USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 805 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 102 THR OG1 : rot -30:sc= 0.304 USER MOD Set 1.2: A 103 HIS : no HD1:sc= -0.116 X(o=0.19,f=0.3) USER MOD Set 2.1: A 73 TYR OH : rot 12:sc= 1.12 USER MOD Set 2.2: A 107 SER OG : rot -62:sc= 1.07 USER MOD Set 3.1: A 34 LYS NZ :NH3+ 158:sc= 0 (180deg=0) USER MOD Set 3.2: A 68 ASN : amide:sc= -1.48! X(o=-1.5!,f=-1.1) USER MOD Set 4.1: A 51 ASN : amide:sc= -0.155 X(o=-0.01,f=-0.37) USER MOD Set 4.2: A 58 LYS NZ :NH3+ -168:sc= 0.145 (180deg=-0.0329) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.79 X(o=-0.79,f=-1) USER MOD Single : A 23 THR OG1 : rot 78:sc= -2.55! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc=-0.00026 USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -59:sc= 0.871 USER MOD Single : A 37 SER OG : rot -160:sc= 1.19 USER MOD Single : A 43 GLN : amide:sc= -0.0029 X(o=-0.0029,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0587 USER MOD Single : A 48 CYS SG : rot 180:sc= -0.228 USER MOD Single : A 66 THR OG1 : rot -102:sc= 0.457 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.274 X(o=-0.27,f=-0.03) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot -56:sc= 0.00578 USER MOD Single : A 81 LYS NZ :NH3+ -134:sc= -1.83 (180deg=-4.18!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl 149:sc= -0.153 (180deg=-0.601) USER MOD Single : A 99 HIS :FLIP no HD1:sc= -2.33! C(o=-4.4!,f=-2.3!) USER MOD Single : A 100 TYR OH : rot -40:sc= -2.98! USER MOD Single : A 101 HIS :FLIP no HD1:sc= -3.94! C(o=-5!,f=-3.9!) USER MOD Single : A 108 HIS : no HD1:sc= -4.15! C(o=-4.2!,f=-13!) USER MOD Single : A 109 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.9) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 117 TYR OH : rot -30:sc= -1.08 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N PRO A 14 -3.297 1.369 -15.089 1.00 0.00 N ATOM 168 CA PRO A 14 -2.059 1.296 -14.307 1.00 0.00 C ATOM 169 C PRO A 14 -2.323 1.042 -12.826 1.00 0.00 C ATOM 170 O PRO A 14 -1.761 0.120 -12.234 1.00 0.00 O ATOM 171 CB PRO A 14 -1.430 2.676 -14.509 1.00 0.00 C ATOM 172 CG PRO A 14 -2.577 3.575 -14.818 1.00 0.00 C ATOM 173 CD PRO A 14 -3.570 2.733 -15.571 1.00 0.00 C ATOM 0 HA PRO A 14 -1.422 0.471 -14.628 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.900 3.004 -13.615 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.705 2.665 -15.323 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.017 3.975 -13.904 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -2.255 4.428 -15.416 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.595 3.036 -15.360 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.429 2.814 -16.649 1.00 0.00 H new ATOM 181 N LEU A 15 -3.182 1.865 -12.234 1.00 0.00 N ATOM 182 CA LEU A 15 -3.521 1.729 -10.822 1.00 0.00 C ATOM 183 C LEU A 15 -5.027 1.569 -10.636 1.00 0.00 C ATOM 184 O LEU A 15 -5.780 2.542 -10.604 1.00 0.00 O ATOM 185 CB LEU A 15 -3.026 2.946 -10.039 1.00 0.00 C ATOM 186 CG LEU A 15 -1.639 2.819 -9.407 1.00 0.00 C ATOM 187 CD1 LEU A 15 -1.620 1.692 -8.385 1.00 0.00 C ATOM 188 CD2 LEU A 15 -0.584 2.588 -10.478 1.00 0.00 C ATOM 0 H LEU A 15 -3.656 2.633 -12.710 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.029 0.834 -10.441 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.021 3.806 -10.708 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.745 3.162 -9.249 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.408 3.752 -8.893 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.625 1.616 -7.946 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.348 1.899 -7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.873 0.752 -8.875 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.396 2.500 -10.010 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.811 1.670 -11.020 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.580 3.428 -11.172 1.00 0.00 H new ATOM 200 N PRO A 16 -5.477 0.312 -10.509 1.00 0.00 N ATOM 201 CA PRO A 16 -6.896 -0.005 -10.322 1.00 0.00 C ATOM 202 C PRO A 16 -7.409 0.422 -8.951 1.00 0.00 C ATOM 203 O PRO A 16 -6.707 0.296 -7.948 1.00 0.00 O ATOM 204 CB PRO A 16 -6.940 -1.529 -10.458 1.00 0.00 C ATOM 205 CG PRO A 16 -5.571 -1.983 -10.083 1.00 0.00 C ATOM 206 CD PRO A 16 -4.636 -0.896 -10.538 1.00 0.00 C ATOM 0 HA PRO A 16 -7.529 0.519 -11.038 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.695 -1.963 -9.802 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.192 -1.829 -11.475 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.493 -2.140 -9.007 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.329 -2.932 -10.562 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.776 -0.803 -9.875 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.248 -1.092 -11.538 1.00 0.00 H new ATOM 214 N ASN A 17 -8.638 0.926 -8.915 1.00 0.00 N ATOM 215 CA ASN A 17 -9.246 1.372 -7.666 1.00 0.00 C ATOM 216 C ASN A 17 -9.246 0.251 -6.631 1.00 0.00 C ATOM 217 O ASN A 17 -9.486 0.486 -5.447 1.00 0.00 O ATOM 218 CB ASN A 17 -10.677 1.854 -7.914 1.00 0.00 C ATOM 219 CG ASN A 17 -10.739 3.330 -8.253 1.00 0.00 C ATOM 220 OD1 ASN A 17 -9.793 3.892 -8.806 1.00 0.00 O ATOM 221 ND2 ASN A 17 -11.857 3.967 -7.923 1.00 0.00 N ATOM 0 H ASN A 17 -9.233 1.036 -9.736 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.654 2.201 -7.278 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.115 1.278 -8.729 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.281 1.662 -7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.957 4.961 -8.127 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.616 3.462 -7.466 1.00 0.00 H new ATOM 228 N SER A 18 -8.976 -0.968 -7.087 1.00 0.00 N ATOM 229 CA SER A 18 -8.949 -2.126 -6.202 1.00 0.00 C ATOM 230 C SER A 18 -7.859 -1.976 -5.144 1.00 0.00 C ATOM 231 O SER A 18 -8.109 -2.142 -3.951 1.00 0.00 O ATOM 232 CB SER A 18 -8.720 -3.406 -7.009 1.00 0.00 C ATOM 233 OG SER A 18 -9.729 -3.579 -7.988 1.00 0.00 O ATOM 0 H SER A 18 -8.773 -1.179 -8.064 1.00 0.00 H new ATOM 0 HA SER A 18 -9.914 -2.190 -5.698 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.744 -3.365 -7.492 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.708 -4.265 -6.338 1.00 0.00 H new ATOM 0 HG SER A 18 -9.559 -4.403 -8.491 1.00 0.00 H new ATOM 239 N VAL A 19 -6.648 -1.661 -5.592 1.00 0.00 N ATOM 240 CA VAL A 19 -5.519 -1.488 -4.686 1.00 0.00 C ATOM 241 C VAL A 19 -5.808 -0.408 -3.650 1.00 0.00 C ATOM 242 O VAL A 19 -5.318 -0.468 -2.521 1.00 0.00 O ATOM 243 CB VAL A 19 -4.235 -1.117 -5.453 1.00 0.00 C ATOM 244 CG1 VAL A 19 -3.900 -2.187 -6.481 1.00 0.00 C ATOM 245 CG2 VAL A 19 -4.386 0.243 -6.117 1.00 0.00 C ATOM 0 H VAL A 19 -6.424 -1.520 -6.577 