USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 887 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 70 LYS NZ :NH3+ 165:sc= -1.23 (180deg=1.19) USER MOD Set 1.2: A 81 GLN : amide:sc= -1.97 K(o=-3.2,f=-1.9!) USER MOD Set 2.1: A 44 SER OG : rot 48:sc= 1.01 USER MOD Set 2.2: A 59 HIS : no HD1:sc= 0.191 K(o=1.4,f=-1.7) USER MOD Set 2.3: A 67 SER OG : rot -168:sc= 0.159 USER MOD Set 3.1: A 32 CYS SG : rot 151:sc= -0.365 USER MOD Set 3.2: A 35 CYS SG : rot -53:sc= -1.75! USER MOD Set 3.3: A 52 CYS SG : rot -127:sc= 1.62 USER MOD Set 3.4: A 55 CYS SG : rot 85:sc= -0.435 USER MOD Single : A 16 HIS : no HD1:sc= -1.98 K(o=-2,f=-0.74) USER MOD Single : A 17 GLN : amide:sc= -0.0414 X(o=-0.041,f=0.17) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.03 K(o=-2,f=-7.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.48 K(o=-2.5,f=-1.3) USER MOD Single : A 61 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.5!) USER MOD Single : A 65 HIS : no HD1:sc= -1.51! C(o=-1.5!,f=-2.9!) USER MOD Single : A 71 SER OG : rot 31:sc= -0.251 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.18) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0653 X(o=-0.065,f=0) USER MOD Single : A 84 CYS SG : rot 84:sc= 0.011 USER MOD Single : A 85 MET CE :methyl -173:sc= -1.73 (180deg=-1.75) USER MOD Single : A 86 GLN : amide:sc= -8.04! C(o=-8!,f=-11!) USER MOD Single : A 88 MET CE :methyl 138:sc= -0.307 (180deg=-1.16) USER MOD Single : A 90 ASN : amide:sc= -0.354 K(o=-0.35,f=-5.6!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00307) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.759 K(o=-0.76,f=-0.056) USER MOD Single : A 109 GLN : amide:sc= -0.0632 X(o=-0.063,f=0) USER MOD Single : A 110 THR OG1 : rot 180:sc=-0.00306 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 149:sc= -0.28 (180deg=-1.83!) USER MOD Single : A 122 TYR OH : rot 20:sc= 0.00263 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 157:sc= -0.0766 (180deg=-0.549) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 202 N HIS A 16 -10.361 -1.951 7.793 1.00 0.00 N ATOM 203 CA HIS A 16 -8.924 -1.726 7.680 1.00 0.00 C ATOM 204 C HIS A 16 -8.155 -3.035 7.827 1.00 0.00 C ATOM 205 O HIS A 16 -7.319 -3.372 6.989 1.00 0.00 O ATOM 206 CB HIS A 16 -8.458 -0.726 8.739 1.00 0.00 C ATOM 207 CG HIS A 16 -9.086 0.627 8.603 1.00 0.00 C ATOM 208 ND1 HIS A 16 -8.547 1.767 9.161 1.00 0.00 N ATOM 209 CD2 HIS A 16 -10.213 1.020 7.964 1.00 0.00 C ATOM 210 CE1 HIS A 16 -9.316 2.802 8.874 1.00 0.00 C ATOM 211 NE2 HIS A 16 -10.334 2.375 8.148 1.00 0.00 N ATOM 0 HA HIS A 16 -8.723 -1.316 6.690 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.684 -1.125 9.728 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.375 -0.622 8.677 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.891 0.386 7.412 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -9.142 3.823 9.180 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.088 2.958 7.783 1.00 0.00 H new ATOM 219 N GLN A 17 -8.445 -3.769 8.898 1.00 0.00 N ATOM 220 CA GLN A 17 -7.779 -5.040 9.154 1.00 0.00 C ATOM 221 C GLN A 17 -8.038 -6.029 8.021 1.00 0.00 C ATOM 222 O GLN A 17 -7.111 -6.455 7.331 1.00 0.00 O ATOM 223 CB GLN A 17 -8.257 -5.631 10.482 1.00 0.00 C ATOM 224 CG GLN A 17 -8.008 -4.725 11.676 1.00 0.00 C ATOM 225 CD GLN A 17 -6.657 -4.965 12.320 1.00 0.00 C ATOM 226 OE1 GLN A 17 -6.539 -5.736 13.272 1.00 0.00 O ATOM 227 NE2 GLN A 17 -5.628 -4.304 11.802 1.00 0.00 N ATOM 0 H GLN A 17 -9.136 -3.505 9.601 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.706 -4.855 9.211 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.324 -5.842 10.413 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.754 -6.584 10.648 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.075 -3.685 11.358 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.792 -4.883 12.416 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.772 -3.675 11.012 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.694 -4.426 12.194 1.00 0.00 H new ATOM 236 N LEU A 18 -9.303 -6.389 7.836 1.00 0.00 N ATOM 237 CA LEU A 18 -9.684 -7.328 6.786 1.00 0.00 C ATOM 238 C LEU A 18 -8.992 -6.985 5.471 1.00 0.00 C ATOM 239 O LEU A 18 -8.292 -7.816 4.892 1.00 0.00 O ATOM 240 CB LEU A 18 -11.202 -7.320 6.594 1.00 0.00 C ATOM 241 CG LEU A 18 -11.765 -8.383 5.650 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.868 -9.725 6.358 1.00 0.00 C ATOM 243 CD2 LEU A 18 -13.123 -7.955 5.114 1.00 0.00 C ATOM 0 H LEU A 18 -10.082 -6.046 8.398 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.368 -8.325 7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.672 -7.444 7.570 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.496 -6.339 6.221 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.082 -8.492 4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.271 -10.469 5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.878 -10.037 6.692 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.529 -9.632 7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.508 -8.724 4.444 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.815 -7.817 5.945 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.020 -7.017 4.569 1.00 0.00 H new ATOM 255 N ILE A 19 -9.192 -5.756 5.006 1.00 0.00 N ATOM 256 CA ILE A 19 -8.584 -5.303 3.761 1.00 0.00 C ATOM 257 C ILE A 19 -7.100 -5.652 3.715 1.00 0.00 C ATOM 258 O ILE A 19 -6.630 -6.285 2.769 1.00 0.00 O ATOM 259 CB ILE A 19 -8.749 -3.783 3.576 1.00 0.00 C ATOM 260 CG1 ILE A 19 -10.230 -3.418 3.467 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.990 -3.315 2.342 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.552 -2.036 3.991 1.00 0.00 C ATOM 0 H ILE A 19 -9.770 -5.057 5.472 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.101 -5.818 2.951 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.334 -3.278 4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.536 -3.482 2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.818 -4.152 4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.116 -2.239 2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.931 -3.546 2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.379 -3.825 1.461 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.620 -1.845 3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.278 -1.973 5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.991 -1.292 3.425 1.00 0.00 H new ATOM 274 N LEU A 20 -6.368 -5.237 4.742 1.00 0.00 N ATOM 275 CA LEU A 20 -4.937 -5.507 4.820 1.00 0.00 C ATOM 276 C LEU A 20 -4.633 -6.951 4.433 1.00 0.00 C ATOM 277 O LEU A 20 -3.694 -7.219 3.684 1.00 0.00 O ATOM 278 CB LEU A 20 -4.421 -5.226 6.233 1.00 0.00 C ATOM 279 CG LEU A 20 -4.350 -3.755 6.642 1.00 0.00 C ATOM 280 CD1 LEU A 20 -4.318 -3.622 8.156 1.00 0.00 C ATOM 281 CD2 LEU A 20 -3.133 -3.086 6.020 1.00 0.00 C ATOM 0 H LEU A 20 -6.742 -4.712 5.533 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.429 -4.847 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.062 -5.749 6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.424 -5.657 6.326 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.244 -3.252 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.267 -2.568 8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.221 -4.063 8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.443 -4.140 8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.099 -2.039 6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.228 -3.591 6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.199 -3.148 4.934 1.00 0.00 H new ATOM 293 N SER A 21 -5.435 -7.877 4.948 1.00 0.00 N ATOM 294 CA SER A 21 -5.252 -9.294 4.658 1.00 0.00 C ATOM 295 C SER A 21 -5.498 -9.582 3.180 1.00 0.00 C ATOM 296 O SER A 21 -4.796 -10.387 2.566 1.00 0.00 O ATOM 297 CB SER A 21 -6.194 -10.139 5.517 1.00 0.00 C ATOM 298 OG SER A 21 -5.681 -10.301 6.828 1.00 0.00 O ATOM 0 H SER A 21 -6.218 -7.671 5.568 1.00 0.00 H new ATOM 0 HA SER A 21 -4.221 -9.557 4.896 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.174 -9.664 5.563 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.335 -11.116 5.055 1.00 0.00 H new ATOM 0 HG SER A 21 -6.302 -10.843 7.358 1.00 0.00 H new ATOM 304 N LYS A 22 -6.500 -8.919 2.613 1.00 0.00 N ATOM 305 CA LYS A 22 -6.840 -9.101 1.207 1.00 0.00 C ATOM 306 C LYS A 22 -5.682 -8.679 0.308 1.00 0.00 C ATOM 307 O LYS A 22 -5.430 -9.297 -0.727 1.00 0.00 O ATOM 308 CB LYS A 22 -8.092 -8.294 0.856 1.00 0.00 C ATOM 309 CG LYS A 22 -9.385 -9.076 1.016 1.00 0.00 C ATOM 310 CD LYS A 22 -9.893 -9.024 2.447 1.00 0.00 C ATOM 311 CE LYS A 22 -10.730 -10.249 2.786 1.00 0.00 C ATOM 312 NZ LYS A 22 -12.016 -10.266 2.036 1.00 0.00 N ATOM 0 H LYS A 22 -7.091 -8.250 3.106 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.039 -10.160 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.132 -7.408 1.490 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.013 -7.946 -0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.142 -8.671 0.345 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.223 -10.113 0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.048 -8.958 3.132 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.490 -8.123 2.590 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.163 -11.151 2.556 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.934 -10.265 3.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.557 -11.116 2.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.568 -9.418 2.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.822 -10.277 1.014 1.00 0.00 H new ATOM 326 N LEU A 23 -4.980 -7.626 0.710 1.00 0.00 N ATOM 327 CA LEU A 23 -3.847 -7.123 -0.059 1.00 0.00 C ATOM 328 C LEU A 23 -2.712 -8.141 -0.085 1.00 0.00 C ATOM 329 O LEU A 23 -2.125 -8.405 -1.135 1.00 0.00 O ATOM 330 CB LEU A 23 -3.350 -5.803 0.533 1.00 0.00 C ATOM 331 CG LEU A 23 -4.418 -4.741 0.797 1.00 0.00 C ATOM 332 CD1 LEU A 23 -3.824 -3.564 1.556 1.00 0.00 C ATOM 333 CD2 LEU A 23 -5.042 -4.275 -0.510 1.00 0.00 C ATOM 0 H LEU A 23 -5.175 -7.104 1.564 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.181 -6.952 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.840 -6.018 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.607 -5.382 -0.144 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.201 -5.186 1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.599 -2.818 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.426 -3.910 2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.021 -3.119 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.800 -3.519 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.270 -3.848 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.504 -5.123 -1.015 1.00 0.00 H new ATOM 345 N LEU A 24 -2.410 -8.712 1.076 1.00 0.00 N ATOM 346 CA LEU A 24 -1.346 -9.704 1.186 1.00 0.00 C ATOM 347 C LEU A 24 -1.630 -10.909 0.294 1.00 0.00 C ATOM 348 O LEU A 24 -0.759 -11.365 -0.446 1.00 0.00 O ATOM 349 CB LEU A 24 -1.191 -10.156 2.639 1.00 0.00 C ATOM 350 CG LEU A 24 -0.406 -9.216 3.554 1.00 0.00 C ATOM 351 CD1 LEU A 24 -0.487 -9.686 4.998 1.00 0.00 C ATOM 352 CD2 LEU A 24 1.044 -9.121 3.103 1.00 0.00 C ATOM 0 H LEU A 24 -2.886 -8.505 1.954 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.416 -9.241 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.185 -10.297 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.701 -11.130 2.645 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.851 -8.223 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.078 -9.005 5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.529 -9.702 5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.068 -10.689 5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.588 -8.448 3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.501 -10.110 3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.084 -8.737 2.084 1.00 0.00 H new ATOM 364 N ARG A 25 -2.856 -11.418 0.369 1.00 0.00 N ATOM 365 CA ARG A 25 -3.255 -12.569 -0.431 1.00 0.00 C ATOM 366 C ARG A 25 -2.768 -12.425 -1.870 1.00 0.00 C ATOM 367 O ARG A 25 -2.327 -13.396 -2.485 1.00 0.00 O ATOM 368 CB ARG A 25 -4.777 -12.728 -0.410 1.00 0.00 C ATOM 369 CG ARG A 25 -5.284 -13.578 0.743 1.00 0.00 C ATOM 370 CD ARG A 25 -6.804 -13.622 0.776 1.00 0.00 C ATOM 371 NE ARG A 25 -7.345 -14.567 -0.199 1.00 0.00 N ATOM 372 CZ ARG A 25 -7.576 -14.259 -1.470 1.00 0.00 C ATOM 373 NH1 ARG A 25 -7.315 -13.039 -1.919 1.00 0.00 N ATOM 374 NH2 ARG A 25 -8.069 -15.173 -2.296 1.00 0.00 N ATOM 0 H ARG A 25 -3.589 -11.051 0.976 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.797 -13.458 0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.236 -11.741 -0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.100 -13.176 -1.350 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.891 -14.591 0.650 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.910 -13.176 1.685 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.137 -13.902 1.775 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.200 -12.627 0.575 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.557 -15.515 0.114 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.936 -12.334 -1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.494 -12.806 -2.896 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.271 -16.113 -1.955 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.246 -14.936 -3.272 1.00 0.00 H new ATOM 388 N GLU A 26 -2.852 -11.209 -2.400 1.00 0.00 N ATOM 389 CA GLU A 26 -2.421 -10.940 -3.766 1.00 0.00 C ATOM 390 C GLU A 26 -0.954 -11.318 -3.959 1.00 0.00 C ATOM 391 O GLU A 26 -0.114 -11.038 -3.104 1.00 0.00 O ATOM 392 CB GLU A 26 -2.627 -9.463 -4.109 1.00 0.00 C ATOM 393 CG GLU A 26 -4.081 -9.025 -4.060 1.00 0.00 C ATOM 394 CD GLU A 26 -4.880 -9.521 -5.250 1.00 0.00 C ATOM 395 OE1 GLU A 26 -4.501 -10.563 -5.825 1.00 0.00 O ATOM 396 OE2 GLU A 26 -5.884 -8.869 -5.605 1.00 0.00 O ATOM 0 H GLU A 26 -3.215 -10.395 -1.904 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.027 -11.549 -4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.049 -8.853 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.232 -9.272 -5.107 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.537 -9.394 -3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.128 -7.937 -4.024 1.00 0.00 H new ATOM 403 N GLU A 27 -0.656 -11.955 -5.087 1.00 0.00 N ATOM 404 CA GLU A 27 0.707 -12.372 -5.390 1.00 0.00 C ATOM 405 C GLU A 27 1.674 -11.197 -5.274 1.00 0.00 C ATOM 406 O GLU A 27 2.833 -11.368 -4.896 1.00 0.00 O ATOM 407 CB GLU A 27 0.781 -12.970 -6.796 1.00 0.00 C ATOM 408 CG GLU A 27 2.123 -13.604 -7.119 1.00 0.00 C ATOM 409 CD GLU A 27 2.211 -14.086 -8.554 1.00 0.00 C ATOM 410 OE1 GLU A 27 2.150 -13.237 -9.469 1.00 0.00 O ATOM 411 OE2 GLU A 27 2.340 -15.310 -8.763 1.00 0.00 O ATOM 0 H GLU A 27 -1.340 -12.193 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 27 0.996 -13.132 -4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.001 -13.721 -6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.574 -12.187 -7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.916 -12.880 -6.934 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.295 -14.444 -6.446 1.00 0.00 H new ATOM 418 N ASP A 28 1.189 -10.005 -5.603 1.00 0.00 N ATOM 419 CA ASP A 28 2.009 -8.801 -5.537 1.00 0.00 C ATOM 420 C ASP A 28 2.475 -8.539 -4.108 1.00 0.00 C ATOM 421 O ASP A 28 3.500 -7.896 -3.887 1.00 0.00 O ATOM 422 CB ASP A 28 1.226 -7.595 -6.059 1.00 0.00 C ATOM 423 CG ASP A 28 -0.257 -7.694 -5.760 1.00 0.00 C ATOM 424 OD1 ASP A 28 -0.652 -7.384 -4.616 1.00 0.00 O ATOM 425 OD2 ASP A 28 -1.022 -8.081 -6.668 1.00 0.00 O ATOM 0 H ASP A 28 0.232 -9.847 -5.918 1.00 0.00 H new ATOM 0 HA ASP A 28 2.887 -8.954 -6.165 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.624 -6.685 -5.610 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.372 -7.509 -7.136 1.00 0.00 H new ATOM 430 N ASN A 29 1.714 -9.042 -3.141 1.00 0.00 N ATOM 431 CA ASN A 29 2.048 -8.862 -1.733 1.00 0.00 C ATOM 432 C ASN A 29 2.171 -10.208 -1.026 1.00 0.00 C ATOM 433 O ASN A 29 1.938 -10.313 0.178 1.00 0.00 O ATOM 434 CB ASN A 29 0.985 -8.005 -1.041 1.00 0.00 C ATOM 435 CG ASN A 29 0.695 -6.722 -1.796 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.361 -6.405 -2.782 1.00 0.00 O ATOM 437 ND2 ASN A 29 -0.302 -5.977 -1.334 1.00 0.00 N ATOM 0 H ASN A 29 0.862 -9.577 -3.307 1.00 0.00 H new ATOM 0 HA ASN A 29 3.010 -8.353 -1.676 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.065 -8.581 -0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.318 -7.762 -0.032 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.543 -5.102 -1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.827 -6.279 -0.513 1.00 0.00 H new ATOM 444 N LYS A 30 2.541 -11.236 -1.783 1.00 0.00 N ATOM 445 CA LYS A 30 2.698 -12.576 -1.231 1.00 0.00 C ATOM 446 C LYS A 30 4.070 -12.741 -0.585 1.00 0.00 C ATOM 447 O LYS A 30 4.253 -13.575 0.302 1.00 0.00 O ATOM 448 CB LYS A 30 2.508 -13.627 -2.327 1.00 0.00 C ATOM 449 CG LYS A 30 1.082 -14.135 -2.442 1.00 0.00 C ATOM 450 CD LYS A 30 0.746 -15.113 -1.328 1.00 0.00 C ATOM 451 CE LYS A 30 0.136 -14.405 -0.129 1.00 0.00 C ATOM 452 NZ LYS A 30 -0.803 -15.287 0.618 1.00 0.00 N ATOM 0 H LYS A 30 2.738 -11.166 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 30 1.936 -12.718 -0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.811 -13.201 -3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.170 -14.470 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.391 -13.293 -2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.945 -14.621 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.050 -15.865 -1.700 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.649 -15.639 -1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.930 -14.072 0.539 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.393 -13.513 -0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.197 -14.767 1.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.575 -15.584 -0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.293 -16.126 0.960 1.00 0.00 H new ATOM 466 N TYR A 31 5.030 -11.941 -1.035 1.00 0.00 N ATOM 467 CA TYR A 31 6.386 -11.999 -0.501 1.00 0.00 C ATOM 468 C TYR A 31 6.900 -10.603 -0.165 1.00 0.00 C ATOM 469 O TYR A 31 6.402 -9.603 -0.684 1.00 0.00 O ATOM 470 CB TYR A 31 7.323 -12.671 -1.506 1.00 0.00 C ATOM 471 CG TYR A 31 6.749 -13.925 -2.125 1.00 0.00 C ATOM 472 CD1 TYR A 31 5.908 -13.857 -3.229 1.00 0.00 C ATOM 473 CD2 TYR A 31 7.048 -15.179 -1.606 1.00 0.00 C ATOM 474 CE1 TYR A 31 5.380 -15.000 -3.797 1.00 0.00 C ATOM 475 CE2 TYR A 31 6.526 -16.328 -2.169 1.00 0.00 C ATOM 476 CZ TYR A 31 5.692 -16.233 -3.264 1.00 0.00 C ATOM 477 OH TYR A 31 5.170 -17.375 -3.828 1.00 0.00 O ATOM 0 H TYR A 31 4.895 -11.245 -1.768 1.00 0.00 H new ATOM 0 HA TYR A 31 6.363 -12.588 0.416 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.561 -11.961 -2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.260 -12.918 -1.007 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.663 -12.893 -3.650 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.699 -15.257 -0.748 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.726 -14.928 -4.654 1.00 0.00 H new ATOM 0 HE2 TYR A 31 6.770 -17.295 -1.754 1.00 0.00 H new ATOM 0 HH TYR A 31 5.489 -18.159 -3.334 1.00 0.00 H new ATOM 487 N CYS A 32 7.899 -10.542 0.708 1.00 0.00 N ATOM 488 CA CYS A 32 8.483 -9.269 1.116 1.00 0.00 C ATOM 489 C CYS A 32 8.760 -8.385 -0.096 1.00 0.00 C ATOM 490 O CYS A 32 8.796 -8.861 -1.230 1.00 0.00 O ATOM 491 CB CYS A 32 9.778 -9.505 1.895 1.00 0.00 C ATOM 492 SG CYS A 32 10.395 -8.033 2.773 1.00 0.00 S ATOM 0 H CYS A 32 8.322 -11.360 1.147 1.00 0.00 H new ATOM 0 HA CYS A 32 7.767 -8.759 1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.614 -10.304 2.618 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.547 -9.852 1.205 1.00 0.00 H new ATOM 0 HG CYS A 32 11.056 -8.403 3.830 1.00 0.00 H new ATOM 497 N ALA A 33 8.955 -7.094 0.152 1.00 0.00 N ATOM 498 CA ALA A 33 9.230 -6.143 -0.917 1.00 0.00 C ATOM 499 C ALA A 33 10.729 -5.909 -1.071 1.00 0.00 C ATOM 500 O ALA A 33 11.157 -5.046 -1.839 1.00 0.00 O ATOM 501 CB ALA A 33 8.513 -4.827 -0.652 1.00 0.00 C ATOM 0 H ALA A 33 8.927 -6.683 1.085 1.00 0.00 H new ATOM 0 HA ALA A 33 8.856 -6.565 -1.850 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.728 -4.127 -1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.438 -5.002 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.858 -4.408 0.293 1.00 0.00 H new ATOM 507 N ASP A 34 11.522 -6.681 -0.337 1.00 0.00 N ATOM 508 CA ASP A 34 12.974 -6.558 -0.392 1.00 0.00 C ATOM 509 C ASP A 34 13.632 -7.930 -0.497 1.00 0.00 C ATOM 510 O ASP A 34 14.404 -8.191 -1.420 1.00 0.00 O ATOM 511 CB ASP A 34 13.492 -5.824 0.846 1.00 0.00 C ATOM 512 CG ASP A 34 12.679 -4.586 1.167 1.00 0.00 C ATOM 513 OD1 ASP A 34 12.528 -3.726 0.274 1.00 0.00 O ATOM 514 OD2 ASP A 34 12.192 -4.477 2.312 1.00 0.00 O ATOM 0 H ASP A 34 11.184 -7.399 0.304 1.00 0.00 H new ATOM 0 HA ASP A 34 13.232 -5.982 -1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.472 -6.500 1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.533 -5.541 0.688 1.00 0.00 H new ATOM 519 N CYS A 35 13.323 -8.804 0.455 1.00 0.00 N ATOM 520 CA CYS A 35 13.884 -10.149 0.471 1.00 0.00 C ATOM 521 C CYS A 35 12.883 -11.163 -0.075 1.00 0.00 C ATOM 522 O CYS A 35 13.145 -12.366 -0.084 1.00 0.00 O ATOM 523 CB CYS A 35 14.294 -10.536 1.893 1.00 0.00 C ATOM 524 SG CYS A 35 12.891 -10.858 3.010 1.00 0.00 S ATOM 0 H CYS A 35 12.686 -8.604 1.226 1.00 0.00 H new ATOM 0 HA CYS A 35 14.766 -10.155 -0.169 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.921 -11.426 1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.904 -9.737 2.314 1.00 0.00 H new ATOM 0 HG CYS A 35 12.078 -9.844 2.989 1.00 0.00 H new ATOM 529 N GLU A 36 11.737 -10.668 -0.531 1.00 0.00 N ATOM 530 CA GLU A 36 10.697 -11.531 -1.078 1.00 0.00 C ATOM 531 C GLU A 36 10.503 -12.769 -0.207 1.00 0.00 C ATOM 532 O GLU A 36 10.267 -13.866 -0.712 1.00 0.00 O ATOM 533 CB GLU A 36 11.050 -11.950 -2.507 1.00 0.00 C ATOM 534 CG GLU A 36 11.179 -10.781 -3.469 1.00 0.00 C ATOM 535 CD GLU A 36 9.852 -10.100 -3.740 1.00 0.00 C ATOM 536 OE1 GLU A 36 8.816 -10.797 -3.742 1.00 0.00 O ATOM 537 OE2 GLU A 36 9.850 -8.868 -3.949 1.00 0.00 O ATOM 0 H GLU A 36 11.505 -9.675 -0.533 1.00 0.00 H new ATOM 0 HA GLU A 36 9.764 -10.968 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.989 -12.504 -2.493 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.284 -12.631 -2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.880 -10.053 -3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.601 -11.134 -4.410 1.00 0.00 H new ATOM 544 N ALA A 37 10.604 -12.584 1.105 1.00 0.00 N ATOM 545 CA ALA A 37 10.438 -13.684 2.047 1.00 0.00 C ATOM 546 C ALA A 37 9.099 -14.383 1.844 1.00 0.00 C ATOM 547 O ALA A 37 8.294 -13.975 1.007 1.00 0.00 O ATOM 548 CB ALA A 37 10.561 -13.178 3.477 1.00 0.00 C ATOM 0 H ALA A 37 10.800 -11.682 1.540 1.00 0.00 H new ATOM 0 HA ALA A 37 11.229 -14.411 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.435 -14.010 4.170 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.545 -12.731 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.792 -12.429 3.665 1.00 0.00 H new ATOM 554 N LYS A 38 8.866 -15.440 2.615 1.00 0.00 N ATOM 555 CA LYS A 38 7.623 -16.197 2.521 1.00 0.00 C ATOM 556 C LYS A 38 6.709 -15.890 3.703 1.00 0.00 C ATOM 557 O LYS A 38 6.858 -16.464 4.781 1.00 0.00 O ATOM 558 CB LYS A 38 7.919 -17.698 2.468 1.00 0.00 C ATOM 559 CG LYS A 38 8.078 -18.236 1.057 1.00 0.00 C ATOM 560 CD LYS A 38 7.901 -19.745 1.012 1.00 0.00 C ATOM 561 CE LYS A 38 6.430 -20.133 1.006 1.00 0.00 C ATOM 562 NZ LYS A 38 6.236 -21.573 1.332 1.00 0.00 N ATOM 0 H LYS A 38 9.522 -15.792 3.312 1.00 0.00 H new ATOM 0 HA LYS A 38 7.114 -15.900 1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.831 -17.900 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.112 -18.237 2.965 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.346 -17.763 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.065 -17.973 0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.387 -20.143 0.121 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.394 -20.196 1.873 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.890 -19.521 1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.002 -19.921 0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.221 -21.798 1.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.730 -22.158 0.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.621 -21.770 2.278 1.00 0.00 H new ATOM 576 N GLY A 39 5.760 -14.983 3.492 1.00 0.00 N ATOM 577 CA GLY A 39 4.834 -14.618 4.548 1.00 0.00 C ATOM 578 C GLY A 39 5.158 -13.270 5.162 1.00 0.00 C ATOM 579 O GLY A 39 5.507 -13.167 6.339 1.00 0.00 O ATOM 0 H GLY A 39 5.616 -14.494 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.821 -14.597 4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.854 -15.382 5.325 1.00 0.00 H new ATOM 583 N PRO A 40 5.046 -12.205 4.355 1.00 0.00 N ATOM 584 CA PRO A 40 5.326 -10.838 4.803 1.00 0.00 C ATOM 585 C PRO A 40 4.280 -10.325 5.788 1.00 0.00 C ATOM 586 O PRO A 40 3.307 -9.682 5.394 1.00 0.00 O ATOM 587 CB PRO A 40 5.285 -10.024 3.508 1.00 0.00 C ATOM 588 CG PRO A 40 4.407 -10.808 2.595 1.00 0.00 C ATOM 589 CD PRO A 40 4.635 -12.253 2.941 1.00 0.00 C ATOM 0 HA PRO A 40 6.275 -10.770 5.335 1.00 0.00 H new ATOM 0 HB2 PRO A 40 4.885 -9.025 3.681 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.283 -9.899 3.087 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.360 -10.535 2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.655 -10.613 1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.731 -12.846 2.805 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.406 -12.700 2.313 1.00 0.00 H new ATOM 597 N ARG A 41 4.488 -10.613 7.068 1.00 0.00 N ATOM 598 CA ARG A 41 3.562 -10.181 8.109 1.00 0.00 C ATOM 599 C ARG A 41 3.545 -8.660 8.224 1.00 0.00 C ATOM 600 O ARG A 41 2.603 -8.005 7.779 1.00 0.00 O ATOM 601 CB ARG A 41 3.948 -10.801 9.453 1.00 0.00 C ATOM 602 CG ARG A 41 3.320 -10.103 10.648 1.00 0.00 C ATOM 603 CD ARG A 41 1.807 -10.259 10.653 1.00 0.00 C ATOM 604 NE ARG A 41 1.397 -11.608 11.032 1.00 0.00 N ATOM 605 CZ ARG A 41 0.175 -11.914 11.455 1.00 0.00 C ATOM 606 NH1 ARG A 41 -0.752 -10.971 11.550 1.00 0.00 N ATOM 607 NH2 ARG A 41 -0.121 -13.165 11.782 1.00 0.00 N ATOM 0 H ARG A 41 5.289 -11.144 7.410 1.00 0.00 H new ATOM 0 HA ARG A 41 2.562 -10.518 7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.651 -11.850 9.458 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.033 -10.776 9.557 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.732 -10.515 11.569 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.578 -9.044 10.629 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.371 -9.540 11.346 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.415 -10.026 9.663 1.00 0.00 H new ATOM 0 HE ARG A 41 2.087 -12.357 10.969 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.528 -10.008 11.298 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.689 -11.208 11.875 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.590 -13.893 11.709 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.059 -13.399 12.107 1.00 0.00 H new ATOM 621 N TRP A 42 4.593 -8.106 8.823 1.00 0.00 N ATOM 622 CA TRP A 42 4.698 -6.661 8.998 1.00 0.00 C ATOM 623 C TRP A 42 4.455 -5.935 7.679 1.00 0.00 C ATOM 624 O TRP A 42 4.368 -6.560 6.623 1.00 0.00 O ATOM 625 CB TRP A 42 6.075 -6.293 9.551 1.00 0.00 C ATOM 626 CG TRP A 42 6.337 -6.855 10.915 1.00 0.00 C ATOM 627 CD1 TRP A 42 6.634 -8.152 11.224 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.323 -6.138 12.155 1.00 0.00 C ATOM 629 NE1 TRP A 42 6.806 -8.285 12.581 1.00 0.00 N ATOM 630 CE2 TRP A 42 6.621 -7.064 13.174 1.00 0.00 C ATOM 631 CE3 TRP A 42 6.090 -4.805 12.503 1.00 0.00 C ATOM 632 CZ2 TRP A 42 6.691 -6.696 14.516 1.00 0.00 C ATOM 633 CZ3 TRP A 42 6.159 -4.442 13.834 1.00 0.00 C ATOM 634 CH2 TRP A 42 6.458 -5.384 14.827 1.00 0.00 C ATOM 0 H TRP A 42 5.382 -8.635 9.196 1.00 0.00 H new ATOM 0 HA TRP A 42 3.934 -6.349 9.710 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.842 -6.652 8.865 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.165 -5.207 9.590 1.00 0.00 H new ATOM 0 HD1 TRP A 42 6.721 -8.955 10.507 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.034 -9.152 13.068 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.860 -4.071 11.