USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 822 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.491 K(o=-0.49,f=-2.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 165:sc= -2.46 USER MOD Single : A 32 SER OG : rot 180:sc= -0.949 USER MOD Single : A 33 THR OG1 : rot -3:sc= 0.464 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.349) USER MOD Single : A 39 TYR OH : rot -15:sc= 0.0917 USER MOD Single : A 40 LYS NZ :NH3+ -162:sc= -0.483 (180deg=-1.17) USER MOD Single : A 42 TYR OH : rot -114:sc= 0.452 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -170:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 62 TYR OH : rot 130:sc= -1.9 USER MOD Single : A 79 TYR OH : rot -3:sc= 0.0306 USER MOD Single : A 84 MET CE :methyl 140:sc= -4.37! (180deg=-12.3!) USER MOD Single : A 97 ASN : amide:sc= -5.36! C(o=-5.4!,f=-8.7!) USER MOD Single : A 100 TYR OH : rot 30:sc= -0.737 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 106 SER OG : rot 90:sc= 1.15 USER MOD Single : A 111 THR OG1 : rot -66:sc= 1.3 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 GLN : amide:sc= -6.72! C(o=-6.7!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 90 N LEU A 13 -1.094 -5.264 -12.200 1.00 0.00 N ATOM 91 CA LEU A 13 -2.034 -5.930 -11.306 1.00 0.00 C ATOM 92 C LEU A 13 -3.292 -5.091 -11.120 1.00 0.00 C ATOM 93 O LEU A 13 -3.228 -3.863 -11.069 1.00 0.00 O ATOM 94 CB LEU A 13 -1.379 -6.197 -9.950 1.00 0.00 C ATOM 95 CG LEU A 13 -2.242 -6.972 -8.954 1.00 0.00 C ATOM 96 CD1 LEU A 13 -2.258 -8.452 -9.302 1.00 0.00 C ATOM 97 CD2 LEU A 13 -1.736 -6.761 -7.535 1.00 0.00 C ATOM 0 HA LEU A 13 -2.316 -6.881 -11.758 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.454 -6.751 -10.113 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.104 -5.242 -9.502 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.263 -6.595 -9.014 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.877 -8.988 -8.583 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.667 -8.586 -10.304 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.242 -8.844 -9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.362 -7.320 -6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.707 -7.112 -7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.777 -5.700 -7.288 1.00 0.00 H new ATOM 109 N ARG A 14 -4.435 -5.759 -11.020 1.00 0.00 N ATOM 110 CA ARG A 14 -5.707 -5.068 -10.840 1.00 0.00 C ATOM 111 C ARG A 14 -5.792 -4.440 -9.453 1.00 0.00 C ATOM 112 O ARG A 14 -6.051 -5.125 -8.464 1.00 0.00 O ATOM 113 CB ARG A 14 -6.874 -6.032 -11.046 1.00 0.00 C ATOM 114 CG ARG A 14 -6.847 -6.744 -12.389 1.00 0.00 C ATOM 115 CD ARG A 14 -7.160 -5.790 -13.531 1.00 0.00 C ATOM 116 NE ARG A 14 -6.240 -5.959 -14.654 1.00 0.00 N ATOM 117 CZ ARG A 14 -6.051 -5.045 -15.603 1.00 0.00 C ATOM 118 NH1 ARG A 14 -6.718 -3.898 -15.570 1.00 0.00 N ATOM 119 NH2 ARG A 14 -5.194 -5.279 -16.587 1.00 0.00 N ATOM 0 H ARG A 14 -4.508 -6.776 -11.060 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.767 -4.275 -11.585 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.864 -6.776 -10.250 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.810 -5.481 -10.956 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.865 -7.191 -12.545 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.571 -7.559 -12.385 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.182 -5.956 -13.872 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.107 -4.763 -13.170 1.00 0.00 H new ATOM 0 HE ARG A 14 -5.711 -6.829 -14.714 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.379 -3.714 -14.815 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -6.570 -3.201 -16.299 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.680 -6.159 -16.617 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.049 -4.579 -17.314 1.00 0.00 H new ATOM 133 N ILE A 15 -5.573 -3.135 -9.390 1.00 0.00 N ATOM 134 CA ILE A 15 -5.623 -2.410 -8.129 1.00 0.00 C ATOM 135 C ILE A 15 -6.350 -1.079 -8.288 1.00 0.00 C ATOM 136 O ILE A 15 -5.861 -0.169 -8.959 1.00 0.00 O ATOM 137 CB ILE A 15 -4.207 -2.149 -7.584 1.00 0.00 C ATOM 138 CG1 ILE A 15 -3.419 -3.459 -7.512 1.00 0.00 C ATOM 139 CG2 ILE A 15 -4.273 -1.488 -6.215 1.00 0.00 C ATOM 140 CD1 ILE A 15 -1.982 -3.277 -7.076 1.00 0.00 C ATOM 0 H ILE A 15 -5.358 -2.555 -10.201 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.170 -3.034 -7.422 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.692 -1.470 -8.264 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.918 -4.136 -6.818 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.435 -3.938 -8.491 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.262 -1.312 -5.847 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.801 -0.538 -6.295 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.803 -2.140 -5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.485 -4.247 -7.048 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.467 -2.626 -7.782 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.957 -2.827 -6.083 1.00 0.00 H new ATOM 152 N LYS A 16 -7.517 -0.972 -7.663 1.00 0.00 N ATOM 153 CA LYS A 16 -8.310 0.250 -7.730 1.00 0.00 C ATOM 154 C LYS A 16 -8.782 0.660 -6.341 1.00 0.00 C ATOM 155 O LYS A 16 -9.254 -0.172 -5.564 1.00 0.00 O ATOM 156 CB LYS A 16 -9.512 0.057 -8.658 1.00 0.00 C ATOM 157 CG LYS A 16 -10.426 -1.085 -8.246 1.00 0.00 C ATOM 158 CD LYS A 16 -9.962 -2.409 -8.830 1.00 0.00 C ATOM 159 CE LYS A 16 -11.082 -3.436 -8.847 1.00 0.00 C ATOM 160 NZ LYS A 16 -11.075 -4.245 -10.097 1.00 0.00 N ATOM 0 H LYS A 16 -7.935 -1.716 -7.104 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.680 1.044 -8.132 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.090 0.981 -8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.152 -0.125 -9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.454 -1.156 -7.159 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.443 -0.876 -8.578 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.596 -2.252 -9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.125 -2.792 -8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.981 -4.097 -7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.042 -2.928 -8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.854 -4.934 -10.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.197 -3.617 -10.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.169 -4.750 -10.179 1.00 0.00 H new ATOM 174 N VAL A 17 -8.648 1.944 -6.028 1.00 0.00 N ATOM 175 CA VAL A 17 -9.057 2.458 -4.727 1.00 0.00 C ATOM 176 C VAL A 17 -10.176 3.483 -4.869 1.00 0.00 C ATOM 177 O VAL A 17 -9.987 4.548 -5.457 1.00 0.00 O ATOM 178 CB VAL A 17 -7.879 3.103 -3.964 1.00 0.00 C ATOM 179 CG1 VAL A 17 -8.012 2.846 -2.472 1.00 0.00 C ATOM 180 CG2 VAL A 17 -6.541 2.585 -4.479 1.00 0.00 C ATOM 0 H VAL A 17 -8.260 2.647 -6.657 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.416 1.602 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.911 4.179 -4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.175 3.306 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.947 3.275 -2.111 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.010 1.772 -2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.730 3.056 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.493 1.504 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.442 2.823 -5.538 1.00 0.00 H new ATOM 190 N ASP A 18 -11.344 3.155 -4.323 1.00 0.00 N ATOM 191 CA ASP A 18 -12.495 4.048 -4.388 1.00 0.00 C ATOM 192 C ASP A 18 -13.301 3.995 -3.093 1.00 0.00 C ATOM 193 O ASP A 18 -14.491 4.308 -3.079 1.00 0.00 O ATOM 194 CB ASP A 18 -13.389 3.677 -5.572 1.00 0.00 C ATOM 195 CG ASP A 18 -13.858 2.236 -5.514 1.00 0.00 C ATOM 196 OD1 ASP A 18 -14.429 1.839 -4.477 1.00 0.00 O ATOM 197 OD2 ASP A 18 -13.655 1.505 -6.506 1.00 0.00 O ATOM 0 H ASP A 18 -11.517 2.278 -3.831 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.126 5.064 -4.524 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.256 4.338 -5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.843 3.841 -6.501 1.00 0.00 H new ATOM 202 N ASP A 19 -12.647 3.596 -2.005 1.00 0.00 N ATOM 203 CA ASP A 19 -13.308 3.505 -0.708 1.00 0.00 C ATOM 204 C ASP A 19 -12.482 4.195 0.372 1.00 0.00 C ATOM 205 O ASP A 19 -11.298 3.903 0.542 1.00 0.00 O ATOM 206 CB ASP A 19 -13.543 2.040 -0.335 1.00 0.00 C ATOM 207 CG ASP A 19 -14.984 1.765 0.047 1.00 0.00 C ATOM 208 OD1 ASP A 19 -15.890 2.252 -0.661 1.00 0.00 O ATOM 209 OD2 ASP A 19 -15.207 1.060 1.054 1.00 0.00 O ATOM 0 H ASP A 19 -11.662 3.331 -1.997 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.271 4.011 -0.780 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.265 1.405 -1.176 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -12.892 1.771 0.497 1.00 0.00 H new ATOM 214 N VAL A 20 -13.112 5.111 1.100 1.00 0.00 N ATOM 215 CA VAL A 20 -12.430 5.839 2.163 1.00 0.00 C ATOM 216 C VAL A 20 -13.376 6.137 3.321 1.00 0.00 C ATOM 217 O VAL A 20 -14.405 6.790 3.144 1.00 0.00 O ATOM 218 CB VAL A 20 -11.839 7.165 1.647 1.00 0.00 C ATOM 219 CG1 VAL A 20 -10.957 7.804 2.708 1.00 0.00 C ATOM 220 CG2 VAL A 20 -11.059 6.938 0.360 1.00 0.00 C ATOM 0 H VAL A 20 -14.091 5.366 0.974 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.620 5.199 2.513 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.660 7.848 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.548 8.739 2.326 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.549 8.004 3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.141 7.127 2.959 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.649 7.886 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.245 6.238 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.723 6.528 -0.401 1.00 0.00 H new ATOM 230 N LYS A 21 -13.019 5.655 4.507 1.00 0.00 N ATOM 231 CA LYS A 21 -13.834 5.871 5.697 1.00 0.00 C ATOM 232 C LYS A 21 -13.213 6.941 6.590 1.00 0.00 C ATOM 233 O LYS A 21 -12.256 6.679 7.317 1.00 0.00 O ATOM 234 CB LYS A 21 -13.989 4.565 6.478 1.00 0.00 C ATOM 235 CG LYS A 21 -14.490 3.406 5.632 1.00 0.00 C ATOM 236 CD LYS A 21 -15.401 2.486 6.429 1.00 0.00 C ATOM 237 CE LYS A 21 -16.734 3.149 6.732 1.00 0.00 C ATOM 238 NZ LYS A 21 -17.725 2.931 5.643 1.00 0.00 N ATOM 0 H LYS A 21 -12.171 5.112 4.670 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.819 6.213 5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.027 4.296 6.915 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.681 4.726 7.305 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.029 3.792 4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.641 2.838 5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.570 1.566 5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.912 2.207 7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.131 2.755 7.668 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.583 4.219 6.