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.369 -2.442 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.411 -1.059 -4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.990 -1.908 -7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.747 -3.141 -5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.722 -2.279 -7.191 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.470 0.489 -6.654 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.221 0.215 -6.817 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.575 1.000 -5.356 1.00 0.00 H new ATOM 255 N PHE A 20 -6.607 0.580 -4.039 1.00 0.00 N ATOM 256 CA PHE A 20 -6.961 1.675 -3.143 1.00 0.00 C ATOM 257 C PHE A 20 -8.077 1.258 -2.189 1.00 0.00 C ATOM 258 O PHE A 20 -9.258 1.329 -2.528 1.00 0.00 O ATOM 259 CB PHE A 20 -7.395 2.901 -3.949 1.00 0.00 C ATOM 260 CG PHE A 20 -6.376 3.347 -4.958 1.00 0.00 C ATOM 261 CD1 PHE A 20 -6.255 2.695 -6.175 1.00 0.00 C ATOM 262 CD2 PHE A 20 -5.539 4.418 -4.690 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.319 3.104 -7.106 1.00 0.00 C ATOM 264 CE2 PHE A 20 -4.601 4.830 -5.617 1.00 0.00 C ATOM 265 CZ PHE A 20 -4.490 4.172 -6.826 1.00 0.00 C ATOM 0 H PHE A 20 -7.022 0.645 -4.969 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.080 1.929 -2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -8.329 2.676 -4.463 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.599 3.723 -3.263 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.900 1.858 -6.398 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.621 4.937 -3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.236 2.589 -8.052 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.955 5.667 -5.396 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.756 4.492 -7.551 1.00 0.00 H new ATOM 275 N VAL A 21 -7.693 0.821 -0.994 1.00 0.00 N ATOM 276 CA VAL A 21 -8.659 0.393 0.010 1.00 0.00 C ATOM 277 C VAL A 21 -8.982 1.524 0.980 1.00 0.00 C ATOM 278 O VAL A 21 -8.156 2.402 1.222 1.00 0.00 O ATOM 279 CB VAL A 21 -8.141 -0.820 0.807 1.00 0.00 C ATOM 280 CG1 VAL A 21 -6.848 -0.471 1.529 1.00 0.00 C ATOM 281 CG2 VAL A 21 -9.197 -1.302 1.789 1.00 0.00 C ATOM 0 H VAL A 21 -6.719 0.754 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.565 0.107 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.932 -1.630 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.497 -1.339 2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.092 -0.178 0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.027 0.354 2.218 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.814 -2.159 2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.440 -0.499 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.095 -1.594 1.244 1.00 0.00 H new ATOM 291 N ASN A 22 -10.190 1.495 1.533 1.00 0.00 N ATOM 292 CA ASN A 22 -10.623 2.518 2.478 1.00 0.00 C ATOM 293 C ASN A 22 -10.265 2.125 3.908 1.00 0.00 C ATOM 294 O ASN A 22 -10.922 2.542 4.862 1.00 0.00 O ATOM 295 CB ASN A 22 -12.132 2.743 2.362 1.00 0.00 C ATOM 296 CG ASN A 22 -12.621 3.858 3.265 1.00 0.00 C ATOM 297 OD1 ASN A 22 -11.985 4.907 3.376 1.00 0.00 O ATOM 298 ND2 ASN A 22 -13.757 3.637 3.916 1.00 0.00 N ATOM 0 H ASN A 22 -10.886 0.774 1.343 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.104 3.445 2.234 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -12.383 2.980 1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.655 1.820 2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -14.136 4.351 4.538 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.251 2.753 3.794 1.00 0.00 H new ATOM 305 N THR A 23 -9.216 1.320 4.049 1.00 0.00 N ATOM 306 CA THR A 23 -8.770 0.870 5.362 1.00 0.00 C ATOM 307 C THR A 23 -7.461 1.544 5.759 1.00 0.00 C ATOM 308 O THR A 23 -6.572 1.735 4.928 1.00 0.00 O ATOM 309 CB THR A 23 -8.578 -0.658 5.397 1.00 0.00 C ATOM 310 OG1 THR A 23 -8.788 -1.147 6.726 1.00 0.00 O ATOM 311 CG2 THR A 23 -7.183 -1.039 4.925 1.00 0.00 C ATOM 0 H THR A 23 -8.660 0.967 3.270 1.00 0.00 H new ATOM 0 HA THR A 23 -9.549 1.148 6.072 1.00 0.00 H new ATOM 0 HB THR A 23 -9.307 -1.110 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.750 -1.192 6.910 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.071 -2.123 4.958 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.037 -0.690 3.903 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.440 -0.577 5.575 1.00 0.00 H new ATOM 319 N THR A 24 -7.348 1.903 7.034 1.00 0.00 N ATOM 320 CA THR A 24 -6.148 2.556 7.541 1.00 0.00 C ATOM 321 C THR A 24 -5.423 1.670 8.547 1.00 0.00 C ATOM 322 O THR A 24 -4.783 2.164 9.474 1.00 0.00 O ATOM 323 CB THR A 24 -6.481 3.904 8.208 1.00 0.00 C ATOM 324 OG1 THR A 24 -7.474 3.716 9.222 1.00 0.00 O ATOM 325 CG2 THR A 24 -6.982 4.907 7.180 1.00 0.00 C ATOM 0 H THR A 24 -8.074 1.752 7.735 1.00 0.00 H new ATOM 0 HA THR A 24 -5.499 2.734 6.683 1.00 0.00 H new ATOM 0 HB THR A 24 -5.570 4.296 8.660 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.679 4.577 9.643 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.211 5.851 7.674 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.213 5.070 6.425 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.882 4.520 6.703 1.00 0.00 H new ATOM 333 N GLU A 25 -5.527 0.358 8.356 1.00 0.00 N ATOM 334 CA GLU A 25 -4.880 -0.597 9.248 1.00 0.00 C ATOM 335 C GLU A 25 -4.249 -1.739 8.458 1.00 0.00 C ATOM 336 O GLU A 25 -4.768 -2.152 7.421 1.00 0.00 O ATOM 337 CB GLU A 25 -5.890 -1.155 10.253 1.00 0.00 C ATOM 338 CG GLU A 25 -6.371 -0.129 11.266 1.00 0.00 C ATOM 339 CD GLU A 25 -6.763 -0.756 12.590 1.00 0.00 C ATOM 340 OE1 GLU A 25 -7.839 -1.386 12.653 1.00 0.00 O ATOM 341 OE2 GLU A 25 -5.993 -0.616 13.563 1.00 0.00 O ATOM 0 H GLU A 25 -6.053 -0.067 7.592 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.092 -0.073 9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.750 -1.549 9.711 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.437 -1.992 10.784 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.584 0.606 11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.226 0.408 10.855 1.00 0.00 H new ATOM 348 N SER A 26 -3.125 -2.245 8.955 1.00 0.00 N ATOM 349 CA SER A 26 -2.419 -3.336 8.294 1.00 0.00 C ATOM 350 C SER A 26 -3.137 -4.663 8.520 1.00 0.00 C ATOM 351 O SER A 26 -3.305 -5.456 7.593 1.00 0.00 O ATOM 352 CB SER A 26 -0.981 -3.427 8.808 1.00 0.00 C ATOM 353 OG SER A 26 -0.952 -3.621 10.211 1.00 0.00 O ATOM 0 H SER A 26 -2.684 -1.917 9.814 1.00 0.00 H new ATOM 0 HA SER A 26 -2.402 -3.129 7.224 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.466 -4.251 8.313 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.442 -2.515 8.553 1.00 0.00 H new ATOM 0 HG SER A 26 -0.022 -3.678 10.514 1.00 0.00 H new