USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 965 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 ASN : amide:sc= 0.0268 K(o=-0.26,f=-4.3!) USER MOD Set 1.2: A 50 SER OG : rot -66:sc= 0.889 USER MOD Set 1.3: A 111 HIS : no HD1:sc= -1.18 K(o=-0.26,f=-4.2) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 18:sc= 0.0109 USER MOD Single : A 36 ASN : amide:sc= -0.021 K(o=-0.021,f=-1.2) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 26:sc= 0.0893 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot 140:sc= -1.4 USER MOD Single : A 60 GLN : amide:sc= -0.0759 K(o=-0.076,f=-1.4) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.18) USER MOD Single : A 72 GLN : amide:sc= -2.9! C(o=-2.9!,f=-4.9!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0779 K(o=-0.078,f=-0.69) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.956 X(o=-0.96,f=-1.1) USER MOD Single : A 95 ASN : amide:sc= -1.7 X(o=-1.7,f=-2) USER MOD Single : A 97 ASN : amide:sc= -0.275 X(o=-0.28,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 114 GLN : amide:sc= -0.672 X(o=-0.67,f=-0.96) USER MOD Single : A 115 SER OG : rot 35:sc= 0.407 USER MOD Single : A 117 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.013) USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 124 ASN :FLIP amide:sc= -0.29 F(o=-2.1!,f=-0.29) USER MOD Single : A 129 SER OG : rot 180:sc= -0.0383 USER MOD Single : A 131 GLN : amide:sc= 0.526 K(o=0.53,f=0) USER MOD ----------------------------------------------------------------- ATOM 132 N ILE A 13 0.390 -13.968 8.126 1.00 0.00 N ATOM 133 CA ILE A 13 1.416 -13.029 7.689 1.00 0.00 C ATOM 134 C ILE A 13 1.497 -11.828 8.624 1.00 0.00 C ATOM 135 O ILE A 13 0.528 -11.093 8.816 1.00 0.00 O ATOM 136 CB ILE A 13 1.151 -12.533 6.255 1.00 0.00 C ATOM 137 CG1 ILE A 13 0.984 -13.720 5.304 1.00 0.00 C ATOM 138 CG2 ILE A 13 2.283 -11.629 5.790 1.00 0.00 C ATOM 139 CD1 ILE A 13 0.084 -13.427 4.124 1.00 0.00 C ATOM 0 HA ILE A 13 2.364 -13.566 7.709 1.00 0.00 H new ATOM 0 HB ILE A 13 0.226 -11.956 6.251 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.965 -14.021 4.936 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.578 -14.566 5.859 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.082 -11.286 4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.358 -10.769 6.455 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.221 -12.183 5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.012 -14.313 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.909 -13.155 4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 13 0.500 -12.602 3.545 1.00 0.00 H new ATOM 151 N PRO A 14 2.681 -11.620 9.220 1.00 0.00 N ATOM 152 CA PRO A 14 2.918 -10.507 10.143 1.00 0.00 C ATOM 153 C PRO A 14 2.927 -9.157 9.434 1.00 0.00 C ATOM 154 O PRO A 14 3.216 -9.074 8.240 1.00 0.00 O ATOM 155 CB PRO A 14 4.300 -10.815 10.724 1.00 0.00 C ATOM 156 CG PRO A 14 4.969 -11.648 9.686 1.00 0.00 C ATOM 157 CD PRO A 14 3.879 -12.456 9.037 1.00 0.00 C ATOM 0 HA PRO A 14 2.133 -10.428 10.895 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.860 -9.901 10.920 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.222 -11.349 11.671 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.480 -11.023 8.954 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.723 -12.297 10.132 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.086 -12.636 7.982 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.765 -13.431 9.511 1.00 0.00 H new ATOM 165 N ASP A 15 2.609 -8.102 10.176 1.00 0.00 N ATOM 166 CA ASP A 15 2.583 -6.755 9.618 1.00 0.00 C ATOM 167 C ASP A 15 3.998 -6.222 9.417 1.00 0.00 C ATOM 168 O ASP A 15 4.907 -6.539 10.185 1.00 0.00 O ATOM 169 CB ASP A 15 1.796 -5.816 10.533 1.00 0.00 C ATOM 170 CG ASP A 15 2.072 -6.073 12.001 1.00 0.00 C ATOM 171 OD1 ASP A 15 3.166 -5.700 12.474 1.00 0.00 O ATOM 172 OD2 ASP A 15 1.193 -6.647 12.678 1.00 0.00 O ATOM 0 H ASP A 15 2.366 -8.154 11.165 1.00 0.00 H new ATOM 0 HA ASP A 15 2.090 -6.800 8.647 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.050 -4.783 10.294 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.730 -5.935 10.340 1.00 0.00 H new ATOM 177 N LEU A 16 4.178 -5.411 8.380 1.00 0.00 N ATOM 178 CA LEU A 16 5.483 -4.834 8.077 1.00 0.00 C ATOM 179 C LEU A 16 5.407 -3.311 8.028 1.00 0.00 C ATOM 180 O LEU A 16 4.328 -2.737 7.886 1.00 0.00 O ATOM 181 CB LEU A 16 6.004 -5.373 6.744 1.00 0.00 C ATOM 182 CG LEU A 16 6.855 -6.641 6.819 1.00 0.00 C ATOM 183 CD1 LEU A 16 5.983 -7.879 6.678 1.00 0.00 C ATOM 184 CD2 LEU A 16 7.935 -6.623 5.747 1.00 0.00 C ATOM 0 H LEU A 16 3.437 -5.138 7.735 1.00 0.00 H new ATOM 0 HA LEU A 16 6.172 -5.120 8.872 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.150 -5.571 6.096 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.594 -4.592 6.265 1.00 0.00 H new ATOM 0 HG LEU A 16 7.340 -6.672 7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.606 -8.771 6.734 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.247 -7.899 7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.469 -7.855 5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.531 -7.533 5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.470 -6.567 4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.579 -5.756 5.894 1.00 0.00 H new ATOM 196 N LYS A 17 6.561 -2.663 8.145 1.00 0.00 N ATOM 197 CA LYS A 17 6.628 -1.207 8.111 1.00 0.00 C ATOM 198 C LYS A 17 7.223 -0.720 6.793 1.00 0.00 C ATOM 199 O LYS A 17 8.142 -1.334 6.252 1.00 0.00 O ATOM 200 CB LYS A 17 7.463 -0.686 9.283 1.00 0.00 C ATOM 201 CG LYS A 17 7.568 0.828 9.329 1.00 0.00 C ATOM 202 CD LYS A 17 8.090 1.310 10.673 1.00 0.00 C ATOM 203 CE LYS A 17 6.957 1.531 11.664 1.00 0.00 C ATOM 204 NZ LYS A 17 7.449 1.568 13.069 1.00 0.00 N ATOM 0 H LYS A 17 7.463 -3.124 8.264 1.00 0.00 H new ATOM 0 HA LYS A 17 5.613 -0.820 8.196 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.025 -1.040 10.216 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.465 -1.110 9.221 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.231 1.172 8.535 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.589 1.268 9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.790 0.578 11.076 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.643 2.239 10.538 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.449 2.467 11.432 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.221 0.734 11.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.647 1.720 13.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.911 0.665 13.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.132 2.344 13.177 1.00 0.00 H new ATOM 218 N VAL A 18 6.694 0.387 6.283 1.00 0.00 N ATOM 219 CA VAL A 18 7.174 0.958 5.031 1.00 0.00 C ATOM 220 C VAL A 18 7.576 2.418 5.210 1.00 0.00 C ATOM 221 O VAL A 18 8.581 2.869 4.659 1.00 0.00 O ATOM 222 CB VAL A 18 6.107 0.863 3.924 1.00 0.00 C ATOM 223 CG1 VAL A 18 5.833 -0.591 3.570 1.00 0.00 C ATOM 224 CG2 VAL A 18 4.829 1.565 4.356 1.00 0.00 C ATOM 0 H VAL A 18 5.932 0.907 6.718 1.00 0.00 H new ATOM 0 HA VAL A 18 8.047 0.378 4.734 1.00 0.00 H new ATOM 0 HB VAL A 18 6.486 1.363 3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 18 5.077 -0.638 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.752 -1.059 3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 18 5.474 -1.119 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.086 1.488 3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.444 1.095 5.261 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.040 2.616 4.555 1.00 0.00 H new ATOM 234 N PHE A 19 6.785 3.152 5.984 1.00 0.00 N ATOM 235 CA PHE A 19 7.057 4.563 6.237 1.00 0.00 C ATOM 236 C PHE A 19 6.731 4.930 7.681 1.00 0.00 C ATOM 237 O PHE A 19 5.700 4.525 8.217 1.00 0.00 O ATOM 238 CB PHE A 19 6.246 5.440 5.280 1.00 0.00 C ATOM 239 CG PHE A 19 6.581 6.901 5.377 1.00 0.00 C ATOM 240 CD1 PHE A 19 7.775 7.386 4.869 1.00 0.00 C ATOM 241 CD2 PHE A 19 5.702 7.788 5.976 1.00 0.00 C ATOM 242 CE1 PHE A 19 8.087 8.730 4.956 1.00 0.00 C ATOM 243 CE2 PHE A 19 6.007 9.133 6.065 1.00 0.00 C ATOM 244 CZ PHE A 19 7.202 9.604 5.556 1.00 0.00 C ATOM 0 H PHE A 19 5.950 2.794 6.448 1.00 0.00 H new ATOM 0 HA PHE A 19 8.119 4.738 6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.417 5.103 4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.184 5.304 5.487 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.470 6.706 4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.768 7.425 6.378 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.021 9.096 4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.312 9.815 6.532 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.444 10.654 5.627 1.00 0.00 H new ATOM 254 N GLU A 20 7.619 5.698 8.305 1.00 0.00 N ATOM 255 CA GLU A 20 7.426 6.118 9.688 1.00 0.00 C ATOM 256 C GLU A 20 7.876 7.563 9.885 1.00 0.00 C ATOM 257 O GLU A 20 9.055 7.883 9.736 1.00 0.00 O ATOM 258 CB GLU A 20 8.198 5.198 10.636 1.00 0.00 C ATOM 259 CG GLU A 20 8.033 5.559 12.103 1.00 0.00 C ATOM 260 CD GLU A 20 8.979 6.659 12.544 1.00 0.00 C ATOM 261 OE1 GLU A 20 10.168 6.607 12.163 1.00 0.00 O ATOM 262 OE2 GLU A 20 8.531 7.572 13.269 1.00 0.00 O ATOM 0 H GLU A 20 8.478 6.041 7.875 1.00 0.00 H new ATOM 0 HA GLU A 20 6.362 6.052 9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.865 4.171 10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.257 5.231 10.379 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.005 5.876 12.282 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.204 4.672 12.713 1.00 0.00 H new ATOM 269 N ARG A 21 6.927 8.431 10.222 1.00 0.00 N ATOM 270 CA ARG A 21 7.225 9.842 10.438 1.00 0.00 C ATOM 271 C ARG A 21 6.901 10.252 11.872 1.00 0.00 C ATOM 272 O ARG A 21 6.028 9.668 12.512 1.00 0.00 O ATOM 273 CB ARG A 21 6.432 10.708 9.457 1.00 0.00 C ATOM 274 CG ARG A 21 7.124 12.014 9.102 1.00 0.00 C ATOM 275 CD ARG A 21 6.172 12.980 8.415 1.00 0.00 C ATOM 276 NE ARG A 21 5.460 13.821 9.374 1.00 0.00 N ATOM 277 CZ ARG A 21 6.056 14.728 10.140 1.00 0.00 C ATOM 278 NH1 ARG A 21 7.367 14.910 10.061 1.00 0.00 N ATOM 279 NH2 ARG A 21 5.340 15.455 10.989 1.00 0.00 N ATOM 0 H ARG A 21 5.946 8.182 10.351 1.00 0.00 H new ATOM 0 HA ARG A 21 8.291 9.994 10.267 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.256 10.140 8.544 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.455 10.929 9.888 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.521 12.474 10.007 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.973 11.811 8.449 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.732 13.611 7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.452 12.418 7.821 1.00 0.00 H new ATOM 0 HE ARG A 21 4.450 13.706 9.460 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.921 14.353 9.411 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.822 15.607 10.651 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.331 15.317 11.054 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.798 16.151 11.577 1.00 0.00 H new ATOM 293 N GLU A 22 7.611 11.261 12.368 1.00 0.00 N ATOM 294 CA GLU A 22 7.399 11.748 13.726 1.00 0.00 C ATOM 295 C GLU A 22 5.917 11.997 13.990 1.00 0.00 C ATOM 296 O GLU A 22 5.486 12.082 15.139 1.00 0.00 O ATOM 297 CB GLU A 22 8.193 13.035 13.959 1.00 0.00 C ATOM 298 CG GLU A 22 8.194 13.975 12.766 1.00 0.00 C ATOM 299 CD GLU A 22 8.444 15.418 13.159 1.00 0.00 C ATOM 300 OE1 GLU A 22 7.803 15.888 14.122 1.00 0.00 O ATOM 301 OE2 GLU A 22 9.279 16.076 12.505 1.00 0.00 O ATOM 0 H GLU A 22 8.337 11.756 11.850 1.00 0.00 H new ATOM 0 HA GLU A 22 7.750 10.982 14.418 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.778 13.557 14.821 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.222 12.777 14.208 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.960 13.657 12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.236 13.904 12.251 1.00 0.00 H new ATOM 308 N GLY A 23 5.142 12.113 12.916 1.00 0.00 N ATOM 309 CA GLY A 23 3.717 12.352 13.052 1.00 0.00 C ATOM 310 C GLY A 23 2.883 11.289 12.365 1.00 0.00 C ATOM 311 O GLY A 23 2.011 10.677 12.984 1.00 0.00 O ATOM 0 H GLY A 23 5.475 12.046 11.954 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.457 12.386 14.110 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.474 13.328 12.632 1.00 0.00 H new ATOM 315 N VAL A 24 3.148 11.068 11.082 1.00 0.00 N ATOM 316 CA VAL A 24 2.415 10.072 10.310 1.00 0.00 C ATOM 317 C VAL A 24 3.093 8.708 10.387 1.00 0.00 C ATOM 318 O VAL A 24 4.302 8.617 10.602 1.00 0.00 O ATOM 319 CB VAL A 24 2.290 10.487 8.832 1.00 0.00 C ATOM 320 CG1 VAL A 24 1.411 9.505 8.073 1.00 0.00 C ATOM 321 CG2 VAL A 24 1.742 11.902 8.721 1.00 0.00 C ATOM 0 H VAL A 24 3.865 11.566 10.555 1.00 0.00 H new ATOM 0 HA VAL A 24 1.419 10.005 10.747 1.00 0.00 H new ATOM 0 HB VAL A 24 3.283 10.470 8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.335 9.815 7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.850 8.509 8.124 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.417 9.486 8.520 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.660 12.179 7.670 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.757 11.948 9.186 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.415 12.594 9.227 1.00 0.00 H new ATOM 331 N GLN A 25 2.307 7.652 10.211 1.00 0.00 N ATOM 332 CA GLN A 25 2.832 6.292 10.261 1.00 0.00 C ATOM 333 C GLN A 25 2.091 5.386 9.284 1.00 0.00 C ATOM 334 O GLN A 25 0.874 5.218 9.376 1.00 0.00 O ATOM 335 CB GLN A 25 2.720 5.732 11.680 1.00 0.00 C ATOM 336 CG GLN A 25 3.910 6.071 12.564 1.00 0.00 C ATOM 337 CD GLN A 25 3.557 6.082 14.038 1.00 0.00 C ATOM 338 OE1 GLN A 25 2.880 5.180 14.533 1.00 0.00 O ATOM 339 NE2 GLN A 25 4.016 7.105 14.749 1.00 0.00 N ATOM 0 H GLN A 25 1.304 7.711 10.033 1.00 0.00 H new ATOM 0 HA GLN A 25 3.883 6.324 9.972 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.812 6.118 12.143 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.615 4.648 11.627 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.705 5.346 12.390 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.302 7.048 12.281 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.573 7.830 14.298 1.00 0.00 H new ATOM 0 HE22 GLN A 25 3.811 7.166 15.746 1.00 0.00 H new ATOM 348 N LEU A 26 2.832 4.803 8.347 1.00 0.00 N ATOM 349 CA LEU A 26 2.245 3.913 7.351 1.00 0.00 C ATOM 350 C LEU A 26 2.637 2.464 7.618 1.00 0.00 C ATOM 351 O LEU A 26 3.810 2.155 7.823 1.00 0.00 O ATOM 352 CB LEU A 26 2.690 4.324 5.947 1.00 0.00 C ATOM 353 CG LEU A 26 1.783 3.879 4.799 1.00 0.00 C ATOM 354 CD1 LEU A 26 0.490 4.681 4.798 1.00 