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.620 3.399 5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.358 3.330 4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.890 1.911 5.523 1.00 0.00 H new ATOM 252 N ILE A 22 -13.765 8.150 6.527 1.00 0.00 N ATOM 253 CA ILE A 22 -13.265 9.259 7.328 1.00 0.00 C ATOM 254 C ILE A 22 -13.651 9.097 8.794 1.00 0.00 C ATOM 255 O ILE A 22 -14.762 9.445 9.194 1.00 0.00 O ATOM 256 CB ILE A 22 -13.804 10.608 6.817 1.00 0.00 C ATOM 257 CG1 ILE A 22 -13.624 10.721 5.301 1.00 0.00 C ATOM 258 CG2 ILE A 22 -13.107 11.757 7.526 1.00 0.00 C ATOM 259 CD1 ILE A 22 -12.178 10.804 4.866 1.00 0.00 C ATOM 0 H ILE A 22 -14.558 8.384 5.930 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.179 9.249 7.236 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.870 10.661 7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.089 9.859 4.823 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.153 11.606 4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.498 12.704 7.155 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.287 11.685 8.599 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -12.035 11.707 7.334 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.129 10.882 3.780 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.713 11.682 5.314 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.649 9.908 5.190 1.00 0.00 H new ATOM 271 N ASN A 23 -12.726 8.573 9.592 1.00 0.00 N ATOM 272 CA ASN A 23 -12.974 8.375 11.015 1.00 0.00 C ATOM 273 C ASN A 23 -12.482 9.575 11.820 1.00 0.00 C ATOM 274 O ASN A 23 -11.526 10.245 11.429 1.00 0.00 O ATOM 275 CB ASN A 23 -12.289 7.095 11.503 1.00 0.00 C ATOM 276 CG ASN A 23 -13.241 6.177 12.245 1.00 0.00 C ATOM 277 OD1 ASN A 23 -14.459 6.284 12.107 1.00 0.00 O ATOM 278 ND2 ASN A 23 -12.688 5.269 13.039 1.00 0.00 N ATOM 0 H ASN A 23 -11.801 8.279 9.279 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.049 8.276 11.164 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.867 6.564 10.650 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.458 7.358 12.157 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.278 4.624 13.565 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.673 5.216 13.123 1.00 0.00 H new ATOM 285 N PRO A 24 -13.135 9.869 12.957 1.00 0.00 N ATOM 286 CA PRO A 24 -12.762 11.002 13.813 1.00 0.00 C ATOM 287 C PRO A 24 -11.316 10.928 14.298 1.00 0.00 C ATOM 288 O PRO A 24 -10.758 11.925 14.756 1.00 0.00 O ATOM 289 CB PRO A 24 -13.724 10.892 15.002 1.00 0.00 C ATOM 290 CG PRO A 24 -14.869 10.083 14.499 1.00 0.00 C ATOM 291 CD PRO A 24 -14.291 9.129 13.495 1.00 0.00 C ATOM 0 HA PRO A 24 -12.831 11.946 13.273 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.245 10.410 15.854 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.053 11.876 15.336 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.355 9.546 15.313 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.626 10.720 14.041 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.988 8.190 13.959 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.010 8.881 12.714 1.00 0.00 H new ATOM 299 N LYS A 25 -10.714 9.745 14.205 1.00 0.00 N ATOM 300 CA LYS A 25 -9.337 9.558 14.648 1.00 0.00 C ATOM 301 C LYS A 25 -8.387 9.375 13.466 1.00 0.00 C ATOM 302 O LYS A 25 -7.197 9.670 13.569 1.00 0.00 O ATOM 303 CB LYS A 25 -9.243 8.352 15.584 1.00 0.00 C ATOM 304 CG LYS A 25 -10.092 8.491 16.837 1.00 0.00 C ATOM 305 CD LYS A 25 -9.966 7.270 17.735 1.00 0.00 C ATOM 306 CE LYS A 25 -9.073 7.550 18.934 1.00 0.00 C ATOM 307 NZ LYS A 25 -9.090 6.430 19.914 1.00 0.00 N ATOM 0 H LYS A 25 -11.156 8.906 13.829 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.036 10.458 15.185 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.551 7.457 15.043 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.202 8.207 15.874 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.787 9.381 17.387 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.136 8.631 16.557 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.955 6.967 18.079 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.558 6.437 17.163 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.051 7.719 18.594 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.401 8.466 19.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.469 6.661 20.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.060 6.285 20.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.753 5.561 19.454 1.00 0.00 H new ATOM 321 N TYR A 26 -8.912 8.883 12.347 1.00 0.00 N ATOM 322 CA TYR A 26 -8.089 8.664 11.160 1.00 0.00 C ATOM 323 C TYR A 26 -8.938 8.244 9.964 1.00 0.00 C ATOM 324 O TYR A 26 -10.077 7.803 10.120 1.00 0.00 O ATOM 325 CB TYR A 26 -7.030 7.600 11.443 1.00 0.00 C ATOM 326 CG TYR A 26 -7.590 6.336 12.058 1.00 0.00 C ATOM 327 CD1 TYR A 26 -8.306 5.427 11.290 1.00 0.00 C ATOM 328 CD2 TYR A 26 -7.403 6.055 13.405 1.00 0.00 C ATOM 329 CE1 TYR A 26 -8.820 4.271 11.848 1.00 0.00 C ATOM 330 CE2 TYR A 26 -7.914 4.902 13.970 1.00 0.00 C ATOM 331 CZ TYR A 26 -8.621 4.014 13.188 1.00 0.00 C ATOM 332 OH TYR A 26 -9.132 2.865 13.748 1.00 0.00 O ATOM 0 H TYR A 26 -9.894 8.630 12.237 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.600 9.607 10.915 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.523 7.347 10.512 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.278 8.017 12.112 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.464 5.626 10.240 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.849 6.748 14.021 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.374 3.573 11.238 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.760 4.698 15.019 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.902 2.835 14.700 1.00 0.00 H new ATOM 342 N VAL A 27 -8.373 8.382 8.768 1.00 0.00 N ATOM 343 CA VAL A 27 -9.073 8.017 7.541 1.00 0.00 C ATOM 344 C VAL A 27 -8.532 6.710 6.970 1.00 0.00 C ATOM 345 O VAL A 27 -7.320 6.531 6.846 1.00 0.00 O ATOM 346 CB VAL A 27 -8.950 9.117 6.471 1.00 0.00 C ATOM 347 CG1 VAL A 27 -9.934 8.873 5.338 1.00 0.00 C ATOM 348 CG2 VAL A 27 -9.165 10.492 7.086 1.00 0.00 C ATOM 0 H VAL A 27 -7.431 8.745 8.623 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.124 7.893 7.803 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.941 9.084 6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.832 9.661 4.592 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.726 7.907 4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.950 8.876 5.732 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.074 11.255 6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.160 10.541 7.529 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.416 10.667 7.858 1.00 0.00 H new ATOM 358 N LEU A 28 -9.436 5.801 6.621 1.00 0.00 N ATOM 359 CA LEU A 28 -9.047 4.511 6.061 1.00 0.00 C ATOM 360 C LEU A 28 -9.143 4.525 4.539 1.00 0.00 C ATOM 361 O LEU A 28 -9.838 5.359 3.958 1.00 0.00 O ATOM 362 CB LEU A 28 -9.929 3.398 6.631 1.00 0.00 C ATOM 363 CG LEU A 28 -9.862 3.229 8.150 1.00 0.00 C ATOM 364 CD1 LEU A 28 -10.587 1.963 8.578 1.00 0.00 C ATOM 365 CD2 LEU A 28 -8.415 3.202 8.622 1.00 0.00 C ATOM 0 H LEU A 28 -10.443 5.933 6.716 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.010 4.321 6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.963 3.595 6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.645 2.455 6.163 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.358 4.082 8.613 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.529 1.859 9.661 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.632 2.022 8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.120 1.099 8.105 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.388 3.081 9.705 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.894 2.369 8.151 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.926 4.137 8.349 1.00 0.00 H new ATOM 377 N TYR A 29 -8.438 3.598 3.900 1.00 0.00 N ATOM 378 CA TYR A 29 -8.441 3.503 2.444 1.00 0.00 C ATOM 379 C TYR A 29 -8.698 2.069 1.992 1.00 0.00 C ATOM 380 O TYR A 29 -7.906 1.169 2.272 1.00 0.00 O ATOM 381 CB TYR A 29 -7.108 3.996 1.879 1.00 0.00 C ATOM 382 CG TYR A 29 -7.003 5.502 1.795 1.00 0.00 C ATOM 383 CD1 TYR A 29 -7.485 6.191 0.689 1.00 0.00 C ATOM 384 CD2 TYR A 29 -6.420 6.235 2.821 1.00 0.00 C ATOM 385 CE1 TYR A 29 -7.389 7.566 0.607 1.00 0.00 C ATOM 386 CE2 TYR A 29 -6.321 7.612 2.748 1.00 0.00 C ATOM 387 CZ TYR A 29 -6.807 8.273 1.638 1.00 0.00 C ATOM 388 OH TYR A 29 -6.710 9.643 1.562 1.00 0.00 O ATOM 0 H TYR A 29 -7.857 2.902 4.367 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.245 4.133 2.065 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.297 3.618 2.502 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.967 3.575 0.884 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.943 5.642 -0.120 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.038 5.721 3.690 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.768 8.085 -0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.866 8.167 3.555 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.503 10.006 2.448 1.00 0.00 H new ATOM 398 N GLY A 30 -9.809 1.864 1.292 1.00 0.00 N ATOM 399 CA GLY A 30 -10.149 0.538 0.813 1.00 0.00 C ATOM 400 C GLY A 30 -9.577 0.256 -0.562 1.00 0.00 C ATOM 401 O GLY A 30 -10.148 0.663 -1.574 1.00 0.00 O ATOM 0 H GLY A 30 -10.480 2.593 1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.778 -0.206 1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.233 0.433 0.781 1.00 0.00 H new ATOM 405 N VAL A 31 -8.446 -0.441 -0.599 1.00 0.00 N ATOM 406 CA VAL A 31 -7.794 -0.773 -1.860 1.00 0.00 C ATOM 407 C VAL A 31 -8.342 -2.074 -2.437 1.00 0.00 C ATOM 408 O VAL A 31 -8.168 -3.145 -1.857 1.00 0.00 O ATOM 409 CB VAL A 31 -6.269 -0.902 -1.689 1.00 0.00 C ATOM 410 CG1 VAL A 31 -5.589 -1.048 -3.041 1.00 0.00 C ATOM 411 CG2 VAL A 31 -5.714 0.295 -0.932 1.00 0.00 C ATOM 0 H VAL A 31 -7.962 -0.787 0.230 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.006 0.045 -2.549 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.062 -1.800 -1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.512 -1.138 -2.899 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.964 -1.940 -3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.802 -0.171 -3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.635 0.187 -0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.932 1.208 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.177 0.349 0.053 1.00 0.00 H new ATOM 421 N SER A 32 -9.006 -1.968 -3.583 1.00 0.00 N ATOM 422 CA SER A 32 -9.584 -3.134 -4.243 1.00 0.00 C ATOM 423 C SER A 32 -8.514 -3.937 -4.977 1.00 0.00 C ATOM 424 O SER A 32 -7.644 -3.373 -5.639 1.00 0.00 O ATOM 425 CB SER A 32 -10.677 -2.702 -5.224 1.00 0.00 C ATOM 426 OG SER A 32 -11.880 -3.415 -4.993 1.00 0.00 O ATOM 0 H SER A 32 -9.158 -1.087 -4.074 1.00 0.00 H new ATOM 0 HA SER A 32 -10.024 -3.771 -3.475 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.859 -1.632 -5.122 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.340 -2.872 -6.247 1.00 0.00 H new ATOM 0 HG SER A 32 -12.563 -3.120 -5.631 1.00 0.00 H new ATOM 432 N THR A 33 -8.587 -5.259 -4.852 1.00 0.00 N ATOM 433 CA THR A 33 -7.626 -6.145 -5.499 1.00 0.00 C ATOM 434 C THR A 33 -8.212 -7.545 -5.678 1.00 0.00 C ATOM 435 O THR A 33 -9.230 -7.879 -5.072 1.00 0.00 O ATOM 436 CB THR A 33 -6.341 -6.210 -4.673 1.00 0.00 C ATOM 437 OG1 THR A 33 -6.633 -6.465 -3.311 1.00 0.00 O ATOM 438 CG2 THR A 33 -5.533 -4.934 -4.739 1.00 0.00 C ATOM 0 H THR A 33 -9.303 -5.740 -4.308 1.00 0.00 H new ATOM 0 HA THR A 33 -7.396 -5.745 -6.486 1.00 0.00 H new ATOM 0 HB THR A 33 -5.754 -7.020 -5.106 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.604 -6.498 -3.185 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.633 -5.041 -4.133 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.252 -4.734 -5.773 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.130 -4.105 -4.358 1.00 0.00 H new ATOM 446 N PRO A 34 -7.579 -8.387 -6.516 1.00 0.00 N ATOM 447 CA PRO A 34 -8.052 -9.753 -6.768 1.00 0.00 C ATOM 448 C PRO A 34 -8.387 -10.500 -5.481 1.00 0.00 C ATOM 449 O PRO A 34 -9.229 -11.398 -5.473 1.00 0.00 O ATOM 450 CB PRO A 34 -6.868 -10.407 -7.479 1.00 0.00 C ATOM 451 CG PRO A 34 -6.184 -9.283 -8.174 1.00 0.00 C ATOM 452 CD PRO A 34 -6.358 -8.077 -7.289 1.00 0.00 C ATOM 0 HA PRO A 34 -8.975 -9.767 -7.347 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.202 -10.900 -6.770 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.200 -11.167 -8.186 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.128 -9.505 -8.327 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.620 -9.110 -9.158 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.497 -7.931 -6.637 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.474 -7.164 -7.873 1.00 0.00 H new ATOM 460 N ASN A 35 -7.726 -10.119 -4.393 1.00 0.00 N ATOM 461 CA ASN A 35 -7.957 -10.749 -3.098 1.00 0.00 C ATOM 462 C ASN A 35 -9.206 -10.175 -2.434 1.00 0.00 C ATOM 463 O ASN A 35 -9.884 -10.872 -1.683 1.00 0.00 O ATOM 464 CB ASN A 35 -6.742 -10.553 -2.188 1.00 0.00 C ATOM 465 CG ASN A 35 -6.341 -11.828 -1.475 1.00 0.00 C ATOM 466 OD1 ASN A 35 -6.659 -12.024 -0.302 1.00 0.00 O ATOM 467 ND2 ASN A 35 -5.634 -12.706 -2.180 1.00 0.00 N ATOM 0 H ASN A 35 -7.026 -9.377 -4.382 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.110 -11.816 -3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.902 -10.192 -2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.965 -9.782 -1.450 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.334 -13.581 -1.751 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.392 -12.504 -3.150 1.00 0.00 H new ATOM 474 N LYS A 36 -9.487 -8.899 -2.733 1.00 0.00 N ATOM 475 CA LYS A 36 -10.644 -8.160 -2.205 1.00 0.00 C ATOM 476 C LYS A 36 -10.230 -6.754 -1.788 1.00 0.00 C ATOM 477 O LYS A 36 -9.066 -6.374 -1.921 1.00 0.00 O ATOM 478 CB LYS A 36 -11.303 -8.871 -1.021 1.00 0.00 C ATOM 479 CG LYS A 36 -12.298 -9.933 -1.450 1.00 0.00 C ATOM 480 CD LYS A 36 -12.464 -11.007 -0.388 1.00 0.00 C ATOM 481 CE LYS A 36 -13.590 -10.667 0.576 1.00 0.00 C ATOM 482 NZ LYS A 36 -13.171 -9.659 1.588 1.00 0.00 N ATOM 0 H LYS A 36 -8.907 -8.341 -3.360 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.378 -8.108 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.531 -9.331 -0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.811 -8.135 -0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.263 -9.468 -1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.964 -10.390 -2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.670 -11.965 -0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.532 -11.121 0.165 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.444 -10.286 0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.920 -11.574 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.813 -9.700 2.