ATOM 359 N CYS A 27 -3.557 -4.897 9.758 1.00 0.00 N ATOM 360 CA CYS A 27 -4.257 -6.128 10.108 1.00 0.00 C ATOM 361 C CYS A 27 -5.402 -6.397 9.139 1.00 0.00 C ATOM 362 O CYS A 27 -5.566 -7.516 8.652 1.00 0.00 O ATOM 363 CB CYS A 27 -4.792 -6.047 11.539 1.00 0.00 C ATOM 364 SG CYS A 27 -3.523 -6.230 12.814 1.00 0.00 S ATOM 0 H CYS A 27 -3.425 -4.251 10.536 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.547 -6.952 10.040 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.292 -5.088 11.675 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.546 -6.822 11.678 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.073 -6.145 13.989 1.00 0.00 H new ATOM 370 N GLU A 28 -6.193 -5.365 8.864 1.00 0.00 N ATOM 371 CA GLU A 28 -7.326 -5.491 7.954 1.00 0.00 C ATOM 372 C GLU A 28 -6.866 -5.952 6.574 1.00 0.00 C ATOM 373 O GLU A 28 -7.288 -7.000 6.084 1.00 0.00 O ATOM 374 CB GLU A 28 -8.067 -4.158 7.838 1.00 0.00 C ATOM 375 CG GLU A 28 -9.198 -4.176 6.824 1.00 0.00 C ATOM 376 CD GLU A 28 -10.319 -3.220 7.182 1.00 0.00 C ATOM 377 OE1 GLU A 28 -10.712 -3.183 8.367 1.00 0.00 O ATOM 378 OE2 GLU A 28 -10.802 -2.508 6.277 1.00 0.00 O ATOM 0 H GLU A 28 -6.070 -4.432 9.258 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.005 -6.241 8.361 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.470 -3.890 8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.356 -3.379 7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.804 -3.916 5.842 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.598 -5.187 6.750 1.00 0.00 H new ATOM 385 N VAL A 29 -5.997 -5.162 5.952 1.00 0.00 N ATOM 386 CA VAL A 29 -5.478 -5.488 4.628 1.00 0.00 C ATOM 387 C VAL A 29 -5.107 -6.963 4.532 1.00 0.00 C ATOM 388 O VAL A 29 -5.489 -7.648 3.583 1.00 0.00 O ATOM 389 CB VAL A 29 -4.243 -4.636 4.284 1.00 0.00 C ATOM 390 CG1 VAL A 29 -3.554 -5.172 3.038 1.00 0.00 C ATOM 391 CG2 VAL A 29 -4.636 -3.178 4.101 1.00 0.00 C ATOM 0 H VAL A 29 -5.637 -4.291 6.343 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.272 -5.268 3.914 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.539 -4.697 5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.683 -4.557 2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.237 -6.200 3.212 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.248 -5.144 2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.751 -2.590 3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.360 -3.095 3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.079 -2.802 5.023 1.00 0.00 H new ATOM 401 N GLU A 30 -4.362 -7.446 5.521 1.00 0.00 N ATOM 402 CA GLU A 30 -3.939 -8.842 5.546 1.00 0.00 C ATOM 403 C GLU A 30 -5.139 -9.776 5.420 1.00 0.00 C ATOM 404 O GLU A 30 -5.099 -10.759 4.679 1.00 0.00 O ATOM 405 CB GLU A 30 -3.178 -9.144 6.839 1.00 0.00 C ATOM 406 CG GLU A 30 -2.207 -10.306 6.716 1.00 0.00 C ATOM 407 CD GLU A 30 -1.163 -10.313 7.816 1.00 0.00 C ATOM 408 OE1 GLU A 30 -1.530 -10.573 8.981 1.00 0.00 O ATOM 409 OE2 GLU A 30 0.021 -10.058 7.511 1.00 0.00 O ATOM 0 H GLU A 30 -4.039 -6.893 6.315 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.278 -9.010 4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.629 -8.253 7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.895 -9.363 7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.763 -11.243 6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.709 -10.257 5.748 1.00 0.00 H new ATOM 416 N ARG A 31 -6.205 -9.463 6.150 1.00 0.00 N ATOM 417 CA ARG A 31 -7.416 -10.274 6.121 1.00 0.00 C ATOM 418 C ARG A 31 -8.064 -10.236 4.740 1.00 0.00 C ATOM 419 O ARG A 31 -8.408 -11.275 4.175 1.00 0.00 O ATOM 420 CB ARG A 31 -8.409 -9.784 7.176 1.00 0.00 C ATOM 421 CG ARG A 31 -9.607 -10.701 7.358 1.00 0.00 C ATOM 422 CD ARG A 31 -10.698 -10.036 8.182 1.00 0.00 C ATOM 423 NE ARG A 31 -12.028 -10.519 7.821 1.00 0.00 N ATOM 424 CZ ARG A 31 -13.095 -10.388 8.602 1.00 0.00 C ATOM 425 NH1 ARG A 31 -12.988 -9.791 9.781 1.00 0.00 N ATOM 426 NH2 ARG A 31 -14.272 -10.854 8.204 1.00 0.00 N ATOM 0 H ARG A 31 -6.254 -8.654 6.769 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.138 -11.304 6.344 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.892 -9.683 8.130 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.761 -8.791 6.897 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.005 -10.979 6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.290 -11.622 7.847 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.519 -10.225 9.240 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.653 -8.956 8.039 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.144 -10.982 6.920 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.085 -9.431 10.090 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -13.809 -9.692 10.379 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -14.359 -11.314 7.297 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -15.090 -10.753 8.805 1.00 0.00 H new ATOM 440 N LEU A 32 -8.227 -9.033 4.202 1.00 0.00 N ATOM 441 CA LEU A 32 -8.834 -8.859 2.887 1.00 0.00 C ATOM 442 C LEU A 32 -8.129 -9.719 1.844 1.00 0.00 C ATOM 443 O LEU A 32 -8.772 -10.457 1.096 1.00 0.00 O ATOM 444 CB LEU A 32 -8.782 -7.388 2.471 1.00 0.00 C ATOM 445 CG LEU A 32 -9.254 -6.377 3.517 1.00 0.00 C ATOM 446 CD1 LEU A 32 -9.064 -4.956 3.010 1.00 0.00 C ATOM 447 CD2 LEU A 32 -10.711 -6.625 3.879 1.00 0.00 C ATOM 0 H LEU A 32 -7.947 -8.163 4.656 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.875 -9.177 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.755 -7.145 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.389 -7.263 1.574 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.650 -6.504 4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.405 -4.251 3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.008 -4.782 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.642 -4.815 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.030 -5.896 4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.329 -6.526 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.819 -7.631 4.285 1.00 0.00 H new ATOM 459 N PHE A 33 -6.805 -9.622 1.801 1.00 0.00 N ATOM 460 CA PHE A 33 -6.012 -10.393 0.850 1.00 0.00 C ATOM 461 C PHE A 33 -6.417 -11.864 0.870 1.00 0.00 C ATOM 462 O PHE A 33 -6.886 -12.405 -0.132 1.00 0.00 O ATOM 463 CB PHE A 33 -4.522 -10.259 1.169 1.00 0.00 C ATOM 464 CG PHE A 33 -3.925 -8.959 0.710 1.00 0.00 C ATOM 465 CD1 PHE A 33 -4.732 -7.859 0.466 1.00 0.00 C ATOM 466 CD2 PHE A 33 -2.558 -8.836 0.525 1.00 0.00 C ATOM 467 CE1 PHE A 33 -4.186 -6.662 0.043 1.00 0.00 C ATOM 468 CE2 PHE A 33 -2.006 -7.641 0.102 1.00 0.00 C ATOM 469 CZ PHE A 33 -2.821 -6.552 -0.138 1.00 0.00 C ATOM 0 H PHE A 33 -6.258 -9.017 2.414 