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 6.921 -7.420 15.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 5.979 -3.414 14.114 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.506 -5.068 15.859 1.00 0.00 H new ATOM 645 N ALA A 43 4.347 -4.612 7.748 1.00 0.00 N ATOM 646 CA ALA A 43 4.116 -3.801 6.559 1.00 0.00 C ATOM 647 C ALA A 43 4.399 -2.329 6.836 1.00 0.00 C ATOM 648 O ALA A 43 3.797 -1.728 7.727 1.00 0.00 O ATOM 649 CB ALA A 43 2.689 -3.983 6.065 1.00 0.00 C ATOM 0 H ALA A 43 4.416 -4.079 8.615 1.00 0.00 H new ATOM 0 HA ALA A 43 4.803 -4.136 5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.531 -3.371 5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.520 -5.031 5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.992 -3.677 6.845 1.00 0.00 H new ATOM 655 N SER A 44 5.317 -1.752 6.068 1.00 0.00 N ATOM 656 CA SER A 44 5.682 -0.350 6.233 1.00 0.00 C ATOM 657 C SER A 44 4.640 0.562 5.593 1.00 0.00 C ATOM 658 O SER A 44 4.577 0.687 4.370 1.00 0.00 O ATOM 659 CB SER A 44 7.057 -0.083 5.618 1.00 0.00 C ATOM 660 OG SER A 44 7.730 0.958 6.305 1.00 0.00 O ATOM 0 H SER A 44 5.822 -2.234 5.325 1.00 0.00 H new ATOM 0 HA SER A 44 5.721 -0.134 7.301 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.657 -0.992 5.652 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.943 0.185 4.568 1.00 0.00 H new ATOM 0 HG SER A 44 7.681 0.798 7.271 1.00 0.00 H new ATOM 666 N TRP A 45 3.825 1.195 6.429 1.00 0.00 N ATOM 667 CA TRP A 45 2.785 2.097 5.945 1.00 0.00 C ATOM 668 C TRP A 45 3.395 3.333 5.295 1.00 0.00 C ATOM 669 O TRP A 45 3.000 3.728 4.199 1.00 0.00 O ATOM 670 CB TRP A 45 1.866 2.511 7.095 1.00 0.00 C ATOM 671 CG TRP A 45 2.575 3.262 8.182 1.00 0.00 C ATOM 672 CD1 TRP A 45 3.325 2.729 9.191 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.599 4.681 8.367 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.813 3.732 9.994 1.00 0.00 N ATOM 675 CE2 TRP A 45 3.383 4.939 9.509 1.00 0.00 C ATOM 676 CE3 TRP A 45 2.036 5.760 7.680 1.00 0.00 C ATOM 677 CZ2 TRP A 45 3.615 6.230 9.976 1.00 0.00 C ATOM 678 CZ3 TRP A 45 2.267 7.040 8.145 1.00 0.00 C ATOM 679 CH2 TRP A 45 3.052 7.267 9.284 1.00 0.00 C ATOM 0 H TRP A 45 3.864 1.101 7.444 1.00 0.00 H new ATOM 0 HA TRP A 45 2.200 1.567 5.194 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.060 3.130 6.701 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.404 1.620 7.520 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.508 1.675 9.337 1.00 0.00 H new ATOM 0 HE1 TRP A 45 4.400 3.599 10.817 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.431 5.596 6.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 4.218 6.407 10.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.835 7.881 7.622 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.215 8.280 9.622 1.00 0.00 H new ATOM 690 N ASN A 46 4.361 3.940 5.978 1.00 0.00 N ATOM 691 CA ASN A 46 5.025 5.133 5.465 1.00 0.00 C ATOM 692 C ASN A 46 5.268 5.018 3.964 1.00 0.00 C ATOM 693 O ASN A 46 5.006 5.955 3.209 1.00 0.00 O ATOM 694 CB ASN A 46 6.353 5.355 6.192 1.00 0.00 C ATOM 695 CG ASN A 46 7.055 6.621 5.742 1.00 0.00 C ATOM 696 OD1 ASN A 46 6.851 7.693 6.313 1.00 0.00 O ATOM 697 ND2 ASN A 46 7.886 6.503 4.713 1.00 0.00 N ATOM 0 H ASN A 46 4.701 3.626 6.887 1.00 0.00 H new ATOM 0 HA ASN A 46 4.372 5.987 5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.172 5.405 7.266 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.006 4.500 6.019 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.386 7.321 4.365 1.00 0.00 H new ATOM 0 HD22 ASN A 46 8.024 5.594 4.271 1.00 0.00 H new ATOM 704 N ILE A 47 5.768 3.863 3.537 1.00 0.00 N ATOM 705 CA ILE A 47 6.044 3.625 2.126 1.00 0.00 C ATOM 706 C ILE A 47 4.828 3.036 1.420 1.00 0.00 C ATOM 707 O ILE A 47 4.418 3.515 0.363 1.00 0.00 O ATOM 708 CB ILE A 47 7.242 2.675 1.939 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.535 3.354 2.397 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.351 2.240 0.485 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.573 2.386 2.919 1.00 0.00 C ATOM 0 H ILE A 47 5.990 3.077 4.149 1.00 0.00 H new ATOM 0 HA ILE A 47 6.285 4.592 1.684 1.00 0.00 H new ATOM 0 HB ILE A 47 7.083 1.788 2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.958 3.913 1.562 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.299 4.077 3.178 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.202 1.569 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.438 1.722 0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.491 3.117 -0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.462 2.937 3.225 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.168 1.845 3.774 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.837 1.678 2.134 1.00 0.00 H new ATOM 723 N GLY A 48 4.253 1.994 2.013 1.00 0.00 N ATOM 724 CA GLY A 48 3.087 1.357 1.427 1.00 0.00 C ATOM 725 C GLY A 48 3.405 -0.002 0.837 1.00 0.00 C ATOM 726 O GLY A 48 2.968 -0.324 -0.268 1.00 0.00 O ATOM 0 H GLY A 48 4.573 1.580 2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.315 1.247 2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.678 2.001 0.649 1.00 0.00 H new ATOM 730 N VAL A 49 4.169 -0.802 1.574 1.00 0.00 N ATOM 731 CA VAL A 49 4.545 -2.134 1.117 1.00 0.00 C ATOM 732 C VAL A 49 4.669 -3.103 2.288 1.00 0.00 C ATOM 733 O VAL A 49 4.982 -2.701 3.409 1.00 0.00 O ATOM 734 CB VAL A 49 5.877 -2.107 0.344 1.00 0.00 C ATOM 735 CG1 VAL A 49 5.734 -1.302 -0.939 1.00 0.00 C ATOM 736 CG2 VAL A 49 6.987 -1.542 1.217 1.00 0.00 C ATOM 0 H VAL A 49 4.540 -0.550 2.490 1.00 0.00 H new ATOM 0 HA VAL A 49 3.753 -2.475 0.450 1.00 0.00 H new ATOM 0 HB VAL A 49 6.142 -3.129 0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.685 -1.294 -1.472 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.969 -1.755 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.446 -0.279 -0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.921 -1.530 0.655 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.732 -0.526 1.518 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.105 -2.164 2.104 1.00 0.00 H new ATOM 746 N PHE A 50 4.423 -4.381 2.020 1.00 0.00 N ATOM 747 CA PHE A 50 4.507 -5.408 3.052 1.00 0.00 C ATOM 748 C PHE A 50 5.922 -5.970 3.146 1.00 0.00 C ATOM 749 O PHE A 50 6.505 -6.385 2.143 1.00 0.00 O ATOM 750 CB PHE A 50 3.516 -6.537 2.759 1.00 0.00 C ATOM 751 CG PHE A 50 2.079 -6.104 2.822 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.464 -5.534 1.720 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.343 -6.269 3.985 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.142 -5.134 1.775 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.020 -5.872 4.046 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.581 -5.305 2.940 1.00 0.00 C ATOM 0 H PHE A 50 4.164 -4.730 1.097 1.00 0.00 H new ATOM 0 HA PHE A 50 4.253 -4.949 4.008 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.722 -6.943 1.768 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.676 -7.344 3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.024 -5.400 0.806 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.808 -6.713 4.853 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.325 -4.689 0.909 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.543 -6.005 4.958 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.615 -4.996 2.985 1.00 0.00 H new ATOM 766 N ILE A 51 6.469 -5.980 4.357 1.00 0.00 N ATOM 767 CA ILE A 51 7.815 -6.491 4.582 1.00 0.00 C ATOM 768 C ILE A 51 7.850 -7.442 5.773 1.00 0.00 C ATOM 769 O ILE A 51 7.014 -7.359 6.674 1.00 0.00 O ATOM 770 CB ILE A 51 8.819 -5.347 4.824 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.358 -4.475 5.994 1.00 0.00 C ATOM 772 CG2 ILE A 51 8.982 -4.511 3.564 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.419 -3.516 6.486 1.00 0.00 C ATOM 0 H ILE A 51 6.001 -5.640 5.197 1.00 0.00 H new ATOM 0 HA ILE A 51 8.102 -7.031 3.680 1.00 0.00 H new ATOM 0 HB ILE A 51 9.787 -5.779 5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.479 -3.907 5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.051 -5.119 6.818 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.694 -3.707 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.350 -5.141 2.754 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.019 -4.085 3.283 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.023 -2.930 7.316 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.290 -4.078 6.822 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.709 -2.847 5.676 1.00 0.00 H new ATOM 785 N CYS A 52 8.823 -8.347 5.773 1.00 0.00 N ATOM 786 CA CYS A 52 8.969 -9.315 6.854 1.00 0.00 C ATOM 787 C CYS A 52 9.464 -8.637 8.128 1.00 0.00 C ATOM 788 O CYS A 52 9.633 -7.417 8.169 1.00 0.00 O ATOM 789 CB CYS A 52 9.938 -10.426 6.444 1.00 0.00 C ATOM 790 SG CYS A 52 11.639 -9.852 6.136 1.00 0.00 S ATOM 0 H CYS A 52 9.523 -8.430 5.036 1.00 0.00 H new ATOM 0 HA CYS A 52 7.990 -9.751 7.053 1.00 0.00 H new ATOM 0 HB2 CYS A 52 9.958 -11.184 7.227 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.560 -10.909 5.543 1.00 0.00 H new ATOM 0 HG CYS A 52 12.023 -10.245 4.958 1.00 0.00 H new ATOM 795 N ILE A 53 9.696 -9.435 9.165 1.00 0.00 N ATOM 796 CA ILE A 53 10.173 -8.912 10.439 1.00 0.00 C ATOM 797 C ILE A 53 11.653 -8.554 10.367 1.00 0.00 C ATOM 798 O ILE A 53 12.096 -7.576 10.969 1.00 0.00 O ATOM 799 CB ILE A 53 9.957 -9.925 11.579 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.514 -9.373 12.893 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.611 -11.255 11.237 1.00 0.00 C ATOM 802 CD1 ILE A 53 9.667 -8.273 13.493 1.00 0.00 C ATOM 0 H ILE A 53 9.561 -10.446 9.148 1.00 0.00 H new ATOM 0 HA ILE A 53 9.594 -8.013 10.648 1.00 0.00 H new ATOM 0 HB ILE A 53 8.886 -10.090 11.701 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.600 -10.187 13.612 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.521 -8.992 12.720 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.450 -11.960 12.052 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.172 -11.652 10.322 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.681 -11.107 11.091 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.122 -7.929 14.422 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.601 -7.441 12.792 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.667 -8.655 13.698 1.00 0.00 H new ATOM 814 N ARG A 54 12.414 -9.351 9.623 1.00 0.00 N ATOM 815 CA ARG A 54 13.845 -9.118 9.471 1.00 0.00 C ATOM 816 C ARG A 54 14.110 -7.740 8.872 1.00 0.00 C ATOM 817 O ARG A 54 14.939 -6.981 9.375 1.00 0.00 O ATOM 818 CB ARG A 54 14.468 -10.199 8.587 1.00 0.00 C ATOM 819 CG ARG A 54 15.976 -10.072 8.441 1.00 0.00 C ATOM 820 CD ARG A 54 16.350 -9.192 7.259 1.00 0.00 C ATOM 821 NE ARG A 54 16.022 -9.821 5.983 1.00 0.00 N ATOM 822 CZ ARG A 54 16.818 -10.686 5.364 1.00 0.00 C ATOM 823 NH1 ARG A 54 17.982 -11.023 5.902 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.450 -11.217 4.205 1.00 0.00 N ATOM 0 H ARG A 54 12.063 -10.164 9.116 1.00 0.00 H new ATOM 0 HA ARG A 54 14.302 -9.160 10.460 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.233 -11.178 9.005 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.011 -10.156 7.598 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.397 -9.653 9.355 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.415 -11.062 8.312 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.828 -8.238 7.338 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.418 -8.975 7.292 1.00 0.00 H new ATOM 0 HE ARG A 54 15.133 -9.583 5.543 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.268 -10.618 6.793 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.591 -11.687 5.425 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.555 -10.961 3.788 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.062 -11.881 3.731 1.00 0.00 H new ATOM 838 N CYS A 55 13.401 -7.423 7.794 1.00 0.00 N ATOM 839 CA CYS A 55 13.559 -6.137 7.124 1.00 0.00 C ATOM 840 C CYS A 55 13.003 -5.005 7.983 1.00 0.00 C ATOM 841 O CYS A 55 13.616 -3.944 8.102 1.00 0.00 O ATOM 842 CB CYS A 55 12.854 -6.155 5.766 1.00 0.00 C ATOM 843 SG CYS A 55 13.647 -7.236 4.532 1.00 0.00 S ATOM 0 H CYS A 55 12.711 -8.039 7.365 1.00 0.00 H new ATOM 0 HA CYS A 55 14.624 -5.964 6.970 1.00 0.00 H new ATOM 0 HB2 CYS A 55 11.823 -6.479 5.908 1.00 0.00 H new ATOM 0 HB3 CYS A 55 12.818 -5.139 5.374 1.00 0.00 H new ATOM 0 HG CYS A 55 13.222 -8.455 4.686 1.00 0.00 H new ATOM 848 N ALA A 56 11.839 -5.238 8.579 1.00 0.00 N ATOM 849 CA ALA A 56 11.201 -4.239 9.428 1.00 0.00 C ATOM 850 C ALA A 56 12.221 -3.558 10.334 1.00 0.00 C ATOM 851 O ALA A 56 12.261 -2.332 10.427 1.00 0.00 O ATOM 852 CB ALA A 56 10.099 -4.879 10.259 1.00 0.00 C ATOM 0 H ALA A 56 11.318 -6.110 8.490 1.00 0.00 H new ATOM 0 HA ALA A 56 10.760 -3.478 8.784 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.631 -4.122 10.888 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.350 -5.314 9.597 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.525 -5.661 10.888 1.00 0.00 H new ATOM 858 N GLY A 57 13.044 -4.361 11.001 1.00 0.00 N ATOM 859 CA GLY A 57 14.052 -3.817 11.892 1.00 0.00 C ATOM 860 C GLY A 57 14.930 -2.785 11.212 1.00 0.00 C ATOM 861 O GLY A 57 15.251 -1.751 11.799 1.00 0.00 O ATOM 0 H GLY A 57 13.031 -5.379 10.940 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.564 -3.363 12.754 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.675 -4.628 12.269 1.00 0.00 H new ATOM 865 N ILE A 58 15.320 -3.067 9.974 1.00 0.00 N ATOM 866 CA ILE A 58 16.167 -2.155 9.215 1.00 0.00 C ATOM 867 C ILE A 58 15.462 -0.825 8.970 1.00 0.00 C ATOM 868 O ILE A 58 16.067 0.241 9.088 1.00 0.00 O ATOM 869 CB ILE A 58 16.576 -2.763 7.860 1.00 0.00 C ATOM 870 CG1 ILE A 58 17.201 -4.145 8.065 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.545 -1.840 7.136 1.00 0.00 C ATOM 872 CD1 ILE A 58 16.971 -5.089 6.906 1.00 0.00 C ATOM 0 H ILE A 58 15.063 -3.919 9.475 1.00 0.00 H new ATOM 0 HA ILE A 58 17.062 -1.984 9.813 1.00 0.00 H new ATOM 0 HB ILE A 58 15.683 -2.876 7.244 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.273 -4.030 8.223 1.00 0.00 H new ATOM 0 HG13 ILE A 58 16.791 -4.589 8.972 1.00 0.00 H new ATOM 0 HG21 ILE A 58 17.825 -2.283 6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 58 17.068 -0.875 6.963 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.438 -1.699 7.746 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.441 -6.049 7.120 1.00 0.00 H new ATOM 0 HD12 ILE A 58 15.900 -5.234 6.761 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.405 -4.666 6.000 1.00 0.00 H new ATOM 884 N HIS A 59 14.179 -0.895 8.631 1.00 0.00 N ATOM 885 CA HIS A 59 13.390 0.304 8.372 1.00 0.00 C ATOM 886 C HIS A 59 13.430 1.249 9.569 1.00 0.00 C ATOM 887 O HIS A 59 13.691 2.443 9.420 1.00 0.00 O ATOM 888 CB HIS A 59 11.943 -0.072 8.052 1.00 0.00 C ATOM 889 CG HIS A 59 11.739 -0.518 6.637 1.00 0.00 C ATOM 890 ND1 HIS A 59 10.982 0.188 5.726 1.00 0.00 N ATOM 891 CD2 HIS A 59 12.200 -1.606 5.977 1.00 0.00 C ATOM 892 CE1 HIS A 59 10.984 -0.446 4.568 1.00 0.00 C ATOM 893 NE2 HIS A 59 11.716 -1.539 4.693 1.00 0.00 N ATOM 0 H HIS A 59 13.663 -1.769 8.529 1.00 0.00 H new ATOM 0 HA HIS A 59 13.823 0.816 7.513 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.626 -0.869 8.725 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.301 0.786 8.250 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.831 -2.382 6.384 1.00 0.00 H new ATOM 0 HE1 HIS A 59 10.474 -0.126 3.671 1.00 0.00 H new ATOM 0 HE2 HIS A 59 11.893 -2.222 3.956 1.00 0.00 H new ATOM 901 N ARG A 60 13.168 0.708 10.754 1.00 0.00 N ATOM 902 CA ARG A 60 13.172 1.504 11.975 1.00 0.00 C ATOM 903 C ARG A 60 14.446 2.337 12.077 1.00 0.00 C ATOM 904 O ARG A 60 14.396 3.533 12.360 1.00 0.00 O ATOM 905 CB ARG A 60 13.044 0.597 13.200 1.00 0.00 C ATOM 906 CG ARG A 60 12.078 -0.560 13.004 1.00 0.00 C ATOM 907 CD ARG A 60 11.749 -1.241 14.323 1.00 0.00 C ATOM 908 NE ARG A 60 10.480 -1.962 14.265 1.00 0.00 N ATOM 909 CZ ARG A 60 10.183 -2.991 15.051 1.00 0.00 C ATOM 910 NH1 ARG A 60 11.059 -3.417 15.950 1.00 0.00 N ATOM 911 NH2 ARG A 60 9.007 -3.596 14.938 1.00 0.00 N ATOM 0 H ARG A 60 12.950 -0.279 10.894 1.00 0.00 H new ATOM 0 HA ARG A 60 12.318 2.180 11.941 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.027 0.199 13.451 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.715 1.194 14.050 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.160 -0.195 12.543 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.513 -1.286 12.317 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.549 -1.935 14.582 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.706 -0.494 15.116 1.00 0.00 H new ATOM 0 HE ARG A 60 9.784 -1.659 13.584 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.964 -2.954 16.040 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.828 -4.207 16.552 1.00 0.00 H new ATOM 0 HH21 ARG A 60 8.331 -3.271 14.247 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.780 -4.386 15.542 1.00 0.00 H new ATOM 925 N ASN A 61 15.587 1.696 11.844 1.00 0.00 N ATOM 926 CA ASN A 61 16.874 2.378 11.910 1.00 0.00 C ATOM 927 C ASN A 61 16.884 3.610 11.011 1.00 0.00 C ATOM 928 O ASN A 61 17.218 4.711 11.452 1.00 0.00 O ATOM 929 CB ASN A 61 18.001 1.426 11.502 1.00 0.00 C ATOM 930 CG ASN A 61 18.479 0.567 12.656 1.00 0.00 C ATOM 931 OD1 ASN A 61 18.434 0.983 13.814 1.00 0.00 O ATOM 932 ND2 ASN A 61 18.942 -0.638 12.345 1.00 0.00 N ATOM 0 H ASN A 61 15.646 0.705 11.608 1.00 0.00 H new ATOM 0 HA ASN A 61 17.034 2.700 12.939 1.00 0.00 H new ATOM 0 HB2 ASN A 61 17.654 0.783 10.693 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.838 2.005 11.112 1.00 0.00 H new ATOM 0 HD21 ASN A 61 19.279 -1.260 13.080 1.00 0.00 H new ATOM 0 HD22 ASN A 61 18.961 -0.941 11.371 1.00 0.00 H new ATOM 939 N LEU A 62 16.515 3.419 9.750 1.00 0.00 N ATOM 940 CA LEU A 62 16.480 4.515 8.788 1.00 0.00 C ATOM 941 C LEU A 62 16.079 5.821 9.465 1.00 0.00 C ATOM 942 O LEU A 62 16.767 6.833 9.342 1.00 0.00 O ATOM 943 CB LEU A 62 15.505 4.194 7.654 1.00 0.00 C ATOM 944 CG LEU A 62 15.712 2.853 6.950 1.00 0.00 C ATOM 945 CD1 LEU A 62 14.871 2.778 5.685 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.184 2.642 6.626 1.00 0.00 C ATOM 0 H LEU A 62 16.236 2.515 9.369 1.00 0.00 H new ATOM 0 HA LEU A 62 17.481 4.635 8.374 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.492 4.218 8.055 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.572 4.987 6.909 1.00 0.00 H new ATOM 0 HG LEU A 62 15.391 2.058 7.623 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.032 1.816 5.198 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.817 2.883 5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.161 3.581 5.007 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.312 1.682 6.125 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.531 3.442 5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.764 2.650 7.549 1.00 0.00 H new ATOM 958 N GLY A 63 14.959 5.790 10.182 1.00 0.00 N ATOM 959 CA GLY A 63 14.486 6.977 10.870 1.00 0.00 C ATOM 960 C GLY A 63 13.024 7.264 10.594 1.00 0.00 C ATOM 961 O GLY A 63 12.523 6.981 9.505 1.00 0.00 O ATOM 0 H GLY A 63 14.371 4.964 10.298 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.632 6.854 11.943 1.00 0.00 H new ATOM 0 HA3 GLY A 63 15.085 7.834 10.563 1.00 0.00 H new ATOM 965 N VAL A 64 12.335 7.825 11.582 1.00 0.00 N ATOM 966 CA VAL A 64 10.920 8.149 11.441 1.00 0.00 C ATOM 967 C VAL A 64 10.692 9.118 10.286 1.00 0.00 C ATOM 968 O VAL A 64 9.630 9.118 9.663 1.00 0.00 O ATOM 969 CB VAL A 64 10.354 8.765 12.734 1.00 0.00 C ATOM 970 CG1 VAL A 64 10.404 7.758 13.872 1.00 0.00 C ATOM 971 CG2 VAL A 64 11.114 10.032 13.097 1.00 0.00 C ATOM 0 H VAL A 64 12.734 8.065 12.490 1.00 0.00 H new ATOM 0 HA VAL A 64 10.399 7.214 11.235 1.00 0.00 H new ATOM 0 HB VAL A 64 9.311 9.031 12.563 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.000 8.211 14.777 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.811 6.882 13.609 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.437 7.458 14.047 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.701 10.454 14.013 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.167 9.794 13.250 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.020 10.757 12.289 1.00 0.00 H new ATOM 981 N HIS A 65 11.695 9.942 10.005 1.00 0.00 N ATOM 982 CA HIS A 65 11.604 10.917 8.923 1.00 0.00 C ATOM 983 C HIS A 65 11.715 10.232 7.565 1.00 0.00 C ATOM 984 O HIS A 65 11.162 10.707 6.572 1.00 0.00 O ATOM 985 CB HIS A 65 12.700 11.973 9.066 1.00 0.00 C ATOM 986 CG HIS A 65 14.055 11.397 9.342 1.00 0.00 C ATOM 987 ND1 HIS A 65 14.462 10.996 10.597 1.00 0.00 N ATOM 988 CD2 HIS A 65 15.098 11.153 8.514 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.697 10.532 10.530 1.00 0.00 C ATOM 990 NE2 HIS A 65 16.106 10.616 9.277 1.00 0.00 N ATOM 0 H HIS A 65 12.581 9.955 10.511 1.00 0.00 H new ATOM 0 HA HIS A 65 10.631 11.404 8.986 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.745 12.564 8.151 1.00 0.00 H new ATOM 0 HB3 HIS A 65 12.433 12.655 9.873 1.00 0.00 H new ATOM 0 HD2 HIS A 65 15.131 11.345 7.452 1.00 0.00 H new ATOM 0 HE1 HIS A 65 16.274 10.149 11.359 1.00 0.00 H new ATOM 0 HE2 HIS A 65 17.022 10.329 8.932 1.00 0.00 H new ATOM 998 N ILE A 66 12.434 9.115 7.528 1.00 0.00 N ATOM 999 CA ILE A 66 12.617 8.366 6.291 1.00 0.00 C ATOM 1000 C ILE A 66 11.478 7.375 6.075 1.00 0.00 C ATOM 1001 O ILE A 66 10.776 7.431 5.066 1.00 0.00 O ATOM 1002 CB ILE A 66 13.955 7.602 6.288 1.00 0.00 C ATOM 1003 CG1 ILE A 66 15.127 8.583 6.242 1.00 0.00 C ATOM 1004 CG2 ILE A 66 14.014 6.642 5.109 1.00 0.00 C ATOM 1005 CD1 ILE A 66 16.391 8.046 6.877 1.00 0.00 C ATOM 0 H ILE A 66 12.899 8.709 8.340 1.00 0.00 H new ATOM 0 HA ILE A 66 12.622 9.093 5.479 1.00 0.00 H new ATOM 0 HB ILE A 66 14.027 7.022 7.208 1.00 0.00 H new ATOM 0 HG12 ILE A 66 15.333 8.841 5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.839 9.504 6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 66 14.965 6.110 5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.196 5.925 5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.923 7.202 4.179 1.00 0.00 H new ATOM 0 HD11 ILE A 66 17.180 8.795 6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.202 7.814 7.925 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.704 7.141 6.356 1.00 0.00 H new ATOM 1017 N SER A 67 11.300 6.469 7.031 1.00 0.00 N ATOM 1018 CA SER A 67 10.247 5.463 6.945 1.00 0.00 C ATOM 1019 C SER A 67 9.807 5.018 8.336 1.00 0.00 C ATOM 1020 O SER A 67 10.501 5.254 9.324 1.00 0.00 O ATOM 1021 CB SER A 67 10.731 4.256 6.139 1.00 0.00 C ATOM 1022 OG SER A 67 10.106 3.064 6.583 1.00 0.00 O ATOM 0 H SER A 67 11.871 6.411 7.874 1.00 0.00 H new ATOM 0 HA SER A 67 9.391 5.909 6.438 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.517 4.411 5.082 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.813 4.161 6.234 1.00 0.00 H new ATOM 0 HG SER A 67 10.563 2.290 6.192 1.00 0.00 H new ATOM 1028 N ARG A 68 8.647 4.373 8.403 1.00 0.00 N ATOM 1029 CA ARG A 68 8.111 3.895 9.672 1.00 0.00 C ATOM 1030 C ARG A 68 7.942 2.379 9.655 1.00 0.00 C ATOM 1031 O ARG A 68 8.036 1.745 8.603 1.00 0.00 O ATOM 1032 CB ARG A 68 6.768 4.565 9.968 1.00 0.00 C ATOM 1033 CG ARG A 68 6.898 5.997 10.462 1.00 0.00 C ATOM 1034 CD ARG A 68 6.916 6.063 11.981 1.00 0.00 C ATOM 1035 NE ARG A 68 5.913 5.184 12.579 1.00 0.00 N ATOM 1036 CZ ARG A 68 5.972 4.749 13.832 1.00 0.00 C ATOM 1037 NH1 ARG A 68 6.979 5.109 14.617 1.00 0.00 N ATOM 1038 NH2 ARG A 68 5.022 3.952 14.304 1.00 0.00 N ATOM 0 H ARG A 68 8.060 4.169 7.594 1.00 0.00 H new ATOM 0 HA ARG A 68 8.820 4.155 10.458 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.159 4.555 9.064 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.236 3.978 10.717 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.813 6.438 10.067 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.068 6.591 10.081 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.905 5.784 12.344 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.736 7.089 12.301 1.00 0.00 H new ATOM 0 HE ARG A 68 5.125 4.889 12.002 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.711 5.722 14.258 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.021 4.773 15.579 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.246 3.673 13.704 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.068 3.618 15.267 1.00 0.00 H new ATOM 1052 N VAL A 69 7.692 1.802 10.826 1.00 0.00 N ATOM 1053 CA VAL A 69 7.509 0.361 10.946 1.00 0.00 C ATOM 1054 C VAL A 69 6.510 0.023 12.046 1.00 0.00 C ATOM 1055 O VAL A 69 6.610 0.524 13.167 1.00 0.00 O ATOM 1056 CB VAL A 69 8.842 -0.351 11.242 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.635 -1.855 11.335 1.00 0.00 C ATOM 1058 CG2 VAL A 69 9.875 -0.012 10.177 1.00 0.00 C ATOM 0 H VAL A 69 7.612 2.311 11.706 1.00 0.00 H new ATOM 0 HA VAL A 69 7.123 0.011 9.989 1.00 0.00 H new ATOM 0 HB VAL A 69 9.216 0.001 12.204 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.588 -2.341 11.545 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.931 -2.076 12.137 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.238 -2.227 10.390 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.811 -0.524 10.402 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.511 -0.334 9.201 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.044 1.065 10.164 1.00 0.00 H new ATOM 1068 N LYS A 70 5.545 -0.830 11.720 1.00 0.00 N ATOM 1069 CA LYS A 70 4.526 -1.238 12.680 1.00 0.00 C ATOM 1070 C LYS A 70 3.798 -2.490 12.202 1.00 0.00 C ATOM 1071 O LYS A 70 3.787 -2.796 11.010 1.00 0.00 O ATOM 1072 CB LYS A 70 3.523 -0.104 12.903 1.00 0.00 C ATOM 1073 CG LYS A 70 3.008 0.514 11.615 1.00 0.00 C ATOM 1074 CD LYS A 70 1.586 1.026 11.771 1.00 0.00 C ATOM 1075 CE LYS A 70 1.546 2.333 12.548 1.00 0.00 C ATOM 1076 NZ LYS A 70 1.652 3.516 11.649 1.00 0.00 N ATOM 0 H LYS A 70 5.447 -1.253 10.797 1.00 0.00 H new ATOM 0 HA LYS A 70 5.022 -1.466 13.624 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.678 -0.485 13.477 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.993 0.673 13.506 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.661 1.335 11.318 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.043 -0.226 10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.141 1.173 10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.983 0.277 12.285 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.617 2.390 13.115 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.362 2.351 13.