -8.446 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.575 1.586 -10.871 1.00 0.00 H new ATOM 0 HB VAL A 103 0.248 -0.507 -11.670 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.119 -2.597 -10.377 1.00 0.00 H new ATOM 0 HG12 VAL A 103 1.118 -1.374 -9.557 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.538 -1.694 -8.991 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.772 -1.907 -11.811 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.505 -0.976 -10.484 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -2.147 -0.183 -12.036 1.00 0.00 H new ATOM 1495 N ARG A 104 -2.480 1.861 -9.309 1.00 0.00 N ATOM 1496 CA ARG A 104 -3.647 2.018 -8.449 1.00 0.00 C ATOM 1497 C ARG A 104 -4.934 1.762 -9.227 1.00 0.00 C ATOM 1498 O ARG A 104 -5.017 2.051 -10.421 1.00 0.00 O ATOM 1499 CB ARG A 104 -3.675 3.422 -7.843 1.00 0.00 C ATOM 1500 CG ARG A 104 -2.572 3.670 -6.828 1.00 0.00 C ATOM 1501 CD ARG A 104 -2.428 5.150 -6.511 1.00 0.00 C ATOM 1502 NE ARG A 104 -3.526 5.642 -5.683 1.00 0.00 N ATOM 1503 CZ ARG A 104 -3.465 6.761 -4.971 1.00 0.00 C ATOM 1504 NH1 ARG A 104 -2.366 7.502 -4.986 1.00 0.00 N ATOM 1505 NH2 ARG A 104 -4.507 7.143 -4.242 1.00 0.00 N ATOM 0 H ARG A 104 -2.383 2.582 -10.024 1.00 0.00 H new ATOM 0 HA ARG A 104 -3.577 1.285 -7.646 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -3.591 4.156 -8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -4.641 3.582 -7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -2.789 3.120 -5.912 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -1.628 3.286 -7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -1.482 5.320 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -2.392 5.718 -7.441 1.00 0.00 H new ATOM 0 HE ARG A 104 -4.387 5.096 -5.650 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -1.564 7.213 -5.546 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.323 8.361 -4.438 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -5.355 6.577 -4.229 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -4.459 8.003 -3.695 1.00 0.00 H new ATOM 1519 N ARG A 105 -5.935 1.218 -8.543 1.00 0.00 N ATOM 1520 CA ARG A 105 -7.218 0.922 -9.170 1.00 0.00 C ATOM 1521 C ARG A 105 -7.923 2.206 -9.599 1.00 0.00 C ATOM 1522 O ARG A 105 -8.151 3.102 -8.787 1.00 0.00 O ATOM 1523 CB ARG A 105 -8.110 0.134 -8.209 1.00 0.00 C ATOM 1524 CG ARG A 105 -9.016 -0.870 -8.903 1.00 0.00 C ATOM 1525 CD ARG A 105 -10.354 -0.996 -8.193 1.00 0.00 C ATOM 1526 NE ARG A 105 -10.325 -2.016 -7.148 1.00 0.00 N ATOM 1527 CZ ARG A 105 -10.486 -3.314 -7.382 1.00 0.00 C ATOM 1528 NH1 ARG A 105 -10.685 -3.747 -8.619 1.00 0.00 N ATOM 1529 NH2 ARG A 105 -10.446 -4.180 -6.378 1.00 0.00 N ATOM 0 H ARG A 105 -5.883 0.973 -7.554 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.029 0.318 -10.057 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.480 -0.393 -7.492 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -8.724 0.833 -7.641 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -9.179 -0.562 -9.936 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -8.526 -1.843 -8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.624 -0.035 -7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -11.128 -1.243 -8.920 1.00 0.00 H new ATOM 0 HE ARG A 105 -10.173 -1.715 -6.185 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -10.715 -3.083 -9.393 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -10.808 -4.744 -8.797 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -10.292 -3.850 -5.425 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -10.570 -5.176 -6.559 1.00 0.00 H new ATOM 1543 N LYS A 106 -8.264 2.287 -10.880 1.00 0.00 N ATOM 1544 CA LYS A 106 -8.944 3.459 -11.418 1.00 0.00 C ATOM 1545 C LYS A 106 -10.324 3.625 -10.790 1.00 0.00 C ATOM 1546 O LYS A 106 -10.702 4.722 -10.377 1.00 0.00 O ATOM 1547 CB LYS A 106 -9.074 3.346 -12.939 1.00 0.00 C ATOM 1548 CG LYS A 106 -7.745 3.172 -13.652 1.00 0.00 C ATOM 1549 CD LYS A 106 -7.909 2.418 -14.962 1.00 0.00 C ATOM 1550 CE LYS A 106 -6.890 2.870 -15.996 1.00 0.00 C ATOM 1551 NZ LYS A 106 -7.325 4.110 -16.698 1.00 0.00 N ATOM 0 H LYS A 106 -8.081 1.554 -11.566 1.00 0.00 H new ATOM 0 HA LYS A 106 -8.346 4.337 -11.175 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.718 2.500 -13.178 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.567 4.240 -13.320 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.305 4.150 -13.847 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -7.052 2.634 -13.006 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -7.798 1.348 -14.784 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -8.916 2.574 -15.349 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.931 3.046 -15.508 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.735 2.075 -16.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.604 4.386 -17.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -8.227 3.935 -17.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.448 4.876 -16.005 1.00 0.00 H new