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.200 -9.996 -0.147 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.379 -10.355 2.245 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.983 -11.083 0.701 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.800 -7.938 0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.916 -9.683 0.713 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.826 -5.813 -0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.939 -7.559 -0.041 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.392 -5.617 -0.466 1.00 0.00 H new ATOM 479 N LYS A 34 -6.233 -12.506 2.019 1.00 0.00 N ATOM 480 CA LYS A 34 -6.579 -13.914 2.172 1.00 0.00 C ATOM 481 C LYS A 34 -8.064 -14.142 1.905 1.00 0.00 C ATOM 482 O LYS A 34 -8.511 -15.280 1.764 1.00 0.00 O ATOM 483 CB LYS A 34 -6.224 -14.397 3.580 1.00 0.00 C ATOM 484 CG LYS A 34 -4.747 -14.271 3.912 1.00 0.00 C ATOM 485 CD LYS A 34 -4.529 -14.010 5.393 1.00 0.00 C ATOM 486 CE LYS A 34 -3.051 -14.033 5.751 1.00 0.00 C ATOM 487 NZ LYS A 34 -2.594 -15.396 6.137 1.00 0.00 N ATOM 0 H LYS A 34 -5.846 -12.073 2.858 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.005 -14.485 1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.801 -13.826 4.307 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.523 -15.440 3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.229 -15.185 3.623 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.310 -13.459 3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.954 -13.042 5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.058 -14.762 5.978 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.466 -13.681 4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.866 -13.342 6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.564 -15.465 6.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.835 -15.574 7.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.063 -16.103 5.536 1.00 0.00 H new ATOM 501 N ALA A 35 -8.822 -13.053 1.835 1.00 0.00 N ATOM 502 CA ALA A 35 -10.255 -13.134 1.581 1.00 0.00 C ATOM 503 C ALA A 35 -10.538 -13.331 0.096 1.00 0.00 C ATOM 504 O ALA A 35 -11.345 -14.179 -0.286 1.00 0.00 O ATOM 505 CB ALA A 35 -10.953 -11.883 2.092 1.00 0.00 C ATOM 0 H ALA A 35 -8.467 -12.104 1.951 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.646 -13.999 2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.023 -11.957 1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.787 -11.786 3.165 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.550 -11.008 1.582 1.00 0.00 H new ATOM 511 N THR A 36 -9.870 -12.542 -0.740 1.00 0.00 N ATOM 512 CA THR A 36 -10.052 -12.628 -2.183 1.00 0.00 C ATOM 513 C THR A 36 -9.818 -14.049 -2.683 1.00 0.00 C ATOM 514 O THR A 36 -10.473 -14.503 -3.621 1.00 0.00 O ATOM 515 CB THR A 36 -9.101 -11.672 -2.928 1.00 0.00 C ATOM 516 OG1 THR A 36 -7.756 -12.157 -2.847 1.00 0.00 O ATOM 517 CG2 THR A 36 -9.176 -10.270 -2.342 1.00 0.00 C ATOM 0 H THR A 36 -9.197 -11.836 -0.442 1.00 0.00 H new ATOM 0 HA THR A 36 -11.082 -12.338 -2.389 1.00 0.00 H new ATOM 0 HB THR A 36 -9.409 -11.629 -3.973 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.490 -12.228 -1.906 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.496 -9.612 -2.884 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.195 -9.892 -2.431 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.891 -10.300 -1.290 1.00 0.00 H new ATOM 525 N SER A 37 -8.881 -14.748 -2.049 1.00 0.00 N ATOM 526 CA SER A 37 -8.559 -16.117 -2.432 1.00 0.00 C ATOM 527 C SER A 37 -9.562 -17.099 -1.833 1.00 0.00 C ATOM 528 O SER A 37 -9.972 -16.980 -0.679 1.00 0.00 O ATOM 529 CB SER A 37 -7.143 -16.477 -1.977 1.00 0.00 C ATOM 530 OG SER A 37 -6.192 -16.169 -2.981 1.00 0.00 O ATOM 0 H SER A 37 -8.332 -14.388 -1.268 1.00 0.00 H new ATOM 0 HA SER A 37 -8.613 -16.186 -3.518 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.902 -15.933 -1.064 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.093 -17.539 -1.738 1.00 0.00 H new ATOM 0 HG SER A 37 -5.369 -16.676 -2.819 1.00 0.00 H new ATOM 536 N PRO A 38 -9.968 -18.093 -2.638 1.00 0.00 N ATOM 537 CA PRO A 38 -10.928 -19.115 -2.210 1.00 0.00 C ATOM 538 C PRO A 38 -10.339 -20.064 -1.171 1.00 0.00 C ATOM 539 O PRO A 38 -11.060 -20.605 -0.332 1.00 0.00 O ATOM 540 CB PRO A 38 -11.243 -19.869 -3.504 1.00 0.00 C ATOM 541 CG PRO A 38 -10.044 -19.664 -4.364 1.00 0.00 C ATOM 542 CD PRO A 38 -9.521 -18.295 -4.026 1.00 0.00 C ATOM 0 HA PRO A 38 -11.804 -18.677 -1.731 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.417 -20.928 -3.313 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.143 -19.479 -3.980 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.291 -20.428 -4.172 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.305 -19.732 -5.420 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.435 -18.248 -4.110 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.926 -17.534 -4.693 1.00 0.00 H new ATOM 550 N ARG A 39 -9.026 -20.261 -1.232 1.00 0.00 N ATOM 551 CA ARG A 39 -8.342 -21.145 -0.297 1.00 0.00 C ATOM 552 C ARG A 39 -7.778 -20.358 0.882 1.00 0.00 C ATOM 553 O ARG A 39 -6.822 -20.785 1.527 1.00 0.00 O ATOM 554 CB ARG A 39 -7.215 -21.899 -1.006 1.00 0.00 C ATOM 555 CG ARG A 39 -7.709 -22.962 -1.974 1.00 0.00 C ATOM 556 CD ARG A 39 -6.680 -24.067 -2.159 1.00 0.00 C ATOM 557 NE ARG A 39 -7.305 -25.352 -2.460 1.00 0.00 N ATOM 558 CZ ARG A 39 -7.777 -26.175 -1.531 1.00 0.00 C ATOM 559 NH1 ARG A 39 -7.694 -25.849 -0.248 1.00 0.00 N ATOM 560 NH2 ARG A 39 -8.332 -27.328 -1.883 1.00 0.00 N ATOM 0 H ARG A 39 -8.415 -19.820 -1.919 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.069 -21.864 0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.596 -21.184 -1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.577 -22.369 -0.258 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.641 -23.389 -1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.930 -22.504 -2.938 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.999 -23.797 -2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.080 -24.159 -1.254 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.383 -25.633 -3.437 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.267 -24.964 0.027 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.057 -26.483 0.464 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.396 -27.583 -2.868 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.694 -27.959 -1.168 1.00 0.00 H new ATOM 574 N GLY A 40 -8.378 -19.203 1.158 1.00 0.00 N ATOM 575 CA GLY A 40 -7.922 -18.374 2.258 1.00 0.00 C ATOM 576 C GLY A 40 -6.426 -18.129 2.218 1.00 0.00 C ATOM 577 O GLY A 40 -5.779 -18.034 3.260 1.00 0.00 O ATOM 0 H GLY