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.370 4.372 12.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.634 3.617 11.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.026 3.386 10.829 1.00 0.00 H new ATOM 1090 N SER A 71 3.188 -3.209 13.139 1.00 0.00 N ATOM 1091 CA SER A 71 2.458 -4.428 12.813 1.00 0.00 C ATOM 1092 C SER A 71 1.303 -4.132 11.862 1.00 0.00 C ATOM 1093 O SER A 71 1.028 -2.976 11.542 1.00 0.00 O ATOM 1094 CB SER A 71 1.929 -5.087 14.088 1.00 0.00 C ATOM 1095 OG SER A 71 2.922 -5.895 14.695 1.00 0.00 O ATOM 0 H SER A 71 3.185 -2.968 14.130 1.00 0.00 H new ATOM 0 HA SER A 71 3.146 -5.113 12.318 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.602 -4.319 14.789 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.056 -5.695 13.851 1.00 0.00 H new ATOM 0 HG SER A 71 3.808 -5.518 14.511 1.00 0.00 H new ATOM 1101 N VAL A 72 0.628 -5.186 11.414 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.499 -5.041 10.500 1.00 0.00 C ATOM 1103 C VAL A 72 -1.815 -5.375 11.194 1.00 0.00 C ATOM 1104 O VAL A 72 -2.831 -4.720 10.967 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.339 -5.946 9.264 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.375 -5.594 8.207 1.00 0.00 C ATOM 1107 CG2 VAL A 72 1.069 -5.832 8.700 1.00 0.00 C ATOM 0 H VAL A 72 0.842 -6.150 11.669 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.515 -4.000 10.179 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.502 -6.980 9.568 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.247 -6.244 7.341 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.375 -5.731 8.618 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.246 -4.555 7.903 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.165 -6.478 7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.262 -4.799 8.410 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.790 -6.137 9.458 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.788 -6.398 12.042 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.979 -6.819 12.769 1.00 0.00 C ATOM 1119 C ASN A 73 -2.852 -6.496 14.255 1.00 0.00 C ATOM 1120 O ASN A 73 -3.825 -6.107 14.902 1.00 0.00 O ATOM 1121 CB ASN A 73 -3.214 -8.319 12.581 1.00 0.00 C ATOM 1122 CG ASN A 73 -4.682 -8.689 12.658 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -5.447 -8.435 11.727 1.00 0.00 O ATOM 1124 ND2 ASN A 73 -5.083 -9.293 13.771 1.00 0.00 N ATOM 0 H ASN A 73 -0.954 -6.950 12.242 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.831 -6.271 12.367 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.815 -8.628 11.615 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.663 -8.869 13.344 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.060 -9.566 13.880 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.414 -9.484 14.517 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.647 -6.658 14.789 1.00 0.00 N ATOM 1132 CA LEU A 74 -1.391 -6.382 16.198 1.00 0.00 C ATOM 1133 C LEU A 74 -1.680 -4.922 16.529 1.00 0.00 C ATOM 1134 O LEU A 74 -2.420 -4.622 17.466 1.00 0.00 O ATOM 1135 CB LEU A 74 0.059 -6.719 16.549 1.00 0.00 C ATOM 1136 CG LEU A 74 0.423 -8.205 16.546 1.00 0.00 C ATOM 1137 CD1 LEU A 74 1.920 -8.388 16.737 1.00 0.00 C ATOM 1138 CD2 LEU A 74 -0.350 -8.945 17.628 1.00 0.00 C ATOM 0 H LEU A 74 -0.831 -6.979 14.267 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.057 -7.008 16.792 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.711 -6.204 15.844 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.276 -6.314 17.538 1.00 0.00 H new ATOM 0 HG LEU A 74 0.148 -8.626 15.579 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.160 -9.451 16.732 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.454 -7.892 15.926 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.221 -7.952 17.690 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.079 -10.001 17.612 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.106 -8.523 18.603 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.420 -8.842 17.446 1.00 0.00 H new ATOM 1150 N ASP A 75 -1.092 -4.018 15.753 1.00 0.00 N ATOM 1151 CA ASP A 75 -1.289 -2.588 15.961 1.00 0.00 C ATOM 1152 C ASP A 75 -2.507 -2.089 15.190 1.00 0.00 C ATOM 1153 O ASP A 75 -3.009 -2.770 14.297 1.00 0.00 O ATOM 1154 CB ASP A 75 -0.044 -1.812 15.529 1.00 0.00 C ATOM 1155 CG ASP A 75 1.039 -1.816 16.590 1.00 0.00 C ATOM 1156 OD1 ASP A 75 1.026 -0.914 17.453 1.00 0.00 O ATOM 1157 OD2 ASP A 75 1.899 -2.721 16.557 1.00 0.00 O ATOM 0 H ASP A 75 -0.475 -4.250 14.974 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.461 -2.421 17.024 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.350 -2.246 14.610 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.322 -0.783 15.302 1.00 0.00 H new ATOM 1162 N GLN A 76 -2.978 -0.897 15.544 1.00 0.00 N ATOM 1163 CA GLN A 76 -4.139 -0.309 14.886 1.00 0.00 C ATOM 1164 C GLN A 76 -3.713 0.569 13.714 1.00 0.00 C ATOM 1165 O GLN A 76 -2.640 1.171 13.735 1.00 0.00 O ATOM 1166 CB GLN A 76 -4.955 0.513 15.885 1.00 0.00 C ATOM 1167 CG GLN A 76 -6.374 0.799 15.422 1.00 0.00 C ATOM 1168 CD GLN A 76 -7.215 -0.458 15.308 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -7.632 -1.033 16.313 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -7.468 -0.891 14.078 1.00 0.00 N ATOM 0 H GLN A 76 -2.574 -0.320 16.282 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.758 -1.120 14.502 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.992 -0.019 16.836 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -4.444 1.458 16.068 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.849 1.487 16.122 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.343 1.300 14.454 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.102 -0.383 13.273 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.028 -1.732 13.938 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.561 0.636 12.694 1.00 0.00 N ATOM 1180 CA TRP A 77 -4.272 1.441 11.512 1.00 0.00 C ATOM 1181 C TRP A 77 -5.384 2.452 11.257 1.00 0.00 C ATOM 1182 O TRP A 77 -6.465 2.364 11.842 1.00 0.00 O ATOM 1183 CB TRP A 77 -4.093 0.541 10.289 1.00 0.00 C ATOM 1184 CG TRP A 77 -2.805 -0.224 10.297 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -2.304 -0.973 11.323 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -1.854 -0.313 9.231 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -1.098 -1.523 10.959 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.800 -1.133 9.680 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -1.790 0.219 7.940 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.302 -1.432 8.883 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -0.695 -0.078 7.151 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.338 -0.897 7.624 1.00 0.00 C ATOM 0 H TRP A 77 -5.453 0.143 12.661 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.346 1.986 11.691 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.924 -0.162 10.240 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.139 1.152 9.388 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.785 -1.113 12.280 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.519 -2.124 11.546 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.582 0.851 7.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 1.100 -2.063 9.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -0.635 0.329 6.152 1.00 0.00 H new ATOM 0 HH2 TRP A 77 1.180 -1.111 6.982 1.00 0.00 H new ATOM 1203 N THR A 78 -5.115 3.414 10.379 1.00 0.00 N ATOM 1204 CA THR A 78 -6.093 4.442 10.048 1.00 0.00 C ATOM 1205 C THR A 78 -6.306 4.532 8.541 1.00 0.00 C ATOM 1206 O THR A 78 -5.449 4.126 7.758 1.00 0.00 O ATOM 1207 CB THR A 78 -5.658 5.822 10.576 1.00 0.00 C ATOM 1208 OG1 THR A 78 -4.411 6.203 9.985 1.00 0.00 O ATOM 1209 CG2 THR A 78 -5.522 5.802 12.091 1.00 0.00 C ATOM 0 H THR A 78 -4.227 3.502 9.885 1.00 0.00 H new ATOM 0 HA THR A 78 -7.028 4.155 10.529 1.00 0.00 H new ATOM 0 HB THR A 78 -6.424 6.548 10.305 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.143 7.082 10.325 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.214 6.787 12.442 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.481 5.541 12.539 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.774 5.064 12.379 1.00 0.00 H new ATOM 1217 N ALA A 79 -7.455 5.067 8.142 1.00 0.00 N ATOM 1218 CA ALA A 79 -7.780 5.213 6.728 1.00 0.00 C ATOM 1219 C ALA A 79 -6.600 5.786 5.950 1.00 0.00 C ATOM 1220 O ALA A 79 -6.274 5.313 4.862 1.00 0.00 O ATOM 1221 CB ALA A 79 -9.007 6.097 6.557 1.00 0.00 C ATOM 0 H ALA A 79 -8.177 5.407 8.778 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.000 4.224 6.327 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.238 6.197 5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.855 5.646 7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.808 7.082 6.980 1.00 0.00 H new ATOM 1227 N GLU A 80 -5.965 6.808 6.515 1.00 0.00 N ATOM 1228 CA GLU A 80 -4.822 7.446 5.872 1.00 0.00 C ATOM 1229 C GLU A 80 -3.772 6.411 5.478 1.00 0.00 C ATOM 1230 O GLU A 80 -3.307 6.388 4.339 1.00 0.00 O ATOM 1231 CB GLU A 80 -4.201 8.489 6.804 1.00 0.00 C ATOM 1232 CG GLU A 80 -5.127 9.652 7.118 1.00 0.00 C ATOM 1233 CD GLU A 80 -5.610 10.367 5.871 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -4.816 10.497 4.916 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -6.782 10.798 5.851 1.00 0.00 O ATOM 0 H GLU A 80 -6.222 7.212 7.416 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.176 7.942 4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.911 8.004 7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.289 8.874 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.987 9.285 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.607 10.362 7.761 1.00 0.00 H new ATOM 1242 N GLN A 81 -3.404 5.559 6.429 1.00 0.00 N ATOM 1243 CA GLN A 81 -2.408 4.523 6.181 1.00 0.00 C ATOM 1244 C GLN A 81 -2.943 3.474 5.212 1.00 0.00 C ATOM 1245 O GLN A 81 -2.244 3.056 4.288 1.00 0.00 O ATOM 1246 CB GLN A 81 -1.997 3.856 7.496 1.00 0.00 C ATOM 1247 CG GLN A 81 -1.152 4.747 8.391 1.00 0.00 C ATOM 1248 CD GLN A 81 -1.297 4.404 9.861 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -2.162 3.615 10.243 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -0.449 4.996 10.694 1.00 0.00 N ATOM 0 H GLN A 81 -3.780 5.565 7.377 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.534 4.995 5.731 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.894 3.557 8.038 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.440 2.946 7.274 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.105 4.657 8.102 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -1.437 5.787 8.235 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.252 5.643 10.333 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.499 4.804 11.694 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.185 3.054 5.428 1.00 0.00 N ATOM 1260 CA ILE A 82 -4.813 2.055 4.572 1.00 0.00 C ATOM 1261 C ILE A 82 -4.776 2.483 3.109 1.00 0.00 C ATOM 1262 O ILE A 82 -4.242 1.772 2.258 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.275 1.800 4.984 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.336 1.224 6.400 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -6.947 0.860 3.995 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.527 -0.043 6.573 1.00 0.00 C ATOM 0 H ILE A 82 -4.776 3.390 6.188 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.244 1.133 4.693 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.810 2.749 4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.976 1.974 7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.376 1.019 6.656 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.980 0.689 4.299 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.931 1.306 3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.413 -0.090 3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.617 -0.394 7.601 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.901 -0.809 5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.480 0.161 6.349 1.00 0.00 H new ATOM 1278 N GLN A 83 -5.345 3.650 2.825 1.00 0.00 N ATOM 1279 CA GLN A 83 -5.375 4.173 1.464 1.00 0.00 C ATOM 1280 C GLN A 83 -4.001 4.072 0.811 1.00 0.00 C ATOM 1281 O GLN A 83 -3.888 3.755 -0.374 1.00 0.00 O ATOM 1282 CB GLN A 83 -5.847 5.628 1.465 1.00 0.00 C ATOM 1283 CG GLN A 83 -6.535 6.046 0.176 1.00 0.00 C ATOM 1284 CD GLN A 83 -7.987 5.613 0.122 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -8.383 4.835 -0.746 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -8.789 6.116 1.053 1.00 0.00 N ATOM 0 H GLN A 83 -5.791 4.251 3.518 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.076 3.571 0.886 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.533 5.778 2.298 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.990 6.279 1.637 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.479 7.130 0.074 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.000 5.618 -0.672 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -8.418 6.758 1.753 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.776 5.861 1.068 1.00 0.00 H new ATOM 1295 N CYS A 84 -2.960 4.342 1.590 1.00 0.00 N ATOM 1296 CA CYS A 84 -1.592 4.283 1.086 1.00 0.00 C ATOM 1297 C CYS A 84 -1.237 2.867 0.645 1.00 0.00 C ATOM 1298 O CYS A 84 -0.619 2.669 -0.401 1.00 0.00 O ATOM 1299 CB CYS A 84 -0.611 4.757 2.159 1.00 0.00 C ATOM 1300 SG CYS A 84 -0.482 6.555 2.300 1.00 0.00 S ATOM 0 H CYS A 84 -3.036 4.604 2.573 1.00 0.00 H new ATOM 0 HA CYS A 84 -1.520 4.943 0.221 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -0.918 4.349 3.122 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.376 4.349 1.940 1.00 0.00 H new ATOM 0 HG CYS A 84 -1.441 7.001 3.055 1.00 0.00 H new ATOM 1306 N MET A 85 -1.630 1.885 1.449 1.00 0.00 N ATOM 1307 CA MET A 85 -1.353 0.487 1.141 1.00 0.00 C ATOM 1308 C MET A 85 -1.828 0.136 -0.266 1.00 0.00 C ATOM 1309 O MET A 85 -1.078 -0.433 -1.059 1.00 0.00 O ATOM 1310 CB MET A 85 -2.030 -0.427 2.164 1.00 0.00 C ATOM 1311 CG MET A 85 -1.443 -0.315 3.561 1.00 0.00 C ATOM 1312 SD MET A 85 0.352 -0.485 3.576 1.00 0.00 S ATOM 1313 CE MET A 85 0.540 -2.150 2.944 1.00 0.00 C ATOM 0 H MET A 85 -2.142 2.032 2.319 1.00 0.00 H new ATOM 0 HA MET A 85 -0.274 0.337 1.189 1.00 0.00 H new ATOM 0 HB2 MET A 85 -3.093 -0.188 2.205 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.948 -1.460 1.826 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.716 0.649 3.989 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.882 -1.083 4.198 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.586 -2.448 3.010 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.071 -2.834 3.533 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.219 -2.182 1.903 1.00 0.00 H new ATOM 1323 N GLN A 86 -3.076 0.479 -0.567 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.650 0.198 -1.877 1.00 0.00 C ATOM 1325 C GLN A 86 -3.023 1.086 -2.947 1.00 0.00 C ATOM 1326 O GLN A 86 -2.641 0.611 -4.017 1.00 0.00 O ATOM 1327 CB GLN A 86 -5.165 0.404 -1.849 1.00 0.00 C ATOM 1328 CG GLN A 86 -5.898 -0.589 -0.962 1.00 0.00 C ATOM 1329 CD GLN A 86 -5.890 -0.184 0.499 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -6.056 0.991 0.830 1.00 0.00 O ATOM 1331 NE2 GLN A 86 -5.697 -1.156 1.382 1.00 0.00 N ATOM 0 H GLN A 86 -3.709 0.952 0.078 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.437 -0.842 -2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.379 1.415 -1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.553 0.326 -2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.929 -0.683 -1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.437 -1.571 -1.065 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.564 -2.116 1.063 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.682 -0.943 2.379 1.00 0.00 H new ATOM 1340 N ASP A 87 -2.922 2.377 -2.652 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.341 3.332 -3.589 1.00 0.00 C ATOM 1342 C ASP A 87 -0.944 2.893 -4.017 1.00 0.00 C ATOM 1343 O ASP A 87 -0.699 2.631 -5.194 1.00 0.00 O ATOM 1344 CB ASP A 87 -2.281 4.724 -2.959 1.00 0.00 C ATOM 1345 CG ASP A 87 -3.548 5.522 -3.194 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -3.835 5.849 -4.365 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -4.254 5.819 -2.208 1.00 0.00 O ATOM 0 H ASP A 87 -3.235 2.787 -1.772 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.977 3.369 -4.473 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.110 4.627 -1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.431 5.269 -3.369 1.00 0.00 H new ATOM 1352 N MET A 88 -0.033 2.815 -3.053 1.00 0.00 N ATOM 1353 CA MET A 88 1.340 2.407 -3.331 1.00 0.00 C ATOM 1354 C MET A 88 1.420 0.905 -3.583 1.00 0.00 C ATOM 1355 O MET A 88 1.579 0.464 -4.720 1.00 0.00 O ATOM 1356 CB MET A 88 2.254 2.790 -2.166 1.00 0.00 C ATOM 1357 CG MET A 88 3.725 2.513 -2.431 1.00 0.00 C ATOM 1358 SD MET A 88 4.569 3.914 -3.191 1.00 0.00 S ATOM 1359 CE MET A 88 5.423 3.103 -4.540 1.00 0.00 C ATOM 0 H MET A 88 -0.220 3.029 -2.073 1.00 0.00 H new ATOM 0 HA MET A 88 1.672 2.926 -4.230 1.00 0.00 H new ATOM 0 HB2 MET A 88 2.126 3.850 -1.948 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.944 2.242 -1.276 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.219 2.262 -1.492 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.816 1.643 -3.081 1.00 0.00 H new ATOM 0 HE1 MET A 88 5.347 3.715 -5.439 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.473 2.971 -4.279 1.00 0.00 H new ATOM 0 HE3 MET A 88 4.970 2.129 -4.725 1.00 0.00 H new ATOM 1369 N GLY A 89 1.308 0.123 -2.513 1.00 0.00 N ATOM 1370 CA GLY A 89 1.371 -1.322 -2.640 1.00 0.00 C ATOM 1371 C GLY A 89 2.706 -1.799 -3.179 1.00 0.00 C ATOM 1372 O GLY A 89 3.550 -0.992 -3.566 1.00 0.00 O ATOM 0 H GLY A 89 1.175 0.464 -1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.192 -1.777 -1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.574 -1.661 -3.301 1.00 0.00 H new ATOM 1376 N ASN A 90 2.897 -3.114 -3.201 1.00 0.00 N ATOM 1377 CA ASN A 90 4.140 -3.697 -3.694 1.00 0.00 C ATOM 1378 C ASN A 90 4.259 -3.527 -5.205 1.00 0.00 C ATOM 1379 O ASN A 90 5.330 -3.210 -5.723 1.00 0.00 O ATOM 1380 CB ASN A 90 4.210 -5.181 -3.329 1.00 0.00 C ATOM 1381 CG ASN A 90 4.151 -5.413 -1.832 1.00 0.00 C ATOM 1382 OD1 ASN A 90 3.274 -4.887 -1.146 1.00 0.00 O ATOM 1383 ND2 ASN A 90 5.086 -6.202 -1.317 1.00 0.00 N ATOM 0 H ASN A 90 2.208 -3.796 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 90 4.971 -3.173 -3.221 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.386 -5.709 -3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.133 -5.606 -3.723 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.097 -6.393 -0.315 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.794 -6.617 -1.923 1.00 0.00 H new ATOM 1390 N THR A 91 3.151 -3.739 -5.908 1.00 0.00 N ATOM 1391 CA THR A 91 3.130 -3.610 -7.360 1.00 0.00 C ATOM 1392 C THR A 91 3.930 -2.394 -7.815 1.00 0.00 C ATOM 1393 O THR A 91 4.998 -2.528 -8.412 1.00 0.00 O ATOM 1394 CB THR A 91 1.690 -3.492 -7.893 1.00 0.00 C ATOM 1395 OG1 THR A 91 0.908 -4.604 -7.443 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.679 -3.440 -9.413 1.00 0.00 C ATOM 0 H THR A 91 2.256 -4.001 -5.495 1.00 0.00 H new ATOM 0 HA THR A 91 3.586 -4.514 -7.764 1.00 0.00 H new ATOM 0 HB THR A 91 1.259 -2.567 -7.510 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.007 -4.520 -7.785 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.651 -3.357 -9.767 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.251 -2.576 -9.752 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.127 -4.350 -9.811 1.00 0.00 H new ATOM 1404 N LYS A 92 3.406 -1.207 -7.529 1.00 0.00 N ATOM 1405 CA LYS A 92 4.072 0.034 -7.907 1.00 0.00 C ATOM 1406 C LYS A 92 5.450 0.132 -7.260 1.00 0.00 C ATOM 1407 O LYS A 92 6.424 0.512 -7.908 1.00 0.00 O ATOM 1408 CB LYS A 92 3.219 1.238 -7.500 1.00 0.00 C ATOM 1409 CG LYS A 92 2.006 1.452 -8.388 1.00 0.00 C ATOM 1410 CD LYS A 92 1.306 2.763 -8.069 1.00 0.00 C ATOM 1411 CE LYS A 92 2.058 3.951 -8.648 1.00 0.00 C ATOM 1412 NZ LYS A 92 1.817 4.102 -10.110 1.00 0.00 N ATOM 0 H LYS A 92 2.522 -1.078 -7.037 1.00 0.00 H new ATOM 0 HA LYS A 92 4.198 0.034 -8.990 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.886 1.105 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.838 2.135 -7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.314 1.448 -9.434 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.308 0.625 -8.258 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.292 2.742 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.220 2.877 -6.988 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.750 4.861 -8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.126 3.828 -8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.320 4.942 -10.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 2.165 3.258 -10.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.798 4.211 -10.284 1.00 0.00 H new ATOM 1426 N ALA A 93 5.523 -0.216 -5.980 1.00 0.00 N ATOM 1427 CA ALA A 93 6.782 -0.171 -5.247 1.00 0.00 C ATOM 1428 C ALA A 93 7.919 -0.765 -6.072 1.00 0.00 C ATOM 1429 O ALA A 93 9.038 -0.252 -6.064 1.00 0.00 O ATOM 1430 CB ALA A 93 6.649 -0.907 -3.922 1.00 0.00 C ATOM 0 H ALA A 93 4.725 -0.532 -5.429 1.00 0.00 H new ATOM 0 HA ALA A 93 7.020 0.874 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.597 -0.865 -3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.871 -0.436 -3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.384 -1.948 -4.109 1.00 0.00 H new ATOM 1436 N ARG A 94 7.625 -1.849 -6.782 1.00 0.00 N ATOM 1437 CA ARG A 94 8.624 -2.514 -7.610 1.00 0.00 C ATOM 1438 C ARG A 94 8.906 -1.706 -8.874 1.00 0.00 C ATOM 1439 O ARG A 94 10.060 -1.539 -9.271 1.00 0.00 O ATOM 1440 CB ARG A 94 8.152 -3.920 -7.986 1.00 0.00 C ATOM 1441 CG ARG A 94 7.938 -4.831 -6.788 1.00 0.00 C ATOM 1442 CD ARG A 94 7.130 -6.063 -7.163 1.00 0.00 C ATOM 1443 NE ARG A 94 7.983 -7.163 -7.606 1.00 0.00 N ATOM 1444 CZ ARG A 94 7.554 -8.166 -8.364 1.00 0.00 C ATOM 1445 NH1 ARG A 94 6.289 -8.208 -8.760 1.00 0.00 N ATOM 1446 NH2 ARG A 94 8.391 -9.130 -8.727 1.00 0.00 N ATOM 0 H ARG A 94 6.703 -2.285 -6.801 1.00 0.00 H new ATOM 0 HA ARG A 94 9.546 -2.590 -7.033 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.219 -3.844 -8.545 1.00 0.00 H new ATOM 0 HB3 ARG A 94 8.886 -4.375 -8.651 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.903 -5.137 -6.385 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.422 -4.282 -6.000 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.540 -6.385 -6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.427 -5.808 -7.956 1.00 0.00 H new ATOM 0 HE ARG A 94 8.961 -7.161 -7.318 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.643 -7.469 -8.483 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.962 -8.979 -9.342 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.364 -9.101 -8.424 1.00 0.00 H new ATOM 0 HH22 ARG A 94 8.061 -9.900 -9.309 1.00 0.00 H new ATOM 1460 N LEU A 95 7.846 -1.208 -9.501 1.00 0.00 N ATOM 1461 CA LEU A 95 7.980 -0.418 -10.720 1.00 0.00 C ATOM 1462 C LEU A 95 8.560 0.959 -10.415 1.00 0.00 C ATOM 1463 O LEU A 95 8.804 1.756 -11.322 1.00 0.00 O ATOM 1464 CB LEU A 95 6.621 -0.272 -11.408 1.00 0.00 C ATOM 1465 CG LEU A 95 5.814 -1.559 -11.580 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.393 -1.243 -12.021 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.492 -2.484 -12.580 1.00 0.00 C ATOM 0 H LEU A 95 6.885 -1.337 -9.186 1.00 0.00 H new ATOM 0 HA LEU A 95 8.665 -0.940 -11.389 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.021 0.436 -10.836 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.780 0.168 -12.393 1.00 0.00 H new ATOM 0 HG LEU A 95 5.769 -2.068 -10.617 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.834 -2.171 -12.138 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.909 -0.620 -11.269 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.417 -0.711 -12.972 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.904 -3.395 -12.690 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.569 -1.983 -13.545 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.490 -2.738 -12.222 1.00 0.00 H new ATOM 1479 N LEU A 96 8.779 1.233 -9.134 1.00 0.00 N ATOM 1480 CA LEU A 96 9.333 2.514 -8.709 1.00 0.00 C ATOM 1481 C LEU A 96 10.729 2.335 -8.121 1.00 0.00 C ATOM 1482 O LEU A 96 11.710 2.852 -8.655 1.00 0.00 O ATOM 1483 CB LEU A 96 8.414 3.173 -7.680 1.00 0.00 C ATOM 1484 CG LEU A 96 8.613 4.674 -7.466 1.00 0.00 C ATOM 1485 CD1 LEU A 96 10.058 4.974 -7.099 1.00 0.00 C ATOM 1486 CD2 LEU A 96 8.205 5.449 -8.710 1.00 0.00 C ATOM 0 H LEU A 96 8.581 0.585 -8.371 1.00 0.00 H new ATOM 0 HA LEU A 96 9.408 3.158 -9.585 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.381 3.003 -7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.552 2.669 -6.724 1.00 0.00 H new ATOM 0 HG LEU A 96 7.977 4.991 -6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.180 6.047 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.316 4.449 -6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.714 4.642 -7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.353 6.515 -8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.815 5.128 -9.555 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.154 5.259 -8.928 1.00 0.00 H new ATOM 1498 N TYR A 97 10.810 1.599 -7.018 1.00 0.00 N ATOM 1499 CA TYR A 97 12.086 1.351 -6.357 1.00 0.00 C ATOM 1500 C TYR A 97 12.918 0.340 -7.139 1.00 0.00 C ATOM 1501 O TYR A 97 14.106 0.552 -7.379 1.00 0.00 O ATOM 1502 CB TYR A 97 11.856 0.846 -4.931 1.00 0.00 C ATOM 1503 CG TYR A 97 11.297 1.897 -3.999 1.00 0.00 C ATOM 1504 CD1 TYR A 97 12.140 2.725 -3.268 1.00 0.00 C ATOM 1505 CD2 TYR A 97 9.925 2.064 -3.851 1.00 0.00 C ATOM 1506 CE1 TYR A 97 11.634 3.686 -2.414 1.00 0.00 C ATOM 1507 CE2 TYR A 97 9.410 3.023 -3.001 1.00 0.00 C ATOM 1508 CZ TYR A 97 10.268 3.831 -2.284 1.00 0.00 C ATOM 1509 OH TYR A 97 9.760 4.788 -1.436 1.00 0.00 O ATOM 0 H TYR A 97 10.008 1.164 -6.563 1.00 0.00 H new ATOM 0 HA TYR A 97 12.635 2.292 -6.318 1.00 0.00 H new ATOM 0 HB2 TYR A 97 11.172 -0.002 -4.961 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.800 0.480 -4.528 1.00 0.00 H new ATOM 0 HD1 TYR A 97 13.210 2.615 -3.369 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.250 1.433 -4.410 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.304 4.320 -1.852 1.00 0.00 H new ATOM 0 HE2 TYR A 97 8.341 3.140 -2.898 1.00 0.00 H new ATOM 0 HH TYR A 97 8.781 4.760 -1.461 1.00 0.00 H new ATOM 1519 N GLU A 98 12.284 -0.760 -7.532 1.00 0.00 N ATOM 1520 CA GLU A 98 12.966 -1.805 -8.287 1.00 0.00 C ATOM 1521 C GLU A 98 12.938 -1.503 -9.783 1.00 0.00 C ATOM 1522 O GLU A 98 12.830 -2.409 -10.608 1.00 0.00 O ATOM 1523 CB GLU A 98 12.318 -3.165 -8.018 1.00 0.00 C ATOM 1524 CG GLU A 98 12.746 -3.794 -6.703 1.00 0.00 C ATOM 1525 CD GLU A 98 12.380 -5.262 -6.612 1.00 0.00 C ATOM 1526 OE1 GLU A 98 12.165 -5.888 -7.671 1.00 0.00 O ATOM 1527 OE2 GLU A 98 12.307 -5.786 -5.480 1.00 0.00 O ATOM 0 H GLU A 98 11.300 -0.951 -7.341 1.00 0.00 H new ATOM 0 HA GLU A 98 14.005 -1.834 -7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.234 -3.048 -8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.566 -3.844 -8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.824 -3.684 -6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.280 -3.255 -5.878 1.00 0.00 H new ATOM 1534 N ALA A 99 13.035 -0.222 -10.123 1.00 0.00 N ATOM 1535 CA ALA A 99 13.021 0.201 -11.518 1.00 0.00 C ATOM 1536 C ALA A 99 14.427 0.542 -12.002 1.00 0.00 C ATOM 1537 O ALA A 99 14.812 0.191 -13.117 1.00 0.00 O ATOM 1538 CB ALA A 99 12.095 1.394 -11.700 1.00 0.00 C ATOM 0 H ALA A 99 13.124 0.541 -9.452 1.00 0.00 H new ATOM 0 HA ALA A 99 12.648 -0.628 -12.119 1.00 0.00 H new ATOM 0 HB1 ALA A 99 12.095 1.698 -12.747 1.00 0.00 H new ATOM 0 HB2 ALA A 99 11.083 1.118 -11.402 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.442 2.222 -11.081 1.00 0.00 H new ATOM 1544 N ASN A 100 15.189 1.227 -11.156 1.00 0.00 N ATOM 1545 CA ASN A 100 16.552 1.617 -11.498 1.00 0.00 C ATOM 1546 C ASN A 100 17.547 0.541 -11.076 1.00 0.00 C ATOM 1547 O ASN A 100 18.736 0.813 -10.901 1.00 0.00 O ATOM 1548 CB ASN A 100 16.907 2.947 -10.830 1.00 0.00 C ATOM 1549 CG ASN A 100 16.407 4.142 -11.619 1.00 0.00 C ATOM 1550 OD1 ASN A 100 16.792 4.345 -12.771 1.00 0.00 O ATOM 1551 ND2 ASN A 100 15.544 4.939 -11.001 1.00 0.00 N ATOM 0 H ASN A 100 14.886 1.524 -10.228 1.00 0.00 H new ATOM 0 HA ASN A 100 16.609 1.735 -12.580 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.480 2.972 -9.828 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.989 3.016 -10.717 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.172 5.758 -11.481 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.253 4.732 -10.046 1.00 0.00 H new ATOM 1558 N LEU A 101 17.055 -0.682 -10.914 1.00 0.00 N ATOM 1559 CA LEU A 101 17.901 -1.801 -10.513 1.00 0.00 C ATOM 1560 C LEU A 101 18.805 -2.239 -11.661 1.00 0.00 C ATOM 1561 O LEU A 101 18.508 -2.020 -12.836 1.00 0.00 O ATOM 1562 CB LEU A 101 17.039 -2.977 -10.050 1.00 0.00 C ATOM 1563 CG LEU A 101 16.529 -2.909 -8.610 1.00 0.00 C ATOM 1564 CD1 LEU A 101 15.606 -4.081 -8.315 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.694 -2.886 -7.631 1.00 0.00 C ATOM 0 H LEU A 101 16.074 -0.924 -11.054 1.00 0.00 H new ATOM 0 HA LEU A 101 18.530 -1.471 -9.686 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.179 -3.056 -10.715 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.617 -3.894 -10.167 1.00 0.00 H new ATOM 0 HG LEU A 101 15.961 -1.986 -8.490 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.253 -4.016 -7.286 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.754 -4.053 -8.994 1.00 0.00 H new ATOM 0 HD13 LEU A 101 16.149 -5.016 -8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 101 17.312 -2.837 -6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 101 18.289 -3.791 -7.753 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.317 -2.013 -7.827 1.00 0.00 H new ATOM 1664 N ARG A 107 18.571 -10.127 -5.269 1.00 0.00 N ATOM 1665 CA ARG A 107 18.181 -9.873 -3.887 1.00 0.00 C ATOM 1666 C ARG A 107 19.178 -10.501 -2.917 1.00 0.00 C ATOM 1667 O ARG A 107 19.541 -11.672 -3.032 1.00 0.00 O ATOM 1668 CB ARG A 107 16.779 -10.423 -3.622 1.00 0.00 C ATOM 1669 CG ARG A 107 15.665 -9.473 -4.028 1.00 0.00 C ATOM 1670 CD ARG A 107 14.294 -10.097 -3.813 1.00 0.00 C ATOM 1671 NE ARG A 107 13.959 -11.055 -4.863 1.00 0.00 N ATOM 1672 CZ ARG A 107 13.459 -10.708 -6.043 1.00 0.00 C ATOM 1673 NH1 ARG A 107 13.238 -9.431 -6.323 1.00 0.00 N ATOM 1674 NH2 ARG A 107 13.179 -11.638 -6.946 1.00 0.00 N ATOM 0 HA ARG A 107 18.177 -8.795 -3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.659 -11.362 -4.162 1.00 0.00 H new ATOM 0 HB3 ARG A 107 16.682 -10.651 -2.560 1.00 0.00 H new ATOM 0 HG2 ARG A 107 15.742 -8.552 -3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 107 15.782 -9.201 -5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.271 -10.597 -2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.539 -9.312 -3.784 1.00 0.00 H new ATOM 0 HE ARG A 107 14.118 -12.046 -4.680 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.452 -8.713 -5.631 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.854 -9.167 -7.230 1.00 0.00 H new ATOM 0 HH21 ARG A 107 13.348 -12.621 -6.734 1.00 0.00 H new ATOM 0 HH22 ARG A 107 12.795 -11.370 -7.852 1.00 0.00 H new ATOM 1688 N PRO A 108 19.632 -9.705 -1.938 1.00 0.00 N ATOM 1689 CA PRO A 108 20.593 -10.161 -0.929 1.00 0.00 C ATOM 1690 C PRO A 108 19.982 -11.168 0.040 1.00 0.00 C ATOM 1691 O PRO A 108 18.855 -10.993 0.502 1.00 0.00 O ATOM 1692 CB PRO A 108 20.972 -8.874 -0.192 1.00 0.00 C ATOM 1693 CG PRO A 108 19.803 -7.970 -0.384 1.00 0.00 C ATOM 1694 CD PRO A 108 19.243 -8.299 -1.740 1.00 0.00 C ATOM 0 HA PRO A 108 21.441 -10.677 -1.379 1.00 0.00 H new ATOM 0 HB2 PRO A 108 21.157 -9.063 0.865 1.00 0.00 H new ATOM 0 HB3 PRO A 108 21.882 -8.437 -0.602 1.00 0.00 H new ATOM 0 HG2 PRO A 108 19.057 -8.127 0.395 1.00 0.00 H new ATOM 0 HG3 PRO A 108 20.105 -6.924 -0.330 1.00 0.00 H new ATOM 0 HD2 PRO A 108 18.161 -8.174 -1.769 1.00 0.00 H new ATOM 0 HD3 PRO A 108 19.659 -7.654 -2.514 1.00 0.00 H new ATOM 1702 N GLN A 109 20.733 -12.222 0.342 1.00 0.00 N ATOM 1703 CA GLN A 109 20.264 -13.257 1.256 1.00 0.00 C ATOM 1704 C GLN A 109 20.784 -13.012 2.669 1.00 0.00 C ATOM 1705 O GLN A 109 20.066 -13.211 3.649 1.00 0.00 O ATOM 1706 CB GLN A 109 20.709 -14.637 0.768 1.00 0.00 C ATOM 1707 CG GLN A 109 19.792 -15.233 -0.288 1.00 0.00 C ATOM 1708 CD GLN A 109 18.596 -15.945 0.312 1.00 0.00 C ATOM 1709 OE1 GLN A 109 18.626 -17.156 0.535 1.00 0.00 O ATOM 1710 NE2 GLN A 109 17.533 -15.195 0.578 1.00 0.00 N ATOM 0 H GLN A 109 21.668 -12.382 -0.033 1.00 0.00 H new ATOM 0 HA GLN A 109 19.175 -13.221 1.278 1.00 0.00 H new ATOM 0 HB2 GLN A 109 21.717 -14.562 0.361 1.00 0.00 H new ATOM 0 HB3 GLN A 109 20.759 -15.316 1.619 1.00 0.00 H new ATOM 0 HG2 GLN A 109 19.444 -14.440 -0.950 1.00 0.00 H new ATOM 0 HG3 GLN A 109 20.358 -15.935 -0.901 1.00 0.00 H new ATOM 0 HE21 GLN A 109 17.551 -14.195 0.377 1.00 0.00 H new ATOM 0 HE22 GLN A 109 16.698 -15.619 0.983 1.00 0.00 H new ATOM 1719 N THR A 110 22.037 -12.580 2.766 1.00 0.00 N ATOM 1720 CA THR A 110 22.654 -12.309 4.059 1.00 0.00 C ATOM 1721 C THR A 110 22.184 -10.973 4.623 1.00 0.00 C ATOM 1722 O THR A 110 22.065 -9.988 3.895 1.00 0.00 O ATOM 1723 CB THR A 110 24.191 -12.298 3.957 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.618 -11.229 3.106 1.00 0.00 O ATOM 1725 CG2 THR A 110 24.706 -13.622 3.413 1.00 0.00 C ATOM 0 H THR A 110 22.645 -12.410 1.965 1.00 0.00 H new ATOM 0 HA THR A 110 22.348 -13.112 4.730 1.00 0.00 H new ATOM 0 HB THR A 110 24.599 -12.150 4.957 1.00 0.00 H new ATOM 0 HG1 THR A 110 25.596 -11.228 3.048 1.00 0.00 H new ATOM 0 HG21 THR A 110 25.794 -13.591 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 110 24.404 -14.431 4.078 1.00 0.00 H new ATOM 0 HG23 THR A 110 24.290 -13.794 2.420 1.00 0.00 H new ATOM 1733 N ASP A 111 21.919 -10.947 5.925 1.00 0.00 N ATOM 1734 CA ASP A 111 21.463 -9.730 6.588 1.00 0.00 C ATOM 1735 C ASP A 111 22.458 -8.593 6.379 1.00 0.00 C ATOM 1736 O ASP A 111 22.078 -7.486 5.999 1.00 0.00 O ATOM 1737 CB ASP A 111 21.265 -9.983 8.083 1.00 0.00 C ATOM 1738 CG ASP A 111 22.533 -10.459 8.763 1.00 0.00 C ATOM 1739 OD1 ASP A 111 23.039 -11.537 8.388 1.00 0.00 O ATOM 1740 OD2 ASP A 111 23.020 -9.753 9.671 1.00 0.00 O ATOM 0 H ASP A 111 22.012 -11.754 6.542 1.00 0.00 H new ATOM 0 HA ASP A 111 20.509 -9.440 6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 111 20.922 -9.066 8.561 1.00 0.00 H new ATOM 0 HB3 ASP A 111 20.481 -10.727 8.222 1.00 0.00 H new ATOM 1745 N GLN A 112 23.733 -8.874 6.631 1.00 0.00 N ATOM 1746 CA GLN A 112 24.781 -7.874 6.473 1.00 0.00 C ATOM 1747 C GLN A 112 24.520 -7.001 5.249 1.00 0.00 C ATOM 1748 O GLN A 112 24.671 -5.781 5.302 1.00 0.00 O ATOM 1749 CB GLN A 112 26.147 -8.551 6.349 1.00 0.00 C ATOM 1750 CG GLN A 112 26.245 -9.514 5.177 1.00 0.00 C ATOM 1751 CD GLN A 112 27.631 -10.108 5.023 1.00 0.00 C ATOM 1752 OE1 GLN A 112 28.614 -9.384 4.861 1.00 0.00 O ATOM 1753 NE2 GLN A 112 27.717 -11.432 5.073 1.00 0.00 N ATOM 0 H GLN A 112 24.064 -9.786 6.945 1.00 0.00 H new ATOM 0 HA GLN A 112 24.778 -7.238 7.358 1.00 0.00 H new ATOM 0 HB2 GLN A 112 26.915 -7.784 6.244 1.00 0.00 H new ATOM 0 HB3 GLN A 112 26.360 -9.091 7.271 1.00 0.00 H new ATOM 0 HG2 GLN A 112 25.522 -10.319 5.312 1.00 0.00 H new ATOM 0 HG3 GLN A 112 25.974 -8.992 4.259 1.00 0.00 H new ATOM 0 HE21 GLN A 112 26.876 -11.993 5.209 1.00 0.00 H new ATOM 0 HE22 GLN A 112 28.624 -11.888 4.976 1.00 0.00 H new ATOM 1762 N ALA A 113 24.129 -7.635 4.149 1.00 0.00 N ATOM 1763 CA ALA A 113 23.845 -6.916 2.913 1.00 0.00 C ATOM 1764 C ALA A 113 22.445 -6.313 2.938 1.00 0.00 C ATOM 1765 O ALA A 113 22.273 -5.109 2.742 1.00 0.00 O ATOM 1766 CB ALA A 113 24.002 -7.843 1.716 1.00 0.00 C ATOM 0 H ALA A 113 24.002 -8.645 4.088 1.00 0.00 H new ATOM 0 HA ALA A 113 24.562 -6.100 2.823 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.787 -7.293 0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 113 25.023 -8.222 1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.308 -8.678 1.809 1.00 0.00 H new ATOM 1772 N VAL A 114 21.446 -7.156 3.178 1.00 0.00 N ATOM 1773 CA VAL A 114 20.060 -6.705 3.228 1.00 0.00 C ATOM 1774 C VAL A 114 19.952 -5.334 3.885 1.00 0.00 C ATOM 1775 O VAL A 114 19.451 -4.385 3.283 1.00 0.00 O ATOM 1776 CB VAL A 114 19.174 -7.702 3.998 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.726 -7.235 4.003 1.00 0.00 C ATOM 1778 CG2 VAL A 114 19.291 -9.094 3.395 1.00 0.00 C ATOM 0 H VAL A 114 21.570 -8.155 3.341 1.00 0.00 H new ATOM 0 HA VAL A 114 19.710 -6.639 2.198 1.00 0.00 H new ATOM 0 HB VAL A 114 19.520 -7.748 5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 114 17.115 -7.952 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.660 -6.259 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.365 -7.160 2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.659 -9.786 3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.971 -9.067 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 114 20.327 -9.427 3.448 1.00 0.00 H new ATOM 1788 N GLU A 115 20.427 -5.238 5.123 1.00 0.00 N ATOM 1789 CA GLU A 115 20.383 -3.981 5.862 1.00 0.00 C ATOM 1790 C GLU A 115 20.820 -2.816 4.980 1.00 0.00 C ATOM 1791 O GLU A 115 20.204 -1.750 4.989 1.00 0.00 O ATOM 1792 CB GLU A 115 21.277 -4.061 7.101 1.00 0.00 C ATOM 1793 CG GLU A 115 21.070 -2.913 8.076 1.00 0.00 C ATOM 1794 CD GLU A 115 22.068 -2.930 9.217 1.00 0.00 C ATOM 1795 OE1 GLU A 115 23.237 -2.555 8.987 1.00 0.00 O ATOM 1796 OE2 GLU A 115 21.681 -3.318 10.339 1.00 0.00 O ATOM 0 H GLU A 115 20.846 -6.014 5.635 1.00 0.00 H new ATOM 0 HA GLU A 115 19.353 -3.809 6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.087 -5.003 7.616 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.320 -4.075 6.786 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.152 -1.967 7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.059 -2.963 8.481 1.00 0.00 H new ATOM 1803 N PHE A 116 21.889 -3.026 4.218 1.00 0.00 N ATOM 1804 CA PHE A 116 22.411 -1.993 3.331 1.00 0.00 C ATOM 1805 C PHE A 116 21.533 -1.847 2.091 1.00 0.00 C ATOM 1806 O PHE A 116 20.982 -0.777 1.831 1.00 0.00 O ATOM 1807 CB PHE A 116 23.846 -2.325 2.917 1.00 0.00 C ATOM 1808 CG PHE A 116 24.844 -2.155 4.025 1.00 0.00 C ATOM 1809 CD1 PHE A 116 24.984 -0.935 4.668 1.00 0.00 C ATOM 1810 CD2 PHE A 116 25.643 -3.214 4.425 1.00 0.00 C ATOM 1811 CE1 PHE A 116 25.903 -0.775 5.688 1.00 0.00 C ATOM 1812 CE2 PHE A 116 26.563 -3.060 5.445 1.00 0.00 C ATOM 1813 CZ PHE A 116 26.693 -1.840 6.078 1.00 0.00 C ATOM 0 H PHE A 116 22.410 -3.902 4.197 1.00 0.00 H new ATOM 0 HA PHE A 116 22.406 -1.047 3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 116 23.884 -3.354 2.560 1.00 0.00 H new ATOM 0 HB3 PHE A 116 24.131 -1.687 2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.368 -0.100 4.369 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.546 -4.171 3.934 1.00 0.00 H new ATOM 0 HE1 PHE A 116 26.004 0.181 6.180 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.180 -3.894 5.747 1.00 0.00 H new ATOM 0 HZ PHE A 116 27.410 -1.718 6.876 1.00 0.00 H new ATOM 1823 N PHE A 117 21.408 -2.929 1.331 1.00 0.00 N ATOM 1824 CA PHE A 117 20.599 -2.921 0.117 1.00 0.00 C ATOM 1825 C PHE A 117 19.343 -2.076 0.307 1.00 0.00 C ATOM 1826 O PHE A 117 19.068 -1.169 -0.480 1.00 0.00 O ATOM 1827 CB PHE A 117 20.212 -4.349 -0.272 1.00 0.00 C ATOM 1828 CG PHE A 117 19.087 -4.416 -1.265 1.00 0.00 C ATOM 1829 CD1 PHE A 117 19.202 -3.807 -2.504 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.914 -5.088 -0.959 1.00 0.00 C ATOM 1831 CE1 PHE A 117 18.168 -3.867 -3.420 1.00 0.00 C ATOM 1832 CE2 PHE A 117 16.877 -5.151 -1.871 1.00 0.00 C ATOM 1833 CZ PHE A 117 17.005 -4.540 -3.103 1.00 0.00 C ATOM 0 H PHE A 117 21.856 -3.823 1.534 1.00 0.00 H new ATOM 0 HA PHE A 117 21.194 -2.482 -0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 117 21.084 -4.853 -0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.926 -4.897 0.626 1.00 0.00 H new ATOM 0 HD1 PHE A 117 20.110 -3.279 -2.757 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.809 -5.568 0.003 1.00 0.00 H new ATOM 0 HE1 PHE A 117 18.270 -3.388 -4.383 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.968 -5.677 -1.620 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.196 -4.589 -3.817 1.00 0.00 H new ATOM 1843 N ILE A 118 18.584 -2.380 1.355 1.00 0.00 N ATOM 1844 CA ILE A 118 17.358 -1.648 1.648 1.00 0.00 C ATOM 1845 C ILE A 118 17.651 -0.181 1.942 1.00 0.00 C ATOM 1846 O ILE A 118 16.895 0.705 1.542 