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.200 -9.863 1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.207 -8.709 1.167 1.00 0.00 H new ATOM 496 N ARG A 37 -11.188 -5.982 -1.283 1.00 0.00 N ATOM 497 CA ARG A 37 -10.916 -4.618 -0.847 1.00 0.00 C ATOM 498 C ARG A 37 -10.371 -4.603 0.578 1.00 0.00 C ATOM 499 O ARG A 37 -11.019 -5.084 1.507 1.00 0.00 O ATOM 500 CB ARG A 37 -12.186 -3.768 -0.934 1.00 0.00 C ATOM 501 CG ARG A 37 -12.057 -2.577 -1.870 1.00 0.00 C ATOM 502 CD ARG A 37 -12.901 -1.402 -1.400 1.00 0.00 C ATOM 503 NE ARG A 37 -13.616 -0.766 -2.504 1.00 0.00 N ATOM 504 CZ ARG A 37 -14.585 -1.359 -3.199 1.00 0.00 C ATOM 505 NH1 ARG A 37 -14.955 -2.600 -2.911 1.00 0.00 N ATOM 506 NH2 ARG A 37 -15.184 -0.708 -4.187 1.00 0.00 N ATOM 0 H ARG A 37 -12.157 -6.278 -1.166 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.161 -4.194 -1.509 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.011 -4.396 -1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.443 -3.410 0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.012 -2.273 -1.932 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.364 -2.868 -2.875 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.618 -1.746 -0.654 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.260 -0.668 -0.912 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.358 0.188 -2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.497 -3.106 -2.153 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.698 -3.048 -3.447 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.902 0.246 -4.414 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.926 -1.161 -4.720 1.00 0.00 H new ATOM 520 N LEU A 38 -9.173 -4.051 0.740 1.00 0.00 N ATOM 521 CA LEU A 38 -8.538 -3.976 2.051 1.00 0.00 C ATOM 522 C LEU A 38 -8.485 -2.535 2.548 1.00 0.00 C ATOM 523 O LEU A 38 -8.070 -1.631 1.823 1.00 0.00 O ATOM 524 CB LEU A 38 -7.124 -4.559 1.987 1.00 0.00 C ATOM 525 CG LEU A 38 -6.698 -5.377 3.209 1.00 0.00 C ATOM 526 CD1 LEU A 38 -6.456 -4.466 4.404 1.00 0.00 C ATOM 527 CD2 LEU A 38 -7.743 -6.434 3.540 1.00 0.00 C ATOM 0 H LEU A 38 -8.623 -3.649 -0.019 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.134 -4.560 2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.049 -5.192 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.417 -3.740 1.854 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.764 -5.886 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.154 -5.065 5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.668 -3.753 4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.373 -3.927 4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.421 -7.004 4.411 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.695 -5.949 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.862 -7.106 2.690 1.00 0.00 H new ATOM 539 N TYR A 39 -8.908 -2.329 3.791 1.00 0.00 N ATOM 540 CA TYR A 39 -8.909 -1.000 4.389 1.00 0.00 C ATOM 541 C TYR A 39 -7.626 -0.761 5.177 1.00 0.00 C ATOM 542 O TYR A 39 -7.399 -1.382 6.216 1.00 0.00 O ATOM 543 CB TYR A 39 -10.123 -0.829 5.304 1.00 0.00 C ATOM 544 CG TYR A 39 -11.444 -1.057 4.604 1.00 0.00 C ATOM 545 CD1 TYR A 39 -11.822 -0.274 3.521 1.00 0.00 C ATOM 546 CD2 TYR A 39 -12.313 -2.055 5.027 1.00 0.00 C ATOM 547 CE1 TYR A 39 -13.029 -0.479 2.879 1.00 0.00 C ATOM 548 CE2 TYR A 39 -13.522 -2.265 4.390 1.00 0.00 C ATOM 549 CZ TYR A 39 -13.874 -1.475 3.317 1.00 0.00 C ATOM 550 OH TYR A 39 -15.076 -1.682 2.681 1.00 0.00 O ATOM 0 H TYR A 39 -9.255 -3.067 4.404 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.965 -0.266 3.585 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -10.039 -1.524 6.139 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -10.112 0.177 5.724 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -11.162 0.508 3.175 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -12.040 -2.677 5.867 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -13.308 0.139 2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -14.187 -3.044 4.732 1.00 0.00 H new ATOM 0 HH TYR A 39 -15.284 -0.909 2.115 1.00 0.00 H new ATOM 560 N LYS A 40 -6.788 0.141 4.677 1.00 0.00 N ATOM 561 CA LYS A 40 -5.527 0.461 5.334 1.00 0.00 C ATOM 562 C LYS A 40 -5.396 1.963 5.563 1.00 0.00 C ATOM 563 O LYS A 40 -6.216 2.748 5.087 1.00 0.00 O ATOM 564 CB LYS A 40 -4.350 -0.042 4.497 1.00 0.00 C ATOM 565 CG LYS A 40 -4.391 -1.537 4.223 1.00 0.00 C ATOM 566 CD LYS A 40 -3.161 -1.995 3.456 1.00 0.00 C ATOM 567 CE LYS A 40 -3.182 -1.495 2.021 1.00 0.00 C ATOM 568 NZ LYS A 40 -4.389 -1.963 1.285 1.00 0.00 N ATOM 0 H LYS A 40 -6.960 0.664 3.818 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.516 -0.038 6.303 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.336 0.492 3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.420 0.199 5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.456 -2.079 5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.288 -1.779 3.653 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.263 -1.632 3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.111 -3.084 3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.154 -0.405 2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.286 -1.839 1.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.229 -1.871 0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.573 -2.960 1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.209 -1.386 1.560 1.00 0.00 H new ATOM 582 N ARG A 41 -4.358 2.355 6.294 1.00 0.00 N ATOM 583 CA ARG A 41 -4.115 3.763 6.588 1.00 0.00 C ATOM 584 C ARG A 41 -2.871 4.262 5.860 1.00 0.00 C ATOM 585 O ARG A 41 -1.981 3.479 5.527 1.00 0.00 O ATOM 586 CB ARG A 41 -3.954 3.969 8.094 1.00 0.00 C ATOM 587 CG ARG A 41 -4.408 5.338 8.575 1.00 0.00 C ATOM 588 CD ARG A 41 -4.883 5.294 10.020 1.00 0.00 C ATOM 589 NE ARG A 41 -4.173 6.258 10.860 1.00 0.00 N ATOM 590 CZ ARG A 41 -2.961 6.046 11.368 1.00 0.00 C ATOM 591 NH1 ARG A 41 -2.318 4.912 11.119 1.00 0.00 N ATOM 592 NH2 ARG A 41 -2.391 6.972 12.127 1.00 0.00 N ATOM 0 H ARG A 41 -3.670 1.717 6.694 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.974 4.336 6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.523 3.202 8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.907 3.829 8.361 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.586 6.048 8.483 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.214 5.700 7.937 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.953 5.500 10.056 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.738 4.290 10.419 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.633 7.144 11.069 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.752 4.197 10.535 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.389 4.756 11.511 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.881 7.845 12.321 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.462 6.811 12.517 1.00 0.00 H new ATOM 606 N TYR A 42 -2.810 5.569 5.619 1.00 0.00 N ATOM 607 CA TYR A 42 -1.669 6.166 4.933 1.00 0.00 C ATOM 608 C TYR A 42 -0.371 5.847 5.668 1.00 0.00 C ATOM 609 O TYR A 42 0.617 5.438 5.057 1.00 0.00 O ATOM 610 CB TYR A 42 -1.846 7.682 4.823 1.00 0.00 C ATOM 611 CG TYR A 42 -0.784 8.359 3.985 1.00 0.00 C ATOM 612 CD1 TYR A 42 -0.912 8.442 2.604 1.00 0.00 C ATOM 613 CD2 TYR A 42 0.344 8.912 4.574 1.00 0.00 C ATOM 614 CE1 TYR A 42 0.056 9.060 1.835 1.00 0.00 C ATOM 615 CE2 TYR A 42 1.317 9.532 3.812 1.00 0.00 C ATOM 616 CZ TYR A 42 1.168 9.603 2.443 1.00 0.00 C ATOM 617 OH TYR A 42 2.134 10.218 1.680 1.00 0.00 O ATOM 0 H TYR A 42 -3.536 6.233 5.888 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.616 5.742 3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.825 7.894 4.394 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.836 8.114 5.824 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.781 8.017 2.124 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.464 8.857 5.646 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.058 9.117 0.763 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.189 9.958 4.286 1.00 0.00 H new ATOM 0 HH TYR A 42 2.966 9.702 1.727 1.00 0.00 H new ATOM 627 N SER A 43 -0.385 6.029 6.984 1.00 0.00 N ATOM 628 CA SER A 43 0.788 5.754 7.804 1.00 0.00 C ATOM 629 C SER A 43 1.191 4.288 7.687 1.00 0.00 C ATOM 630 O SER A 43 2.369 3.946 7.792 1.00 0.00 O ATOM 631 CB SER A 43 0.508 6.104 9.267 1.00 0.00 C ATOM 632 OG SER A 43 0.934 7.422 9.567 1.00 0.00 O ATOM 0 H SER A 43 -1.195 6.365 7.505 1.00 0.00 H new ATOM 0 HA SER A 43 1.610 6.372 7.444 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.559 6.008 9.469 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.021 5.396 9.918 1.00 0.00 H new ATOM 0 HG SER A 43 0.742 7.622 10.507 1.00 0.00 H new ATOM 638 N GLU A 44 0.203 3.426 7.463 1.00 0.00 N ATOM 639 CA GLU A 44 0.454 1.997 7.326 1.00 0.00 C ATOM 640 C GLU A 44 1.378 1.724 6.143 1.00 0.00 C ATOM 641 O GLU A 44 2.288 0.899 6.230 1.00 0.00 O ATOM 642 CB GLU A 44 -0.865 1.239 7.150 1.00 0.00 C ATOM 643 CG GLU A 44 -1.103 0.177 8.212 1.00 0.00 C ATOM 644 CD GLU A 44 -1.569 -1.142 7.626 1.00 0.00 C ATOM 645 OE1 GLU A 44 -2.746 -1.226 7.215 1.00 0.00 O ATOM 646 OE2 GLU A 44 -0.758 -2.090 7.578 1.00 0.00 O ATOM 0 H GLU A 44 -0.777 3.693 7.373 1.00 0.00 H new ATOM 0 HA GLU A 44 0.943 1.647 8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.689 1.952 7.170 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.875 0.767 6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.182 0.016 8.772 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.848 0.538 8.921 1.00 0.00 H new ATOM 653 N PHE A 45 1.143 2.428 5.039 1.00 0.00 N ATOM 654 CA PHE A 45 1.959 2.264 3.843 1.00 0.00 C ATOM 655 C PHE A 45 3.415 2.602 4.138 1.00 0.00 C ATOM 656 O PHE A 45 4.314 1.807 3.867 1.00 0.00 O ATOM 657 CB PHE A 45 1.430 3.151 2.711 1.00 0.00 C ATOM 658 CG PHE A 45 0.886 2.374 1.546 1.00 0.00 C ATOM 659 CD1 PHE A 45 1.742 1.781 0.632 1.00 0.00 C ATOM 660 CD2 PHE A 45 -0.480 2.237 1.367 1.00 0.00 C ATOM 661 CE1 PHE A 45 1.244 1.067 -0.441 1.00 0.00 C ATOM 662 CE2 PHE A 45 -0.984 1.523 0.296 1.00 0.00 C ATOM 663 CZ PHE A 45 -0.121 0.938 -0.609 1.00 0.00 C ATOM 0 H PHE A 45 0.395 3.116 4.949 1.00 0.00 H new ATOM 0 HA PHE A 45 1.901 1.222 3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.646 3.799 3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.234 3.799 2.362 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.810 1.878 0.760 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.159 2.693 2.072 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.921 0.610 -1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.052 1.423 0.167 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.513 0.380 -1.447 1.00 0.00 H new ATOM 673 N TRP A 46 3.641 3.785 4.704 1.00 0.00 N ATOM 674 CA TRP A 46 4.991 4.219 5.044 1.00 0.00 C ATOM 675 C TRP A 46 5.672 3.192 5.941 1.00 0.00 C ATOM 676 O TRP A 46 6.880 2.973 5.850 1.00 0.00 O ATOM 677 CB TRP A 46 4.954 5.585 5.738 1.00 0.00 C ATOM 678 CG TRP A 46 6.267 5.980 6.347 1.00 0.00 C ATOM 679 CD1 TRP A 46 6.691 5.719 7.617 1.00 0.00 C ATOM 680 CD2 TRP A 46 7.327 6.699 5.709 1.00 0.00 C ATOM 681 NE1 TRP A 46 7.951 6.231 7.808 1.00 0.00 N ATOM 682 CE2 TRP A 46 8.363 6.838 6.651 1.00 0.00 C ATOM 683 CE3 TRP A 46 7.503 7.239 4.431 1.00 0.00 C ATOM 684 CZ2 TRP A 46 9.556 7.492 6.358 1.00 0.00 C ATOM 685 CZ3 TRP A 46 8.688 7.890 4.140 1.00 0.00 C ATOM 686 CH2 TRP A 46 9.701 8.011 5.099 1.00 0.00 C ATOM 0 H TRP A 46 2.909 4.457 4.936 1.00 0.00 H new ATOM 0 HA TRP A 46 5.565 4.310 4.122 1.00 0.00 H new ATOM 0 HB2 TRP A 46 4.655 6.344 5.015 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.191 5.568 6.517 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.119 5.187 8.363 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.492 6.169 8.671 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.727 7.149 3.