A 40 -9.172 -18.827 0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.445 -17.418 2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.184 -18.852 3.202 1.00 0.00 H new ATOM 581 N GLU A 41 -5.877 -18.029 1.012 1.00 0.00 N ATOM 582 CA GLU A 41 -4.447 -17.797 0.841 1.00 0.00 C ATOM 583 C GLU A 41 -4.177 -16.961 -0.406 1.00 0.00 C ATOM 584 O GLU A 41 -4.481 -17.361 -1.530 1.00 0.00 O ATOM 585 CB GLU A 41 -3.699 -19.128 0.749 1.00 0.00 C ATOM 586 CG GLU A 41 -4.076 -19.955 -0.468 1.00 0.00 C ATOM 587 CD GLU A 41 -3.524 -21.366 -0.409 1.00 0.00 C ATOM 588 OE1 GLU A 41 -4.164 -22.228 0.227 1.00 0.00 O ATOM 589 OE2 GLU A 41 -2.450 -21.607 -1.000 1.00 0.00 O ATOM 0 H GLU A 41 -6.400 -18.105 0.139 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.088 -17.247 1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.627 -18.932 0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.898 -19.710 1.649 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.162 -19.997 -0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.706 -19.461 -1.367 1.00 0.00 H new ATOM 596 N PRO A 42 -3.591 -15.771 -0.205 1.00 0.00 N ATOM 597 CA PRO A 42 -3.267 -14.853 -1.302 1.00 0.00 C ATOM 598 C PRO A 42 -2.132 -15.374 -2.177 1.00 0.00 C ATOM 599 O PRO A 42 -1.528 -16.403 -1.877 1.00 0.00 O ATOM 600 CB PRO A 42 -2.840 -13.573 -0.578 1.00 0.00 C ATOM 601 CG PRO A 42 -2.360 -14.034 0.755 1.00 0.00 C ATOM 602 CD PRO A 42 -3.201 -15.230 1.107 1.00 0.00 C ATOM 0 HA PRO A 42 -4.109 -14.715 -1.981 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.053 -13.053 -1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.673 -12.877 -0.480 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.303 -14.297 0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.468 -13.248 1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.639 -15.959 1.691 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -4.071 -14.949 1.700 1.00 0.00 H new ATOM 610 N GLN A 43 -1.848 -14.656 -3.259 1.00 0.00 N ATOM 611 CA GLN A 43 -0.785 -15.047 -4.177 1.00 0.00 C ATOM 612 C GLN A 43 0.439 -14.153 -4.006 1.00 0.00 C ATOM 613 O GLN A 43 0.315 -12.938 -3.847 1.00 0.00 O ATOM 614 CB GLN A 43 -1.281 -14.982 -5.622 1.00 0.00 C ATOM 615 CG GLN A 43 -1.972 -16.254 -6.087 1.00 0.00 C ATOM 616 CD GLN A 43 -2.840 -16.033 -7.310 1.00 0.00 C ATOM 617 OE1 GLN A 43 -2.515 -16.489 -8.407 1.00 0.00 O ATOM 618 NE2 GLN A 43 -3.952 -15.331 -7.128 1.00 0.00 N ATOM 0 H GLN A 43 -2.339 -13.801 -3.521 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.498 -16.073 -3.945 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.973 -14.145 -5.722 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.435 -14.777 -6.279 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.220 -17.010 -6.312 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.586 -16.646 -5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.183 -14.972 -6.202 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.576 -15.151 -7.915 1.00 0.00 H new ATOM 627 N ASP A 44 1.619 -14.761 -4.039 1.00 0.00 N ATOM 628 CA ASP A 44 2.866 -14.020 -3.888 1.00 0.00 C ATOM 629 C ASP A 44 2.889 -12.803 -4.807 1.00 0.00 C ATOM 630 O ASP A 44 2.676 -12.919 -6.014 1.00 0.00 O ATOM 631 CB ASP A 44 4.061 -14.925 -4.190 1.00 0.00 C ATOM 632 CG ASP A 44 5.368 -14.158 -4.246 1.00 0.00 C ATOM 633 OD1 ASP A 44 5.831 -13.694 -3.183 1.00 0.00 O ATOM 634 OD2 ASP A 44 5.929 -14.022 -5.354 1.00 0.00 O ATOM 0 H ASP A 44 1.739 -15.766 -4.169 1.00 0.00 H new ATOM 0 HA ASP A 44 2.933 -13.675 -2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.130 -15.699 -3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.899 -15.431 -5.142 1.00 0.00 H new ATOM 639 N GLY A 45 3.146 -11.634 -4.227 1.00 0.00 N ATOM 640 CA GLY A 45 3.191 -10.412 -5.008 1.00 0.00 C ATOM 641 C GLY A 45 1.969 -9.541 -4.793 1.00 0.00 C ATOM 642 O GLY A 45 1.901 -8.418 -5.293 1.00 0.00 O ATOM 0 H GLY A 45 3.324 -11.512 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.086 -9.849 -4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.273 -10.663 -6.066 1.00 0.00 H new ATOM 646 N LEU A 46 0.999 -10.060 -4.047 1.00 0.00 N ATOM 647 CA LEU A 46 -0.228 -9.322 -3.767 1.00 0.00 C ATOM 648 C LEU A 46 0.080 -7.991 -3.089 1.00 0.00 C ATOM 649 O LEU A 46 0.376 -7.944 -1.895 1.00 0.00 O ATOM 650 CB LEU A 46 -1.156 -10.156 -2.882 1.00 0.00 C ATOM 651 CG LEU A 46 -2.650 -9.856 -3.007 1.00 0.00 C ATOM 652 CD1 LEU A 46 -3.123 -10.083 -4.434 1.00 0.00 C ATOM 653 CD2 LEU A 46 -3.449 -10.713 -2.035 1.00 0.00 C ATOM 0 H LEU A 46 1.039 -10.988 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.726 -9.119 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.997 -11.209 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.862 -10.010 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.813 -8.808 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.189 -9.864 -4.503 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.573 -9.426 -5.108 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.947 -11.121 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.510 -10.486 -2.138 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.280 -11.767 -2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.130 -10.500 -1.015 1.00 0.00 H new ATOM 665 N TYR A 47 0.004 -6.910 -3.858 1.00 0.00 N ATOM 666 CA TYR A 47 0.275 -5.578 -3.332 1.00 0.00 C ATOM 667 C TYR A 47 -0.971 -4.700 -3.407 1.00 0.00 C ATOM 668 O TYR A 47 -1.903 -4.987 -4.159 1.00 0.00 O ATOM 669 CB TYR A 47 1.420 -4.924 -4.106 1.00 0.00 C ATOM 670 CG TYR A 47 1.061 -4.563 -5.530 1.00 0.00 C ATOM 671 CD1 TYR A 47 1.206 -5.485 -6.559 1.00 0.00 C ATOM 672 CD2 TYR A 47 0.575 -3.300 -5.845 1.00 0.00 C ATOM 673 CE1 TYR A 47 0.879 -5.159 -7.861 1.00 0.00 C ATOM 674 CE2 TYR A 47 0.245 -2.965 -7.144 1.00 0.00 C ATOM 675 CZ TYR A 47 0.399 -3.898 -8.149 1.00 0.00 C ATOM 676 OH TYR A 47 0.072 -3.570 -9.444 1.00 0.00 O ATOM 0 H TYR A 47 -0.243 -6.931 -4.847 1.00 0.00 H new ATOM 0 HA TYR A 47 0.564 -5.680 -2.286 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.734 -4.023 -3.580 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.274 -5.601 -4.116 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.581 -6.473 -6.337 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.453 -2.568 -5.061 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.998 -5.887 -8.649 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.131 -1.979 -7.372 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.251 -2.645 -9.476 1.00 0.00 H new ATOM 686 N CYS A 48 -0.978 -3.628 -2.622 1.00 0.00 N ATOM 687 CA CYS A 48 -2.109 -2.706 -2.598 1.00 0.00 C ATOM 688 C CYS A 48 -1.685 -1.340 -2.069 1.00 0.00 C ATOM 689 O CYS A 48 -0.506 -1.105 -1.802 1.00 0.00 O ATOM 690 CB CYS A 48 -3.237 -3.273 -1.735 1.00 0.00 C ATOM 691 SG CYS A 48 -3.147 -2.794 0.006 1.00 0.00 S ATOM 0 H CYS A 48 -0.214 -3.376 -1.994 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.469 -2.584 -3.620 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.193 -2.943 -2.143 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.220 -4.361 -1.803 1.00 0.00 H new ATOM 0 HG CYS A 48 -4.144 -3.321 0.653 1.00 0.00 H new ATOM 697 N ILE A 49 -2.653 -0.442 -1.921 1.00 0.00 N ATOM 698 CA ILE A 49 -2.380 0.901 -1.425 1.00 0.00 C ATOM 699 C ILE A 49 -3.431 1.336 -0.409 1.00 0.00 C ATOM 700 O ILE A 49 -4.559 1.669 -0.772 1.00 0.00 O ATOM 701 CB ILE A 49 -2.336 1.927 -2.572 1.00 0.00 C ATOM 702 CG1 ILE A 49 -1.204 1.589 -3.545 1.00 0.00 C ATOM 703 CG2 ILE A 49 -2.163 3.334 -2.019 1.00 0.00 C ATOM 704 CD1 ILE A 49 -1.286 2.343 -4.853 1.00 0.00 C ATOM 0 H ILE A 49 -3.634 -0.620 -2.138 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.403 0.866 -0.942 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.281 1.884 -3.114 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.249 1.808 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.220 0.519 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.134 4.048 -2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.000 3.572 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.232 3.392 -1.456 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.452 2.053 -5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.226 2.105 -5.352 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.239 3.415 -4.659 1.00 0.00 H new ATOM 716 N ARG A 50 -3.052 1.332 0.865 1.00 0.00 N ATOM 717 CA ARG A 50 -3.962 1.727 1.933 1.00 0.00 C ATOM 718 C ARG A 50 -3.595 3.105 2.478 1.00 0.00 C ATOM 719 O ARG A 50 -2.570 3.676 2.109 1.00 0.00 O ATOM 720 CB ARG A 50 -3.933 0.696 3.063 1.00 0.00 C ATOM 721 CG ARG A 50 -2.670 0.752 3.907 1.00 0.00 C ATOM 722 CD ARG A 50 -2.721 -0.246 5.053 1.00 0.00 C ATOM 723 NE ARG A 50 -1.457 -0.307 5.783 1.00 0.00 N ATOM 724 CZ ARG A 50 -1.034 0.649 6.602 1.00 0.00 C ATOM 725 NH1 ARG A 50 -1.770 1.735 6.795 1.00 0.00 N ATOM 726 NH2 ARG A 50 0.128 0.520 7.229 1.00 0.00 N ATOM 0 H ARG A 50 -2.122 1.060 1.182 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.969 1.775 1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.798 0.852 3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.030 -0.302 2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.803 0.544 3.280 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.541 1.759 4.305 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.522 0.030 5.738 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.962 -1.235 4.662 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.867 -1.129 5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.664 1.838 6.314 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.443 2.468 7.425 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.697 -0.314 7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.452 1.255 7.858 1.00 0.00 H new ATOM 740 N ASN A 51 -4.440 3.632 3.358 1.00 0.00 N ATOM 741 CA ASN A 51 -4.206 4.942 3.953 1.00 0.00 C ATOM 742 C ASN A 51 -3.403 4.818 5.244 1.00 0.00 C ATOM 743 O ASN A 51 -3.319 3.741 5.833 1.00 0.00 O ATOM 744 CB ASN A 51 -5.536 5.645 4.231 1.00 0.00 C ATOM 745 CG ASN A 51 -6.109 6.311 2.995 1.00 0.00 C ATOM 746 OD1 ASN A 51 -5.923 7.508 2.779 1.00 0.00 O ATOM 747 ND2 ASN A 51 -6.809 5.535 2.176 1.00 0.00 N ATOM 0 H ASN A 51 -5.293 3.171 3.675 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.630 5.537 3.244 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.254 4.920 4.615 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.392 6.394 5.010 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -7.218 5.927 1.328 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.938 4.547 2.395 1.00 0.00 H new ATOM 830 N LYS A 58 -0.814 7.791 1.708 1.00 0.00 N ATOM 831 CA LYS A 58 -1.007 6.369 1.448 1.00 0.00 C ATOM 832 C LYS A 58 0.290 5.596 1.661 1.00 0.00 C ATOM 833 O LYS A 58 1.383 6.151 1.540 1.00 0.00 O ATOM 834 CB LYS A 58 -1.512 6.155 0.019 1.00 0.00 C ATOM 835 CG LYS A 58 -2.884 6.754 -0.237 1.00 0.00 C ATOM 836 CD LYS A 58 -3.992 5.760 0.068 1.00 0.00 C ATOM 837 CE LYS A 58 -5.244 6.055 -0.743 1.00 0.00 C ATOM 838 NZ LYS A 58 -5.797 7.404 -0.439 1.00 0.00 N ATOM 0 HA LYS A 58 -1.752 5.995 2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.798 6.592 -0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.547 5.086 -0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.014 7.645 0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.955 7.072 -1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.646 4.750 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.230 5.793 1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.012 5.989 -1.806 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.999 5.297 -0.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.749 7.490 -0.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.852 7.533 0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.177 8.133 -0.846 1.00 0.00 H new ATOM 852 N VAL A 59 0.163 4.311 1.979 1.00 0.00 N ATOM 853 CA VAL A 59 1.325 3.461 2.206 1.00 0.00 C ATOM 854 C VAL A 59 1.182 2.128 1.481 1.00 0.00 C ATOM 855 O VAL A 59 0.446 1.245 1.922 1.00 0.00 O ATOM 856 CB VAL A 59 1.541 3.196 3.708 1.00 0.00 C ATOM 857 CG1 VAL A 59 2.651 2.176 3.916 1.00 0.00 C ATOM 858 CG2 VAL A 59 1.853 4.493 4.438 1.00 0.00 C ATOM 0 H VAL A 59 -0.734 3.836 2.085 1.00 0.00 H new ATOM 0 HA VAL A 59 2.189 3.994 1.810 1.00 0.00 H new ATOM 0 HB VAL A 59 0.621 2.785 4.123 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.789 2.001 4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.381 1.240 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.579 2.555 3.487 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.003 4.287 5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.759 4.935 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.022 5.188 4.317 1.00 0.00 H new ATOM 868 N LEU A 60 1.890 1.988 0.365 1.00 0.00 N ATOM 869 CA LEU A 60 1.842 0.762 -0.423 1.00 0.00 C ATOM 870 C LEU A 60 2.179 -0.452 0.438 1.00 0.00 C ATOM 871 O LEU A 60 3.195 -0.470 1.134 1.00 0.00 O ATOM 872 CB LEU A 60 2.814 0.851 -1.601 1.00 0.00 C ATOM 873 CG LEU A 60 3.208 -0.477 -2.247 1.00 0.00 C ATOM 874 CD1 LEU A 60 2.156 -0.915 -3.254 1.00 0.00 C ATOM 875 CD2 LEU A 60 4.571 -0.361 -2.914 1.00 0.00 C ATOM 0 H LEU A 60 2.504 2.709 -0.014 1.00 0.00 H new ATOM 0 HA LEU A 60 0.828 0.644 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.369 1.487 -2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.721 