0.00 C ATOM 355 CD2 LEU A 26 2.501 4.022 3.465 1.00 0.00 C ATOM 0 H LEU A 26 3.840 4.931 8.256 1.00 0.00 H new ATOM 0 HA LEU A 26 1.160 3.995 7.420 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.774 5.410 5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.688 3.923 5.772 1.00 0.00 H new ATOM 0 HG LEU A 26 1.535 2.828 4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.143 4.350 3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.034 4.528 5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.719 5.740 4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.840 3.701 2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.780 5.065 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.398 3.403 3.467 1.00 0.00 H new ATOM 367 N ASN A 27 1.647 1.577 7.612 1.00 0.00 N ATOM 368 CA ASN A 27 1.888 0.159 7.852 1.00 0.00 C ATOM 369 C ASN A 27 1.442 -0.678 6.657 1.00 0.00 C ATOM 370 O ASN A 27 0.629 -0.237 5.844 1.00 0.00 O ATOM 371 CB ASN A 27 1.153 -0.299 9.113 1.00 0.00 C ATOM 372 CG ASN A 27 1.663 0.392 10.362 1.00 0.00 C ATOM 373 OD1 ASN A 27 2.660 -0.025 10.952 1.00 0.00 O ATOM 374 ND2 ASN A 27 0.979 1.454 10.773 1.00 0.00 N ATOM 0 H ASN A 27 0.670 1.816 7.443 1.00 0.00 H new ATOM 0 HA ASN A 27 2.959 0.017 7.993 1.00 0.00 H new ATOM 0 HB2 ASN A 27 0.087 -0.101 9.001 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.267 -1.377 9.225 1.00 0.00 H new ATOM 0 HD21 ASN A 27 1.275 1.959 11.609 1.00 0.00 H new ATOM 0 HD22 ASN A 27 0.158 1.765 10.253 1.00 0.00 H new ATOM 381 N LEU A 28 1.980 -1.889 6.556 1.00 0.00 N ATOM 382 CA LEU A 28 1.637 -2.790 5.461 1.00 0.00 C ATOM 383 C LEU A 28 0.891 -4.016 5.978 1.00 0.00 C ATOM 384 O LEU A 28 1.175 -4.515 7.067 1.00 0.00 O ATOM 385 CB LEU A 28 2.902 -3.225 4.718 1.00 0.00 C ATOM 386 CG LEU A 28 2.728 -3.556 3.235 1.00 0.00 C ATOM 387 CD1 LEU A 28 4.072 -3.546 2.525 1.00 0.00 C ATOM 388 CD2 LEU A 28 2.044 -4.905 3.067 1.00 0.00 C ATOM 0 H LEU A 28 2.655 -2.269 7.219 1.00 0.00 H new ATOM 0 HA LEU A 28 0.984 -2.254 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.644 -2.431 4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.311 -4.102 5.220 1.00 0.00 H new ATOM 0 HG LEU A 28 2.096 -2.792 2.783 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.928 -3.784 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.524 -2.558 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.728 -4.289 2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.928 -5.125 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.650 -5.681 3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.063 -4.877 3.541 1.00 0.00 H new ATOM 400 N SER A 29 -0.064 -4.497 5.188 1.00 0.00 N ATOM 401 CA SER A 29 -0.853 -5.663 5.566 1.00 0.00 C ATOM 402 C SER A 29 -1.118 -6.555 4.357 1.00 0.00 C ATOM 403 O SER A 29 -1.553 -6.083 3.306 1.00 0.00 O ATOM 404 CB SER A 29 -2.179 -5.228 6.193 1.00 0.00 C ATOM 405 OG SER A 29 -2.010 -4.885 7.558 1.00 0.00 O ATOM 0 H SER A 29 -0.310 -4.097 4.282 1.00 0.00 H new ATOM 0 HA SER A 29 -0.283 -6.234 6.299 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.580 -4.374 5.647 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.908 -6.033 6.105 1.00 0.00 H new ATOM 0 HG SER A 29 -1.061 -4.717 7.738 1.00 0.00 H new ATOM 411 N PHE A 30 -0.852 -7.848 4.513 1.00 0.00 N ATOM 412 CA PHE A 30 -1.060 -8.807 3.435 1.00 0.00 C ATOM 413 C PHE A 30 -2.266 -9.696 3.723 1.00 0.00 C ATOM 414 O PHE A 30 -2.532 -10.046 4.874 1.00 0.00 O ATOM 415 CB PHE A 30 0.189 -9.669 3.243 1.00 0.00 C ATOM 416 CG PHE A 30 1.450 -8.870 3.078 1.00 0.00 C ATOM 417 CD1 PHE A 30 1.851 -8.433 1.826 1.00 0.00 C ATOM 418 CD2 PHE A 30 2.234 -8.554 4.176 1.00 0.00 C ATOM 419 CE1 PHE A 30 3.011 -7.697 1.672 1.00 0.00 C ATOM 420 CE2 PHE A 30 3.395 -7.819 4.029 1.00 0.00 C ATOM 421 CZ PHE A 30 3.783 -7.389 2.775 1.00 0.00 C ATOM 0 H PHE A 30 -0.492 -8.255 5.376 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.253 -8.249 2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.298 -10.332 4.101 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.052 -10.302 2.366 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.250 -8.670 0.960 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.934 -8.886 5.159 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.313 -7.363 0.690 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.998 -7.581 4.893 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.689 -6.813 2.657 1.00 0.00 H new ATOM 431 N ILE A 31 -2.992 -10.058 2.671 1.00 0.00 N ATOM 432 CA ILE A 31 -4.169 -10.906 2.810 1.00 0.00 C ATOM 433 C ILE A 31 -4.219 -11.963 1.712 1.00 0.00 C ATOM 434 O ILE A 31 -4.163 -11.641 0.525 1.00 0.00 O ATOM 435 CB ILE A 31 -5.467 -10.079 2.771 1.00 0.00 C ATOM 436 CG1 ILE A 31 -5.640 -9.299 4.075 1.00 0.00 C ATOM 437 CG2 ILE A 31 -6.665 -10.984 2.526 1.00 0.00 C ATOM 438 CD1 ILE A 31 -4.962 -7.947 4.065 1.00 0.00 C ATOM 0 H ILE A 31 -2.786 -9.777 1.712 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.090 -11.397 3.780 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.401 -9.366 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.704 -9.161 4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.240 -9.891 4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.575 -10.384 2.501 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.543 -11.499 1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.736 -11.718 3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.126 -7.450 5.021 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.892 -8.078 3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.378 -7.337 3.263 1.00 0.00 H new ATOM 450 N ARG A 32 -4.325 -13.224 2.115 1.00 0.00 N ATOM 451 CA ARG A 32 -4.383 -14.328 1.165 1.00 0.00 C ATOM 452 C ARG A 32 -5.713 -15.068 1.272 1.00 0.00 C ATOM 453 O ARG A 32 -5.923 -15.894 2.161 1.00 0.00 O ATOM 454 CB ARG A 32 -3.226 -15.299 1.408 1.00 0.00 C ATOM 455 CG ARG A 32 -1.879 -14.769 0.945 1.00 0.00 C ATOM 456 CD ARG A 32 -0.960 -15.897 0.500 1.00 0.00 C ATOM 457 NE ARG A 32 -0.820 -16.926 1.527 1.00 0.00 N ATOM 458 CZ ARG A 32 0.035 -16.843 2.540 1.00 0.00 C ATOM 459 NH1 ARG A 32 0.822 -15.783 2.662 1.00 0.00 N ATOM 460 NH2 ARG A 32 0.104 -17.821 3.434 1.00 0.00 N ATOM 0 H ARG A 32 -4.373 -13.507 3.094 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.297 -13.915 0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.171 -15.526 2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.435 -16.236 0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.025 -14.071 0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.408 -14.212 1.755 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.353 -16.346 -0.412 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.022 -15.491 0.258 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.412 -17.754 1.463 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.772 -15.029 1.977 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.478 -15.722 3.441 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.500 -18.638 3.344 1.00 0.00 H new ATOM 0 HH22 ARG A 32 0.761 -17.756 4.211 1.00 0.00 H new ATOM 474 N PRO A 33 -6.634 -14.767 0.345 1.00 0.00 N ATOM 475 CA PRO A 33 -7.960 -15.392 0.314 1.00 0.00 C ATOM 476 C PRO A 33 -7.898 -16.862 -0.085 1.00 0.00 C ATOM 477 O PRO A 33 -7.033 -17.286 -0.852 1.00 0.00 O ATOM 478 CB PRO A 33 -8.709 -14.581 -0.746 1.00 0.00 C ATOM 479 CG PRO A 33 -7.642 -14.037 -1.631 1.00 0.00 C ATOM 480 CD PRO A 33 -6.453 -13.792 -0.744 1.00 0.00 C ATOM 0 HA PRO A 33 -8.438 -15.383 1.293 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.405 -15.207 -1.304 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.293 -13.780 -0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.397 -14.742 -2.426 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -7.967 -13.114 -2.112 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.515 -13.953 -1.276 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.435 -12.769 -0.369 1.00 0.00 H new ATOM 488 N PRO A 34 -8.836 -17.660 0.446 1.00 0.00 N ATOM 489 CA PRO A 34 -8.910 -19.096 0.159 1.00 0.00 C ATOM 490 C PRO A 34 -9.342 -19.378 -1.276 1.00 0.00 C ATOM 491 O PRO A 34 -8.809 -20.275 -1.929 1.00 0.00 O ATOM 492 CB PRO A 34 -9.965 -19.602 1.145 1.00 0.00 C ATOM 493 CG PRO A 34 -10.815 -18.412 1.433 1.00 0.00 C ATOM 494 CD PRO A 34 -9.898 -17.223 1.368 1.00 0.00 C ATOM 0 HA PRO A 34 -7.941 -19.583 0.265 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.552 -20.413 0.715 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -9.504 -19.989 2.054 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.621 -18.323 0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -11.280 -18.493 2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.414 -16.338 0.996 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.498 -16.970 2.350 1.00 0.00 H new ATOM 502 N GLU A 35 -10.311 -18.607 -1.760 1.00 0.00 N ATOM 503 CA GLU A 35 -10.815 -18.776 -3.118 1.00 0.00 C ATOM 504 C GLU A 35 -9.709 -18.535 -4.142 1.00 0.00 C ATOM 505 O GLU A 35 -9.582 -19.273 -5.118 1.00 0.00 O ATOM 506 CB GLU A 35 -11.981 -17.819 -3.376 1.00 0.00 C ATOM 507 CG GLU A 35 -11.581 -16.353 -3.356 1.00 0.00 C ATOM 508 CD GLU A 35 -12.771 -15.427 -3.196 1.00 0.00 C ATOM 509 OE1 GLU A 35 -13.770 -15.612 -3.922 1.00 0.00 O ATOM 510 OE2 GLU A 35 -12.702 -14.516 -2.344 1.00 0.00 O ATOM 0 H GLU A 35 -10.762 -17.860 -1.232 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.167 -19.802 -3.223 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.425 -18.053 -4.344 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.751 -17.987 -2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.880 -16.182 -2.539 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.058 -16.110 -4.281 1.00 0.00 H new ATOM 517 N ASN A 36 -8.912 -17.497 -3.911 1.00 0.00 N ATOM 518 CA ASN A 36 -7.817 -17.158 -4.813 1.00 0.00 C ATOM 519 C ASN A 36 -6.483 -17.157 -4.073 1.00 0.00 C ATOM 520 O ASN A 36 -6.057 -16.148 -3.511 1.00 0.00 O ATOM 521 CB ASN A 36 -8.061 -15.789 -5.451 1.00 0.00 C ATOM 522 CG ASN A 36 -8.873 -15.883 -6.728 1.00 0.00 C ATOM 523 OD1 ASN A 36 -9.499 -16.906 -7.005 1.00 0.00 O ATOM 524 ND2 ASN A 36 -8.866 -14.812 -7.514 1.00 0.00 N ATOM 0 H ASN A 36 -9.004 -16.876 -3.107 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.776 -17.915 -5.596 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.581 -15.147 -4.740 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.103 -15.316 -5.667 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.394 -14.816 -8.387 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.333 -13.985 -7.245 1.00 0.00 H new ATOM 531 N PRO A 37 -5.806 -18.315 -4.073 1.00 0.00 N ATOM 532 CA PRO A 37 -4.509 -18.473 -3.408 1.00 0.00 C ATOM 533 C PRO A 37 -3.396 -17.709 -4.117 1.00 0.00 C ATOM 534 O PRO A 37 -2.487 -17.182 -3.477 1.00 0.00 O ATOM 535 CB PRO A 37 -4.254 -19.981 -3.482 1.00 0.00 C ATOM 536 CG PRO A 37 -5.036 -20.439 -4.664 1.00 0.00 C ATOM 537 CD PRO A 37 -6.253 -19.558 -4.723 1.00 0.00 C ATOM 0 HA PRO A 37 -4.521 -18.078 -2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.192 -20.198 -3.601 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.582 -20.483 -2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.448 -20.354 -5.578 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.318 -21.487 -4.563 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.572 -19.382 -5.750 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.098 -20.004 -4.199 1.00 0.00 H new ATOM 545 N ALA A 38 -3.475 -17.653 -5.442 1.00 0.00 N ATOM 546 CA ALA A 38 -2.475 -16.951 -6.238 1.00 0.00 C ATOM 547 C ALA A 38 -2.687 -15.442 -6.177 1.00 0.00 C ATOM 548 O ALA A 38 -1.904 -14.673 -6.736 1.00 0.00 O ATOM 549 CB ALA A 38 -2.515 -17.435 -7.680 1.00 0.00 C ATOM 0 H ALA A 38 -4.221 -18.085 -5.987 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.492 -17.170 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.764 -16.903 -8.263 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.308 -18.505 -7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.502 -17.245 -8.100 1.00 0.00 H new ATOM 555 N LEU A 39 -3.749 -15.025 -5.497 1.00 0.00 N ATOM 556 CA LEU A 39 -4.063 -13.607 -5.364 1.00 0.00 C ATOM 557 C LEU A 39 -3.508 -13.046 -4.059 1.00 0.00 C ATOM 558 O LEU A 39 -3.654 -13.653 -2.998 1.00 0.00 O ATOM 559 CB LEU A 39 -5.577 -13.393 -5.422 1.00 0.00 C ATOM 560 CG LEU A 39 -6.053 -11.942 -5.341 1.00 0.00 C ATOM 561 CD1 LEU A 39 -5.857 -11.240 -6.676 1.00 0.00 C ATOM 562 CD2 LEU A 39 -7.512 -11.882 -4.914 1.00 0.00 C ATOM 0 H LEU A 39 -4.407 -15.648 -5.029 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.595 -13.077 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.950 -13.825 -6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.034 -13.951 -4.605 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.454 -11.425 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.201 -10.209 -6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.800 -11.251 -6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.429 -11.757 -7.446 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.833 -10.842 -4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.126 -12.415 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.624 -12.346 -3.934 1.00 0.00 H new ATOM 574 N LEU A 40 -2.872 -11.883 -4.145 1.00 0.00 N ATOM 575 CA LEU A 40 -2.296 -11.237 -2.970 1.00 0.00 C ATOM 576 C LEU A 40 -2.924 -9.866 -2.739 1.00 0.00 C ATOM 577 O LEU A 40 -2.614 -8.903 -3.442 1.00 0.00 O ATOM 578 CB LEU A 40 -0.782 -11.097 -3.132 1.00 0.00 C ATOM 579 CG LEU A 40 -0.040 -10.438 -1.968 1.00 0.00 C ATOM 580 CD1 LEU A 40 -0.011 -11.363 -0.762 1.00 0.00 C ATOM 581 CD2 LEU A 40 1.373 -10.055 -2.384 1.00 0.00 C ATOM 0 H LEU A 40 -2.742 -11.368 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.506 -11.862 -2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.360 -12.090 -3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.585 -10.520 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.574 -9.529 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.521 -10.877 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.031 -11.586 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.498 -12.290 -1.026 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.886 -9.588 -1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.917 -10.949 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.329 -9.354 -3.218 1.00 0.00 H new ATOM 593 N LEU A 41 -3.805 -9.784 -1.749 1.00 0.00 N ATOM 594 CA LEU A 41 -4.475 -8.530 -1.423 