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.339 7.587 7.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 8.834 8.312 3.157 1.00 0.00 H new ATOM 0 HH2 TRP A 46 10.615 8.524 4.841 1.00 0.00 H new ATOM 697 N LYS A 47 4.885 2.561 6.807 1.00 0.00 N ATOM 698 CA LYS A 47 5.407 1.554 7.718 1.00 0.00 C ATOM 699 C LYS A 47 6.032 0.400 6.942 1.00 0.00 C ATOM 700 O LYS A 47 7.165 0.004 7.206 1.00 0.00 O ATOM 701 CB LYS A 47 4.293 1.033 8.631 1.00 0.00 C ATOM 702 CG LYS A 47 4.354 1.593 10.044 1.00 0.00 C ATOM 703 CD LYS A 47 3.127 2.432 10.372 1.00 0.00 C ATOM 704 CE LYS A 47 2.513 2.027 11.704 1.00 0.00 C ATOM 705 NZ LYS A 47 1.259 2.777 11.990 1.00 0.00 N ATOM 0 H LYS A 47 3.883 2.731 6.895 1.00 0.00 H new ATOM 0 HA LYS A 47 6.179 2.016 8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.327 1.283 8.191 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.351 -0.054 8.677 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.435 0.773 10.757 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.251 2.202 10.155 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.404 3.486 10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.386 2.320 9.580 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.302 0.958 11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.232 2.204 12.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.873 2.471 12.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.464 3.796 12.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.563 2.588 11.241 1.00 0.00 H new ATOM 719 N LEU A 48 5.283 -0.132 5.979 1.00 0.00 N ATOM 720 CA LEU A 48 5.765 -1.239 5.160 1.00 0.00 C ATOM 721 C LEU A 48 6.999 -0.828 4.362 1.00 0.00 C ATOM 722 O LEU A 48 7.845 -1.659 4.035 1.00 0.00 O ATOM 723 CB LEU A 48 4.659 -1.710 4.211 1.00 0.00 C ATOM 724 CG LEU A 48 5.073 -2.798 3.218 1.00 0.00 C ATOM 725 CD1 LEU A 48 5.377 -4.099 3.945 1.00 0.00 C ATOM 726 CD2 LEU A 48 3.983 -3.007 2.177 1.00 0.00 C ATOM 0 H LEU A 48 4.342 0.186 5.748 1.00 0.00 H new ATOM 0 HA LEU A 48 6.043 -2.059 5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.825 -2.082 4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.292 -0.850 3.651 1.00 0.00 H new ATOM 0 HG LEU A 48 5.980 -2.473 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.669 -4.860 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.191 -3.939 4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.489 -4.431 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.292 -3.784 1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.060 -3.310 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.815 -2.077 1.635 1.00 0.00 H new ATOM 738 N LYS A 49 7.094 0.462 4.051 1.00 0.00 N ATOM 739 CA LYS A 49 8.220 0.989 3.288 1.00 0.00 C ATOM 740 C LYS A 49 9.551 0.660 3.960 1.00 0.00 C ATOM 741 O LYS A 49 10.323 -0.159 3.461 1.00 0.00 O ATOM 742 CB LYS A 49 8.080 2.505 3.126 1.00 0.00 C ATOM 743 CG LYS A 49 8.305 2.989 1.703 1.00 0.00 C ATOM 744 CD LYS A 49 9.697 3.577 1.525 1.00 0.00 C ATOM 745 CE LYS A 49 9.812 4.945 2.177 1.00 0.00 C ATOM 746 NZ LYS A 49 10.977 5.713 1.656 1.00 0.00 N ATOM 0 H LYS A 49 6.402 1.163 4.317 1.00 0.00 H new ATOM 0 HA LYS A 49 8.210 0.516 2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.084 2.806 3.450 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.793 3.000 3.786 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.169 2.159 1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.557 3.741 1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.436 2.903 1.959 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.925 3.659 0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.897 5.510 2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.909 4.826 3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.020 6.640 2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.853 5.187 1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.872 5.849 0.630 1.00 0.00 H new ATOM 760 N THR A 50 9.816 1.312 5.086 1.00 0.00 N ATOM 761 CA THR A 50 11.060 1.102 5.825 1.00 0.00 C ATOM 762 C THR A 50 11.307 -0.380 6.106 1.00 0.00 C ATOM 763 O THR A 50 12.450 -0.835 6.098 1.00 0.00 O ATOM 764 CB THR A 50 11.049 1.897 7.136 1.00 0.00 C ATOM 765 OG1 THR A 50 11.994 1.371 8.052 1.00 0.00 O ATOM 766 CG2 THR A 50 9.700 1.910 7.827 1.00 0.00 C ATOM 0 H THR A 50 9.186 1.993 5.510 1.00 0.00 H new ATOM 0 HA THR A 50 11.877 1.463 5.199 1.00 0.00 H new ATOM 0 HB THR A 50 11.299 2.918 6.849 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.972 1.893 8.881 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.768 2.491 8.747 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.958 2.360 7.168 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.403 0.888 8.064 1.00 0.00 H new ATOM 774 N ARG A 51 10.238 -1.132 6.352 1.00 0.00 N ATOM 775 CA ARG A 51 10.367 -2.561 6.627 1.00 0.00 C ATOM 776 C ARG A 51 11.046 -3.269 5.464 1.00 0.00 C ATOM 777 O ARG A 51 12.137 -3.819 5.608 1.00 0.00 O ATOM 778 CB ARG A 51 8.997 -3.189 6.882 1.00 0.00 C ATOM 779 CG ARG A 51 8.146 -2.412 7.868 1.00 0.00 C ATOM 780 CD ARG A 51 7.968 -3.166 9.179 1.00 0.00 C ATOM 781 NE ARG A 51 6.564 -3.260 9.570 1.00 0.00 N ATOM 782 CZ ARG A 51 5.900 -2.290 10.196 1.00 0.00 C ATOM 783 NH1 ARG A 51 6.507 -1.150 10.500 1.00 0.00 N ATOM 784 NH2 ARG A 51 4.624 -2.461 10.517 1.00 0.00 N ATOM 0 H ARG A 51 9.281 -0.781 6.367 1.00 0.00 H new ATOM 0 HA ARG A 51 10.980 -2.677 7.521 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.461 -3.268 5.936 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.136 -4.204 7.255 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.609 -1.445 8.065 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.169 -2.214 7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.385 -4.168 9.080 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.531 -2.663 9.966 1.00 0.00 H new ATOM 0 HE ARG A 51 6.062 -4.120 9.350 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.487 -1.013 10.254 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.993 -0.411 10.979 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.152 -3.335 10.284 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.115 -1.719 10.996 1.00 0.00 H new ATOM 798 N LEU A 52 10.391 -3.246 4.309 1.00 0.00 N ATOM 799 CA LEU A 52 10.925 -3.883 3.108 1.00 0.00 C ATOM 800 C LEU A 52 12.387 -3.498 2.887 1.00 0.00 C ATOM 801 O LEU A 52 13.168 -4.277 2.342 1.00 0.00 O ATOM 802 CB LEU A 52 10.098 -3.487 1.882 1.00 0.00 C ATOM 803 CG LEU A 52 8.607 -3.814 1.968 1.00 0.00 C ATOM 804 CD1 LEU A 52 7.826 -3.017 0.935 1.00 0.00 C ATOM 805 CD2 LEU A 52 8.378 -5.305 1.777 1.00 0.00 C ATOM 0 H LEU A 52 9.487 -2.792 4.177 1.00 0.00 H new ATOM 0 HA LEU A 52 10.867 -4.962 3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.210 -2.415 1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.513 -3.987 1.007 1.00 0.00 H new ATOM 0 HG LEU A 52 8.249 -3.535 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.767 -3.263 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.965 -1.951 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.185 -3.265 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.311 -5.520 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.751 -5.608 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.907 -5.857 2.554 1.00 0.00 H new ATOM 817 N GLU A 53 12.746 -2.291 3.309 1.00 0.00 N ATOM 818 CA GLU A 53 14.113 -1.804 3.153 1.00 0.00 C ATOM 819 C GLU A 53 15.094 -2.652 3.958 1.00 0.00 C ATOM 820 O GLU A 53 16.089 -3.142 3.425 1.00 0.00 O ATOM 821 CB GLU A 53 14.207 -0.338 3.585 1.00 0.00 C ATOM 822 CG GLU A 53 14.227 0.638 2.419 1.00 0.00 C ATOM 823 CD GLU A 53 14.545 2.056 2.851 1.00 0.00 C ATOM 824 OE1 GLU A 53 14.254 2.402 4.016 1.00 0.00 O ATOM 825 OE2 GLU A 53 15.085 2.821 2.025 1.00 0.00 O ATOM 0 H GLU A 53 12.112 -1.632 3.761 1.00 0.00 H new ATOM 0 HA GLU A 53 14.380 -1.882 2.099 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.361 -0.103 4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.110 -0.200 4.180 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.966 0.310 1.688 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.258 0.623 1.921 1.00 0.00 H new ATOM 832 N ARG A 54 14.808 -2.819 5.245 1.00 0.00 N ATOM 833 CA ARG A 54 15.665 -3.606 6.126 1.00 0.00 C ATOM 834 C ARG A 54 15.364 -5.097 6.003 1.00 0.00 C ATOM 835 O ARG A 54 16.210 -5.939 6.302 1.00 0.00 O ATOM 836 CB ARG A 54 15.479 -3.162 7.577 1.00 0.00 C ATOM 837 CG ARG A 54 14.029 -3.157 8.030 1.00 0.00 C ATOM 838 CD ARG A 54 13.892 -3.611 9.474 1.00 0.00 C ATOM 839 NE ARG A 54 13.584 -2.501 10.372 1.00 0.00 N ATOM 840 CZ ARG A 54 14.497 -1.660 10.854 1.00 0.00 C ATOM 841 NH1 ARG A 54 15.777 -1.797 10.527 1.00 0.00 N ATOM 842 NH2 ARG A 54 14.130 -0.680 11.668 1.00 0.00 N ATOM 0 H ARG A 54 13.988 -2.419 5.702 1.00 0.00 H new ATOM 0 HA ARG A 54 16.699 -3.438 5.824 1.00 0.00 H new ATOM 0 HB2 ARG A 54 16.052 -3.824 8.227 1.00 0.00 H new ATOM 0 HB3 ARG A 54 15.892 -2.161 7.698 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.617 -2.153 7.923 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.443 -3.812 7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.106 -4.362 9.544 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.819 -4.088 9.793 1.00 0.00 H new ATOM 0 HE ARG A 54 12.611 -2.362 10.646 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.066 -2.550 9.903 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.471 -1.149 10.900 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.149 -0.571 11.925 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.829 -0.035 12.038 1.00 0.00 H new ATOM 856 N ASP A 55 14.152 -5.415 5.563 1.00 0.00 N ATOM 857 CA ASP A 55 13.733 -6.803 5.400 1.00 0.00 C ATOM 858 C ASP A 55 14.255 -7.371 4.088 1.00 0.00 C ATOM 859 O ASP A 55 14.748 -8.499 4.037 1.00 0.00 O ATOM 860 CB ASP A 55 12.208 -6.906 5.444 1.00 0.00 C ATOM 861 CG ASP A 55 11.734 -8.155 6.160 1.00 0.00 C ATOM 862 OD1 ASP A 55 12.432 -9.187 6.079 1.00 0.00 O ATOM 863 OD2 ASP A 55 10.664 -8.101 6.803 1.00 0.00 O ATOM 0 H ASP A 55 13.440 -4.729 5.312 1.00 0.00 H new ATOM 0 HA ASP A 55 14.151 -7.385 6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.801 -6.027 5.944 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.817 -6.903 4.427 1.00 0.00 H new ATOM 868 N VAL A 56 14.146 -6.580 3.030 1.00 0.00 N ATOM 869 CA VAL A 56 14.609 -6.992 1.714 1.00 0.00 C ATOM 870 C VAL A 56 16.087 -6.675 1.542 1.00 0.00 C ATOM 871 O VAL A 56 16.806 -7.370 0.824 1.00 0.00 O ATOM 872 CB VAL A 56 13.813 -6.295 0.598 1.00 0.00 C ATOM 873 CG1 VAL A 56 14.185 -6.867 -0.758 1.00 0.00 C ATOM 874 CG2 VAL A 56 12.318 -6.420 0.851 1.00 0.00 C ATOM 0 H VAL A 56 13.739 -5.645 3.059 1.00 0.00 H new ATOM 0 HA VAL A 56 14.455 -8.068 1.639 1.00 0.00 H new ATOM 0 HB VAL A 56 14.069 -5.235 0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.612 -6.362 -1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 56 15.250 -6.717 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 56 13.961 -7.934 -0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.771 -5.921 0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.040 -7.474 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.070 -5.955 1.805 1.00 0.00 H new ATOM 884 N GLY A 57 16.532 -5.616 2.207 1.00 0.00 N ATOM 885 CA GLY A 57 17.924 -5.214 2.120 1.00 0.00 C ATOM 886 C GLY A 57 18.208 -4.338 0.914 1.00 0.00 C ATOM 887 O GLY A 57 19.335 -3.883 0.724 1.00 0.00 O ATOM 0 H GLY A 57 15.953 -5.027 2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 57 18.200 -4.676 3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 57 18.552 -6.104 2.073 1.00 0.00 H new ATOM 891 N SER A 58 17.185 -4.098 0.096 1.00 0.00 N ATOM 892 CA SER A 58 17.338 -3.271 -1.094 1.00 0.00 C ATOM 893 C SER A 58 16.544 -1.975 -0.960 1.00 0.00 C ATOM 894 O SER A 58 15.470 -1.952 -0.360 1.00 0.00 O ATOM 895 CB SER A 58 16.882 -4.038 -2.337 1.00 0.00 C ATOM 896 OG SER A 58 17.991 -4.492 -3.093 1.00 0.00 O ATOM 0 H SER A 58 16.244 -4.465 0.237 1.00 0.00 H new ATOM 0 HA SER A 58 18.394 -3.020 -1.199 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.269 -4.888 -2.039 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.256 -3.395 -2.955 1.00 0.00 H new ATOM 0 HG SER A 58 17.679 -4.838 -3.955 1.00 0.00 H new ATOM 902 N THR A 59 17.081 -0.898 -1.524 1.00 0.00 N ATOM 903 CA THR A 59 16.424 0.402 -1.467 1.00 0.00 C ATOM 904 C THR A 59 15.125 0.390 -2.269 1.00 0.00 C ATOM 905 O THR A 59 15.137 0.196 -3.485 1.00 0.00 O ATOM 906 CB THR A 59 17.358 1.495 -1.997 1.00 0.00 C ATOM 907 OG1 THR A 59 18.557 0.934 -2.502 1.00 0.00 O ATOM 908 CG2 THR A 59 17.736 2.518 -0.948 1.00 0.00 C ATOM 0 H THR A 59 17.969 -0.900 -2.026 1.00 0.00 H new ATOM 0 HA THR A 59 16.184 0.615 -0.425 1.00 0.00 H new ATOM 0 HB THR A 59 16.796 1.995 -2.786 1.00 0.00 H new ATOM 0 HG1 THR A 59 19.137 1.649 -2.836 1.00 0.00 H new ATOM 0 HG21 THR A 59 18.398 3.263 -1.389 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.836 3.007 -0.576 1.00 0.00 H new ATOM 0 HG23 THR A 59 18.247 2.021 -0.123 1.00 0.00 H new ATOM 916 N ILE A 60 14.007 0.602 -1.581 1.00 0.00 N ATOM 917 CA ILE A 60 12.702 0.616 -2.231 1.00 0.00 C ATOM 918 C ILE A 60 12.648 1.694 -3.318 1.00 0.00 C ATOM 919 O ILE A 60 12.930 2.862 -3.054 1.00 0.00 O ATOM 920 CB ILE A 60 11.571 0.856 -1.209 1.00 0.00 C ATOM 921 CG1 ILE A 60 10.206 0.610 -1.854 1.00 0.00 C ATOM 922 CG2 ILE A 60 11.646 2.266 -0.636 1.00 0.00 C ATOM 923 CD1 ILE A 60 9.469 -0.580 -1.277 1.00 0.00 C ATOM 0 H ILE A 60 13.979 0.766 -0.575 1.00 0.00 H new ATOM 0 HA ILE A 60 12.556 -0.362 -2.690 1.00 0.00 H new ATOM 0 HB ILE A 60 11.699 0.150 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.590 1.501 -1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 60 10.341 0.459 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.838 2.411 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.605 2.405 -0.136 1.00 0.00 H new ATOM 0 HG23 ILE A 60 11.549 2.992 -1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.510 -0.694 -1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.064 -1.482 -1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.302 -0.423 -0.211 1.00 0.00 H new ATOM 935 N PRO A 61 12.300 1.315 -4.564 1.00 0.00 N ATOM 936 CA PRO A 61 12.233 2.253 -5.683 1.00 0.00 C ATOM 937 C PRO A 61 10.889 2.973 -5.792 1.00 0.00 C ATOM 938 O PRO A 61 10.383 3.190 -6.893 1.00 0.00 O ATOM 939 CB PRO A 61 12.446 1.341 -6.887 1.00 0.00 C ATOM 940 CG PRO A 61 11.829 0.043 -6.487 1.00 0.00 C ATOM 941 CD PRO A 61 11.966 -0.061 -4.986 1.00 0.00 C ATOM 0 HA PRO A 61 12.960 3.059 -5.583 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.972 1.747 -7.781 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.506 1.224 -7.113 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.781 0.006 -6.783 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.329 -0.791 -6.980 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.042 -0.408 -4.523 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.748 -0.766 -4.704 1.00 0.00 H new ATOM 949 N TYR A 62 10.316 3.350 -4.652 1.00 0.00 N ATOM 950 CA TYR A 62 9.037 4.051 -4.639 1.00 0.00 C ATOM 951 C TYR A 62 9.182 5.435 -4.016 1.00 0.00 C ATOM 952 O TYR A 62 10.038 5.655 -3.160 1.00 0.00 O ATOM 953 CB TYR A 62 7.993 3.241 -3.870 1.00 0.00 C ATOM 954 CG TYR A 62 7.591 1.961 -4.566 1.00 0.00 C ATOM 955 CD1 TYR A 62 7.105 1.979 -5.866 1.00 0.00 C ATOM 956 CD2 TYR A 62 7.697 0.737 -3.922 1.00 0.00 C ATOM 957 CE1 TYR A 62 6.735 0.812 -6.506 1.00 0.00 C ATOM 958 CE2 TYR A 62 7.330 -0.437 -4.554 1.00 0.00 C ATOM 959 CZ TYR A 62 6.849 -0.393 -5.845 1.00 0.00 C ATOM 960 OH TYR A 62 6.482 -1.559 -6.478 1.00 0.00 O ATOM 0 H TYR A 62 10.716 3.182 -3.729 1.00 0.00 H new ATOM 0 HA TYR A 62 8.706 4.168 -5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.387 3.000 -2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.106 3.857 -3.718 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.015 2.921 -6.386 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.072 0.700 -2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.359 0.843 -7.518 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.420 -1.382 -4.039 1.00 0.00 H new ATOM 0 HH TYR A 62 7.202 -2.219 -6.392 1.00 0.00 H new ATOM 970 N ASP A 63 8.339 6.366 -4.452 1.00 0.00 N ATOM 971 CA ASP A 63 8.374 7.730 -3.936 1.00 0.00 C ATOM 972 C ASP A 63 7.228 7.971 -2.959 1.00 0.00 C ATOM 973 O ASP A 63 6.074 8.116 -3.363 1.00 0.00 O ATOM 974 CB ASP A 63 8.296 8.735 -5.087 1.00 0.00 C ATOM 975 CG ASP A 63 9.368 8.497 -6.134 1.00 0.00 C ATOM 976 OD1 ASP A 63 10.540 8.838 -5.871 1.00 0.00 O ATOM 977 OD2 ASP A 63 9.034 7.970 -7.216 1.00 0.00 O ATOM 0 H ASP A 63 7.624 6.201 -5.161 1.00 0.00 H new ATOM 0 HA ASP A 63 9.316 7.867 -3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.314 8.672 -5.555 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.396 9.746 -4.691 1.00 0.00 H new ATOM 982 N PHE A 64 7.554 8.014 -1.671 1.00 0.00 N ATOM 983 CA PHE A 64 6.551 8.238 -0.636 1.00 0.00 C ATOM 984 C PHE A 64 6.911 9.453 0.218 1.00 0.00 C ATOM 985 O PHE A 64 7.693 9.349 1.162 1.00 0.00 O ATOM 986 CB PHE A 64 6.426 6.999 0.252 1.00 0.00 C ATOM 987 CG PHE A 64 5.130 6.928 1.007 1.00 0.00 C ATOM 988 CD1 PHE A 64 4.902 7.754 2.097 1.00 0.00 C ATOM 989 CD2 PHE A 64 4.140 6.036 0.628 1.00 0.00 C ATOM 990 CE1 PHE A 64 3.712 7.690 2.794 1.00 0.00 C ATOM 991 CE2 PHE A 64 2.947 5.968 1.322 1.00 0.00 C ATOM 992 CZ PHE A 64 2.733 6.796 2.406 1.00 0.00 C ATOM 0 H PHE A 64 8.504 7.897 -1.319 1.00 0.00 H new ATOM 0 HA PHE A 64 5.595 8.429 -1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.525 6.107 -0.367 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.252 6.987 0.963 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.664 8.455 2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.302 5.386 -0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.547 8.338 3.642 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.183 5.268 1.017 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.801 6.745 2.950 1.00 0.00 H new ATOM 1002 N PRO A 65 6.342 10.630 -0.103 1.00 0.00 N ATOM 1003 CA PRO A 65 6.607 11.863 0.637 1.00 0.00 C ATOM 1004 C PRO A 65 5.778 11.969 1.914 1.00 0.00 C ATOM 1005 O PRO A 65 4.549 12.034 1.863 1.00 0.00 O ATOM 1006 CB PRO A 65 6.198 12.946 -0.356 1.00 0.00 C ATOM 1007 CG PRO A 65 5.097 12.328 -1.150 1.00 0.00 C ATOM 1008 CD PRO A 65 5.398 10.851 -1.218 1.00 0.00 C ATOM 0 HA PRO A 65 7.642 11.929 0.971 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.861 13.847 0.156 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.033 13.236 -0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.131 12.506 -0.678 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.048 12.761 -2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.494 10.253 -1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.840 10.577 -2.176 1.00 0.00 H new ATOM 1258 N TYR A 79 -6.455 15.286 8.163 1.00 0.00 N ATOM 1259 CA TYR A 79 -6.475 13.981 7.513 1.00 0.00 C ATOM 1260 C TYR A 79 -7.864 13.660 6.962 1.00 0.00 C ATOM 1261 O TYR A 79 -8.012 12.786 6.109 1.00 0.00 O ATOM 1262 CB TYR A 79 -6.040 12.892 8.496 1.00 0.00 C ATOM 1263 CG TYR A 79 -6.816 12.900 9.793 1.00 0.00 C ATOM 1264 CD1 TYR A 79 -8.115 12.409 9.851 1.00 0.00 C ATOM 1265 CD2 TYR A 79 -6.250 13.396 10.961 1.00 0.00 C ATOM 1266 CE1 TYR A 79 -8.828 12.413 11.034 1.00 0.00 C ATOM 1267 CE2 TYR A 79 -6.958 13.404 12.148 1.00 0.00 C ATOM 1268 CZ TYR A 79 -8.245 12.911 12.180 1.00 0.00 C ATOM 1269 OH TYR A 79 -8.951 12.918 13.360 1.00 0.00 O ATOM 0 HA TYR A 79 -5.775 14.012 6.678 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.155 11.918 8.020 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.980 13.016 8.716 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -8.575 12.018 8.956 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.241 13.781 10.941 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.837 12.028 11.061 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.505 13.795 13.047 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.858 12.583 13.200 1.00 0.00 H new ATOM 1279 N ASP A 80 -8.878 14.367 7.454 1.00 0.00 N ATOM 1280 CA ASP A 80 -10.248 14.146 7.004 1.00 0.00 C ATOM 1281 C ASP A 80 -10.634 15.125 5.896 1.00 0.00 C ATOM 1282 O ASP A 80 -11.817 15.325 5.622 1.00 0.00 O ATOM 1283 CB ASP A 80 -11.219 14.279 8.178 1.00 0.00 C ATOM 1284 CG ASP A 80 -11.124 15.632 8.856 1.00 0.00 C ATOM 1285 OD1 ASP A 80 -10.602 16.576 8.227 1.00 0.00 O ATOM 1286 OD2 ASP A 80 -11.572 15.747 10.017 1.00 0.00 O ATOM 0 H ASP A 80 -8.777 15.095 8.161 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.307 13.135 6.600 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.238 14.124 7.823 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.013 13.495 8.907 1.00 0.00 H new ATOM 1291 N ASP A 81 -9.634 15.728 5.261 1.00 0.00 N ATOM 1292 CA ASP A 81 -9.877 16.680 4.182 1.00 0.00 C ATOM 1293 C ASP A 81 -9.984 15.960 2.838 1.00 0.00 C ATOM 1294 O ASP A 81 -8.997 15.417 2.339 1.00 0.00 O ATOM 1295 CB ASP A 81 -8.755 17.719 4.130 1.00 0.00 C ATOM 1296 CG ASP A 81 -9.113 18.995 4.866 1.00 0.00 C ATOM 1297 OD1 ASP A 81 -9.180 18.962 6.113 1.00 0.00 O ATOM 1298 OD2 ASP A 81 -9.326 20.027 4.196 1.00 0.00 O ATOM 0 H ASP A 81 -8.648 15.575 5.474 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.822 17.186 4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.850 17.294 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.529 17.954 3.090 1.00 0.00 H new ATOM 1303 N PRO A 82 -11.185 15.941 2.228 1.00 0.00 N ATOM 1304 CA PRO A 82 -11.401 15.278 0.937 1.00 0.00 C ATOM 1305 C PRO A 82 -10.404 15.734 -0.123 1.00 0.00 C ATOM 1306 O PRO A 82 -9.993 14.950 -0.978 1.00 0.00 O ATOM 1307 CB PRO A 82 -12.821 15.701 0.551 1.00 0.00 C ATOM 1308 CG PRO A 82 -13.490 16.004 1.847 1.00 0.00 C ATOM 1309 CD PRO A 82 -12.420 16.560 2.745 1.00 0.00 C ATOM 0 HA PRO A 82 -11.268 14.198 1.008 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.811 16.573 -0.103 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.339 14.906 0.014 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -14.298 16.723 1.711 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.933 15.106 2.277 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.377 17.648 2.693 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.595 16.298 3.788 1.00 0.00 H new ATOM 1317 N GLU A 83 -10.018 17.004 -0.060 1.00 0.00 N ATOM 1318 CA GLU A 83 -9.068 17.563 -1.015 1.00 0.00 C ATOM 1319 C GLU A 83 -7.760 16.777 -1.001 1.00 0.00 C ATOM 1320 O GLU A 83 -7.266 16.355 -2.046 1.00 0.00 O ATOM 1321 CB GLU A 83 -8.796 19.034 -0.695 1.00 0.00 C ATOM 1322 CG GLU A 83 -10.058 19.868 -0.550 1.00 0.00 C ATOM 1323 CD GLU A 83 -9.796 21.353 -0.704 1.00 0.00 C ATOM 1324 OE1 GLU A 83 -9.115 21.739 -1.677 1.00 0.00 O ATOM 1325 OE2 GLU A 83 -10.272 22.131 0.150 1.00 0.00 O ATOM 0 H GLU A 83 -10.348 17.666 0.642 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.505 17.491 -2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.221 19.096 0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.177 19.461 -1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.786 19.552 -1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.503 19.681 0.427 1.00 0.00 H new ATOM 1332 N MET A 84 -7.208 16.583 0.193 1.00 0.00 N ATOM 1333 CA MET A 84 -5.959 15.846 0.345 1.00 0.00 C ATOM 1334 C MET A 84 -6.191 14.348 0.173 1.00 0.00 C ATOM 1335 O MET A 84 -5.325 13.630 -0.326 1.00 0.00 O ATOM 1336 CB MET A 84 -5.345 16.126 1.717 1.00 0.00 C ATOM 1337 CG MET A 84 -4.024 15.412 1.950 1.00 0.00 C ATOM 1338 SD MET A 84 -3.666 15.169 3.701 1.00 0.00 S ATOM 1339 CE MET A 84 -5.128 14.277 4.224 1.00 0.00 C ATOM 0 H MET A 84 -7.606 16.925 1.068 1.00 0.00 H new ATOM 0 HA MET A 84 -5.268 16.180 -0.429 1.00 0.00 H new ATOM 0 HB2 MET A 84 -5.192 17.200 1.825 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.052 15.826 2.490 1.00 0.00 H new ATOM 0 HG2 MET A 84 -4.045 14.444 1.450 1.00 0.00 H new ATOM 0 HG3 MET A 84 -3.219 15.988 1.495 1.00 0.00 H new ATOM 0 HE1 MET A 84 -4.844 13.491 4.924 1.00 0.00 H new ATOM 0 HE2 MET A 84 -5.819 14.965 4.712 1.00 0.00 H new ATOM 0 HE3 MET A 84 -5.613 13.831 3.355 1.00 0.00 H new ATOM 1349 N ILE A 85 -7.366 13.885 0.585 1.00 0.00 N ATOM 1350 CA ILE A 85 -7.714 12.474 0.474 1.00 0.00 C ATOM 1351 C ILE A 85 -7.876 12.068 -0.990 1.00 0.00 C ATOM 1352 O ILE A 85 -7.562 10.941 -1.370 1.00 0.00 O ATOM 1353 CB ILE A 85 -9.012 12.157 1.251 1.00 0.00 C ATOM 1354 CG1 ILE A 85 -8.743 12.182 2.758 1.00 0.00 C ATOM 1355 CG2 ILE A 85 -9.584 10.806 0.836 1.00 0.00 C ATOM 1356 CD1 ILE A 85 -9.784 12.942 3.547 1.00 0.00 C ATOM 0 H ILE A 85 -8.094 14.467 0.999 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.898 11.900 0.912 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.749 12.923 