1.00 0.00 O ATOM 1847 CB ILE A 118 16.610 -2.261 2.846 1.00 0.00 C ATOM 1848 CG1 ILE A 118 16.225 -3.711 2.548 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.375 -1.437 3.177 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.661 -4.445 3.744 1.00 0.00 C ATOM 0 H ILE A 118 18.797 -3.128 2.015 1.00 0.00 H new ATOM 0 HA ILE A 118 16.728 -1.719 0.762 1.00 0.00 H new ATOM 0 HB ILE A 118 17.272 -2.252 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.490 -3.725 1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 118 17.104 -4.245 2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 118 14.857 -1.883 4.026 1.00 0.00 H new ATOM 0 HG22 ILE A 118 15.673 -0.419 3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.709 -1.418 2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.410 -5.467 3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.402 -4.463 4.543 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.763 -3.935 4.094 1.00 0.00 H new ATOM 1862 N ARG A 119 18.753 0.069 2.641 1.00 0.00 N ATOM 1863 CA ARG A 119 19.146 1.429 2.987 1.00 0.00 C ATOM 1864 C ARG A 119 19.445 2.245 1.733 1.00 0.00 C ATOM 1865 O ARG A 119 18.930 3.350 1.561 1.00 0.00 O ATOM 1866 CB ARG A 119 20.373 1.411 3.902 1.00 0.00 C ATOM 1867 CG ARG A 119 20.029 1.320 5.379 1.00 0.00 C ATOM 1868 CD ARG A 119 21.272 1.437 6.248 1.00 0.00 C ATOM 1869 NE ARG A 119 21.079 0.834 7.564 1.00 0.00 N ATOM 1870 CZ ARG A 119 21.775 1.180 8.641 1.00 0.00 C ATOM 1871 NH1 ARG A 119 22.706 2.121 8.558 1.00 0.00 N ATOM 1872 NH2 ARG A 119 21.541 0.585 9.803 1.00 0.00 N ATOM 0 H ARG A 119 19.390 -0.653 2.979 1.00 0.00 H new ATOM 0 HA ARG A 119 18.315 1.897 3.514 1.00 0.00 H new ATOM 0 HB2 ARG A 119 21.005 0.565 3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 119 20.958 2.314 3.729 1.00 0.00 H new ATOM 0 HG2 ARG A 119 19.326 2.111 5.639 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.531 0.372 5.580 1.00 0.00 H new ATOM 0 HD2 ARG A 119 22.111 0.954 5.747 1.00 0.00 H new ATOM 0 HD3 ARG A 119 21.534 2.488 6.366 1.00 0.00 H new ATOM 0 HE ARG A 119 20.370 0.107 7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 119 22.889 2.580 7.666 1.00 0.00 H new ATOM 0 HH12 ARG A 119 23.239 2.385 9.386 1.00 0.00 H new ATOM 0 HH21 ARG A 119 20.826 -0.139 9.870 1.00 0.00 H new ATOM 0 HH22 ARG A 119 22.076 0.852 10.629 1.00 0.00 H new ATOM 1886 N ASP A 120 20.282 1.694 0.861 1.00 0.00 N ATOM 1887 CA ASP A 120 20.650 2.370 -0.378 1.00 0.00 C ATOM 1888 C ASP A 120 19.508 2.312 -1.388 1.00 0.00 C ATOM 1889 O ASP A 120 19.549 2.972 -2.427 1.00 0.00 O ATOM 1890 CB ASP A 120 21.908 1.737 -0.975 1.00 0.00 C ATOM 1891 CG ASP A 120 22.985 1.499 0.065 1.00 0.00 C ATOM 1892 OD1 ASP A 120 23.098 2.318 1.001 1.00 0.00 O ATOM 1893 OD2 ASP A 120 23.716 0.493 -0.057 1.00 0.00 O ATOM 0 H ASP A 120 20.719 0.781 0.989 1.00 0.00 H new ATOM 0 HA ASP A 120 20.854 3.415 -0.146 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.646 0.790 -1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.300 2.385 -1.759 1.00 0.00 H new ATOM 1898 N LYS A 121 18.490 1.517 -1.078 1.00 0.00 N ATOM 1899 CA LYS A 121 17.336 1.371 -1.957 1.00 0.00 C ATOM 1900 C LYS A 121 16.173 2.233 -1.476 1.00 0.00 C ATOM 1901 O LYS A 121 15.260 2.544 -2.241 1.00 0.00 O ATOM 1902 CB LYS A 121 16.903 -0.095 -2.027 1.00 0.00 C ATOM 1903 CG LYS A 121 15.755 -0.345 -2.989 1.00 0.00 C ATOM 1904 CD LYS A 121 15.549 -1.830 -3.237 1.00 0.00 C ATOM 1905 CE LYS A 121 14.266 -2.093 -4.011 1.00 0.00 C ATOM 1906 NZ LYS A 121 13.715 -3.447 -3.727 1.00 0.00 N ATOM 0 H LYS A 121 18.441 0.963 -0.223 1.00 0.00 H new ATOM 0 HA LYS A 121 17.626 1.705 -2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.756 -0.703 -2.327 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.610 -0.426 -1.031 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.840 0.088 -2.585 1.00 0.00 H new ATOM 0 HG3 LYS A 121 15.955 0.158 -3.935 1.00 0.00 H new ATOM 0 HD2 LYS A 121 16.398 -2.229 -3.792 1.00 0.00 H new ATOM 0 HD3 LYS A 121 15.515 -2.358 -2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 121 13.524 -1.337 -3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 121 14.460 -1.996 -5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 12.678 -3.423 -3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 14.097 -4.128 -4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 13.985 -3.737 -2.765 1.00 0.00 H new ATOM 1920 N TYR A 122 16.214 2.616 -0.205 1.00 0.00 N ATOM 1921 CA TYR A 122 15.162 3.442 0.378 1.00 0.00 C ATOM 1922 C TYR A 122 15.737 4.737 0.943 1.00 0.00 C ATOM 1923 O TYR A 122 15.257 5.827 0.635 1.00 0.00 O ATOM 1924 CB TYR A 122 14.432 2.671 1.480 1.00 0.00 C ATOM 1925 CG TYR A 122 13.431 1.668 0.955 1.00 0.00 C ATOM 1926 CD1 TYR A 122 13.809 0.360 0.677 1.00 0.00 C ATOM 1927 CD2 TYR A 122 12.107 2.027 0.737 1.00 0.00 C ATOM 1928 CE1 TYR A 122 12.898 -0.561 0.197 1.00 0.00 C ATOM 1929 CE2 TYR A 122 11.188 1.112 0.259 1.00 0.00 C ATOM 1930 CZ TYR A 122 11.589 -0.180 -0.010 1.00 0.00 C ATOM 1931 OH TYR A 122 10.677 -1.093 -0.488 1.00 0.00 O ATOM 0 H TYR A 122 16.963 2.368 0.441 1.00 0.00 H new ATOM 0 HA TYR A 122 14.453 3.694 -0.411 1.00 0.00 H new ATOM 0 HB2 TYR A 122 15.166 2.151 2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.917 3.380 2.128 1.00 0.00 H new ATOM 0 HD1 TYR A 122 14.833 0.058 0.839 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.790 3.038 0.945 1.00 0.00 H new ATOM 0 HE1 TYR A 122 13.209 -1.573 -0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 122 10.162 1.407 0.097 1.00 0.00 H new ATOM 0 HH TYR A 122 11.012 -2.001 -0.335 1.00 0.00 H new ATOM 1941 N GLU A 123 16.769 4.608 1.771 1.00 0.00 N ATOM 1942 CA GLU A 123 17.410 5.768 2.380 1.00 0.00 C ATOM 1943 C GLU A 123 18.051 6.655 1.316 1.00 0.00 C ATOM 1944 O GLU A 123 17.554 7.739 1.014 1.00 0.00 O ATOM 1945 CB GLU A 123 18.466 5.322 3.393 1.00 0.00 C ATOM 1946 CG GLU A 123 18.679 6.312 4.526 1.00 0.00 C ATOM 1947 CD GLU A 123 19.895 5.981 5.369 1.00 0.00 C ATOM 1948 OE1 GLU A 123 19.990 4.833 5.850 1.00 0.00 O ATOM 1949 OE2 GLU A 123 20.753 6.872 5.546 1.00 0.00 O ATOM 0 H GLU A 123 17.179 3.712 2.035 1.00 0.00 H new ATOM 0 HA GLU A 123 16.644 6.346 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.171 4.360 3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.412 5.167 2.874 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.791 7.314 4.112 1.00 0.00 H new ATOM 0 HG3 GLU A 123 17.794 6.327 5.162 1.00 0.00 H new ATOM 1956 N LYS A 124 19.160 6.186 0.753 1.00 0.00 N ATOM 1957 CA LYS A 124 19.871 6.934 -0.276 1.00 0.00 C ATOM 1958 C LYS A 124 19.004 7.108 -1.519 1.00 0.00 C ATOM 1959 O LYS A 124 19.196 8.042 -2.297 1.00 0.00 O ATOM 1960 CB LYS A 124 21.174 6.220 -0.646 1.00 0.00 C ATOM 1961 CG LYS A 124 22.016 5.830 0.556 1.00 0.00 C ATOM 1962 CD LYS A 124 23.494 5.782 0.210 1.00 0.00 C ATOM 1963 CE LYS A 124 23.781 4.749 -0.869 1.00 0.00 C ATOM 1964 NZ LYS A 124 25.242 4.528 -1.052 1.00 0.00 N ATOM 0 H LYS A 124 19.586 5.291 0.993 1.00 0.00 H new ATOM 0 HA LYS A 124 20.105 7.921 0.124 1.00 0.00 H new ATOM 0 HB2 LYS A 124 20.937 5.324 -1.219 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.762 6.868 -1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 124 21.853 6.545 1.363 1.00 0.00 H new ATOM 0 HG3 LYS A 124 21.696 4.855 0.925 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.821 6.765 -0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 124 24.071 5.545 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 124 23.301 3.806 -0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 124 23.343 5.077 -1.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 25.395 3.817 -1.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 25.696 5.422 -1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 25.656 4.190 -0.160 1.00 0.00 H new ATOM 1978 N LYS A 125 18.048 6.203 -1.699 1.00 0.00 N ATOM 1979 CA LYS A 125 17.149 6.257 -2.846 1.00 0.00 C ATOM 1980 C LYS A 125 17.928 6.162 -4.154 1.00 0.00 C ATOM 1981 O LYS A 125 17.597 6.826 -5.136 1.00 0.00 O ATOM 1982 CB LYS A 125 16.333 7.551 -2.819 1.00 0.00 C ATOM 1983 CG LYS A 125 15.350 7.628 -1.664 1.00 0.00 C ATOM 1984 CD LYS A 125 14.247 6.592 -1.801 1.00 0.00 C ATOM 1985 CE LYS A 125 13.066 6.912 -0.898 1.00 0.00 C ATOM 1986 NZ LYS A 125 12.405 8.190 -1.283 1.00 0.00 N ATOM 0 H LYS A 125 17.876 5.423 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 125 16.471 5.405 -2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 125 17.015 8.399 -2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 125 15.786 7.645 -3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 125 15.879 7.475 -0.724 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.911 8.625 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.913 6.550 -2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.640 5.606 -1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.341 6.099 -0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 125 13.406 6.976 0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.424 8.191 -0.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 12.921 8.988 -0.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 12.408 8.284 -2.319 1.00 0.00 H new ATOM 2000 N LYS A 126 18.964 5.330 -4.160 1.00 0.00 N ATOM 2001 CA LYS A 126 19.789 5.144 -5.348 1.00 0.00 C ATOM 2002 C LYS A 126 18.955 4.627 -6.515 1.00 0.00 C ATOM 2003 O LYS A 126 18.867 5.272 -7.561 1.00 0.00 O ATOM 2004 CB LYS A 126 20.932 4.170 -5.053 1.00 0.00 C ATOM 2005 CG LYS A 126 22.203 4.850 -4.575 1.00 0.00 C ATOM 2006 CD LYS A 126 23.293 3.838 -4.262 1.00 0.00 C ATOM 2007 CE LYS A 126 24.043 3.419 -5.517 1.00 0.00 C ATOM 2008 NZ LYS A 126 25.124 4.383 -5.864 1.00 0.00 N ATOM 0 H LYS A 126 19.252 4.774 -3.355 1.00 0.00 H new ATOM 0 HA LYS A 126 20.207 6.112 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.605 3.457 -4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 126 21.153 3.598 -5.954 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.556 5.542 -5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 126 21.988 5.441 -3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 126 23.993 4.266 -3.545 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.851 2.960 -3.791 1.00 0.00 H new ATOM 0 HE2 LYS A 126 24.473 2.428 -5.369 1.00 0.00 H new ATOM 0 HE3 LYS A 126 23.344 3.342 -6.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 25.612 4.063 -6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 24.711 5.323 -6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 25.805 4.438 -5.080 1.00 0.00 H new ATOM 2022 N TYR A 127 18.343 3.463 -6.329 1.00 0.00 N ATOM 2023 CA TYR A 127 17.517 2.860 -7.368 1.00 0.00 C ATOM 2024 C TYR A 127 16.094 3.408 -7.318 1.00 0.00 C ATOM 2025 O TYR A 127 15.133 2.703 -7.629 1.00 0.00 O ATOM 2026 CB TYR A 127 17.494 1.338 -7.212 1.00 0.00 C ATOM 2027 CG TYR A 127 18.829 0.751 -6.810 1.00 0.00 C ATOM 2028 CD1 TYR A 127 19.235 0.744 -5.481 1.00 0.00 C ATOM 2029 CD2 TYR A 127 19.684 0.205 -7.759 1.00 0.00 C ATOM 2030 CE1 TYR A 127 20.453 0.210 -5.109 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.904 -0.333 -7.396 1.00 0.00 C ATOM 2032 CZ TYR A 127 21.284 -0.328 -6.070 1.00 0.00 C ATOM 2033 OH TYR A 127 22.498 -0.862 -5.705 1.00 0.00 O ATOM 0 H TYR A 127 18.403 2.918 -5.469 1.00 0.00 H new ATOM 0 HA TYR A 127 17.952 3.113 -8.335 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.748 1.069 -6.464 1.00 0.00 H new ATOM 0 HB3 TYR A 127 17.178 0.889 -8.154 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.587 1.163 -4.726 1.00 0.00 H new ATOM 0 HD2 TYR A 127 19.390 0.201 -8.798 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.753 0.213 -4.072 1.00 0.00 H new ATOM 0 HE2 TYR A 127 21.556 -0.755 -8.146 1.00 0.00 H new ATOM 0 HH TYR A 127 22.960 -1.199 -6.501 1.00 0.00 H new ATOM 2043 N TYR A 128 15.967 4.671 -6.926 1.00 0.00 N ATOM 2044 CA TYR A 128 14.662 5.315 -6.834 1.00 0.00 C ATOM 2045 C TYR A 128 14.346 6.091 -8.109 1.00 0.00 C ATOM 2046 O TYR A 128 15.055 7.032 -8.468 1.00 0.00 O ATOM 2047 CB TYR A 128 14.618 6.254 -5.627 1.00 0.00 C ATOM 2048 CG TYR A 128 13.266 6.895 -5.408 1.00 0.00 C ATOM 2049 CD1 TYR A 128 12.194 6.154 -4.926 1.00 0.00 C ATOM 2050 CD2 TYR A 128 13.062 8.242 -5.682 1.00 0.00 C ATOM 2051 CE1 TYR A 128 10.957 6.736 -4.725 1.00 0.00 C ATOM 2052 CE2 TYR A 128 11.829 8.832 -5.483 1.00 0.00 C ATOM 2053 CZ TYR A 128 10.780 8.075 -5.004 1.00 0.00 C ATOM 2054 OH TYR A 128 9.549 8.658 -4.804 1.00 0.00 O ATOM 0 H TYR A 128 16.752 5.269 -6.667 1.00 0.00 H new ATOM 0 HA TYR A 128 13.909 4.537 -6.708 1.00 0.00 H new ATOM 0 HB2 TYR A 128 14.895 5.696 -4.733 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.365 7.037 -5.759 1.00 0.00 H new ATOM 0 HD1 TYR A 128 12.330 5.106 -4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 128 13.881 8.838 -6.057 1.00 0.00 H new ATOM 0 HE1 TYR A 128 10.133 6.146 -4.352 1.00 0.00 H new ATOM 0 HE2 TYR A 128 11.687 9.880 -5.701 1.00 0.00 H new ATOM 0 HH TYR A 128 9.593 9.606 -5.048 1.00 0.00 H new ATOM 2064 N ASP A 129 13.278 5.690 -8.788 1.00 0.00 N ATOM 2065 CA ASP A 129 12.865 6.348 -10.023 1.00 0.00 C ATOM 2066 C ASP A 129 11.947 7.530 -9.728 1.00 0.00 C ATOM 2067 O ASP A 129 10.796 7.353 -9.330 1.00 0.00 O ATOM 2068 CB ASP A 129 12.156 5.354 -10.943 1.00 0.00 C ATOM 2069 CG ASP A 129 12.103 5.832 -12.381 1.00 0.00 C ATOM 2070 OD1 ASP A 129 11.145 6.551 -12.732 1.00 0.00 O ATOM 2071 OD2 ASP A 129 13.020 5.487 -13.156 1.00 0.00 O ATOM 0 H ASP A 129 12.682 4.912 -8.505 1.00 0.00 H new ATOM 0 HA ASP A 129 13.759 6.721 -10.523 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.670 4.394 -10.901 1.00 0.00 H new ATOM 0 HB3 ASP A 129 11.141 5.188 -10.581 1.00 0.00 H new