1.00 0.00 C ATOM 595 C LEU A 41 -3.703 -7.761 -0.356 1.00 0.00 C ATOM 596 O LEU A 41 -3.562 -8.225 0.776 1.00 0.00 O ATOM 597 CB LEU A 41 -5.902 -8.801 -0.941 1.00 0.00 C ATOM 598 CG LEU A 41 -6.776 -9.641 -1.873 1.00 0.00 C ATOM 599 CD1 LEU A 41 -8.043 -10.087 -1.158 1.00 0.00 C ATOM 600 CD2 LEU A 41 -7.120 -8.859 -3.132 1.00 0.00 C ATOM 0 H LEU A 41 -4.072 -10.571 -1.158 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.513 -7.922 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.849 -9.303 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.397 -7.844 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.214 -10.529 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.653 -10.684 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.778 -10.686 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.608 -9.211 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.742 -9.473 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.662 -7.953 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.202 -8.590 -3.655 1.00 0.00 H new ATOM 612 N ILE A 42 -3.208 -6.584 -0.723 1.00 0.00 N ATOM 613 CA ILE A 42 -2.454 -5.750 0.204 1.00 0.00 C ATOM 614 C ILE A 42 -3.303 -4.593 0.718 1.00 0.00 C ATOM 615 O ILE A 42 -4.108 -4.023 -0.019 1.00 0.00 O ATOM 616 CB ILE A 42 -1.181 -5.186 -0.454 1.00 0.00 C ATOM 617 CG1 ILE A 42 -0.218 -6.321 -0.809 1.00 0.00 C ATOM 618 CG2 ILE A 42 -0.508 -4.182 0.470 1.00 0.00 C ATOM 619 CD1 ILE A 42 1.012 -5.858 -1.558 1.00 0.00 C ATOM 0 H ILE A 42 -3.316 -6.186 -1.656 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.168 -6.387 1.041 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.462 -4.673 -1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.092 -6.823 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.746 -7.058 -1.414 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.390 -3.792 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.194 -3.361 0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.237 -4.673 1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.649 -6.715 -1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.712 -5.382 -2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.563 -5.143 -0.947 1.00 0.00 H new ATOM 631 N THR A 43 -3.117 -4.248 1.989 1.00 0.00 N ATOM 632 CA THR A 43 -3.865 -3.158 2.602 1.00 0.00 C ATOM 633 C THR A 43 -2.927 -2.123 3.212 1.00 0.00 C ATOM 634 O THR A 43 -1.875 -2.467 3.752 1.00 0.00 O ATOM 635 CB THR A 43 -4.820 -3.676 3.694 1.00 0.00 C ATOM 636 OG1 THR A 43 -5.606 -4.758 3.184 1.00 0.00 O ATOM 637 CG2 THR A 43 -5.736 -2.564 4.184 1.00 0.00 C ATOM 0 H THR A 43 -2.455 -4.708 2.613 1.00 0.00 H new ATOM 0 HA THR A 43 -4.451 -2.692 1.810 1.00 0.00 H new ATOM 0 HB THR A 43 -4.220 -4.027 4.533 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.209 -5.083 3.885 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.401 -2.954 4.955 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.136 -1.754 4.598 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.328 -2.187 3.350 1.00 0.00 H new ATOM 645 N ILE A 44 -3.315 -0.855 3.124 1.00 0.00 N ATOM 646 CA ILE A 44 -2.509 0.230 3.670 1.00 0.00 C ATOM 647 C ILE A 44 -3.229 0.926 4.820 1.00 0.00 C ATOM 648 O ILE A 44 -4.455 1.041 4.820 1.00 0.00 O ATOM 649 CB ILE A 44 -2.162 1.272 2.590 1.00 0.00 C ATOM 650 CG1 ILE A 44 -1.990 0.592 1.230 1.00 0.00 C ATOM 651 CG2 ILE A 44 -0.901 2.031 2.972 1.00 0.00 C ATOM 652 CD1 ILE A 44 -1.466 1.517 0.154 1.00 0.00 C ATOM 0 H ILE A 44 -4.182 -0.554 2.680 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.587 -0.218 4.041 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.983 1.985 2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.307 -0.250 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.950 0.185 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.669 2.764 2.199 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.058 2.543 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.071 1.331 3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.369 0.968 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.160 2.347 0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.491 1.904 0.450 1.00 0.00 H new ATOM 664 N THR A 45 -2.459 1.390 5.799 1.00 0.00 N ATOM 665 CA THR A 45 -3.023 2.075 6.955 1.00 0.00 C ATOM 666 C THR A 45 -2.242 3.344 7.276 1.00 0.00 C ATOM 667 O THR A 45 -1.291 3.319 8.056 1.00 0.00 O ATOM 668 CB THR A 45 -3.033 1.164 8.198 1.00 0.00 C ATOM 669 OG1 THR A 45 -3.810 -0.010 7.938 1.00 0.00 O ATOM 670 CG2 THR A 45 -3.603 1.899 9.402 1.00 0.00 C ATOM 0 H THR A 45 -1.443 1.304 5.814 1.00 0.00 H new ATOM 0 HA THR A 45 -4.049 2.338 6.698 1.00 0.00 H new ATOM 0 HB THR A 45 -2.005 0.877 8.420 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.810 -0.585 8.732 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.600 1.236 10.268 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.993 2.777 9.615 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.625 2.211 9.187 1.00 0.00 H new ATOM 678 N ALA A 46 -2.651 4.454 6.670 1.00 0.00 N ATOM 679 CA ALA A 46 -1.992 5.735 6.893 1.00 0.00 C ATOM 680 C ALA A 46 -2.626 6.482 8.061 1.00 0.00 C ATOM 681 O ALA A 46 -3.772 6.927 7.979 1.00 0.00 O ATOM 682 CB ALA A 46 -2.043 6.582 5.631 1.00 0.00 C ATOM 0 H ALA A 46 -3.436 4.492 6.020 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.949 5.540 7.144 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.547 7.536 5.813 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.536 6.058 4.820 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.082 6.760 5.354 1.00 0.00 H new ATOM 688 N THR A 47 -1.875 6.617 9.150 1.00 0.00 N ATOM 689 CA THR A 47 -2.365 7.309 10.336 1.00 0.00 C ATOM 690 C THR A 47 -1.593 8.601 10.576 1.00 0.00 C ATOM 691 O THR A 47 -0.363 8.602 10.616 1.00 0.00 O ATOM 692 CB THR A 47 -2.259 6.420 11.589 1.00 0.00 C ATOM 693 OG1 THR A 47 -0.926 5.913 11.719 1.00 0.00 O ATOM 694 CG2 THR A 47 -3.242 5.261 11.515 1.00 0.00 C ATOM 0 H THR A 47 -0.925 6.256 9.235 1.00 0.00 H new ATOM 0 HA THR A 47 -3.414 7.544 10.155 1.00 0.00 H new ATOM 0 HB THR A 47 -2.503 7.028 12.460 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.299 6.527 11.283 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.149 4.647 12.411 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.258 5.650 11.446 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.024 4.655 10.636 1.00 0.00 H new ATOM 702 N ASN A 48 -2.323 9.700 10.737 1.00 0.00 N ATOM 703 CA ASN A 48 -1.705 11.000 10.974 1.00 0.00 C ATOM 704 C ASN A 48 -1.995 11.489 12.390 1.00 0.00 C ATOM 705 O ASN A 48 -3.151 11.575 12.804 1.00 0.00 O ATOM 706 CB ASN A 48 -2.212 12.022 9.955 1.00 0.00 C ATOM 707 CG ASN A 48 -1.418 13.314 9.988 1.00 0.00 C ATOM 708 OD1 ASN A 48 -0.377 13.399 10.639 1.00 0.00 O ATOM 709 ND2 ASN A 48 -1.908 14.327 9.284 1.00 0.00 N ATOM 0 H ASN A 48 -3.342 9.717 10.708 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.627 10.889 10.861 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.159 11.591 8.955 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -3.262 12.239 10.153 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.418 15.221 9.268 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.775 14.211 8.759 1.00 0.00 H new ATOM 716 N PHE A 49 -0.937 11.810 13.127 1.00 0.00 N ATOM 717 CA PHE A 49 -1.077 12.291 14.497 1.00 0.00 C ATOM 718 C PHE A 49 -0.319 13.601 14.694 1.00 0.00 C ATOM 719 O PHE A 49 -0.036 14.003 15.822 1.00 0.00 O ATOM 720 CB PHE A 49 -0.567 11.240 15.484 1.00 0.00 C ATOM 721 CG PHE A 49 -1.169 9.879 15.276 1.00 0.00 C ATOM 722 CD1 PHE A 49 -2.509 9.651 15.546 1.00 0.00 C ATOM 723 CD2 PHE A 49 -0.395 8.829 14.809 1.00 0.00 C ATOM 724 CE1 PHE A 49 -3.065 8.401 15.356 1.00 0.00 C ATOM 725 CE2 PHE A 49 -0.946 7.576 14.616 1.00 0.00 C ATOM 726 CZ PHE A 49 -2.283 7.362 14.889 1.00 0.00 C ATOM 0 H PHE A 49 0.027 11.746 12.799 1.00 0.00 H new ATOM 0 HA PHE A 49 -2.135 12.472 14.685 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.517 11.166 15.396 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -0.782 11.572 16.500 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.126 10.460 15.909 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.651 8.991 14.593 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.110 8.236 15.572 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -0.332 6.765 14.252 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.716 6.384 14.738 1.00 0.00 H new ATOM 736 N SER A 50 0.007 14.261 13.587 1.00 0.00 N ATOM 737 CA SER A 50 0.737 15.523 13.637 1.00 0.00 C ATOM 738 C SER A 50 -0.190 16.671 14.023 1.00 0.00 C ATOM 739 O SER A 50 -1.365 16.460 14.322 1.00 0.00 O ATOM 740 CB SER A 50 1.390 15.812 12.284 1.00 0.00 C ATOM 741 OG SER A 50 0.419 15.879 11.253 1.00 0.00 O ATOM 0 H SER A 50 -0.223 13.943 12.645 1.00 0.00 H new ATOM 0 HA SER A 50 1.514 15.436 14.396 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.937 16.753 12.334 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.117 15.033 12.053 1.00 0.00 H new ATOM 0 HG SER A 50 0.009 14.997 11.132 1.00 0.00 H new ATOM 747 N GLU A 51 0.348 17.887 14.013 1.00 0.00 N ATOM 748 CA GLU A 51 -0.431 19.069 14.362 1.00 0.00 C ATOM 749 C GLU A 51 -1.250 19.553 13.170 1.00 0.00 C ATOM 750 O GLU A 51 -2.287 20.195 13.335 1.00 0.00 O ATOM 751 CB GLU A 51 0.492 20.188 14.850 1.00 0.00 C ATOM 752 CG GLU A 51 1.287 19.824 16.092 1.00 0.00 C ATOM 753 CD GLU A 51 1.652 21.036 16.927 1.00 0.00 C ATOM 754 OE1 GLU A 51 0.737 21.651 17.513 1.00 0.00 O ATOM 755 OE2 GLU A 51 2.854 21.369 16.994 1.00 0.00 O ATOM 0 H GLU A 51 1.319 18.079 13.767 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.117 18.797 15.164 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.184 20.451 14.050 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.106 21.075 15.059 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.707 19.130 16.700 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.198 19.304 15.796 1.00 0.00 H new ATOM 762 N GLY A 52 -0.777 19.240 11.967 1.00 0.00 N ATOM 763 CA GLY A 52 -1.477 19.652 10.764 1.00 0.00 C ATOM 764 C GLY A 52 -2.241 18.512 10.120 1.00 0.00 C ATOM 765 O GLY A 52 -1.811 17.360 10.172 1.00 0.00 O ATOM 0 H GLY A 52 0.078 18.709 11.804 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.169 20.458 11.008 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.759 20.054 10.049 1.00 0.00 H new ATOM 769 N ASP A 53 -3.379 18.834 9.514 1.00 0.00 N ATOM 770 CA ASP A 53 -4.206 17.828 8.858 1.00 0.00 C ATOM 771 C ASP A 53 -3.707 17.553 7.443 1.00 0.00 C ATOM 772 O ASP A 53 -3.055 18.398 6.828 1.00 0.00 O ATOM 773 CB ASP A 53 -5.665 18.284 8.818 1.00 0.00 C ATOM 774 CG ASP A 53 -6.287 18.356 10.198 1.00 0.00 C ATOM 775 OD1 ASP A 53 -5.794 19.145 11.031 1.00 0.00 O ATOM 776 OD2 ASP A 53 -7.268 17.624 10.445 1.00 0.00 O ATOM 0 H ASP A 53 -3.749 19.783 9.464 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.138 16.905 9.434 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.723 19.264 8.345 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.241 17.596 8.199 1.00 0.00 H new ATOM 781 N VAL A 54 -4.016 16.366 6.931 1.00 0.00 N ATOM 782 CA VAL A 54 -3.599 15.979 5.589 1.00 0.00 C ATOM 783 C VAL A 54 -4.805 15.738 4.687 1.00 0.00 C ATOM 784 O VAL A 54 -5.820 15.192 5.121 1.00 0.00 O ATOM 785 CB VAL A 54 -2.729 14.709 5.615 1.00 0.00 C ATOM 786 CG1 VAL A 54 -2.647 14.088 4.229 1.00 0.00 C ATOM 787 CG2 VAL A 54 -1.340 15.025 6.149 1.00 0.00 C ATOM 0 H VAL A 54 -4.554 15.655 7.426 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.010 16.805 5.190 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.195 13.985 6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.028 13.192 4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.648 13.823 3.889 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.206 14.804 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.739 14.116 6.160 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.864 15.767 5.508 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.421 15.419 7.162 1.00 0.00 H new ATOM 797 N THR A 55 -4.687 16.147 3.428 1.00 0.00 N ATOM 798 CA THR A 55 -5.766 15.976 2.464 1.00 0.00 C ATOM 799 C THR A 55 -5.226 15.561 1.101 1.00 0.00 C ATOM 800 O THR A 55 -4.020 15.384 0.928 1.00 0.00 O ATOM 801 CB THR A 55 -6.588 17.269 2.306 1.00 0.00 C ATOM 802 OG1 THR A 55 -5.753 18.324 1.815 1.00 0.00 O ATOM 803 CG2 THR A 55 -7.208 17.682 3.633 1.00 0.00 C ATOM 0 H THR A 55 -3.854 16.600 3.052 1.00 0.00 H new ATOM 0 HA THR A 55 -6.412 15.188 2.850 1.00 0.00 H new ATOM 0 HB THR A 55 -7.389 17.079 1.592 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.284 19.142 1.716 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.784 18.598 3.496 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.866 16.889 3.989 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.419 17.855 4.365 1.00 0.00 H new ATOM 811 N HIS A 56 -6.126 15.408 0.134 1.00 0.00 N ATOM 812 CA HIS A 56 -5.738 15.015 -1.216 1.00 0.00 C ATOM 813 C HIS A 56 -4.673 13.923 -1.179 1.00 0.00 C ATOM 814 O HIS A 56 -3.685 13.980 -1.911 1.00 0.00 O ATOM 815 CB HIS A 56 -5.217 16.225 -1.992 1.00 0.00 C ATOM 816 CG HIS A 56 -6.299 17.032 -2.640 1.00 0.00 C ATOM 817 ND1 HIS A 56 -6.789 16.761 -3.900 1.00 0.00 N ATOM 818 CD2 HIS A 56 -6.989 18.108 -2.193 1.00 0.00 C ATOM 819 CE1 HIS A 56 -7.731 17.637 -4.202 1.00 0.00 C ATOM 820 NE2 HIS A 56 -7.872 18.465 -3.182 1.00 0.00 N ATOM 0 H HIS A 56 -7.128 15.550 0.260 1.00 0.00 H new ATOM 0 HA HIS A 56 -6.620 14.621 -1.721 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -4.654 16.866 -1.314 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -4.522 15.883 -2.759 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -6.867 18.595 -1.237 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -8.290 17.671 -5.125 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -8.530 19.243 -3.137 1.00 0.00 H new ATOM 828 N PHE A 57 -4.882 12.929 -0.322 1.00 0.00 N ATOM 829 CA PHE A 57 -3.939 11.824 -0.188 1.00 0.00 C ATOM 830 C PHE A 57 -4.112 10.821 -1.325 1.00 0.00 C ATOM 831 O PHE A 57 -5.212 10.322 -1.563 1.00 0.00 O ATOM 832 CB PHE A 57 -4.129 11.124 1.159 1.00 0.00 C ATOM 833 CG PHE A 57 -3.512 9.755 1.215 1.00 0.00 C ATOM 834 CD1 PHE A 57 -2.233 9.537 0.730 1.00 0.00 C ATOM 835 CD2 PHE A 57 -4.212 8.687 1.753 1.00 0.00 C ATOM 836 CE1 PHE A 57 -1.662 8.279 0.781 1.00 0.00 C ATOM 837 CE2 PHE A 57 -3.646 7.427 1.807 1.00 0.00 C ATOM 838 CZ PHE A 57 -2.371 7.223 1.319 1.00 0.00 C ATOM 0 H PHE A 57 -5.696 12.866 0.290 