1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.696 11.157 3.127 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.766 12.630 2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.497 10.609 1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.810 10.819 -0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.854 10.023 1.043 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.528 12.917 4.606 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.816 13.977 3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.761 12.481 3.399 1.00 0.00 H new ATOM 1368 N ASP A 86 -8.366 12.996 -1.805 1.00 0.00 N ATOM 1369 CA ASP A 86 -8.568 12.737 -3.226 1.00 0.00 C ATOM 1370 C ASP A 86 -7.266 12.301 -3.892 1.00 0.00 C ATOM 1371 O ASP A 86 -7.253 11.383 -4.713 1.00 0.00 O ATOM 1372 CB ASP A 86 -9.118 13.983 -3.922 1.00 0.00 C ATOM 1373 CG ASP A 86 -10.180 13.649 -4.951 1.00 0.00 C ATOM 1374 OD1 ASP A 86 -11.367 13.561 -4.573 1.00 0.00 O ATOM 1375 OD2 ASP A 86 -9.825 13.476 -6.136 1.00 0.00 O ATOM 0 H ASP A 86 -8.631 13.935 -1.506 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.292 11.928 -3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.538 14.657 -3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.300 14.515 -4.408 1.00 0.00 H new ATOM 1380 N GLU A 87 -6.172 12.963 -3.531 1.00 0.00 N ATOM 1381 CA GLU A 87 -4.865 12.641 -4.094 1.00 0.00 C ATOM 1382 C GLU A 87 -4.223 11.483 -3.339 1.00 0.00 C ATOM 1383 O GLU A 87 -3.571 10.629 -3.937 1.00 0.00 O ATOM 1384 CB GLU A 87 -3.950 13.866 -4.055 1.00 0.00 C ATOM 1385 CG GLU A 87 -4.570 15.108 -4.674 1.00 0.00 C ATOM 1386 CD GLU A 87 -3.630 15.815 -5.632 1.00 0.00 C ATOM 1387 OE1 GLU A 87 -2.643 16.417 -5.159 1.00 0.00 O ATOM 1388 OE2 GLU A 87 -3.880 15.764 -6.854 1.00 0.00 O ATOM 0 H GLU A 87 -6.164 13.724 -2.852 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.007 12.341 -5.132 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.686 14.079 -3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.023 13.633 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.481 14.829 -5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.861 15.798 -3.882 1.00 0.00 H new ATOM 1395 N ARG A 88 -4.421 11.449 -2.024 1.00 0.00 N ATOM 1396 CA ARG A 88 -3.867 10.381 -1.200 1.00 0.00 C ATOM 1397 C ARG A 88 -4.273 9.018 -1.754 1.00 0.00 C ATOM 1398 O ARG A 88 -3.579 8.021 -1.556 1.00 0.00 O ATOM 1399 CB ARG A 88 -4.345 10.521 0.246 1.00 0.00 C ATOM 1400 CG ARG A 88 -3.334 11.190 1.163 1.00 0.00 C ATOM 1401 CD ARG A 88 -3.997 11.726 2.423 1.00 0.00 C ATOM 1402 NE ARG A 88 -3.664 10.925 3.600 1.00 0.00 N ATOM 1403 CZ ARG A 88 -4.474 10.768 4.647 1.00 0.00 C ATOM 1404 NH1 ARG A 88 -5.666 11.353 4.674 1.00 0.00 N ATOM 1405 NH2 ARG A 88 -4.088 10.024 5.675 1.00 0.00 N ATOM 0 H ARG A 88 -4.959 12.146 -1.509 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.780 10.459 -1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.270 11.097 0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.579 9.532 0.639 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.558 10.475 1.435 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.844 12.006 0.633 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.685 12.757 2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.078 11.738 2.287 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.757 10.458 3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.969 11.929 3.889 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.278 11.226 5.480 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.173 9.573 5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.706 9.903 6.477 1.00 0.00 H new ATOM 1419 N ARG A 89 -5.403 8.991 -2.455 1.00 0.00 N ATOM 1420 CA ARG A 89 -5.911 7.762 -3.049 1.00 0.00 C ATOM 1421 C ARG A 89 -4.924 7.205 -4.068 1.00 0.00 C ATOM 1422 O ARG A 89 -4.374 6.120 -3.883 1.00 0.00 O ATOM 1423 CB ARG A 89 -7.258 8.022 -3.722 1.00 0.00 C ATOM 1424 CG ARG A 89 -8.173 6.809 -3.744 1.00 0.00 C ATOM 1425 CD ARG A 89 -9.636 7.212 -3.656 1.00 0.00 C ATOM 1426 NE ARG A 89 -10.292 7.190 -4.962 1.00 0.00 N ATOM 1427 CZ ARG A 89 -10.251 8.197 -5.833 1.00 0.00 C ATOM 1428 NH1 ARG A 89 -9.584 9.308 -5.546 1.00 0.00 N ATOM 1429 NH2 ARG A 89 -10.879 8.091 -6.996 1.00 0.00 N ATOM 0 H ARG A 89 -5.985 9.811 -2.625 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.041 7.027 -2.254 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.762 8.837 -3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.085 8.354 -4.746 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.005 6.242 -4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.925 6.150 -2.912 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.157 6.537 -2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.711 8.212 -3.230 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.813 6.353 -5.222 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.098 9.395 -4.653 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -9.557 10.075 -6.218 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.393 7.239 -7.223 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -10.849 8.861 -7.664 1.00 0.00 H new ATOM 1443 N ILE A 90 -4.707 7.953 -5.145 1.00 0.00 N ATOM 1444 CA ILE A 90 -3.787 7.524 -6.193 1.00 0.00 C ATOM 1445 C ILE A 90 -2.373 7.363 -5.650 1.00 0.00 C ATOM 1446 O ILE A 90 -2.087 7.733 -4.511 1.00 0.00 O ATOM 1447 CB ILE A 90 -3.760 8.512 -7.379 1.00 0.00 C ATOM 1448 CG1 ILE A 90 -3.624 9.955 -6.888 1.00 0.00 C ATOM 1449 CG2 ILE A 90 -5.008 8.349 -8.231 1.00 0.00 C ATOM 1450 CD1 ILE A 90 -2.258 10.277 -6.324 1.00 0.00 C ATOM 0 H ILE A 90 -5.153 8.855 -5.315 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.153 6.561 -6.549 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.889 8.285 -7.993 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.835 10.633 -7.715 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.377 10.142 -6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.975 9.052 -9.063 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.054 7.331 -8.618 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.891 8.547 -7.624 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.236 11.316 -5.996 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.051 9.624 -5.476 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.501 10.123 -7.093 1.00 0.00 H new ATOM 1462 N GLY A 91 -1.492 6.807 -6.474 1.00 0.00 N ATOM 1463 CA GLY A 91 -0.115 6.606 -6.060 1.00 0.00 C ATOM 1464 C GLY A 91 0.088 5.296 -5.322 1.00 0.00 C ATOM 1465 O GLY A 91 0.962 4.506 -5.677 1.00 0.00 O ATOM 0 H GLY A 91 -1.706 6.492 -7.420 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.531 6.628 -6.938 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.191 7.432 -5.418 1.00 0.00 H new ATOM 1469 N LEU A 92 -0.720 5.066 -4.290 1.00 0.00 N ATOM 1470 CA LEU A 92 -0.623 3.844 -3.499 1.00 0.00 C ATOM 1471 C LEU A 92 -0.738 2.608 -4.386 1.00 0.00 C ATOM 1472 O LEU A 92 0.080 1.691 -4.300 1.00 0.00 O ATOM 1473 CB LEU A 92 -1.712 3.816 -2.424 1.00 0.00 C ATOM 1474 CG LEU A 92 -1.702 5.004 -1.459 1.00 0.00 C ATOM 1475 CD1 LEU A 92 -3.021 5.089 -0.706 1.00 0.00 C ATOM 1476 CD2 LEU A 92 -0.538 4.892 -0.485 1.00 0.00 C ATOM 0 H LEU A 92 -1.449 5.710 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 92 0.354 3.833 -3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.684 3.775 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.607 2.898 -1.846 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.577 5.918 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.997 5.939 -0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.838 5.217 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.175 4.172 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.547 5.745 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.632 3.971 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.400 4.879 -1.039 1.00 0.00 H new ATOM 1488 N GLU A 93 -1.759 2.588 -5.239 1.00 0.00 N ATOM 1489 CA GLU A 93 -1.981 1.463 -6.142 1.00 0.00 C ATOM 1490 C GLU A 93 -0.729 1.161 -6.960 1.00 0.00 C ATOM 1491 O GLU A 93 -0.335 0.003 -7.106 1.00 0.00 O ATOM 1492 CB GLU A 93 -3.157 1.756 -7.077 1.00 0.00 C ATOM 1493 CG GLU A 93 -3.093 3.131 -7.723 1.00 0.00 C ATOM 1494 CD GLU A 93 -4.421 3.861 -7.676 1.00 0.00 C ATOM 1495 OE1 GLU A 93 -4.777 4.374 -6.594 1.00 0.00 O ATOM 1496 OE2 GLU A 93 -5.104 3.919 -8.719 1.00 0.00 O ATOM 0 H GLU A 93 -2.445 3.338 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.215 0.587 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.186 0.997 -7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.087 1.671 -6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.335 3.730 -7.218 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.777 3.026 -8.761 1.00 0.00 H new ATOM 1503 N ARG A 94 -0.104 2.209 -7.490 1.00 0.00 N ATOM 1504 CA ARG A 94 1.105 2.052 -8.291 1.00 0.00 C ATOM 1505 C ARG A 94 2.219 1.414 -7.468 1.00 0.00 C ATOM 1506 O ARG A 94 2.968 0.571 -7.963 1.00 0.00 O ATOM 1507 CB ARG A 94 1.566 3.408 -8.829 1.00 0.00 C ATOM 1508 CG ARG A 94 0.934 3.781 -10.160 1.00 0.00 C ATOM 1509 CD ARG A 94 -0.255 4.710 -9.973 1.00 0.00 C ATOM 1510 NE ARG A 94 -0.238 5.821 -10.921 1.00 0.00 N ATOM 1511 CZ ARG A 94 -1.103 6.832 -10.893 1.00 0.00 C ATOM 1512 NH1 ARG A 94 -2.056 6.874 -9.970 1.00 0.00 N ATOM 1513 NH2 ARG A 94 -1.016 7.804 -11.792 1.00 0.00 N ATOM 0 H ARG A 94 -0.415 3.174 -7.379 1.00 0.00 H new ATOM 0 HA ARG A 94 0.874 1.396 -9.131 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.331 4.179 -8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.650 3.395 -8.942 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.678 4.264 -10.794 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.613 2.877 -10.677 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -1.179 4.145 -10.094 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.252 5.102 -8.956 1.00 0.00 H new ATOM 0 HE ARG A 94 0.479 5.822 -11.647 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.128 6.129 -9.277 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.716 7.651 -9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.286 7.776 -12.504 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.679 8.579 -11.771 1.00 0.00 H new ATOM 1527 N PHE A 95 2.321 1.823 -6.208 1.00 0.00 N ATOM 1528 CA PHE A 95 3.340 1.295 -5.307 1.00 0.00 C ATOM 1529 C PHE A 95 3.216 -0.220 -5.172 1.00 0.00 C ATOM 1530 O PHE A 95 4.200 -0.912 -4.911 1.00 0.00 O ATOM 1531 CB PHE A 95 3.218 1.958 -3.932 1.00 0.00 C ATOM 1532 CG PHE A 95 4.211 1.457 -2.919 1.00 0.00 C ATOM 1533 CD1 PHE A 95 4.067 0.201 -2.351 1.00 0.00 C ATOM 1534 CD2 PHE A 95 5.284 2.245 -2.532 1.00 0.00 C ATOM 1535 CE1 PHE A 95 4.976 -0.259 -1.417 1.00 0.00 C ATOM 1536 CE2 PHE A 95 6.194 1.790 -1.598 1.00 0.00 C ATOM 1537 CZ PHE A 95 6.040 0.536 -1.039 1.00 0.00 C ATOM 0 H PHE A 95 1.708 2.521 -5.786 1.00 0.00 H new ATOM 0 HA PHE A 95 4.320 1.521 -5.728 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.344 3.035 -4.047 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.211 1.794 -3.549 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.236 -0.425 -2.641 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.410 3.226 -2.966 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.854 -1.240 -0.983 1.00 0.00 H new ATOM 0 HE2 PHE A 95 7.025 2.414 -1.305 1.00 0.00 H new ATOM 0 HZ PHE A 95 6.750 0.178 -0.308 1.00 0.00 H new ATOM 1547 N LEU A 96 2.000 -0.730 -5.346 1.00 0.00 N ATOM 1548 CA LEU A 96 1.749 -2.162 -5.238 1.00 0.00 C ATOM 1549 C LEU A 96 1.971 -2.867 -6.573 1.00 0.00 C ATOM 1550 O LEU A 96 2.638 -3.899 -6.635 1.00 0.00 O ATOM 1551 CB LEU A 96 0.320 -2.413 -4.751 1.00 0.00 C ATOM 1552 CG LEU A 96 -0.015 -1.815 -3.384 1.00 0.00 C ATOM 1553 CD1 LEU A 96 -1.493 -1.991 -3.072 1.00 0.00 C ATOM 1554 CD2 LEU A 96 0.842 -2.452 -2.300 1.00 0.00 C ATOM 0 H LEU A 96 1.174 -0.172 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 96 2.455 -2.570 -4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.374 -2.008 -5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.150 -3.489 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 96 0.204 -0.748 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.713 -1.559 -2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.088 -1.487 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.739 -3.053 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.591 -2.015 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.655 -3.525 