1.350 -1.261 1.00 0.00 H new ATOM 0 HG LEU A 60 3.270 -1.234 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.454 -1.862 -3.703 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.198 -1.039 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.060 -0.158 -4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.836 -1.315 -3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.535 0.410 -3.684 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.320 -0.094 -2.168 1.00 0.00 H new ATOM 887 N VAL A 61 1.321 -1.465 0.385 1.00 0.00 N ATOM 888 CA VAL A 61 1.529 -2.685 1.157 1.00 0.00 C ATOM 889 C VAL A 61 1.636 -3.901 0.244 1.00 0.00 C ATOM 890 O VAL A 61 0.734 -4.180 -0.546 1.00 0.00 O ATOM 891 CB VAL A 61 0.387 -2.912 2.165 1.00 0.00 C ATOM 892 CG1 VAL A 61 0.377 -4.356 2.644 1.00 0.00 C ATOM 893 CG2 VAL A 61 0.515 -1.953 3.339 1.00 0.00 C ATOM 0 H VAL A 61 0.475 -1.466 -0.184 1.00 0.00 H new ATOM 0 HA VAL A 61 2.465 -2.560 1.702 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.561 -2.714 1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.436 -4.498 3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.234 -5.021 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.326 -4.585 3.128 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.300 -2.127 4.042 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.468 -2.118 3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.468 -0.926 2.977 1.00 0.00 H new ATOM 903 N VAL A 62 2.746 -4.624 0.358 1.00 0.00 N ATOM 904 CA VAL A 62 2.971 -5.813 -0.455 1.00 0.00 C ATOM 905 C VAL A 62 2.901 -7.079 0.391 1.00 0.00 C ATOM 906 O VAL A 62 3.367 -7.103 1.530 1.00 0.00 O ATOM 907 CB VAL A 62 4.338 -5.757 -1.164 1.00 0.00 C ATOM 908 CG1 VAL A 62 4.398 -6.779 -2.289 1.00 0.00 C ATOM 909 CG2 VAL A 62 4.608 -4.356 -1.691 1.00 0.00 C ATOM 0 H VAL A 62 3.503 -4.407 1.006 1.00 0.00 H new ATOM 0 HA VAL A 62 2.181 -5.838 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 62 5.114 -6.003 -0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.371 -6.725 -2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.253 -7.779 -1.880 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.614 -6.567 -3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.578 -4.335 -2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.829 -4.078 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.611 -3.649 -0.861 1.00 0.00 H new ATOM 919 N TRP A 63 2.317 -8.129 -0.174 1.00 0.00 N ATOM 920 CA TRP A 63 2.187 -9.401 0.528 1.00 0.00 C ATOM 921 C TRP A 63 3.431 -10.260 0.335 1.00 0.00 C ATOM 922 O TRP A 63 3.780 -10.620 -0.790 1.00 0.00 O ATOM 923 CB TRP A 63 0.950 -10.154 0.036 1.00 0.00 C ATOM 924 CG TRP A 63 0.870 -11.562 0.545 1.00 0.00 C ATOM 925 CD1 TRP A 63 1.077 -12.706 -0.172 1.00 0.00 C ATOM 926 CD2 TRP A 63 0.560 -11.974 1.880 1.00 0.00 C ATOM 927 NE1 TRP A 63 0.914 -13.804 0.637 1.00 0.00 N ATOM 928 CE2 TRP A 63 0.597 -13.382 1.901 1.00 0.00 C ATOM 929 CE3 TRP A 63 0.256 -11.291 3.061 1.00 0.00 C ATOM 930 CZ2 TRP A 63 0.341 -14.116 3.056 1.00 0.00 C ATOM 931 CZ3 TRP A 63 0.001 -12.021 4.206 1.00 0.00 C ATOM 932 CH2 TRP A 63 0.046 -13.422 4.197 1.00 0.00 C ATOM 0 H TRP A 63 1.926 -8.125 -1.116 1.00 0.00 H new ATOM 0 HA TRP A 63 2.076 -9.191 1.592 1.00 0.00 H new ATOM 0 HB2 TRP A 63 0.056 -9.612 0.346 1.00 0.00 H new ATOM 0 HB3 TRP A 63 0.952 -10.169 -1.054 1.00 0.00 H new ATOM 0 HD1 TRP A 63 1.331 -12.742 -1.221 1.00 0.00 H new ATOM 0 HE1 TRP A 63 1.013 -14.776 0.344 1.00 0.00 H new ATOM 0 HE3 TRP A 63 0.221 -10.212 3.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 0.374 -15.195 3.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.237 -11.503 5.124 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -0.156 -13.964 5.109 1.00 0.00 H new ATOM 943 N ASP A 64 4.097 -10.586 1.437 1.00 0.00 N ATOM 944 CA ASP A 64 5.302 -11.405 1.389 1.00 0.00 C ATOM 945 C ASP A 64 4.967 -12.879 1.592 1.00 0.00 C ATOM 946 O ASP A 64 4.992 -13.382 2.714 1.00 0.00 O ATOM 947 CB ASP A 64 6.300 -10.945 2.453 1.00 0.00 C ATOM 948 CG ASP A 64 7.691 -11.502 2.221 1.00 0.00 C ATOM 949 OD1 ASP A 64 8.060 -11.707 1.045 1.00 0.00 O ATOM 950 OD2 ASP A 64 8.411 -11.731 3.215 1.00 0.00 O ATOM 0 H ASP A 64 3.822 -10.295 2.375 1.00 0.00 H new ATOM 0 HA ASP A 64 5.752 -11.286 0.404 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.344 -9.856 2.459 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.947 -11.255 3.437 1.00 0.00 H new ATOM 955 N GLU A 65 4.651 -13.565 0.497 1.00 0.00 N ATOM 956 CA GLU A 65 4.308 -14.981 0.557 1.00 0.00 C ATOM 957 C GLU A 65 5.450 -15.792 1.164 1.00 0.00 C ATOM 958 O GLU A 65 5.249 -16.910 1.640 1.00 0.00 O ATOM 959 CB GLU A 65 3.980 -15.509 -0.842 1.00 0.00 C ATOM 960 CG GLU A 65 3.446 -16.931 -0.846 1.00 0.00 C ATOM 961 CD GLU A 65 1.936 -16.987 -0.714 1.00 0.00 C ATOM 962 OE1 GLU A 65 1.254 -16.168 -1.365 1.00 0.00 O ATOM 963 OE2 GLU A 65 1.437 -17.849 0.039 1.00 0.00 O ATOM 0 H GLU A 65 4.626 -13.163 -0.440 1.00 0.00 H new ATOM 0 HA GLU A 65 3.430 -15.089 1.193 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.244 -14.852 -1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.879 -15.466 -1.457 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.745 -17.425 -1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.900 -17.488 -0.026 1.00 0.00 H new ATOM 970 N THR A 66 6.650 -15.222 1.141 1.00 0.00 N ATOM 971 CA THR A 66 7.825 -15.891 1.687 1.00 0.00 C ATOM 972 C THR A 66 7.780 -15.925 3.210 1.00 0.00 C ATOM 973 O THR A 66 8.226 -16.889 3.832 1.00 0.00 O ATOM 974 CB THR A 66 9.125 -15.198 1.238 1.00 0.00 C ATOM 975 OG1 THR A 66 9.184 -13.872 1.776 1.00 0.00 O ATOM 976 CG2 THR A 66 9.211 -15.139 -0.279 1.00 0.00 C ATOM 0 H THR A 66 6.834 -14.298 0.750 1.00 0.00 H new ATOM 0 HA THR A 66 7.815 -16.911 1.303 1.00 0.00 H new ATOM 0 HB THR A 66 9.968 -15.779 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.949 -13.225 1.078 1.00 0.00 H new ATOM 0 HG21 THR A 66 10.138 -14.645 -0.572 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.195 -16.151 -0.684 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.362 -14.578 -0.670 1.00 0.00 H new ATOM 984 N SER A 67 7.238 -14.868 3.806 1.00 0.00 N ATOM 985 CA SER A 67 7.138 -14.776 5.258 1.00 0.00 C ATOM 986 C SER A 67 5.679 -14.714 5.699 1.00 0.00 C ATOM 987 O SER A 67 5.383 -14.496 6.873 1.00 0.00 O ATOM 988 CB SER A 67 7.889 -13.543 5.765 1.00 0.00 C ATOM 989 OG SER A 67 9.271 -13.815 5.918 1.00 0.00 O ATOM 0 H SER A 67 6.861 -14.063 3.306 1.00 0.00 H new ATOM 0 HA SER A 67 7.591 -15.670 5.686 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.753 -12.718 5.066 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.470 -13.225 6.720 1.00 