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.930 12.232 -0.238 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -3.695 11.742 1.945 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.195 11.042 1.370 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.675 10.359 0.307 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -5.211 8.841 2.134 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.663 8.122 0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.201 6.603 2.231 1.00 0.00 H new ATOM 0 HZ PHE A 57 -1.928 6.239 1.358 1.00 0.00 H new ATOM 848 N ILE A 58 -3.019 10.532 -2.022 1.00 0.00 N ATOM 849 CA ILE A 58 -3.049 9.589 -3.133 1.00 0.00 C ATOM 850 C ILE A 58 -1.916 8.574 -3.024 1.00 0.00 C ATOM 851 O ILE A 58 -0.741 8.942 -2.998 1.00 0.00 O ATOM 852 CB ILE A 58 -2.947 10.312 -4.489 1.00 0.00 C ATOM 853 CG1 ILE A 58 -4.216 11.125 -4.755 1.00 0.00 C ATOM 854 CG2 ILE A 58 -2.711 9.309 -5.608 1.00 0.00 C ATOM 855 CD1 ILE A 58 -4.129 11.995 -5.989 1.00 0.00 C ATOM 0 H ILE A 58 -2.101 10.937 -1.837 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.006 9.069 -3.079 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.099 10.996 -4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.059 10.443 -4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.422 11.755 -3.890 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.641 9.836 -6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.782 8.769 -5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.540 8.602 -5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.063 12.542 -6.115 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.307 12.702 -5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.954 11.369 -6.864 1.00 0.00 H new ATOM 867 N CYS A 59 -2.276 7.297 -2.964 1.00 0.00 N ATOM 868 CA CYS A 59 -1.289 6.229 -2.859 1.00 0.00 C ATOM 869 C CYS A 59 -1.194 5.446 -4.165 1.00 0.00 C ATOM 870 O CYS A 59 -2.153 4.798 -4.582 1.00 0.00 O ATOM 871 CB CYS A 59 -1.648 5.285 -1.710 1.00 0.00 C ATOM 872 SG CYS A 59 -0.326 4.138 -1.256 1.00 0.00 S ATOM 0 H CYS A 59 -3.244 6.976 -2.986 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.319 6.683 -2.657 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.915 5.879 -0.836 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.532 4.712 -1.988 1.00 0.00 H new ATOM 0 HG CYS A 59 -0.278 4.021 0.038 1.00 0.00 H new ATOM 878 N GLN A 60 -0.032 5.514 -4.806 1.00 0.00 N ATOM 879 CA GLN A 60 0.187 4.814 -6.066 1.00 0.00 C ATOM 880 C GLN A 60 1.177 3.668 -5.887 1.00 0.00 C ATOM 881 O GLN A 60 1.863 3.580 -4.869 1.00 0.00 O ATOM 882 CB GLN A 60 0.701 5.785 -7.130 1.00 0.00 C ATOM 883 CG GLN A 60 -0.242 6.947 -7.400 1.00 0.00 C ATOM 884 CD GLN A 60 -1.250 6.640 -8.490 1.00 0.00 C ATOM 885 OE1 GLN A 60 -1.349 5.506 -8.958 1.00 0.00 O ATOM 886 NE2 GLN A 60 -2.004 7.653 -8.901 1.00 0.00 N ATOM 0 H GLN A 60 0.772 6.046 -4.474 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.767 4.399 -6.392 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.668 6.178 -6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.867 5.239 -8.059 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.772 7.201 -6.482 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.340 7.823 -7.685 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.888 8.577 -8.485 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.699 7.507 -9.633 1.00 0.00 H new ATOM 895 N ALA A 61 1.245 2.791 -6.883 1.00 0.00 N ATOM 896 CA ALA A 61 2.152 1.650 -6.836 1.00 0.00 C ATOM 897 C ALA A 61 2.533 1.194 -8.240 1.00 0.00 C ATOM 898 O ALA A 61 1.988 1.680 -9.230 1.00 0.00 O ATOM 899 CB ALA A 61 1.520 0.505 -6.059 1.00 0.00 C ATOM 0 H ALA A 61 0.683 2.848 -7.732 1.00 0.00 H new ATOM 0 HA ALA A 61 3.063 1.962 -6.324 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.208 -0.340 -6.032 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.305 0.831 -5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.593 0.203 -6.546 1.00 0.00 H new ATOM 905 N ALA A 62 3.473 0.257 -8.318 1.00 0.00 N ATOM 906 CA ALA A 62 3.926 -0.266 -9.601 1.00 0.00 C ATOM 907 C ALA A 62 4.398 -1.710 -9.470 1.00 0.00 C ATOM 908 O ALA A 62 5.216 -2.030 -8.607 1.00 0.00 O ATOM 909 CB ALA A 62 5.038 0.607 -10.164 1.00 0.00 C ATOM 0 H ALA A 62 3.935 -0.155 -7.508 1.00 0.00 H new ATOM 0 HA ALA A 62 3.082 -0.249 -10.291 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.367 0.205 -11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.668 1.622 -10.305 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.878 0.620 -9.469 1.00 0.00 H new ATOM 915 N VAL A 63 3.877 -2.579 -10.330 1.00 0.00 N ATOM 916 CA VAL A 63 4.246 -3.989 -10.310 1.00 0.00 C ATOM 917 C VAL A 63 4.719 -4.453 -11.683 1.00 0.00 C ATOM 918 O VAL A 63 4.299 -3.936 -12.719 1.00 0.00 O ATOM 919 CB VAL A 63 3.066 -4.872 -9.860 1.00 0.00 C ATOM 920 CG1 VAL A 63 2.426 -4.306 -8.602 1.00 0.00 C ATOM 921 CG2 VAL A 63 2.042 -5.001 -10.977 1.00 0.00 C ATOM 0 H VAL A 63 3.198 -2.331 -11.049 1.00 0.00 H new ATOM 0 HA VAL A 63 5.061 -4.092 -9.594 1.00 0.00 H new ATOM 0 HB VAL A 63 3.446 -5.867 -9.630 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.595 -4.942 -8.299 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.166 -4.270 -7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.058 -3.300 -8.802 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.215 -5.628 -10.642 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.665 -4.013 -11.240 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.511 -5.455 -11.850 1.00 0.00 H new ATOM 931 N PRO A 64 5.613 -5.452 -11.694 1.00 0.00 N ATOM 932 CA PRO A 64 6.162 -6.009 -12.934 1.00 0.00 C ATOM 933 C PRO A 64 5.125 -6.799 -13.724 1.00 0.00 C ATOM 934 O PRO A 64 4.132 -7.270 -13.168 1.00 0.00 O ATOM 935 CB PRO A 64 7.279 -6.934 -12.444 1.00 0.00 C ATOM 936 CG PRO A 64 6.878 -7.310 -11.059 1.00 0.00 C ATOM 937 CD PRO A 64 6.158 -6.115 -10.498 1.00 0.00 C ATOM 0 HA PRO A 64 6.504 -5.229 -13.614 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.373 -7.813 -13.081 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.245 -6.428 -12.453 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.232 -8.188 -11.064 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.750 -7.560 -10.454 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.368 -6.410 -9.807 1.00 0.00 H new ATOM 0 HD3 PRO A 64 6.834 -5.460 -9.949 1.00 0.00 H new ATOM 945 N LYS A 65 5.360 -6.940 -15.025 1.00 0.00 N ATOM 946 CA LYS A 65 4.446 -7.674 -15.892 1.00 0.00 C ATOM 947 C LYS A 65 4.063 -9.013 -15.270 1.00 0.00 C ATOM 948 O LYS A 65 2.894 -9.398 -15.274 1.00 0.00 O ATOM 949 CB LYS A 65 5.085 -7.902 -17.264 1.00 0.00 C ATOM 950 CG LYS A 65 4.352 -8.924 -18.115 1.00 0.00 C ATOM 951 CD LYS A 65 3.102 -8.332 -18.744 1.00 0.00 C ATOM 952 CE LYS A 65 2.135 -9.418 -19.190 1.00 0.00 C ATOM 953 NZ LYS A 65 0.744 -8.902 -19.321 1.00 0.00 N ATOM 0 H LYS A 65 6.176 -6.555 -15.502 1.00 0.00 H new ATOM 0 HA LYS A 65 3.542 -7.077 -16.013 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.121 -6.954 -17.801 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.115 -8.229 -17.125 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.016 -9.290 -18.898 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.080 -9.782 -17.501 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.608 -7.676 -18.027 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.380 -7.717 -19.600 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.463 -9.826 -20.146 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.152 -10.237 -18.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.115 -9.672 -19.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.422 -8.536 -18.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.722 -8.137 -20.025 1.00 0.00 H new ATOM 967 N SER A 66 5.055 -9.717 -14.734 1.00 0.00 N ATOM 968 CA SER A 66 4.821 -11.014 -14.110 1.00 0.00 C ATOM 969 C SER A 66 3.563 -10.983 -13.247 1.00 0.00 C ATOM 970 O SER A 66 2.725 -11.883 -13.319 1.00 0.00 O ATOM 971 CB SER A 66 6.026 -11.419 -13.259 1.00 0.00 C ATOM 972 OG SER A 66 7.184 -11.583 -14.060 1.00 0.00 O ATOM 0 H SER A 66 6.028 -9.411 -14.719 1.00 0.00 H new ATOM 0 HA SER A 66 4.680 -11.750 -14.902 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.210 -10.660 -12.499 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.808 -12.349 -12.734 1.00 0.00 H new ATOM 0 HG SER A 66 7.941 -11.840 -13.493 1.00 0.00 H new ATOM 978 N LEU A 67 3.438 -9.942 -12.432 1.00 0.00 N ATOM 979 CA LEU A 67 2.282 -9.792 -11.555 1.00 0.00 C ATOM 980 C LEU A 67 1.356 -8.689 -12.057 1.00 0.00 C ATOM 981 O LEU A 67 1.762 -7.840 -12.850 1.00 0.00 O ATOM 982 CB LEU A 67 2.738 -9.481 -10.128 1.00 0.00 C ATOM 983 CG LEU A 67 4.027 -10.163 -9.671 1.00 0.00 C ATOM 984 CD1 LEU A 67 4.669 -9.385 -8.533 1.00 0.00 C ATOM 985 CD2 LEU A 67 3.750 -11.598 -9.248 1.00 0.00 C ATOM 0 H LEU A 67 4.123 -9.189 -12.360 1.00 0.00 H new ATOM 0 HA LEU A 67 1.730 -10.732 -11.558 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.869 -8.403 -10.037 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.939 -9.764 -9.443 1.00 0.00 H new ATOM 0 HG LEU A 67 4.723 -10.180 -10.510 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.585 -9.886 -8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.904 -8.375 -8.870 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.978 -9.335 -7.691 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.679 -12.068 -8.926 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.036 -11.603 -8.424 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.336 -12.152 -10.090 1.00 0.00 H new ATOM 997 N GLN A 68 0.113 -8.708 -11.589 1.00 0.00 N ATOM 998 CA GLN A 68 -0.870 -7.708 -11.990 1.00 0.00 C ATOM 999 C GLN A 68 -1.152 -6.735 -10.851 1.00 0.00 C ATOM 1000 O GLN A 68 -0.898 -7.037 -9.684 1.00 0.00 O ATOM 1001 CB GLN A 68 -2.168 -8.386 -12.431 1.00 0.00 C ATOM 1002 CG GLN A 68 -2.934 -7.606 -13.487 1.00 0.00 C ATOM 1003 CD GLN A 68 -4.390 -8.019 -13.576 1.00 0.00 C ATOM 1004 OE1 GLN A 68 -5.245 -7.476 -12.875 1.00 0.00 O ATOM 1005 NE2 GLN A 68 -4.681 -8.983 -14.441 1.00 0.00 N ATOM 0 H GLN A 68 -0.238 -9.405 -10.932 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.459 -7.147 -12.829 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.936 -9.377 -12.821 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.808 -8.527 -11.560 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.875 -6.541 -13.261 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -2.459 -7.752 -14.457 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.941 -9.405 -15.002 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.644 -9.301 -14.545 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.679 -5.565 -11.196 1.00 0.00 N ATOM 1015 CA LEU A 69 -1.997 -4.546 -10.202 1.00 0.00 C ATOM 1016 C LEU A 69 -3.379 -3.953 -10.452 1.00 0.00 C ATOM 1017 O LEU A 69 -3.763 -3.710 -11.596 1.00 0.00 O ATOM 1018 CB LEU A 69 -0.942 -3.438 -10.224 1.00 0.00 C ATOM 1019 CG LEU A 69 -1.034 -2.401 -9.104 1.00 0.00 C ATOM 1020 CD1 LEU A 69 -0.871 -3.067 -7.746 1.00 0.00 C ATOM 1021 CD2 LEU A 69 0.013 -1.314 -9.296 1.00 0.00 C ATOM 0 H LEU A 69 -1.895 -5.299 -12.157 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.998 -5.019 -9.220 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.044 -3.902 -10.183 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.010 -2.918 -11.180 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.020 -1.938 -9.143 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.939 -2.314 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.658 -3.808 -7.607 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.101 -3.557 -7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.067 -0.585 -8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.007 -1.760 -9.284 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.150 -0.817 -10.252 1.00 0.00 H new ATOM 1033 N GLN A 70 -4.122 -3.721 -9.374 1.00 0.00 N ATOM 1034 CA GLN A 70 -5.462 -3.154 -9.478 1.00 0.00 C ATOM 1035 C GLN A 70 -5.727 -2.173 -8.340 1.00 0.00 C ATOM 1036 O GLN A 70 -5.768 -2.558 -7.171 1.00 0.00 O ATOM 1037 CB GLN A 70 -6.511 -4.267 -9.462 1.00 0.00 C ATOM 1038 CG GLN A 70 -7.936 -3.761 -9.617 1.00 0.00 C ATOM 1039 CD GLN A 70 -8.072 -2.727 -10.716 1.00 0.00 C ATOM 1040 OE1 GLN A 70 -8.267 -1.541 -10.448 1.00 0.00 O ATOM 1041 NE2 GLN A 70 -7.970 -3.171 -11.964 1.00 0.00 N ATOM 0 H GLN A 70 -3.819 -3.917 -8.420 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.529 -2.614 -10.422 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.295 -4.971 -10.266 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.430 -4.818 -8.525 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.595 -4.602 -9.832 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.268 -3.328 -8.673 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.808 -4.162 -12.141 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.053 -2.520 -12.745 1.00 0.00 H new ATOM 1050 N LEU A 71 -5.907 -0.904 -8.691 1.00 0.00 N ATOM 1051 CA LEU A 71 -6.168 0.133 -7.699 1.00 0.00 C ATOM 1052 C LEU A 71 -7.660 0.234 -7.397 1.00 0.00 C ATOM 1053 O LEU A 71 -8.452 0.618 -8.258 1.00 0.00 O ATOM 1054 CB LEU A 71 -5.643 1.482 -8.193 1.00 0.00 C ATOM 1055 CG LEU A 71 -5.501 2.576 -7.134 1.00 0.00 C ATOM 1056 CD1 LEU A 71 -4.480 3.614 -7.572 1.00 0.00 C ATOM 1057 CD2 LEU A 71 -6.846 3.232 -6.860 1.00 0.00 C ATOM 0 H LEU A 71 -5.877 -0.569 -9.654 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.648 -0.138 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.669 1.323 -8.655 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.311 1.845 -8.974 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.149 2.116 -6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.393 4.384 -6.806 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.512 3.134 -7.716 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.802 4.069 -8.509 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.725 4.008 -6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.228 3.677 -7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.550 2.482 -6.501 1.00 0.00 H new ATOM 1069 N GLN A 72 -8.035 -0.110 -6.169 1.00 0.00 N ATOM 1070 CA GLN A 72 -9.432 -0.056 -5.754 1.00 0.00 C ATOM 1071 C GLN A 72 -9.775 1.313 -5.177 1.00 0.00 C ATOM 1072 O GLN A 72 -8.978 1.911 -4.454 1.00 0.00 O ATOM 1073 CB GLN A 72 -9.721 -1.146 -4.721 1.00 0.00 C ATOM 1074 CG GLN A 72 -11.204 -1.391 -4.495 1.00 0.00 C ATOM 1075 CD GLN A 72 -11.768 -2.452 -5.419 1.00 0.00 C ATOM 1076 OE1 GLN A 72 -12.079 -3.564 -4.991 1.00 0.00 O ATOM 1077 NE2 GLN A 72 -11.903 -2.113 -6.696 1.00 0.00 N ATOM 0 H GLN A 72 -7.392 -0.429 -5.445 1.00 0.00 H new ATOM 0 HA GLN A 72 -10.054 -0.225 -6.633 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.253 -2.075 -5.045 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.258 -0.869 -3.774 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -11.365 -1.693 -3.460 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -11.749 -0.459 -4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -11.633 -1.180 -7.007 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -12.277 -2.786 -7.365 1.00 0.00 H new ATOM 1086 N ALA A 73 -10.967 1.804 -5.501 1.00 0.00 N ATOM 1087 CA ALA A 73 -11.417 3.102 -5.013 1.00 0.00 C ATOM 1088 C ALA A 73 -11.232 3.215 -3.503 1.00 0.00 C ATOM 1089 O ALA A 73 -11.645 2.344 -2.737 1.00 0.00 O ATOM 1090 CB ALA A 73 -12.874 3.331 -5.387 1.00 0.00 C ATOM 0 H ALA A 73 -11.638 1.322 -6.099 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.807 3.872 -5.486 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.196 4.304 -5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.980 3.303 -6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.491 2.551 -4.942 1.00 0.00 H new ATOM 1096 N PRO A 74 -10.598 4.312 -3.064 1.00 0.00 N ATOM 1097 CA PRO A 74 -10.345 4.564 -1.643 1.00 0.00 C ATOM 1098 C PRO A 74 -11.623 4.876 -0.872 1.00 0.00 C ATOM 1099 O PRO A 74 -12.722 4.815 -1.424 1.00 0.00 O ATOM 1100 CB PRO A 74 -9.419 5.783 -1.658 1.00 0.00 C ATOM 1101 CG PRO A 74 -9.725 6.475 -2.942 1.00 0.00 C ATOM 1102 CD PRO A 74 -10.079 5.391 -3.922 1.00 0.00 C ATOM 0 HA PRO A 74 -9.919 3.693 -1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.606 6.433 -0.803 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -8.372 5.485 -1.608 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.551 7.176 -2.820 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -8.867 7.050 -3.289 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -10.826 5.727 -4.641 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.210 5.067 -4.494 1.00 0.00 H new ATOM 1110 N SER A 75 -11.472 5.210 0.405 1.00 0.00 N ATOM 1111 CA SER A 75 -12.616 5.528 1.252 1.00 0.00 C ATOM 1112 C SER A 75 -12.688 7.027 1.526 1.00 0.00 C ATOM 1113 O SER A 75 -13.749 7.560 1.849 1.00 0.00 O ATOM 1114 CB SER A 75 -12.528 4.761 2.573 1.00 0.00 C ATOM 1115 OG SER A 75 -13.609 5.091 3.427 1.00 0.00 O ATOM 0 H SER A 75 -10.569 5.268 0.876 1.00 0.00 H new ATOM 0 HA SER A 75 -13.522 5.228 0.725 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.531 3.689 2.376 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.585 4.992 3.069 1.00 0.00 H new ATOM 0 HG SER A 75 -13.531 4.587 4.264 1.00 0.00 H new ATOM 1121 N GLY A 76 -11.551 7.703 1.394 1.00 0.00 N ATOM 1122 CA GLY A 76 -11.506 9.134 1.630 1.00 0.00 C ATOM 1123 C GLY A 76 -10.157 9.736 1.289 1.00 0.00 C ATOM 1124 O GLY A 76 -9.154 9.028 1.219 1.00 0.00 O ATOM 0 H GLY A 76 -10.660 7.285 1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.279 9.622 1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.735 9.334 2.677 1.00 0.00 H new ATOM 1128 N ASN A 77 -10.134 11.047 1.074 1.00 0.00 N ATOM 1129 CA ASN A 77 -8.898 11.744 0.736 1.00 0.00 C ATOM 1130 C ASN A 77 -8.526 12.750 1.821 1.00 0.00 C ATOM 1131 O ASN A 77 -7.755 13.681 1.583 1.00 0.00 O ATOM 1132 CB ASN A 77 -9.043 12.459 -0.610 1.00 0.00 C ATOM 1133 CG ASN A 77 -9.388 11.504 -1.737 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -10.473 10.924 -1.763 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -8.463 11.338 -2.675 1.00 0.00 N ATOM 0 H ASN A 77 -10.956 11.648 1.128 1.00 0.00 H new ATOM 0 HA ASN A 77 -8.101 11.004 0.663 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.819 13.221 -0.532 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.112 12.975 -0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.638 10.709 -3.458 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.577 11.840 -2.612 1.00 0.00 H new ATOM 1142 N THR A 78 -9.079 12.557 3.014 1.00 0.00 N ATOM 1143 CA THR A 78 -8.807 13.447 4.136 1.00 0.00 C ATOM 1144 C THR A 78 -8.447 12.657 5.389 1.00 0.00 C ATOM 1145 O THR A 78 -9.067 11.638 5.693 1.00 0.00 O ATOM 1146 CB THR A 78 -10.016 14.351 4.442 1.00 0.00 C ATOM 1147 OG1 THR A 78 -10.336 15.146 3.295 1.00 0.00 O ATOM 1148 CG2 THR A 78 -9.727 15.257 5.629 1.00 0.00 C ATOM 0 H THR A 78 -9.718 11.792 3.228 1.00 0.00 H new ATOM 0 HA THR A 78 -7.961 14.071 3.847 1.00 0.00 H new ATOM 0 HB THR A 78 -10.865 13.714 4.690 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.107 15.717 3.497 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.595 15.886 5.826 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.513 14.648 6.508 1.00 0.00 H new ATOM 0 HG23 THR A 78 -8.866 15.887 5.405 1.00 0.00 H new ATOM 1156 N VAL A 79 -7.440 13.134 6.115 1.00 0.00 N ATOM 1157 CA VAL A 79 -6.999 12.473 7.337 1.00 0.00 C ATOM 1158 C VAL A 79 -6.870 13.468 8.484 1.00 0.00 C ATOM 1159 O VAL A 79 -6.233 14.515 8.362 1.00 0.00 O ATOM 1160 CB VAL A 79 -5.647 11.763 7.134 1.00 0.00 C ATOM 1161 CG1 VAL A 79 -5.181 11.120 8.432 1.00 0.00 C ATOM 1162 CG2 VAL A 79 -5.751 10.727 6.024 1.00 0.00 C ATOM 0 H VAL A 79 -6.915 13.976 5.878 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.757 11.731 7.587 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.907 12.506 6.838 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.225 10.623 8.269 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.066 11.888 9.197 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.919 10.388 8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.787 10.235 5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.504 9.985 6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.036 11.218 5.094 1.00 0.00 H new ATOM 1172 N PRO A 80 -7.488 13.137 9.627 1.00 0.00 N ATOM 1173 CA PRO A 80 -7.456 13.988 10.820 1.00 0.00 C ATOM 1174 C PRO A 80 -6.075 14.031 11.465 1.00 0.00 C ATOM 1175 O PRO A 80 -5.354 13.035 11.477 1.00 0.00 O ATOM 1176 CB PRO A 80 -8.464 13.321 11.759 1.00 0.00 C ATOM 1177 CG PRO A 80 -8.496 11.895 11.330 1.00 0.00 C ATOM 1178 CD PRO A 80 -8.265 11.905 9.844 1.00 0.00 C ATOM 0 HA PRO A 80 -7.693 15.026 10.586 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.156 13.414 12.801 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -9.448 13.782 11.675 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -7.726 11.316 11.841 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.454 11.436 11.573 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -7.717 11.022 9.517 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.204 11.920 9.292 1.00 0.00 H new ATOM 1186 N ALA A 81 -5.714 15.192 12.001 1.00 0.00 N ATOM 1187 CA ALA A 81 -4.420 15.364 12.650 1.00 0.00 C ATOM 1188 C ALA A 81 -4.524 15.129 14.153 1.00 0.00 C ATOM 1189 O ALA A 81 -3.598 15.434 14.905 1.00 0.00 O ATOM 1190 CB ALA A 81 -3.869 16.754 12.369 1.00 0.00 C ATOM 0 H ALA A 81 -6.299 16.027 11.999 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.734 14.623 12.239 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.902 16.868 12.860 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.748 16.887 11.294 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.561 17.504 12.752 1.00 0.00 H new ATOM 1196 N ARG A 82 -5.658 14.585 14.585 1.00 0.00 N ATOM 1197 CA ARG A 82 -5.883 14.310 15.999 1.00 0.00 C ATOM 1198 C ARG A 82 -6.132 12.823 16.231 1.00 0.00 C ATOM 1199 O ARG A 82 -6.919 12.443 17.097 1.00 0.00 O ATOM 1200 CB ARG A 82 -7.071 15.124 16.516 1.00 0.00 C ATOM 1201 CG ARG A 82 -7.102 16.552 15.997 1.00 0.00 C ATOM 1202 CD ARG A 82 -6.329 17.493 16.909 1.00 0.00 C ATOM 1203 NE ARG A 82 -6.891 17.533 18.256 1.00 0.00 N ATOM 1204 CZ ARG A 82 -6.205 17.916 19.327 1.00 0.00 C ATOM 1205 NH1 ARG A 82 -4.938 18.291 19.209 1.00 0.00 N ATOM 1206 NH2 ARG A 82 -6.786 17.927 20.520 1.00 0.00 N ATOM 0 H ARG A 82 -6.434 14.326 13.976 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.986 14.600 16.547 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -7.996 14.623 16.231 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -7.041 15.143 17.605 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.677 16.585 14.994 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.136 16.889 15.917 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.288 17.175 16.960 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.335 18.497 16.484 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.863 17.252 18.381 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.488 18.286 18.294 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -4.414 18.585 20.033 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.760 17.641 20.615 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.258 18.221 21.342 1.00 0.00 H new ATOM 1220 N GLY A 83 -5.457 11.986 15.450 1.00 0.00 N ATOM 1221 CA GLY A 83 -5.619 10.550 15.585 1.00 0.00 C ATOM 1222 C GLY A 83 -7.065 10.114 15.448 1.00 0.00 C ATOM 1223 O GLY A 83 -7.655 9.591 16.392 1.00 0.00 O ATOM 0 H GLY A 83 -4.800 12.277 14.726 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.018 10.047 14.828 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.238 10.234 16.556 1.00 0.00 H new ATOM 1227 N GLY A 84 -7.638 10.333 14.268 1.00 0.00 N ATOM 1228 CA GLY A 84 -9.019 9.955 14.033 1.00 0.00 C ATOM 1229 C GLY A 84 -9.144 8.601 13.362 1.00 0.00 C ATOM 1230 O GLY A 84 -9.032 7.563 14.015 1.00 0.00 O ATOM 0 H GLY A 84 -7.170 10.765 13.471 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.554 9.937 14.982 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.498 10.711 13.411 1.00 0.00 H new ATOM 1234 N LEU A 85 -9.378 8.611 12.054 1.00 0.00 N ATOM 1235 CA LEU A 85 -9.519 7.374 11.293 1.00 0.00 C ATOM 1236 C LEU A 85 -8.657 7.406 10.036 1.00 0.00 C ATOM 1237 O LEU A 85 -8.860 8.220 9.135 1.00 0.00 O ATOM 1238 CB LEU A 85 -10.985 7.150 10.915 1.00 0.00 C ATOM 1239 CG LEU A 85 -12.010 7.401 12.021 1.00 0.00 C ATOM 1240 CD1 LEU A 85 -12.368 8.877 12.093 1.00 0.00 C ATOM 1241 CD2 LEU A 85 -13.256 6.558 11.794 1.00 0.00 C ATOM 0 H LEU A 85 -9.474 9.461 11.499 1.00 0.00 H new ATOM 0 HA LEU A 85 -9.181 6.549 11.921 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.225 7.797 10.072 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.097 6.122 10.570 1.00 0.00 H new ATOM 0 HG LEU A 85 -11.567 7.110 12.973 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -13.099 9.036 12.886 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.471 9.459 12.304 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -12.791 9.196 11.140 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -13.975 6.749 12.591 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -13.701 6.818 10.834 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.986 5.502 11.795 1.00 0.00 H new ATOM 1253 N PRO A 86 -7.671 6.498 9.971 1.00 0.00 N ATOM 1254 CA PRO A 86 -6.759 6.400 8.827 1.00 0.00 C ATOM 1255 C PRO A 86 -7.455 5.879 7.574 1.00 0.00 C ATOM 1256 O PRO A 86 -8.538 5.298 7.651 1.00 0.00 O ATOM 1257 CB PRO A 86 -5.699 5.404 9.303 1.00 0.00 C ATOM 1258 CG PRO A 86 -6.389 4.580 10.335 1.00 0.00 C ATOM 1259 CD PRO A 86 -7.372 5.497 11.009 1.00 0.00 C ATOM 0 HA PRO A 86 -6.354 7.372 8.544 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.338 4.787 8.480 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -4.833 5.917 9.720 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.897 3.730 9.880 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.675 4.177 11.054 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.269 4.964 11.323 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -6.946 5.957 11.901 1.00 0.00 H new ATOM 1267 N ILE A 87 -6.826 6.089 6.423 1.00 0.00 N ATOM 1268 CA ILE A 87 -7.385 5.639 5.154 1.00 0.00 C ATOM 1269 C ILE A 87 -6.735 4.337 4.699 1.00 0.00 C ATOM 1270 O ILE A 87 -5.534 4.132 4.880 1.00 0.00 O ATOM 1271 CB ILE A 87 -7.208 6.701 4.053 1.00 0.00 C ATOM 1272 CG1 ILE A 87 -7.811 8.034 4.498 1.00 0.00 C ATOM 1273 CG2 ILE A 87 -7.849 6.230 2.756 1.00 0.00 C ATOM 1274 CD1 ILE A 87 -7.124 9.239 3.893 1.00 0.00 C ATOM 0 H ILE A 87 -5.929 6.568 6.343 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.450 5.473 5.319 1.00 0.00 H new ATOM 0 HB ILE A 87 -6.142 6.847 3.877 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.867 8.054 4.228 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.758 8.103 5.585 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.716 6.991 1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.378 5.302 2.433 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.913 6.059 2.917 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.603 10.150 4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.074 9.243 4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.199 9.194 2.807 1.00 0.00 H new ATOM 1286 N THR A 88 -7.536 3.458 4.105 1.00 0.00 N ATOM 1287 CA THR A 88 -7.040 2.175 3.622 1.00 0.00 C ATOM 1288 C THR A 88 -7.439 1.943 2.169 1.00 0.00 C ATOM 1289 O THR A 88 -8.469 2.438 1.713 1.00 0.00 O ATOM 1290 CB THR A 88 -7.568 1.010 4.480 1.00 0.00 C ATOM 1291 OG1 THR A 88 -8.988 0.900 4.336 1.00 0.00 O ATOM 1292 CG2 THR A 88 -7.216 1.215 5.946 1.00 0.00 C ATOM 0 H THR A 88 -8.532 3.611 3.947 1.00 0.00 H new ATOM 0 HA THR A 88 -5.953 2.208 3.696 1.00 0.00 H new ATOM 0 HB THR A 88 -7.096 0.090 4.135 1.00 0.00 H new ATOM 0 HG1 THR A 88 -9.316 0.156 4.883 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.599 0.380 6.532 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.133 1.269 6.056 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.663 2.143 6.301 1.00 0.00 H new ATOM 1300 N GLN A 89 -6.617 1.187 1.449 1.00 0.00 N ATOM 1301 CA GLN A 89 -6.885 0.889 0.047 1.00 0.00 C ATOM 1302 C GLN A 89 -6.699 -0.597 -0.240 1.00 0.00 C ATOM 1303 O GLN A 89 -6.115 -1.326 0.563 1.00 0.00 O ATOM 1304 CB GLN A 89 -5.966 1.714 -0.856 1.00 0.00 C ATOM 1305 CG GLN A 89 -6.450 3.137 -1.080 1.00 0.00 C ATOM 1306 CD GLN A 89 -6.021 3.695 -2.423 1.00 0.00 C ATOM 1307 OE1 GLN A 89 -4.867 4.082 -2.607 1.00 0.00 O ATOM 1308 NE2 GLN A 89 -6.950 3.739 -3.370 1.00 0.00 N ATOM 0 H GLN A 89 -5.760 0.770 1.813 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.922 1.153 -0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.969 1.743 -0.416 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.874 1.214 -1.820 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.538 3.162 -1.011 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.066 3.777 -0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -7.894 3.407 -3.174 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.719 4.104 -4.294 1.00 0.00 H new ATOM 1317 N LEU A 90 -7.200 -1.040 -1.387 1.00 0.00 N ATOM 1318 CA LEU A 90 -7.090 -2.441 -1.780 1.00 0.00 C ATOM 1319 C LEU A 90 -6.315 -2.581 -3.086 1.00 0.00 C ATOM 1320 O LEU A 90 -6.429 -1.742 -3.981 1.00 0.00 O ATOM 1321 CB LEU A 90 -8.481 -3.060 -1.930 1.00 0.00 C ATOM 1322 CG LEU A 90 -8.598 -4.212 -2.928 1.00 0.00 C ATOM 1323 CD1 LEU A 90 -7.816 -5.422 -2.442 1.00 0.00 C ATOM 1324 CD2 LEU A 90 -10.059 -4.575 -3.155 1.00 0.00 C ATOM 0 H LEU A 90 -7.687 -0.450 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.546 -2.970 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.805 -3.418 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.176 -2.275 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.173 -3.888 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.911 -6.232 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.765 -5.156 -2.332 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.210 -5.747 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.123 -5.397 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.510 -4.879 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.592 -3.710 -3.550 1.00 0.00 H new ATOM 1336 N PHE A 91 -5.528 -3.647 -3.190 1.00 0.00 N ATOM 1337 CA PHE A 91 -4.735 -3.898 -4.388 1.00 0.00 C ATOM 1338 C PHE A 91 -4.728 -5.384 -4.734 1.00 0.00 C ATOM 1339 O PHE A 91 -4.145 -6.196 -4.016 1.00 0.00 O ATOM 1340 CB PHE A 91 -3.302 -3.401 -4.189 1.00 0.00 C ATOM 1341 CG PHE A 91 -3.218 -1.959 -3.778 1.00 0.00 C ATOM 1342 CD1 PHE A 91 -3.459 -1.584 -2.466 1.00 0.00 C ATOM 1343 CD2 PHE A 91 -2.899 -0.979 -4.704 1.00 0.00 C ATOM 1344 CE1 PHE A 91 -3.383 -0.257 -2.086 1.00 0.00 C ATOM 1345 CE2 PHE A 91 -2.821 0.349 -4.329 1.00 0.00 C ATOM 1346 CZ PHE A 91 -3.063 0.710 -3.018 1.00 0.00 C ATOM 0 H PHE A 91 -5.422 -4.351 -2.459 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.189 -3.353 -5.216 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -2.815 -4.015 -3.431 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -2.746 -3.539 -5.117 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -3.709 -2.336 -1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.709 -1.256 -5.730 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.574 0.023 -1.061 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.571 1.104 -5.060 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.002 1.747 -2.722 1.00 0.00 H new ATOM 1356 N ARG A 92 -5.380 -5.731 -5.839 1.00 0.00 N ATOM 1357 CA ARG A 92 -5.450 -7.119 -6.280 1.00 0.00 C ATOM 1358 C ARG A 92 -4.258 -7.470 -7.165 1.00 0.00 C ATOM 1359 O ARG A 92 -4.125 -6.955 -8.276 1.00 0.00 O ATOM 1360 CB ARG A 92 -6.754 -7.370 -7.039 1.00 0.00 C ATOM 1361 CG ARG A 92 -7.923 -7.736 -6.139 1.00 0.00 C ATOM 1362 CD ARG A 92 -9.200 -7.938 -6.938 1.00 0.00 C ATOM 1363 NE ARG A 92 -9.059 -8.994 -7.937 1.00 0.00 N ATOM 1364 CZ ARG A 92 -10.086 -9.540 -8.579 1.00 0.00 C ATOM 1365 NH1 ARG A 92 -11.322 -9.131 -8.329 1.00 0.00 N ATOM 1366 NH2 ARG A 92 -9.877 -10.497 -9.475 1.00 0.00 N ATOM 0 H ARG A 92 -5.867 -5.071 -6.445 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.424 -7.756 -5.396 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.011 -6.477 -7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.596 -8.173 -7.760 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.689 -8.648 -5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.075 -6.949 -5.401 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.016 -8.187 -6.260 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.470 -7.005 -7.432 1.00 0.00 H new ATOM 0 HE ARG A 92 -8.121 -9.331 -8.154 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.487 -8.395 -7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.108 -9.552 -8.824 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.927 -10.814 -9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.666 -10.916 -9.967 1.00 0.00 H new ATOM 1380 N ILE A 93 -3.394 -8.347 -6.666 1.00 0.00 N ATOM 1381 CA ILE A 93 -2.214 -8.766 -7.412 1.00 0.00 C ATOM 1382 C ILE A 93 -2.268 -10.255 -7.736 1.00 0.00 C ATOM 1383 O ILE A 93 -2.776 -11.055 -6.948 1.00 0.00 O ATOM 1384 CB ILE A 93 -0.920 -8.468 -6.631 1.00 0.00 C ATOM 1385 CG1 ILE A 93 -0.759 -6.961 -6.422 1.00 0.00 C ATOM 1386 CG2 ILE A 93 0.285 -9.038 -7.366 1.00 0.00 C ATOM 1387 CD1 ILE A 93 0.066 -6.604 -5.206 1.00 0.00 C ATOM 0 H ILE A 93 -3.489 -8.781 -5.748 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.208 -8.195 -8.341 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.985 -8.946 -5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.293 -6.527 -7.307 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.746 -6.508 -6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.192 -8.820 -6.802 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.172 -10.117 -7.468 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.355 -8.586 -8.355 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.138 -5.520 -5.121 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.410 -7.008 -4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.065 -7.027 -5.307 1.00 0.00 H new ATOM 1399 N LEU A 94 -1.740 -10.621 -8.898 1.00 0.00 N ATOM 1400 CA LEU A 94 -1.726 -12.015 -9.327 1.00 0.00 C ATOM 1401 C LEU A 94 -0.301 -12.557 -9.371 1.00 0.00 C ATOM 1402 O LEU A 94 0.564 -12.001 -10.046 1.00 0.00 O ATOM 1403 CB LEU A 94 -2.380 -12.153 -10.703 1.00 0.00 C ATOM 1404 CG LEU A 94 -3.891 -12.382 -10.708 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -4.229 -13.735 -10.102 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -4.602 -11.267 -9.956 1.00 0.00 C ATOM 0 H LEU A 94 -1.316 -9.972 -9.561 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.294 -12.598 -8.602 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.168 -11.250 -11.276 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.905 -12.982 -11.227 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.236 -12.374 -11.742 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.309 -13.880 -10.114 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.751 -14.524 -10.683 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.870 -13.773 -9.074 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.677 -11.447 -9.970 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.251 -11.243 -8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.388 -10.311 -10.434 1.00 0.00 H new ATOM 1418 N ASN A 95 -0.065 -13.648 -8.649 1.00 0.00 N ATOM 1419 CA ASN A 95 1.255 -14.267 -8.608 1.00 0.00 C ATOM 1420 C ASN A 95 1.178 -15.739 -9.001 1.00 0.00 C ATOM 1421 O ASN A 95 1.768 -16.609 -8.360 1.00 0.00 O ATOM 1422 CB ASN A 95 1.860 -14.131 -7.209 1.00 0.00 C ATOM 1423 CG ASN A 95 3.375 -14.058 -7.239 1.00 0.00 C ATOM 1424 OD1 ASN A 95 3.972 -13.108 -6.733 1.00 0.00 O ATOM 1425 ND2 ASN A 95 4.003 -15.065 -7.836 1.00 0.00 N ATOM 0 H ASN A 95 -0.771 -14.121 -8.085 1.00 0.00 H new ATOM 0 HA ASN A 95 1.894 -13.752 -9.325 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.465 -13.235 -6.731 1.00 0.00 H new ATOM 0 HB3 ASN A 95 1.552 -14.980 -6.599 1.00 0.00 H new ATOM 0 HD21 ASN A 95 5.022 -15.071 -7.889 1.00 0.00 H new ATOM 0 HD22 ASN A 95 3.467 -15.832 -8.242 1.00 0.00 H new ATOM 1432 N PRO A 96 0.436 -16.025 -10.080 1.00 0.00 N ATOM 1433 CA PRO A 96 0.265 -17.391 -10.584 1.00 0.00 C ATOM 1434 C PRO A 96 1.546 -17.947 -11.197 1.00 0.00 C ATOM 1435 O PRO A 96 1.728 -19.160 -11.285 1.00 0.00 O ATOM 1436 CB PRO A 96 -0.819 -17.241 -11.655 1.00 0.00 C ATOM 1437 CG PRO A 96 -0.716 -15.824 -12.103 1.00 0.00 C ATOM 1438 CD PRO A 96 -0.295 -15.037 -10.892 1.00 0.00 C ATOM 0 HA PRO A 96 0.004 -18.089 -9.789 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -0.655 -17.931 -12.483 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.808 -17.457 -11.250 1.00 0.00 H new ATOM 0 HG2 PRO A 96 0.012 -15.721 -12.908 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.671 -15.466 -12.489 1.00 0.00 H new ATOM 0 HD2 PRO A 96 0.338 -14.192 -11.162 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.154 -14.633 -10.356 1.00 0.00 H new ATOM 1446 N ASN A 97 2.432 -17.050 -11.619 1.00 0.00 N ATOM 1447 CA ASN A 97 3.697 -17.452 -12.224 1.00 0.00 C ATOM 1448 C ASN A 97 4.685 -17.920 -11.160 1.00 0.00 C ATOM 1449 O ASN A 97 5.806 -18.322 -11.471 1.00 0.00 O ATOM 1450 CB ASN A 97 4.298 -16.291 -13.019 1.00 0.00 C ATOM 1451 CG ASN A 97 3.713 -16.181 -14.414 1.00 0.00 C ATOM 1452 OD1 ASN A 97 4.417 -16.354 -15.409 1.00 0.00 O ATOM 1453 ND2 ASN A 97 2.419 -15.893 -14.492 1.00 0.00 N ATOM 0 H ASN A 97 2.297 -16.041 -11.553 1.00 0.00 H new ATOM 0 HA ASN A 97 3.499 -18.283 -12.901 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.126 -15.359 -12.481 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.378 -16.423 -13.090 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.970 -15.807 -15.404 1.00 0.00 H new ATOM 0 HD22 ASN A 97 1.874 -15.758 -13.640 1.00 0.00 H new ATOM 1460 N LYS A 98 4.261 -17.864 -9.902 1.00 0.00 N ATOM 1461 CA LYS A 98 5.105 -18.283 -8.790 1.00 0.00 C ATOM 1462 C LYS A 98 6.427 -17.522 -8.794 1.00 0.00 C ATOM 1463 O LYS A 98 7.472 -18.071 -8.445 1.00 0.00 O ATOM 1464 CB LYS A 98 5.372 -19.788 -8.864 1.00 0.00 C ATOM 1465 CG LYS A 98 4.124 -20.636 -8.690 1.00 0.00 C ATOM 1466 CD LYS A 98 4.468 -22.057 -8.276 1.00 0.00 C ATOM 1467 CE LYS A 98 3.266 -22.981 -8.403 1.00 0.00 C ATOM 1468 NZ LYS A 98 3.614 -24.392 -8.076 1.00 0.00 N ATOM 0 H LYS A 98 3.337 -17.532 -9.627 1.00 0.00 H new ATOM 0 HA LYS A 98 4.578 -18.058 -7.862 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.828 -20.021 -9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.095 -20.059 -8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.478 -20.183 -7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 98 3.562 -20.654 -9.624 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.283 -22.431 -8.896 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.824 -22.061 -7.246 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.473 -22.639 -7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.874 -22.930 -9.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.769 -24.990 -8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.353 -24.727 -8.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.964 -24.446 -7.098 1.00 0.00 H new ATOM 1482 N ALA A 99 6.373 -16.254 -9.188 1.00 0.00 N ATOM 1483 CA ALA A 99 7.565 -15.416 -9.233 1.00 0.00 C ATOM 1484 C ALA A 99 7.529 -14.351 -8.143 1.00 0.00 C ATOM 1485 O ALA A 99 6.812 -13.355 -8.238 1.00 0.00 O ATOM 1486 CB ALA A 99 7.703 -14.768 -10.603 1.00 0.00 C ATOM 0 H ALA A 99 5.516 -15.784 -9.481 1.00 0.00 H new ATOM 0 HA ALA A 99 8.433 -16.051 -9.055 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.597 -14.145 -10.622 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.784 -15.543 -11.365 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.827 -14.151 -10.804 1.00 0.00 H new ATOM 1492 N PRO A 100 8.321 -14.563 -7.081 1.00 0.00 N ATOM 1493 CA PRO A 100 8.397 -13.631 -5.952 1.00 0.00 C ATOM 1494 C PRO A 100 9.084 -12.322 -6.326 1.00 0.00 C ATOM 1495 O PRO A 100 10.312 -12.232 -6.329 1.00 0.00 O ATOM 1496 CB PRO A 100 9.228 -14.394 -4.918 1.00 0.00 C ATOM 1497 CG PRO A 100 10.049 -15.345 -5.718 1.00 0.00 C ATOM 1498 CD PRO A 100 9.203 -15.728 -6.901 1.00 0.00 C ATOM 0 HA PRO A 100 7.409 -13.341 -5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.857 -13.718 -4.339 1.00 0.00 H new ATOM 0 HB3 PRO A 100 8.590 -14.921 -4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.982 -14.881 -6.039 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.316 -16.222 -5.128 1.00 0.00 H new ATOM 0 HD2 PRO A 100 9.811 -15.913 -7.787 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.633 -16.638 -6.710 1.00 0.00 H new ATOM 1506 N LEU A 101 8.284 -11.309 -6.641 1.00 0.00 N ATOM 1507 CA LEU A 101 8.816 -10.003 -7.016 1.00 0.00 C ATOM 1508 C LEU A 101 8.603 -8.987 -5.899 1.00 0.00 C ATOM 1509 O LEU A 101 8.105 -9.325 -4.825 1.00 0.00 O ATOM 1510 CB LEU A 101 8.150 -9.510 -8.303 1.00 0.00 C ATOM 1511 CG LEU A 101 8.796 -9.969 -9.611 1.00 0.00 C ATOM 1512 CD1 LEU A 101 10.095 -9.218 -9.857 1.00 0.00 C ATOM 1513 CD2 LEU A 101 9.042 -11.471 -9.586 1.00 0.00 C ATOM 0 H LEU A 101 7.266 -11.367 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 101 9.887 -10.109 -7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.111 -9.838 -8.299 1.00 0.00 H new ATOM 0 HB3 LEU A 101 8.140 -8.420 -8.289 1.00 0.00 H new ATOM 0 HG LEU A 101 8.112 -9.747 -10.430 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.540 -9.558 -10.792 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.891 -8.149 -9.920 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.786 -9.408 -9.036 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.502 -11.780 -10.525 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.707 -11.717 -8.758 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.094 -11.993 -9.458 1.00 0.00 H new ATOM 1525 N ARG A 102 8.980 -7.740 -6.160 1.00 0.00 N ATOM 1526 CA ARG A 102 8.830 -6.674 -5.177 1.00 0.00 C ATOM 1527 C ARG A 102 7.630 -5.792 -5.510 1.00 0.00 C ATOM 1528 O ARG A 102 6.923 -6.032 -6.490 1.00 0.00 O ATOM 1529 CB ARG A 102 10.100 -5.823 -5.118 1.00 0.00 C ATOM 1530 CG ARG A 102 11.125 -6.328 -4.116 1.00 0.00 C ATOM 1531 CD ARG A 102 11.817 -7.587 -4.613 1.00 0.00 C ATOM 1532 NE ARG A 102 11.072 -8.795 -4.266 1.00 0.00 N ATOM 1533 CZ ARG A 102 10.855 -9.190 -3.016 1.00 0.00 C ATOM 1534 NH1 ARG A 102 11.322 -8.476 -2.001 1.00 0.00 N ATOM 1535 NH2 ARG A 102 10.168 -10.300 -2.781 1.00 0.00 N ATOM 0 H ARG A 102 9.392 -7.443 -7.045 1.00 0.00 H new ATOM 0 HA ARG A 102 8.663 -7.134 -4.203 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.555 -5.795 -6.108 1.00 0.00 H new ATOM 0 HB3 ARG A 102 9.829 -4.798 -4.863 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.868 -5.552 -3.932 1.00 0.00 H new ATOM 0 HG3 ARG A 102 10.635 -6.533 -3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 102 11.935 -7.532 -5.695 1.00 0.00 H new ATOM 0 HD3 ARG A 102 12.818 -7.643 -4.185 1.00 0.00 H new ATOM 0 HE ARG A 102 10.698 -9.366 -5.024 1.00 0.00 H new ATOM 0 HH11 ARG A 102 11.849 -7.621 -2.179 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.154 -8.782 -1.042 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.806 -10.850 -3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 102 10.001 -10.603 -1.821 1.00 0.00 H new ATOM 1549 N LEU A 103 7.405 -4.773 -4.689 1.00 0.00 N ATOM 1550 CA LEU A 103 6.289 -3.856 -4.895 1.00 0.00 C ATOM 1551 C LEU A 103 6.715 -2.414 -4.634 1.00 0.00 C ATOM 1552 O LEU A 103 7.269 -2.099 -3.581 1.00 0.00 O ATOM 1553 CB LEU A 103 5.121 -4.228 -3.980 1.00 0.00 C ATOM 1554 CG LEU A 103 4.177 -3.087 -3.600 1.00 0.00 C ATOM 1555 CD1 LEU A 103 3.309 -2.694 -4.786 1.00 0.00 C ATOM 1556 CD2 LEU A 103 3.312 -3.484 -2.413 1.00 0.00 C ATOM 0 H LEU A 103 7.980 -4.560 -3.874 1.00 0.00 H new ATOM 0 HA LEU A 103 5.969 -3.940 -5.934 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.537 -5.009 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.526 -4.658 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 103 4.778 -2.224 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.644 -1.881 -4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.944 -2.368 -5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.716 -3.552 -5.103 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.646 -2.660 -2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.720 -4.362 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.949 -3.715 -1.559 1.00 0.00 H new ATOM 1568 N LYS A 104 6.449 -1.541 -5.600 1.00 0.00 N ATOM 1569 CA LYS A 104 6.801 -0.131 -5.475 1.00 0.00 C ATOM 1570 C LYS A 104 5.643 0.668 -4.886 1.00 0.00 C ATOM 1571 O LYS A 104 4.511 0.583 -5.363 1.00 0.00 O ATOM 1572 CB LYS A 104 7.188 0.442 -6.841 1.00 0.00 C ATOM 1573 CG LYS A 104 7.608 1.901 -6.791 1.00 0.00 C ATOM 1574 CD LYS A 104 7.614 2.527 -8.175 1.00 0.00 C ATOM 1575 CE LYS A 104 8.966 2.366 -8.854 1.00 0.00 C ATOM 1576 NZ LYS A 104 9.086 3.226 -10.063 1.00 0.00 N ATOM 0 H LYS A 104 5.991 -1.785 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 104 7.654 -0.053 -4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.005 -0.149 -7.255 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.343 0.339 -7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.928 2.454 -6.143 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.602 1.980 -6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.840 2.064 -8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.368 3.586 -8.097 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.758 2.618 -8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.109 1.323 -9.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.021 3.087 -10.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.346 2.969 -10.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.975 4.224 -9.792 1.00 0.00 H new ATOM 1590 N LEU A 105 5.934 1.444 -3.848 1.00 0.00 N ATOM 1591 CA LEU A 105 4.917 2.261 -3.195 1.00 0.00 C ATOM 1592 C LEU A 105 5.284 3.740 -3.256 1.00 0.00 C ATOM 1593 O LEU A 105 6.321 4.154 -2.737 1.00 0.00 O ATOM 1594 CB LEU A 105 4.744 1.826 -1.739 1.00 0.00 C ATOM 1595 CG LEU A 105 3.860 0.600 -1.505 1.00 0.00 C ATOM 1596 CD1 LEU A 105 3.831 0.237 -0.028 1.00 0.00 C ATOM 1597 CD2 LEU A 105 2.451 0.851 -2.022 1.00 0.00 C ATOM 0 H LEU A 105 6.866 1.525 -3.440 1.00 0.00 H new ATOM 0 HA LEU A 105 3.975 2.118 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.730 1.623 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.327 2.662 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 105 4.283 -0.240 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.197 -0.637 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.842 0.014 0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.433 1.074 0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.836 -0.032 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.018 1.704 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.488 1.061 -3.091 1.00 0.00 H new ATOM 1609 N ARG A 106 4.426 4.532 -3.890 1.00 0.00 N ATOM 1610 CA ARG A 106 4.660 5.965 -4.018 1.00 0.00 C ATOM 1611 C ARG A 106 3.632 6.757 -3.214 1.00 0.00 C ATOM 1612 O ARG A 106 2.434 6.474 -3.267 1.00 0.00 O ATOM 1613 CB ARG A 106 4.606 6.384 -5.488 1.00 0.00 C ATOM 1614 CG ARG A 106 4.165 7.824 -5.696 1.00 0.00 C ATOM 1615 CD ARG A 106 4.265 8.231 -7.158 1.00 0.00 C ATOM 1616 NE ARG A 106 5.624 8.095 -7.673 1.00 0.00 N ATOM 1617 CZ ARG A 106 6.118 6.959 -8.154 1.00 0.00 C ATOM 1618 NH1 ARG A 106 5.367 5.867 -8.186 1.00 0.00 N ATOM 1619 NH2 ARG A 106 7.365 6.915 -8.604 1.00 0.00 N ATOM 0 H ARG A 106 3.562 4.205 -4.323 1.00 0.00 H new ATOM 0 HA ARG A 106 5.652 6.182 -3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.592 6.247 -5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.922 5.723 -6.020 1.00 0.00 H new ATOM 0 HG2 ARG A 106 3.137 7.944 -5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.783 8.486 -5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 106 3.589 7.616 -7.752 1.00 0.00 H new ATOM 0 HD3 ARG A 106 3.937 9.264 -7.270 1.00 0.00 H new ATOM 0 HE ARG A 106 6.228 8.917 -7.663 1.00 0.00 H new ATOM 0 HH11 ARG A 106 4.408 5.898 -7.841 1.00 0.00 H new ATOM 0 HH12 ARG A 106 5.749 4.996 -8.556 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.945 7.753 -8.581 1.00 0.00 H new ATOM 0 HH22 ARG A 106 7.744 6.043 -8.973 1.00 0.00 H new ATOM 1633 N LEU A 107 4.108 7.750 -2.471 1.00 0.00 N ATOM 1634 CA LEU A 107 3.231 8.583 -1.656 1.00 0.00 C ATOM 1635 C LEU A 107 3.381 10.056 -2.024 1.00 0.00 C ATOM 1636 O LEU A 107 4.495 10.571 -2.129 1.00 0.00 O ATOM 1637 CB LEU A 107 3.540 8.384 -0.171 1.00 0.00 C ATOM 1638 CG LEU A 107 3.442 6.949 0.348 1.00 0.00 C ATOM 1639 CD1 LEU A 107 3.863 6.879 1.808 1.00 0.00 C ATOM 1640 CD2 LEU A 107 2.029 6.413 0.172 1.00 0.00 C ATOM 0 H LEU A 107 5.096 7.998 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 107 2.202 8.281 -1.851 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.548 8.751 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.858 9.006 0.408 1.00 0.00 H new ATOM 0 HG LEU A 107 4.120 6.326 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.787 5.850 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.893 7.221 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.211 7.516 2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.978 5.391 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 107 1.331 7.038 0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.764 6.425 -0.885 1.00 0.00 H new ATOM 1652 N THR A 108 2.252 10.730 -2.219 1.00 0.00 N ATOM 1653 CA THR A 108 2.257 12.143 -2.575 1.00 0.00 C ATOM 1654 C THR A 108 1.065 12.869 -1.962 1.00 0.00 C ATOM 1655 O THR A 108 -0.085 12.583 -2.293 1.00 0.00 O ATOM 1656 CB THR A 108 2.232 12.338 -4.103 1.00 0.00 C ATOM 1657 OG1 THR A 108 1.513 11.266 -4.722 1.00 0.00 O ATOM 1658 CG2 THR A 108 3.645 12.398 -4.664 1.00 0.00 C ATOM 0 H THR A 108 1.322 10.319 -2.136 1.00 0.00 H new ATOM 0 HA THR A 108 3.180 12.565 -2.177 1.00 0.00 H new ATOM 0 HB THR A 108 1.732 13.282 -4.318 1.00 0.00 H new ATOM 0 HG1 THR A 108 1.500 11.398 -5.693 1.00 0.00 H new ATOM 0 HG21 THR A 108 3.602 12.536 -5.744 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.181 13.233 -4.212 1.00 0.00 H new ATOM 0 HG23 THR A 108 4.166 11.468 -4.438 1.00 0.00 H new ATOM 1666 N TYR A 109 1.348 13.810 -1.068 1.00 0.00 N ATOM 1667 CA TYR A 109 0.298 14.576 -0.407 1.00 0.00 C ATOM 1668 C TYR A 109 0.821 15.934 0.051 1.00 0.00 C ATOM 1669 O TYR A 109 1.997 16.252 -0.127 1.00 0.00 O ATOM 1670 CB TYR A 109 -0.254 13.799 0.789 1.00 0.00 C ATOM 1671 CG TYR A 109 0.775 13.532 1.864 1.00 0.00 C ATOM 1672 CD1 TYR A 109 1.838 12.667 1.636 1.00 0.00 C ATOM 1673 CD2 TYR A 109 0.684 14.144 3.108 1.00 0.00 C ATOM 1674 CE1 TYR A 109 2.781 12.420 2.616 1.00 0.00 C ATOM 1675 CE2 TYR A 109 1.622 13.904 4.093 1.00 0.00 C ATOM 1676 CZ TYR A 109 2.668 13.041 3.842 1.00 0.00 C ATOM 1677 OH TYR A 109 3.604 12.797 4.821 1.00 0.00 O ATOM 0 H TYR A 109 2.295 14.061 -0.785 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.505 14.740 -1.126 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -1.084 14.357 1.223 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -0.657 12.849 0.439 1.00 0.00 H new ATOM 0 HD1 TYR A 109 1.929 12.179 0.677 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -0.135 14.819 3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 109 3.601 11.745 2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 109 1.537 14.389 5.054 1.00 0.00 H new ATOM 0 HH TYR A 109 3.380 13.313 5.624 1.00 0.00 H new ATOM 1687 N ASP A 110 -0.062 16.731 0.644 1.00 0.00 N ATOM 1688 CA ASP A 110 0.310 18.055 1.131 1.00 0.00 C ATOM 1689 C ASP A 110 0.212 18.121 2.652 1.00 0.00 C ATOM 1690 O ASP A 110 -0.845 17.865 3.229 1.00 0.00 O ATOM 1691 CB ASP A 110 -0.587 19.122 0.503 1.00 0.00 C ATOM 1692 CG ASP A 110 -0.731 18.950 -0.996 1.00 0.00 C ATOM 1693 OD1 ASP A 110 0.304 18.946 -1.694 1.00 0.00 O ATOM 1694 OD2 ASP A 110 -1.878 18.819 -1.472 1.00 0.00 O ATOM 0 H ASP A 110 -1.039 16.484 0.799 1.00 0.00 H new ATOM 0 HA ASP A 110 1.344 18.245 0.843 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -1.573 19.082 0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -0.175 20.109 0.714 1.00 0.00 H new ATOM 1699 N HIS A 111 1.323 18.465 3.296 1.00 0.00 N ATOM 1700 CA HIS A 111 1.363 18.565 4.751 1.00 0.00 C ATOM 1701 C HIS A 111 1.959 19.900 5.188 1.00 0.00 C ATOM 1702 O HIS A 111 2.886 20.412 4.562 1.00 0.00 O ATOM 1703 CB HIS A 111 2.178 17.413 5.340 1.00 0.00 C ATOM 1704 CG HIS A 111 1.750 17.021 6.721 1.00 0.00 C ATOM 1705 ND1 HIS A 111 2.548 16.294 7.578 1.00 0.00 N ATOM 1706 CD2 HIS A 111 0.599 17.261 7.393 1.00 0.00 C ATOM 1707 CE1 HIS A 111 1.907 16.102 8.717 1.00 0.00 C ATOM 1708 NE2 HIS A 111 0.722 16.680 8.631 1.00 0.00 N ATOM 0 H HIS A 111 2.207 18.679 2.834 1.00 0.00 H new ATOM 0 HA HIS A 111 0.340 18.505 5.123 1.00 0.00 H new ATOM 0 HB2 HIS A 111 2.095 16.547 4.683 1.00 0.00 H new ATOM 0 HB3 HIS A 111 3.230 17.697 5.361 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -0.256 17.808 7.024 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.287 15.564 9.573 1.00 0.00 H new ATOM 0 HE2 HIS A 111 0.014 16.693 9.365 1.00 0.00 H new ATOM 1716 N PHE A 112 1.418 20.459 6.266 1.00 0.00 N ATOM 1717 CA PHE A 112 1.895 21.735 6.786 1.00 0.00 C ATOM 1718 C PHE A 112 2.167 22.717 5.650 1.00 0.00 C ATOM 1719 O PHE A 112 3.227 23.340 5.593 1.00 0.00 O ATOM 1720 CB PHE A 112 3.166 21.531 7.613 1.00 0.00 C ATOM 1721 CG PHE A 112 2.910 20.932 8.967 1.00 0.00 C ATOM 1722 CD1 PHE A 112 2.349 19.670 9.086 1.00 0.00 C ATOM 1723 CD2 PHE A 112 3.229 21.631 10.119 1.00 0.00 C ATOM 1724 CE1 PHE A 112 2.112 19.116 10.330 1.00 0.00 C ATOM 1725 CE2 PHE A 112 2.996 21.082 11.366 1.00 0.00 C ATOM 1726 CZ PHE A 112 2.435 19.824 11.472 1.00 0.00 C ATOM 0 H PHE A 112 0.649 20.048 6.796 1.00 0.00 H new ATOM 0 HA PHE A 112 1.117 22.151 7.426 1.00 0.00 H new ATOM 0 HB2 PHE A 112 3.849 20.885 7.062 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.667 22.491 7.738 1.00 0.00 H new ATOM 0 HD1 PHE A 112 2.094 19.113 8.196 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.665 22.616 10.042 1.00 0.00 H new ATOM 0 HE1 PHE A 112 1.675 18.131 10.409 1.00 0.00 H new ATOM 0 HE2 PHE A 112 3.252 21.636 12.257 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.249 19.395 12.445 1.00 0.00 H new ATOM 1736 N HIS A 113 1.201 22.850 4.746 1.00 0.00 N ATOM 1737 CA HIS A 113 1.335 23.756 3.611 1.00 0.00 C ATOM 1738 C HIS A 113 2.650 23.515 2.876 1.00 0.00 C ATOM 1739 O HIS A 113 3.433 24.441 2.667 1.00 0.00 O ATOM 1740 CB HIS A 113 1.259 25.209 4.080 1.00 0.00 C ATOM 1741 CG HIS A 113 -0.116 25.632 4.498 1.00 0.00 C ATOM 1742 ND1 HIS A 113 -1.173 25.733 3.619 1.00 0.00 N ATOM 1743 CD2 HIS A 113 -0.604 25.980 5.712 1.00 0.00 C ATOM 1744 CE1 HIS A 113 -2.251 26.126 4.273 1.00 0.00 C ATOM 1745 NE2 HIS A 113 -1.933 26.282 5.545 1.00 0.00 N ATOM 0 H HIS A 113 0.317 22.342 4.778 1.00 0.00 H new ATOM 0 HA HIS A 113 0.513 23.561 2.923 1.00 0.00 H new ATOM 0 HB2 HIS A 113 1.943 25.348 4.917 1.00 0.00 H new ATOM 0 HB3 HIS A 113 1.602 25.860 3.276 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -0.051 26.014 6.639 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -3.227 26.292 3.841 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -2.571 26.579 6.284 1.00 0.00 H new ATOM 1753 N GLN A 114 2.884 22.266 2.487 1.00 0.00 N ATOM 1754 CA GLN A 114 4.105 21.904 1.776 1.00 0.00 C ATOM 1755 C GLN A 114 3.891 20.654 0.929 1.00 0.00 C ATOM 1756 O GLN A 114 2.911 19.930 1.108 1.00 0.00 O ATOM 1757 CB GLN A 114 5.247 21.673 2.767 1.00 0.00 C ATOM 1758 CG GLN A 114 5.898 22.958 3.255 1.00 0.00 C ATOM 1759 CD GLN A 114 6.303 23.875 2.118 1.00 0.00 C ATOM 1760 OE1 GLN A 114 6.726 23.417 1.056 1.00 0.00 O ATOM 1761 NE2 GLN A 114 6.175 25.179 2.335 1.00 0.00 N ATOM 0 H GLN A 114 2.245 21.488 2.652 1.00 0.00 H new ATOM 0 HA GLN A 114 4.369 22.729 1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 114 4.866 21.120 3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.005 21.048 2.296 1.00 0.00 H new ATOM 0 HG2 GLN A 114 5.206 23.484 3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 114 6.778 22.712 3.849 1.00 0.00 H new ATOM 0 HE21 GLN A 114 5.820 25.515 3.230 1.00 0.00 H new ATOM 0 HE22 GLN A 114 6.432 25.845 1.606 1.00 0.00 H new ATOM 1770 N SER A 115 4.814 20.407 0.005 1.00 0.00 N ATOM 1771 CA SER A 115 4.724 19.246 -0.874 1.00 0.00 C ATOM 1772 C SER A 115 5.595 18.105 -0.357 1.00 0.00 C ATOM 1773 O SER A 115 6.808 18.251 -0.212 1.00 0.00 O ATOM 1774 CB SER A 115 5.147 19.622 -2.295 1.00 0.00 C ATOM 1775 OG SER A 115 6.470 20.131 -2.316 1.00 0.00 O ATOM 0 H SER A 115 5.632 20.995 -0.155 1.00 0.00 H new ATOM 0 HA SER A 115 3.687 18.911 -0.888 1.00 0.00 H new ATOM 0 HB2 SER A 115 5.081 18.747 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 115 4.461 20.368 -2.697 1.00 0.00 H new ATOM 0 HG SER A 115 7.010 19.667 -1.642 1.00 0.00 H new ATOM 1781 N VAL A 116 4.965 16.967 -0.081 1.00 0.00 N ATOM 1782 CA VAL A 116 5.681 15.799 0.419 1.00 0.00 C ATOM 1783 C VAL A 116 5.606 14.643 -0.573 1.00 0.00 C ATOM 1784 O VAL A 116 4.542 14.060 -0.781 1.00 0.00 O ATOM 1785 CB VAL A 116 5.119 15.335 1.775 1.00 0.00 C ATOM 1786 CG1 VAL A 116 5.846 14.088 2.256 1.00 0.00 C ATOM 1787 CG2 VAL A 116 5.221 16.451 2.804 1.00 0.00 C ATOM 0 H VAL A 116 3.961 16.829 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 116 6.722 16.096 0.548 1.00 0.00 H new ATOM 0 HB VAL A 116 4.066 15.086 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 116 5.435 13.775 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 116 5.717 13.288 1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.908 14.307 2.370 1.00 0.00 H new ATOM 0 HG21 VAL A 116 4.819 16.106 3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.266 16.733 2.932 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.651 