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.895 -2.273 -2.516 1.00 0.00 H new ATOM 1566 N ASN A 97 1.402 -2.310 -7.639 1.00 0.00 N ATOM 1567 CA ASN A 97 1.530 -2.892 -8.975 1.00 0.00 C ATOM 1568 C ASN A 97 2.973 -3.290 -9.283 1.00 0.00 C ATOM 1569 O ASN A 97 3.263 -4.459 -9.533 1.00 0.00 O ATOM 1570 CB ASN A 97 1.030 -1.902 -10.030 1.00 0.00 C ATOM 1571 CG ASN A 97 -0.424 -1.524 -9.829 1.00 0.00 C ATOM 1572 OD1 ASN A 97 -0.742 -0.373 -9.530 1.00 0.00 O ATOM 1573 ND2 ASN A 97 -1.316 -2.494 -9.993 1.00 0.00 N ATOM 0 H ASN A 97 0.847 -1.455 -7.605 1.00 0.00 H new ATOM 0 HA ASN A 97 0.920 -3.795 -9.001 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.644 -1.002 -9.998 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.155 -2.338 -11.021 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.310 -2.299 -9.871 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.007 -3.434 -10.241 1.00 0.00 H new ATOM 1580 N GLU A 98 3.870 -2.310 -9.270 1.00 0.00 N ATOM 1581 CA GLU A 98 5.281 -2.557 -9.556 1.00 0.00 C ATOM 1582 C GLU A 98 5.875 -3.594 -8.602 1.00 0.00 C ATOM 1583 O GLU A 98 6.902 -4.203 -8.899 1.00 0.00 O ATOM 1584 CB GLU A 98 6.073 -1.249 -9.464 1.00 0.00 C ATOM 1585 CG GLU A 98 7.573 -1.425 -9.652 1.00 0.00 C ATOM 1586 CD GLU A 98 8.170 -0.393 -10.589 1.00 0.00 C ATOM 1587 OE1 GLU A 98 7.656 -0.249 -11.719 1.00 0.00 O ATOM 1588 OE2 GLU A 98 9.150 0.271 -10.194 1.00 0.00 O ATOM 0 H GLU A 98 3.646 -1.336 -9.065 1.00 0.00 H new ATOM 0 HA GLU A 98 5.351 -2.954 -10.569 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.701 -0.556 -10.218 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.889 -0.791 -8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.067 -1.358 -8.683 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.771 -2.423 -10.043 1.00 0.00 H new ATOM 1595 N LEU A 99 5.230 -3.788 -7.455 1.00 0.00 N ATOM 1596 CA LEU A 99 5.709 -4.747 -6.465 1.00 0.00 C ATOM 1597 C LEU A 99 5.097 -6.129 -6.683 1.00 0.00 C ATOM 1598 O LEU A 99 5.810 -7.107 -6.906 1.00 0.00 O ATOM 1599 CB LEU A 99 5.384 -4.253 -5.057 1.00 0.00 C ATOM 1600 CG LEU A 99 6.200 -4.909 -3.944 1.00 0.00 C ATOM 1601 CD1 LEU A 99 6.648 -3.873 -2.927 1.00 0.00 C ATOM 1602 CD2 LEU A 99 5.395 -6.010 -3.272 1.00 0.00 C ATOM 0 H LEU A 99 4.377 -3.296 -7.189 1.00 0.00 H new ATOM 0 HA LEU A 99 6.789 -4.834 -6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.544 -3.176 -5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.325 -4.425 -4.862 1.00 0.00 H new ATOM 0 HG LEU A 99 7.089 -5.357 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.227 -4.360 -2.143 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.265 -3.122 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.774 -3.393 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.991 -6.466 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.487 -5.587 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.129 -6.768 -4.009 1.00 0.00 H new ATOM 1614 N TYR A 100 3.774 -6.201 -6.604 1.00 0.00 N ATOM 1615 CA TYR A 100 3.058 -7.461 -6.778 1.00 0.00 C ATOM 1616 C TYR A 100 3.304 -8.067 -8.160 1.00 0.00 C ATOM 1617 O TYR A 100 3.062 -9.254 -8.374 1.00 0.00 O ATOM 1618 CB TYR A 100 1.558 -7.246 -6.567 1.00 0.00 C ATOM 1619 CG TYR A 100 1.151 -7.092 -5.115 1.00 0.00 C ATOM 1620 CD1 TYR A 100 2.049 -6.629 -4.157 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -0.138 -7.409 -4.702 1.00 0.00 C ATOM 1622 CE1 TYR A 100 1.674 -6.489 -2.834 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -0.520 -7.269 -3.381 1.00 0.00 C ATOM 1624 CZ TYR A 100 0.389 -6.809 -2.452 1.00 0.00 C ATOM 1625 OH TYR A 100 0.011 -6.670 -1.136 1.00 0.00 O ATOM 0 H TYR A 100 3.172 -5.398 -6.420 1.00 0.00 H new ATOM 0 HA TYR A 100 3.437 -8.161 -6.033 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.249 -6.356 -7.116 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.017 -8.089 -6.997 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.056 -6.375 -4.453 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.853 -7.771 -5.426 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.384 -6.131 -2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.526 -7.519 -3.078 1.00 0.00 H new ATOM 0 HH TYR A 100 0.523 -5.943 -0.724 1.00 0.00 H new ATOM 1635 N ASN A 101 3.779 -7.251 -9.097 1.00 0.00 N ATOM 1636 CA ASN A 101 4.043 -7.723 -10.453 1.00 0.00 C ATOM 1637 C ASN A 101 5.512 -8.102 -10.628 1.00 0.00 C ATOM 1638 O ASN A 101 6.223 -7.515 -11.443 1.00 0.00 O ATOM 1639 CB ASN A 101 3.650 -6.654 -11.474 1.00 0.00 C ATOM 1640 CG ASN A 101 3.102 -7.253 -12.755 1.00 0.00 C ATOM 1641 OD1 ASN A 101 3.720 -8.130 -13.358 1.00 0.00 O ATOM 1642 ND2 ASN A 101 1.935 -6.780 -13.176 1.00 0.00 N ATOM 0 H ASN A 101 3.988 -6.265 -8.944 1.00 0.00 H new ATOM 0 HA ASN A 101 3.439 -8.615 -10.622 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.902 -5.994 -11.035 1.00 0.00 H new ATOM 0 HB3 ASN A 101 4.520 -6.040 -11.706 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.516 -7.144 -14.032 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.458 -6.052 -12.644 1.00 0.00 H new ATOM 1649 N ASP A 102 5.957 -9.092 -9.861 1.00 0.00 N ATOM 1650 CA ASP A 102 7.338 -9.558 -9.934 1.00 0.00 C ATOM 1651 C ASP A 102 7.394 -11.008 -10.405 1.00 0.00 C ATOM 1652 O ASP A 102 6.571 -11.831 -10.006 1.00 0.00 O ATOM 1653 CB ASP A 102 8.019 -9.424 -8.570 1.00 0.00 C ATOM 1654 CG ASP A 102 8.699 -8.082 -8.393 1.00 0.00 C ATOM 1655 OD1 ASP A 102 9.741 -7.854 -9.042 1.00 0.00 O ATOM 1656 OD2 ASP A 102 8.190 -7.258 -7.605 1.00 0.00 O ATOM 0 H ASP A 102 5.381 -9.588 -9.181 1.00 0.00 H new ATOM 0 HA ASP A 102 7.868 -8.937 -10.656 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.278 -9.559 -7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.755 -10.219 -8.455 1.00 0.00 H new ATOM 1661 N ARG A 103 8.366 -11.314 -11.260 1.00 0.00 N ATOM 1662 CA ARG A 103 8.521 -12.667 -11.786 1.00 0.00 C ATOM 1663 C ARG A 103 9.889 -13.243 -11.431 1.00 0.00 C ATOM 1664 O ARG A 103 9.988 -14.357 -10.916 1.00 0.00 O ATOM 1665 CB ARG A 103 8.332 -12.670 -13.305 1.00 0.00 C ATOM 1666 CG ARG A 103 9.063 -11.541 -14.013 1.00 0.00 C ATOM 1667 CD ARG A 103 8.671 -11.453 -15.480 1.00 0.00 C ATOM 1668 NE ARG A 103 9.781 -11.805 -16.365 1.00 0.00 N ATOM 1669 CZ ARG A 103 9.775 -11.600 -17.679 1.00 0.00 C ATOM 1670 NH1 ARG A 103 8.720 -11.049 -18.268 1.00 0.00 N ATOM 1671 NH2 ARG A 103 10.826 -11.949 -18.409 1.00 0.00 N ATOM 0 H ARG A 103 9.056 -10.646 -11.603 1.00 0.00 H new ATOM 0 HA ARG A 103 7.757 -13.295 -11.328 1.00 0.00 H new ATOM 0 HB2 ARG A 103 8.680 -13.623 -13.704 1.00 0.00 H new ATOM 0 HB3 ARG A 103 7.268 -12.600 -13.530 1.00 0.00 H new ATOM 0 HG2 ARG A 103 8.839 -10.596 -13.519 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.139 -11.696 -13.932 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.830 -12.119 -15.671 1.00 0.00 H new ATOM 0 HD3 ARG A 103 8.334 -10.441 -15.705 1.00 0.00 H new ATOM 0 HE ARG A 103 10.609 -12.233 -15.950 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.908 -10.780 -17.712 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.722 -10.894 -19.276 1.00 0.00 H new ATOM 0 HH21 ARG A 103 11.638 -12.374 -17.963 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.822 -11.792 -19.417 1.00 0.00 H new ATOM 1685 N PHE A 104 10.941 -12.480 -11.710 1.00 0.00 N ATOM 1686 CA PHE A 104 12.300 -12.922 -11.420 1.00 0.00 C ATOM 1687 C PHE A 104 12.638 -12.715 -9.948 1.00 0.00 C ATOM 1688 O PHE A 104 13.162 -13.613 -9.288 1.00 0.00 O ATOM 1689 CB PHE A 104 13.303 -12.170 -12.297 1.00 0.00 C ATOM 1690 CG PHE A 104 14.406 -13.041 -12.828 1.00 0.00 C ATOM 1691 CD1 PHE A 104 15.361 -13.568 -11.973 1.00 0.00 C ATOM 1692 CD2 PHE A 104 14.486 -13.333 -14.179 1.00 0.00 C ATOM 1693 CE1 PHE A 104 16.376 -14.370 -12.458 1.00 0.00 C ATOM 1694 CE2 PHE A 104 15.499 -14.134 -14.670 1.00 0.00 C ATOM 1695 CZ PHE A 104 16.445 -14.655 -13.808 1.00 0.00 C ATOM 0 H PHE A 104 10.879 -11.555 -12.135 1.00 0.00 H new ATOM 0 HA PHE A 104 12.363 -13.987 -11.642 1.00 0.00 H new ATOM 0 HB2 PHE A 104 12.773 -11.717 -13.135 1.00 0.00 H new ATOM 0 HB3 PHE A 104 13.740 -11.356 -11.719 1.00 0.00 H new ATOM 0 HD1 PHE A 104 15.311 -13.349 -10.917 1.00 0.00 H new ATOM 0 HD2 PHE A 104 13.748 -12.930 -14.857 1.00 0.00 H new ATOM 0 HE1 PHE A 104 17.115 -14.774 -11.782 1.00 0.00 H new ATOM 0 HE2 PHE A 104 15.551 -14.353 -15.726 1.00 0.00 H new ATOM 0 HZ PHE A 104 17.236 -15.284 -14.189 1.00 0.00 H new ATOM 1705 N ASP A 105 12.335 -11.525 -9.439 1.00 0.00 N ATOM 1706 CA ASP A 105 12.608 -11.201 -8.043 1.00 0.00 C ATOM 1707 C ASP A 105 11.342 -10.731 -7.335 1.00 0.00 C ATOM 1708 O ASP A 105 10.879 -9.611 -7.548 1.00 0.00 O ATOM 1709 CB ASP A 105 13.688 -10.121 -7.951 1.00 0.00 C ATOM 1710 CG ASP A 105 15.052 -10.630 -8.376 1.00 0.00 C ATOM 1711 OD1 ASP A 105 15.685 -11.361 -7.585 1.00 0.00 O ATOM 1712 OD2 ASP A 105 15.487 -10.296 -9.498 1.00 0.00 O ATOM 0 H ASP A 105 11.901 -10.770 -9.971 1.00 0.00 H new ATOM 0 HA ASP A 105 12.964 -12.105 -7.549 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.407 -9.275 -8.579 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.744 -9.753 -6.927 1.00 0.00 H new ATOM 1717 N SER A 106 10.791 -11.594 -6.490 1.00 0.00 N ATOM 1718 CA SER A 106 9.580 -11.268 -5.746 1.00 0.00 C ATOM 1719 C SER A 106 9.893 -11.061 -4.267 1.00 0.00 C ATOM 1720 O SER A 106 9.050 -11.296 -3.405 1.00 0.00 O ATOM 1721 CB SER A 106 8.541 -12.377 -5.906 1.00 0.00 C ATOM 1722 OG SER A 106 9.158 -13.650 -5.975 1.00 0.00 O ATOM 0 H SER A 106 11.163 -12.525 -6.303 1.00 0.00 H new ATOM 0 HA SER A 106 9.175 -10.340 -6.150 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.846 -12.352 -5.067 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.956 -12.204 -6.809 1.00 0.00 H new ATOM 0 HG SER A 106 9.250 -14.018 -5.072 1.00 0.00 H new ATOM 1728 N ARG A 107 11.113 -10.619 -3.985 1.00 0.00 N ATOM 1729 CA ARG A 107 11.548 -10.379 -2.613 1.00 0.00 C ATOM 1730 C ARG A 107 10.610 -9.409 -1.898 1.00 0.00 C ATOM 1731 O ARG A 107 10.276 -9.599 -0.729 1.00 0.00 O ATOM 1732 CB ARG A 107 12.969 -9.814 -2.610 1.00 0.00 C ATOM 1733 CG ARG A 107 13.107 -8.523 -3.402 1.00 0.00 C ATOM 1734 CD ARG A 107 14.499 -8.380 -3.997 1.00 0.00 C ATOM 1735 NE ARG A 107 15.528 -8.308 -2.964 1.00 0.00 N ATOM 1736 CZ ARG A 107 16.746 -7.808 -3.163 1.00 0.00 C ATOM 1737 NH1 ARG A 107 17.094 -7.344 -4.358 1.00 0.00 N ATOM 1738 NH2 ARG A 107 17.620 -7.774 -2.167 1.00 0.00 N ATOM 0 H ARG A 107 11.821 -10.419 -4.691 1.00 0.00 H new ATOM 0 HA ARG A 107 11.529 -11.330 -2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 107 13.279 -9.635 -1.580 1.00 0.00 H new ATOM 0 HB3 ARG A 107 13.649 -10.559 -3.022 1.00 0.00 H new ATOM 0 HG2 ARG A 107 12.365 -8.504 -4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 107 12.899 -7.673 -2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.702 -9.226 -4.653 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.540 -7.482 -4.613 1.00 0.00 H new ATOM 0 HE ARG A 107 15.300 -8.662 -2.035 1.00 0.00 H new ATOM 0 HH11 ARG A 107 16.427 -7.370 -5.129 1.00 0.00 H new ATOM 0 HH12 ARG A 107 18.028 -6.962 -4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 107 17.360 -8.131 -1.248 1.00 0.00 H new ATOM 0 HH22 ARG A 107 18.553 -7.391 -2.320 1.00 0.00 H new ATOM 1752 N TRP A 108 10.205 -8.365 -2.608 1.00 0.00 N ATOM 1753 CA TRP A 108 9.321 -7.348 -2.049 1.00 0.00 C ATOM 1754 C TRP A 108 7.935 -7.908 -1.734 1.00 0.00 C ATOM 1755 O TRP A 108 7.329 -7.544 -0.726 1.00 0.00 O ATOM 1756 CB TRP A 108 9.204 -6.172 -3.020 1.00 0.00 C ATOM 1757 CG TRP A 108 10.534 -5.676 -3.498 1.00 0.00 C ATOM 1758 CD1 TRP A 108 11.248 -6.140 -4.564 1.00 0.00 C ATOM 1759 CD2 TRP A 108 11.314 -4.623 -2.921 1.00 0.00 C ATOM 1760 NE1 TRP A 108 12.425 -5.441 -4.685 1.00 0.00 N ATOM 1761 CE2 TRP A 108 12.487 -4.502 -3.688 1.00 0.00 C ATOM 1762 CE3 TRP A 108 11.132 -3.769 -1.829 1.00 0.00 C ATOM 1763 CZ2 TRP A 108 13.473 -3.563 -3.399 1.00 0.00 C ATOM 1764 CZ3 TRP A 108 12.111 -2.836 -1.543 1.00 0.00 C ATOM 1765 CH2 TRP A 108 13.269 -2.740 -2.325 1.00 0.00 C ATOM 0 H TRP A 108 10.476 -8.199 -3.577 1.00 0.00 H new ATOM 0 HA TRP A 108 9.758 -7.007 -1.110 1.00 0.00 H new ATOM 0 HB2 TRP A 108 8.605 -6.475 -3.879 1.00 0.00 H new ATOM 0 HB3 TRP A 108 8.672 -5.356 -2.532 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.934 -6.940 -5.218 1.00 0.00 H new ATOM 0 HE1 TRP A 108 13.136 -5.596 -5.400 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.243 -3.837 -1.220 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.367 -3.487 -4.