17.315 2.462 1.00 0.00 H new ATOM 1797 N GLN A 117 6.742 14.317 -1.180 1.00 0.00 N ATOM 1798 CA GLN A 117 6.805 13.230 -2.149 1.00 0.00 C ATOM 1799 C GLN A 117 7.906 12.239 -1.786 1.00 0.00 C ATOM 1800 O GLN A 117 9.092 12.538 -1.922 1.00 0.00 O ATOM 1801 CB GLN A 117 7.045 13.785 -3.555 1.00 0.00 C ATOM 1802 CG GLN A 117 7.230 12.707 -4.611 1.00 0.00 C ATOM 1803 CD GLN A 117 8.125 13.155 -5.750 1.00 0.00 C ATOM 1804 OE1 GLN A 117 7.978 14.260 -6.272 1.00 0.00 O ATOM 1805 NE2 GLN A 117 9.059 12.297 -6.142 1.00 0.00 N ATOM 0 H GLN A 117 7.631 14.790 -1.018 1.00 0.00 H new ATOM 0 HA GLN A 117 5.850 12.706 -2.131 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.202 14.417 -3.836 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.929 14.422 -3.539 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.657 11.818 -4.147 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.256 12.423 -5.009 1.00 0.00 H new ATOM 0 HE21 GLN A 117 9.145 11.391 -5.681 1.00 0.00 H new ATOM 0 HE22 GLN A 117 9.690 12.543 -6.904 1.00 0.00 H new ATOM 1814 N GLU A 118 7.505 11.059 -1.325 1.00 0.00 N ATOM 1815 CA GLU A 118 8.459 10.025 -0.941 1.00 0.00 C ATOM 1816 C GLU A 118 8.032 8.663 -1.482 1.00 0.00 C ATOM 1817 O GLU A 118 6.988 8.132 -1.103 1.00 0.00 O ATOM 1818 CB GLU A 118 8.592 9.962 0.582 1.00 0.00 C ATOM 1819 CG GLU A 118 8.919 11.301 1.220 1.00 0.00 C ATOM 1820 CD GLU A 118 8.412 11.408 2.645 1.00 0.00 C ATOM 1821 OE1 GLU A 118 7.178 11.444 2.835 1.00 0.00 O ATOM 1822 OE2 GLU A 118 9.249 11.455 3.571 1.00 0.00 O ATOM 0 H GLU A 118 6.527 10.795 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 118 9.427 10.281 -1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.660 9.586 1.004 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.372 9.246 0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.999 11.450 1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 118 8.482 12.101 0.622 1.00 0.00 H new ATOM 1829 N ILE A 119 8.847 8.104 -2.370 1.00 0.00 N ATOM 1830 CA ILE A 119 8.555 6.805 -2.963 1.00 0.00 C ATOM 1831 C ILE A 119 9.576 5.760 -2.527 1.00 0.00 C ATOM 1832 O ILE A 119 10.784 5.968 -2.649 1.00 0.00 O ATOM 1833 CB ILE A 119 8.538 6.879 -4.501 1.00 0.00 C ATOM 1834 CG1 ILE A 119 7.479 7.877 -4.974 1.00 0.00 C ATOM 1835 CG2 ILE A 119 8.279 5.503 -5.095 1.00 0.00 C ATOM 1836 CD1 ILE A 119 7.978 9.304 -5.037 1.00 0.00 C ATOM 0 H ILE A 119 9.715 8.530 -2.695 1.00 0.00 H new ATOM 0 HA ILE A 119 7.566 6.513 -2.611 1.00 0.00 H new ATOM 0 HB ILE A 119 9.514 7.223 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 119 7.127 7.580 -5.962 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.622 7.830 -4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.270 5.572 -6.183 1.00 0.00 H new ATOM 0 HG22 ILE A 119 9.066 4.817 -4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.315 5.132 -4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.174 9.956 -5.380 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.303 9.620 -4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.816 9.366 -5.731 1.00 0.00 H new ATOM 1848 N PHE A 120 9.084 4.635 -2.020 1.00 0.00 N ATOM 1849 CA PHE A 120 9.953 3.555 -1.567 1.00 0.00 C ATOM 1850 C PHE A 120 9.444 2.204 -2.058 1.00 0.00 C ATOM 1851 O PHE A 120 8.242 2.011 -2.242 1.00 0.00 O ATOM 1852 CB PHE A 120 10.045 3.554 -0.039 1.00 0.00 C ATOM 1853 CG PHE A 120 8.717 3.722 0.641 1.00 0.00 C ATOM 1854 CD1 PHE A 120 7.774 2.707 0.612 1.00 0.00 C ATOM 1855 CD2 PHE A 120 8.410 4.896 1.310 1.00 0.00 C ATOM 1856 CE1 PHE A 120 6.551 2.859 1.237 1.00 0.00 C ATOM 1857 CE2 PHE A 120 7.189 5.054 1.938 1.00 0.00 C ATOM 1858 CZ PHE A 120 6.258 4.034 1.900 1.00 0.00 C ATOM 0 H PHE A 120 8.087 4.447 -1.912 1.00 0.00 H new ATOM 0 HA PHE A 120 10.946 3.722 -1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 120 10.496 2.618 0.289 1.00 0.00 H new ATOM 0 HB3 PHE A 120 10.711 4.357 0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 120 7.998 1.786 0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 120 9.134 5.697 1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 120 5.825 2.060 1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.963 5.973 2.458 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.302 4.156 2.388 1.00 0.00 H new ATOM 1868 N GLU A 121 10.368 1.271 -2.270 1.00 0.00 N ATOM 1869 CA GLU A 121 10.012 -0.062 -2.742 1.00 0.00 C ATOM 1870 C GLU A 121 10.141 -1.088 -1.621 1.00 0.00 C ATOM 1871 O GLU A 121 11.174 -1.172 -0.956 1.00 0.00 O ATOM 1872 CB GLU A 121 10.901 -0.464 -3.921 1.00 0.00 C ATOM 1873 CG GLU A 121 10.796 0.476 -5.111 1.00 0.00 C ATOM 1874 CD GLU A 121 11.478 1.808 -4.864 1.00 0.00 C ATOM 1875 OE1 GLU A 121 12.722 1.827 -4.759 1.00 0.00 O ATOM 1876 OE2 GLU A 121 10.766 2.830 -4.777 1.00 0.00 O ATOM 0 H GLU A 121 11.367 1.414 -2.122 1.00 0.00 H new ATOM 0 HA GLU A 121 8.973 -0.038 -3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 121 11.938 -0.500 -3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 121 10.634 -1.471 -4.240 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.241 0.001 -5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 121 9.745 0.648 -5.342 1.00 0.00 H new ATOM 1883 N VAL A 122 9.084 -1.867 -1.415 1.00 0.00 N ATOM 1884 CA VAL A 122 9.078 -2.889 -0.375 1.00 0.00 C ATOM 1885 C VAL A 122 9.922 -4.092 -0.781 1.00 0.00 C ATOM 1886 O VAL A 122 9.552 -4.849 -1.677 1.00 0.00 O ATOM 1887 CB VAL A 122 7.646 -3.363 -0.062 1.00 0.00 C ATOM 1888 CG1 VAL A 122 7.661 -4.425 1.027 1.00 0.00 C ATOM 1889 CG2 VAL A 122 6.772 -2.186 0.342 1.00 0.00 C ATOM 0 H VAL A 122 8.220 -1.810 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 122 9.506 -2.434 0.518 1.00 0.00 H new ATOM 0 HB VAL A 122 7.224 -3.807 -0.963 1.00 0.00 H new ATOM 0 HG11 VAL A 122 6.641 -4.748 1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 122 8.251 -5.279 0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.102 -4.010 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.764 -2.539 0.559 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.189 -1.711 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 122 6.735 -1.463 -0.473 1.00 0.00 H new ATOM 1899 N ASN A 123 11.060 -4.261 -0.114 1.00 0.00 N ATOM 1900 CA ASN A 123 11.958 -5.372 -0.405 1.00 0.00 C ATOM 1901 C ASN A 123 11.991 -6.363 0.754 1.00 0.00 C ATOM 1902 O ASN A 123 12.789 -7.299 0.761 1.00 0.00 O ATOM 1903 CB ASN A 123 13.369 -4.854 -0.688 1.00 0.00 C ATOM 1904 CG ASN A 123 14.092 -4.427 0.575 1.00 0.00 C ATOM 1905 OD1 ASN A 123 13.825 -3.359 1.125 1.00 0.00 O ATOM 1906 ND2 ASN A 123 15.014 -5.262 1.040 1.00 0.00 N ATOM 0 H ASN A 123 11.381 -3.643 0.631 1.00 0.00 H new ATOM 0 HA ASN A 123 11.583 -5.887 -1.289 1.00 0.00 H new ATOM 0 HB2 ASN A 123 13.945 -5.632 -1.188 1.00 0.00 H new ATOM 0 HB3 ASN A 123 13.312 -4.009 -1.374 1.00 0.00 H new ATOM 0 HD21 ASN A 123 15.534 -5.028 1.886 1.00 0.00 H new ATOM 0 HD22 ASN A 123 15.202 -6.137 0.551 1.00 0.00 H new ATOM 1913 N ASN A 124 11.118 -6.150 1.733 1.00 0.00 N ATOM 1914 CA ASN A 124 11.047 -7.024 2.898 1.00 0.00 C ATOM 1915 C ASN A 124 9.714 -7.766 2.941 1.00 0.00 C ATOM 1916 O ASN A 124 9.239 -8.150 4.011 1.00 0.00 O ATOM 1917 CB ASN A 124 11.234 -6.214 4.182 1.00 0.00 C ATOM 1918 CG ASN A 124 11.757 -7.058 5.328 1.00 0.00 C ATOM 1919 OD1 ASN A 124 11.584 -8.371 5.223 1.00 0.00 O flip ATOM 1920 ND2 ASN A 124 12.311 -6.536 6.296 1.00 0.00 N flip ATOM 0 H ASN A 124 10.450 -5.379 1.743 1.00 0.00 H new ATOM 0 HA ASN A 124 11.849 -7.758 2.820 1.00 0.00 H new ATOM 0 HB2 ASN A 124 11.927 -5.394 3.993 1.00 0.00 H new ATOM 0 HB3 ASN A 124 10.282 -5.768 4.468 1.00 0.00 H new ATOM 0 HD21 ASN A 124 12.422 -5.523 6.335 1.00 0.00 H new ATOM 0 HD22 ASN A 124 12.659 -7.117 7.059 1.00 0.00 H new ATOM 1927 N LEU A 125 9.115 -7.964 1.772 1.00 0.00 N ATOM 1928 CA LEU A 125 7.837 -8.660 1.675 1.00 0.00 C ATOM 1929 C LEU A 125 7.920 -10.043 2.314 1.00 0.00 C ATOM 1930 O LEU A 125 8.971 -10.685 2.328 1.00 0.00 O ATOM 1931 CB LEU A 125 7.413 -8.787 0.211 1.00 0.00 C ATOM 1932 CG LEU A 125 7.155 -7.474 -0.529 1.00 0.00 C ATOM 1933 CD1 LEU A 125 7.388 -7.648 -2.022 1.00 0.00 C ATOM 1934 CD2 LEU A 125 5.740 -6.981 -0.263 1.00 0.00 C ATOM 0 H LEU A 125 9.494 -7.652 0.878 1.00 0.00 H new ATOM 0 HA LEU A 125 7.091 -8.075 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 125 8.187 -9.337 -0.324 1.00 0.00 H new ATOM 0 HB3 LEU A 125 6.506 -9.390 0.167 1.00 0.00 H new ATOM 0 HG LEU A 125 7.855 -6.726 -0.157 1.00 0.00 H new ATOM 0 HD11 LEU A 125 7.200 -6.703 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.419 -7.955 -2.196 1.00 0.00 H new ATOM 0 HD13 LEU A 125 6.712 -8.411 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.574 -6.046 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.024 -7.727 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.607 -6.816 0.806 1.00 0.00 H new ATOM 1946 N PRO A 126 6.787 -10.515 2.854 1.00 0.00 N ATOM 1947 CA PRO A 126 6.705 -11.828 3.501 1.00 0.00 C ATOM 1948 C PRO A 126 6.824 -12.975 2.503 1.00 0.00 C ATOM 1949 O PRO A 126 6.152 -12.985 1.472 1.00 0.00 O ATOM 1950 CB PRO A 126 5.316 -11.820 4.145 1.00 0.00 C ATOM 1951 CG PRO A 126 4.526 -10.858 3.327 1.00 0.00 C ATOM 1952 CD PRO A 126 5.498 -9.804 2.872 1.00 0.00 C ATOM 0 HA PRO A 126 7.518 -11.984 4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 126 4.867 -12.813 4.131 1.00 0.00 H new ATOM 0 HB3 PRO A 126 5.365 -11.507 5.188 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.065 -11.357 2.475 1.00 0.00 H new ATOM 0 HG3 PRO A 126 3.719 -10.418 3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 126 5.239 -9.417 1.887 1.00 0.00 H new ATOM 0 HD3 PRO A 126 5.517 -8.954 3.554 1.00 0.00 H new ATOM 1960 N VAL A 127 7.682 -13.940 2.818 1.00 0.00 N ATOM 1961 CA VAL A 127 7.887 -15.093 1.949 1.00 0.00 C ATOM 1962 C VAL A 127 6.724 -16.074 2.054 1.00 0.00 C ATOM 1963 O VAL A 127 6.584 -16.975 1.228 1.00 0.00 O ATOM 1964 CB VAL A 127 9.196 -15.828 2.292 1.00 0.00 C ATOM 1965 CG1 VAL A 127 10.400 -14.997 1.877 1.00 0.00 C ATOM 1966 CG2 VAL A 127 9.250 -16.156 3.777 1.00 0.00 C ATOM 0 H VAL A 127 8.246 -13.946 3.668 1.00 0.00 H new ATOM 0 HA VAL A 127 7.948 -14.714 0.929 1.00 0.00 H new ATOM 0 HB VAL A 127 9.222 -16.765 1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 127 11.316 -15.533 2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 127 10.366 -14.819 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 127 10.382 -14.043 2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 127 10.182 -16.675 4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 127 9.200 -15.233 4.355 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.407 -16.795 4.039 1.00 0.00 H new ATOM 1976 N GLU A 128 5.892 -15.891 3.075 1.00 0.00 N ATOM 1977 CA GLU A 128 4.741 -16.760 3.287 1.00 0.00 C ATOM 1978 C GLU A 128 3.752 -16.645 2.131 1.00 0.00 C ATOM 1979 O GLU A 128 2.855 -17.475 1.982 1.00 0.00 O ATOM 1980 CB GLU A 128 4.046 -16.410 4.604 1.00 0.00 C ATOM 1981 CG GLU A 128 4.788 -16.905 5.834 1.00 0.00 C ATOM 1982 CD GLU A 128 5.160 -18.371 5.741 1.00 0.00 C ATOM 1983 OE1 GLU A 128 4.315 -19.171 5.288 1.00 0.00 O ATOM 1984 OE2 GLU A 128 6.298 -18.720 6.121 1.00 0.00 O ATOM 0 H GLU A 128 5.994 -15.149 3.768 1.00 0.00 H new ATOM 0 HA GLU A 128 5.099 -17.789 3.335 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.933 -15.328 4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.042 -16.835 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 128 5.693 -16.313 5.971 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.167 -16.747 6.716 1.00 0.00 H new ATOM 1991 N SER A 129 3.921 -15.609 1.316 1.00 0.00 N ATOM 1992 CA SER A 129 3.041 -15.382 0.175 1.00 0.00 C ATOM 1993 C SER A 129 3.265 -16.438 -0.902 1.00 0.00 C ATOM 1994 O SER A 129 2.318 -16.904 -1.537 1.00 0.00 O ATOM 1995 CB SER A 129 3.276 -13.986 -0.406 1.00 0.00 C ATOM 1996 OG SER A 129 4.458 -13.951 -1.187 1.00 0.00 O ATOM 0 H SER A 129 4.659 -14.913 1.424 1.00 0.00 H new ATOM 0 HA SER A 129 2.010 -15.455 0.521 1.00 0.00 H new ATOM 0 HB2 SER A 129 2.423 -13.695 -1.019 1.00 0.00 H new ATOM 0 HB3 SER A 129 3.349 -13.259 0.403 1.00 0.00 H new ATOM 0 HG SER A 129 4.585 -13.049 -1.548 1.00 0.00 H new ATOM 2002 N TRP A 130 4.523 -16.812 -1.103 1.00 0.00 N ATOM 2003 CA TRP A 130 4.872 -17.814 -2.104 1.00 0.00 C ATOM 2004 C TRP A 130 5.234 -19.140 -1.444 1.00 0.00 C ATOM 2005 O TRP A 130 4.769 -20.199 -1.864 1.00 0.00 O ATOM 2006 CB TRP A 130 6.039 -17.322 -2.962 1.00 0.00 C ATOM 2007 CG TRP A 130 7.268 -17.000 -2.167 1.00 0.00 C ATOM 2008 CD1 TRP A 130 7.616 -15.784 -1.653 1.00 0.00 C ATOM 2009 CD2 TRP A 130 8.310 -17.909 -1.795 1.00 0.00 C ATOM 2010 NE1 TRP A 130 8.813 -15.881 -0.985 1.00 0.00 N ATOM 2011 CE2 TRP A 130 9.259 -17.174 -1.057 1.00 0.00 C ATOM 2012 CE3 TRP A 130 8.534 -19.271 -2.013 1.00 0.00 C ATOM 2013 CZ2 TRP A 130 10.412 -17.758 -0.538 1.00 0.00 C ATOM 2014 CZ3 TRP A 130 9.679 -19.848 -1.498 1.00 0.00 C ATOM 2015 CH2 TRP A 130 10.605 -19.093 -0.766 1.00 0.00 C ATOM 0 H TRP A 130 5.319 -16.437 -0.586 1.00 0.00 H new ATOM 0 HA TRP A 130 4.002 -17.973 -2.742 1.00 0.00 H new ATOM 0 HB2 TRP A 130 6.283 -18.084 -3.702 1.00 0.00 H new ATOM 0 HB3 TRP A 130 5.727 -16.433 -3.511 1.00 0.00 H new ATOM 0 HD1 TRP A 130 7.036 -14.879 -1.756 1.00 0.00 H new ATOM 0 HE1 TRP A 130 9.292 -15.114 -0.512 1.00 0.00 H new ATOM 0 HE3 TRP A 130 7.825 -19.862 -2.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 11.128 -17.178 0.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 9.863 -20.899 -1.663 1.00 0.00 H new ATOM 0 HH2 TRP A 130 11.489 -19.575 -0.374 1.00 0.00 H new ATOM 2026 N GLN A 131 6.066 -19.073 -0.410 1.00 0.00 N ATOM 2027 CA GLN A 131 6.489 -20.270 0.307 1.00 0.00 C ATOM 2028 C GLN A 131 5.300 -20.956 0.972 1.00 0.00 C ATOM 2029 O GLN A 131 4.278 -20.325 1.244 1.00 0.00 O ATOM 2030 CB GLN A 131 7.542 -19.915 1.359 1.00 0.00 C ATOM 2031 CG GLN A 131 8.428 -21.085 1.753 1.00 0.00 C ATOM 2032 CD GLN A 131 9.435 -20.720 2.826 1.00 0.00 C ATOM 2033 OE1 GLN A 131 9.194 -20.927 4.016 1.00 0.00 O ATOM 2034 NE2 GLN A 131 10.571 -20.172 2.410 1.00 0.00 N ATOM 0 H GLN A 131 6.460 -18.204 -0.050 1.00 0.00 H new ATOM 0 HA GLN A 131 6.925 -20.960 -0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 131 8.168 -19.109 0.976 1.00 0.00 H new ATOM 0 HB3 GLN A 131 7.040 -19.534 2.249 1.00 0.00 H new ATOM 0 HG2 GLN A 131 7.804 -21.904 2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 131 8.957 -21.448 0.872 1.00 0.00 H new ATOM 0 HE21 GLN A 131 10.729 -20.019 1.414 1.00 0.00 H new ATOM 0 HE22 GLN A 131 11.286 -19.904 3.087 1.00 0.00 H new