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 11.981 -2.170 -0.703 1.00 0.00 H new ATOM 0 HH2 TRP A 108 14.016 -2.001 -2.075 1.00 0.00 H new ATOM 1776 N ARG A 109 7.430 -8.787 -2.595 1.00 0.00 N ATOM 1777 CA ARG A 109 6.110 -9.377 -2.387 1.00 0.00 C ATOM 1778 C ARG A 109 6.196 -10.671 -1.581 1.00 0.00 C ATOM 1779 O ARG A 109 5.193 -11.147 -1.050 1.00 0.00 O ATOM 1780 CB ARG A 109 5.423 -9.639 -3.729 1.00 0.00 C ATOM 1781 CG ARG A 109 6.143 -10.651 -4.601 1.00 0.00 C ATOM 1782 CD ARG A 109 5.691 -10.556 -6.050 1.00 0.00 C ATOM 1783 NE ARG A 109 4.272 -10.872 -6.204 1.00 0.00 N ATOM 1784 CZ ARG A 109 3.778 -12.108 -6.151 1.00 0.00 C ATOM 1785 NH1 ARG A 109 4.582 -13.143 -5.945 1.00 0.00 N ATOM 1786 NH2 ARG A 109 2.476 -12.308 -6.304 1.00 0.00 N ATOM 0 H ARG A 109 7.910 -9.105 -3.437 1.00 0.00 H new ATOM 0 HA ARG A 109 5.516 -8.663 -1.816 1.00 0.00 H new ATOM 0 HB2 ARG A 109 4.408 -9.990 -3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 109 5.340 -8.698 -4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.219 -10.484 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 109 5.955 -11.657 -4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 109 5.881 -9.550 -6.423 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.283 -11.239 -6.660 1.00 0.00 H new ATOM 0 HE ARG A 109 3.623 -10.101 -6.361 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.584 -12.995 -5.826 1.00 0.00 H new ATOM 0 HH12 ARG A 109 4.198 -14.087 -5.905 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.853 -11.516 -6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 109 2.097 -13.254 -6.264 1.00 0.00 H new ATOM 1800 N ASP A 110 7.397 -11.237 -1.486 1.00 0.00 N ATOM 1801 CA ASP A 110 7.601 -12.472 -0.737 1.00 0.00 C ATOM 1802 C ASP A 110 7.712 -12.186 0.757 1.00 0.00 C ATOM 1803 O ASP A 110 7.380 -13.031 1.588 1.00 0.00 O ATOM 1804 CB ASP A 110 8.861 -13.188 -1.226 1.00 0.00 C ATOM 1805 CG ASP A 110 8.573 -14.156 -2.356 1.00 0.00 C ATOM 1806 OD1 ASP A 110 8.181 -15.307 -2.068 1.00 0.00 O ATOM 1807 OD2 ASP A 110 8.739 -13.764 -3.530 1.00 0.00 O ATOM 0 H ASP A 110 8.241 -10.860 -1.918 1.00 0.00 H new ATOM 0 HA ASP A 110 6.738 -13.117 -0.904 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.589 -12.449 -1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.314 -13.728 -0.395 1.00 0.00 H new ATOM 1812 N THR A 111 8.182 -10.987 1.091 1.00 0.00 N ATOM 1813 CA THR A 111 8.339 -10.581 2.483 1.00 0.00 C ATOM 1814 C THR A 111 7.048 -10.796 3.269 1.00 0.00 C ATOM 1815 O THR A 111 5.954 -10.538 2.768 1.00 0.00 O ATOM 1816 CB THR A 111 8.757 -9.109 2.557 1.00 0.00 C ATOM 1817 OG1 THR A 111 8.980 -8.582 1.260 1.00 0.00 O ATOM 1818 CG2 THR A 111 10.016 -8.887 3.364 1.00 0.00 C ATOM 0 H THR A 111 8.461 -10.278 0.413 1.00 0.00 H new ATOM 0 HA THR A 111 9.117 -11.200 2.930 1.00 0.00 H new ATOM 0 HB THR A 111 7.930 -8.599 3.052 1.00 0.00 H new ATOM 0 HG1 THR A 111 9.759 -9.020 0.858 1.00 0.00 H new ATOM 0 HG21 THR A 111 10.257 -7.824 3.377 1.00 0.00 H new ATOM 0 HG22 THR A 111 9.860 -9.236 4.385 1.00 0.00 H new ATOM 0 HG23 THR A 111 10.840 -9.440 2.913 1.00 0.00 H new ATOM 1826 N LYS A 112 7.186 -11.268 4.504 1.00 0.00 N ATOM 1827 CA LYS A 112 6.032 -11.515 5.360 1.00 0.00 C ATOM 1828 C LYS A 112 5.245 -10.228 5.591 1.00 0.00 C ATOM 1829 O LYS A 112 4.023 -10.254 5.738 1.00 0.00 O ATOM 1830 CB LYS A 112 6.481 -12.104 6.700 1.00 0.00 C ATOM 1831 CG LYS A 112 6.184 -13.587 6.842 1.00 0.00 C ATOM 1832 CD LYS A 112 4.840 -13.825 7.512 1.00 0.00 C ATOM 1833 CE LYS A 112 3.712 -13.883 6.494 1.00 0.00 C ATOM 1834 NZ LYS A 112 2.378 -13.720 7.134 1.00 0.00 N ATOM 0 H LYS A 112 8.085 -11.487 4.934 1.00 0.00 H new ATOM 0 HA LYS A 112 5.382 -12.232 4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.553 -11.944 6.817 1.00 0.00 H new ATOM 0 HB3 LYS A 112 5.988 -11.564 7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.189 -14.056 5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.972 -14.063 7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.873 -14.758 8.074 1.00 0.00 H new ATOM 0 HD3 LYS A 112 4.644 -13.028 8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.855 -13.101 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.748 -14.836 5.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.636 -13.765 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.230 -14.481 7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.334 -12.799 7.616 1.00 0.00 H new ATOM 1848 N ILE A 113 5.955 -9.106 5.622 1.00 0.00 N ATOM 1849 CA ILE A 113 5.326 -7.809 5.835 1.00 0.00 C ATOM 1850 C ILE A 113 4.394 -7.458 4.680 1.00 0.00 C ATOM 1851 O ILE A 113 3.335 -6.863 4.882 1.00 0.00 O ATOM 1852 CB ILE A 113 6.377 -6.692 5.990 1.00 0.00 C ATOM 1853 CG1 ILE A 113 7.285 -6.640 4.763 1.00 0.00 C ATOM 1854 CG2 ILE A 113 7.203 -6.908 7.249 1.00 0.00 C ATOM 1855 CD1 ILE A 113 8.304 -5.522 4.815 1.00 0.00 C ATOM 0 H ILE A 113 6.967 -9.069 5.502 1.00 0.00 H new ATOM 0 HA ILE A 113 4.749 -7.883 6.757 1.00 0.00 H new ATOM 0 HB ILE A 113 5.855 -5.739 6.077 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.806 -7.592 4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.671 -6.520 3.871 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.940 -6.110 7.342 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.548 -6.900 8.120 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.714 -7.869 7.188 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.915 -5.544 3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.789 -4.563 4.881 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.943 -5.652 5.689 1.00 0.00 H new ATOM 1867 N ALA A 114 4.793 -7.833 3.470 1.00 0.00 N ATOM 1868 CA ALA A 114 3.992 -7.560 2.284 1.00 0.00 C ATOM 1869 C ALA A 114 2.701 -8.370 2.302 1.00 0.00 C ATOM 1870 O ALA A 114 1.629 -7.857 1.983 1.00 0.00 O ATOM 1871 CB ALA A 114 4.792 -7.865 1.026 1.00 0.00 C ATOM 0 H ALA A 114 5.666 -8.327 3.285 1.00 0.00 H new ATOM 0 HA ALA A 114 3.729 -6.502 2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.182 -7.657 0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.686 -7.242 1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.082 -8.916 1.025 1.00 0.00 H new ATOM 1877 N GLN A 115 2.813 -9.639 2.681 1.00 0.00 N ATOM 1878 CA GLN A 115 1.655 -10.524 2.744 1.00 0.00 C ATOM 1879 C GLN A 115 0.676 -10.065 3.819 1.00 0.00 C ATOM 1880 O GLN A 115 -0.540 -10.135 3.634 1.00 0.00 O ATOM 1881 CB GLN A 115 2.100 -11.961 3.022 1.00 0.00 C ATOM 1882 CG GLN A 115 3.181 -12.456 2.073 1.00 0.00 C ATOM 1883 CD GLN A 115 2.610 -13.109 0.829 1.00 0.00 C ATOM 1884 OE1 GLN A 115 2.344 -14.312 0.813 1.00 0.00 O ATOM 1885 NE2 GLN A 115 2.420 -12.319 -0.221 1.00 0.00 N ATOM 0 H GLN A 115 3.694 -10.078 2.949 1.00 0.00 H new ATOM 0 HA GLN A 115 1.149 -10.488 1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 115 2.468 -12.027 4.046 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.235 -12.621 2.951 1.00 0.00 H new ATOM 0 HG2 GLN A 115 3.814 -11.618 1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 115 3.818 -13.171 2.594 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.655 -11.328 -0.163 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.039 -12.703 -1.086 1.00 0.00 H new ATOM 1894 N ASP A 116 1.210 -9.594 4.942 1.00 0.00 N ATOM 1895 CA ASP A 116 0.376 -9.124 6.043 1.00 0.00 C ATOM 1896 C ASP A 116 -0.160 -7.721 5.766 1.00 0.00 C ATOM 1897 O ASP A 116 -1.151 -7.298 6.360 1.00 0.00 O ATOM 1898 CB ASP A 116 1.173 -9.129 7.350 1.00 0.00 C ATOM 1899 CG ASP A 116 0.277 -9.103 8.573 1.00 0.00 C ATOM 1900 OD1 ASP A 116 -0.913 -9.459 8.445 1.00 0.00 O ATOM 1901 OD2 ASP A 116 0.767 -8.728 9.659 1.00 0.00 O ATOM 0 H ASP A 116 2.213 -9.528 5.113 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.472 -9.803 6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.804 -10.017 7.384 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.837 -8.265 7.371 1.00 0.00 H new ATOM 1906 N PHE A 117 0.505 -7.005 4.861 1.00 0.00 N ATOM 1907 CA PHE A 117 0.102 -5.651 4.505 1.00 0.00 C ATOM 1908 C PHE A 117 -1.375 -5.586 4.124 1.00 0.00 C ATOM 1909 O PHE A 117 -2.107 -4.712 4.588 1.00 0.00 O ATOM 1910 CB PHE A 117 0.957 -5.147 3.344 1.00 0.00 C ATOM 1911 CG PHE A 117 0.831 -3.673 3.109 1.00 0.00 C ATOM 1912 CD1 PHE A 117 1.107 -2.777 4.125 1.00 0.00 C ATOM 1913 CD2 PHE A 117 0.435 -3.187 1.876 1.00 0.00 C ATOM 1914 CE1 PHE A 117 0.990 -1.416 3.916 1.00 0.00 C ATOM 1915 CE2 PHE A 117 0.316 -1.827 1.659 1.00 0.00 C ATOM 1916 CZ PHE A 117 0.594 -0.940 2.681 1.00 0.00 C ATOM 0 H PHE A 117 1.327 -7.344 4.361 1.00 0.00 H new ATOM 0 HA PHE A 117 0.251 -5.016 5.378 1.00 0.00 H new ATOM 0 HB2 PHE A 117 2.002 -5.388 3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.672 -5.678 2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 117 1.417 -3.144 5.092 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.217 -3.877 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.208 -0.725 4.717 1.00 0.00 H new ATOM 0 HE2 PHE A 117 0.006 -1.459 0.692 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.502 0.123 2.515 1.00 0.00 H new ATOM 1926 N LEU A 118 -1.803 -6.508 3.270 1.00 0.00 N ATOM 1927 CA LEU A 118 -3.190 -6.545 2.821 1.00 0.00 C ATOM 1928 C LEU A 118 -3.999 -7.572 3.606 1.00 0.00 C ATOM 1929 O LEU A 118 -4.984 -8.112 3.104 1.00 0.00 O ATOM 1930 CB LEU A 118 -3.251 -6.873 1.324 1.00 0.00 C ATOM 1931 CG LEU A 118 -2.824 -5.748 0.365 1.00 0.00 C ATOM 1932 CD1 LEU A 118 -3.998 -5.310 -0.496 1.00 0.00 C ATOM 1933 CD2 LEU A 118 -2.248 -4.557 1.120 1.00 0.00 C ATOM 0 H LEU A 118 -1.211 -7.239 2.875 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.625 -5.561 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.619 -7.741 1.137 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.272 -7.164 1.078 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.040 -6.144 -0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -3.679 -4.514 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -4.356 -6.157 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.802 -4.945 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.957 -3.782 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -3.000 -4.161 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -1.374 -4.875 1.688 1.00 0.00 H new ATOM 1945 N GLN A 119 -3.579 -7.842 4.839 1.00 0.00 N ATOM 1946 CA GLN A 119 -4.272 -8.808 5.683 1.00 0.00 C ATOM 1947 C GLN A 119 -4.404 -10.146 4.966 1.00 0.00 C ATOM 1948 O GLN A 119 -5.429 -10.821 5.065 1.00 0.00 O ATOM 1949 CB GLN A 119 -5.657 -8.281 6.068 1.00 0.00 C ATOM 1950 CG GLN A 119 -5.646 -7.360 7.276 1.00 0.00 C ATOM 1951 CD GLN A 119 -5.245 -5.940 6.927 1.00 0.00 C ATOM 1952 OE1 GLN A 119 -4.430 -5.715 6.033 1.00 0.00 O ATOM 1953 NE2 GLN A 119 -5.817 -4.972 7.633 1.00 0.00 N ATOM 0 H GLN A 119 -2.765 -7.407 5.274 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.686 -8.954 6.590 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -6.082 -7.746 5.218 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -6.314 -9.127 6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -6.637 -7.352 7.730 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -4.956 -7.755 8.022 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -6.488 -5.203 8.366 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.586 -3.997 7.443 1.00 0.00 H new ATOM 1962 N LEU A 120 -3.359 -10.517 4.235 1.00 0.00 N ATOM 1963 CA LEU A 120 -3.347 -11.768 3.487 1.00 0.00 C ATOM 1964 C LEU A 120 -2.787 -12.909 4.332 1.00 0.00 C ATOM 1965 O LEU A 120 -2.032 -13.747 3.839 1.00 0.00 O ATOM 1966 CB LEU A 120 -2.519 -11.605 2.209 1.00 0.00 C ATOM 1967 CG LEU A 120 -2.628 -10.230 1.540 1.00 0.00 C ATOM 1968 CD1 LEU A 120 -1.417 -9.961 0.662 1.00 0.00 C ATOM 1969 CD2 LEU A 120 -3.911 -10.136 0.729 1.00 0.00 C ATOM 0 H LEU A 120 -2.505 -9.966 4.145 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.375 -12.016 3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.472 -11.796 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.829 -12.367 1.493 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.656 -9.469 2.320 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.515 -8.980 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.513 -9.985 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.353 -10.725 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.974 -9.154 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.912 -10.907 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.768 -10.280 1.386 1.00 0.00 H new