0.00 H new ATOM 0 HG SER A 67 9.729 -13.011 6.241 1.00 0.00 H new ATOM 995 N ASN A 68 4.771 -14.908 4.748 1.00 0.00 N ATOM 996 CA ASN A 68 3.342 -14.874 5.037 1.00 0.00 C ATOM 997 C ASN A 68 2.988 -13.656 5.884 1.00 0.00 C ATOM 998 O ASN A 68 2.376 -13.781 6.946 1.00 0.00 O ATOM 999 CB ASN A 68 2.916 -16.154 5.759 1.00 0.00 C ATOM 1000 CG ASN A 68 1.414 -16.238 5.948 1.00 0.00 C ATOM 1001 OD1 ASN A 68 0.690 -16.695 5.063 1.00 0.00 O ATOM 1002 ND2 ASN A 68 0.938 -15.795 7.106 1.00 0.00 N ATOM 0 H ASN A 68 4.999 -15.090 3.771 1.00 0.00 H new ATOM 0 HA ASN A 68 2.806 -14.804 4.090 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.257 -17.019 5.191 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.405 -16.199 6.732 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.065 -15.825 7.290 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.575 -15.424 7.811 1.00 0.00 H new ATOM 1009 N LYS A 69 3.375 -12.478 5.409 1.00 0.00 N ATOM 1010 CA LYS A 69 3.097 -11.236 6.120 1.00 0.00 C ATOM 1011 C LYS A 69 2.916 -10.078 5.144 1.00 0.00 C ATOM 1012 O LYS A 69 3.006 -10.257 3.929 1.00 0.00 O ATOM 1013 CB LYS A 69 4.231 -10.920 7.098 1.00 0.00 C ATOM 1014 CG LYS A 69 5.591 -10.795 6.433 1.00 0.00 C ATOM 1015 CD LYS A 69 6.637 -10.263 7.398 1.00 0.00 C ATOM 1016 CE LYS A 69 6.706 -11.103 8.664 1.00 0.00 C ATOM 1017 NZ LYS A 69 8.061 -11.067 9.280 1.00 0.00 N ATOM 0 H LYS A 69 3.883 -12.357 4.533 1.00 0.00 H new ATOM 0 HA LYS A 69 2.169 -11.366 6.677 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.003 -9.989 7.617 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.276 -11.704 7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.904 -11.769 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.517 -10.130 5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.612 -10.256 6.911 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.403 -9.231 7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.971 -10.739 9.382 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.440 -12.134 8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.067 -11.652 10.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.759 -11.438 8.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.304 -10.086 9.526 1.00 0.00 H new ATOM 1031 N VAL A 70 2.663 -8.889 5.683 1.00 0.00 N ATOM 1032 CA VAL A 70 2.472 -7.702 4.859 1.00 0.00 C ATOM 1033 C VAL A 70 3.476 -6.613 5.223 1.00 0.00 C ATOM 1034 O VAL A 70 3.769 -6.394 6.399 1.00 0.00 O ATOM 1035 CB VAL A 70 1.046 -7.139 5.007 1.00 0.00 C ATOM 1036 CG1 VAL A 70 0.014 -8.212 4.694 1.00 0.00 C ATOM 1037 CG2 VAL A 70 0.837 -6.578 6.405 1.00 0.00 C ATOM 0 H VAL A 70 2.586 -8.723 6.686 1.00 0.00 H new ATOM 0 HA VAL A 70 2.629 -8.007 3.824 1.00 0.00 H new ATOM 0 HB VAL A 70 0.919 -6.326 4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.988 -7.796 4.804 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.152 -8.562 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.138 -9.048 5.383 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.176 -6.185 6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.983 -7.369 7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 70 1.554 -5.777 6.587 1.00 0.00 H new ATOM 1047 N ARG A 71 3.998 -5.934 4.208 1.00 0.00 N ATOM 1048 CA ARG A 71 4.970 -4.869 4.421 1.00 0.00 C ATOM 1049 C ARG A 71 4.299 -3.500 4.355 1.00 0.00 C ATOM 1050 O ARG A 71 3.116 -3.392 4.038 1.00 0.00 O ATOM 1051 CB ARG A 71 6.087 -4.951 3.378 1.00 0.00 C ATOM 1052 CG ARG A 71 6.762 -6.312 3.315 1.00 0.00 C ATOM 1053 CD ARG A 71 7.438 -6.659 4.633 1.00 0.00 C ATOM 1054 NE ARG A 71 8.367 -5.617 5.063 1.00 0.00 N ATOM 1055 CZ ARG A 71 8.847 -5.525 6.298 1.00 0.00 C ATOM 1056 NH1 ARG A 71 8.489 -6.408 7.220 1.00 0.00 N ATOM 1057 NH2 ARG A 71 9.688 -4.549 6.612 1.00 0.00 N ATOM 0 H ARG A 71 3.764 -6.102 3.230 1.00 0.00 H new ATOM 0 HA ARG A 71 5.400 -4.998 5.414 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.675 -4.713 2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.837 -4.193 3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.023 -7.075 3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.501 -6.317 2.513 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.679 -6.808 5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.974 -7.602 4.528 1.00 0.00 H new ATOM 0 HE ARG A 71 8.663 -4.922 4.377 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.843 -7.161 6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.859 -6.335 8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.966 -3.869 5.905 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.056 -4.479 7.561 1.00 0.00 H new ATOM 1071 N ASN A 72 5.064 -2.456 4.659 1.00 0.00 N ATOM 1072 CA ASN A 72 4.544 -1.094 4.635 1.00 0.00 C ATOM 1073 C ASN A 72 5.461 -0.174 3.836 1.00 0.00 C ATOM 1074 O ASN A 72 6.636 -0.013 4.166 1.00 0.00 O ATOM 1075 CB ASN A 72 4.386 -0.562 6.061 1.00 0.00 C ATOM 1076 CG ASN A 72 3.909 -1.629 7.028 1.00 0.00 C ATOM 1077 OD1 ASN A 72 4.567 -1.914 8.028 1.00 0.00 O ATOM 1078 ND2 ASN A 72 2.760 -2.224 6.731 1.00 0.00 N ATOM 0 H ASN A 72 6.046 -2.528 4.925 1.00 0.00 H new ATOM 0 HA ASN A 72 3.568 -1.113 4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.341 -0.165 6.405 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.678 0.266 6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.389 -2.950 7.343 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.249 -1.955 5.891 1.00 0.00 H new ATOM 1085 N TYR A 73 4.916 0.426 2.783 1.00 0.00 N ATOM 1086 CA TYR A 73 5.686 1.328 1.935 1.00 0.00 C ATOM 1087 C TYR A 73 4.993 2.682 1.809 1.00 0.00 C ATOM 1088 O TYR A 73 4.134 2.874 0.948 1.00 0.00 O ATOM 1089 CB TYR A 73 5.884 0.713 0.548 1.00 0.00 C ATOM 1090 CG TYR A 73 6.743 -0.531 0.555 1.00 0.00 C ATOM 1091 CD1 TYR A 73 8.125 -0.445 0.434 1.00 0.00 C ATOM 1092 CD2 TYR A 73 6.173 -1.792 0.682 1.00 0.00 C ATOM 1093 CE1 TYR A 73 8.913 -1.579 0.439 1.00 0.00 C ATOM 1094 CE2 TYR A 73 6.955 -2.931 0.689 1.00 0.00 C ATOM 1095 CZ TYR A 73 8.324 -2.820 0.566 1.00 0.00 C ATOM 1096 OH TYR A 73 9.106 -3.952 0.573 1.00 0.00 O ATOM 0 H TYR A 73 3.945 0.304 2.497 1.00 0.00 H new ATOM 0 HA TYR A 73 6.660 1.480 2.400 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.909 0.469 0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.339 1.455 -0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.590 0.525 0.334 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.101 -1.883 0.777 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.986 -1.495 0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.496 -3.904 0.790 1.00 0.00 H new ATOM 0 HH TYR A 73 10.048 -3.699 0.671 1.00 0.00 H new ATOM 1106 N ARG A 74 5.373 3.616 2.675 1.00 0.00 N ATOM 1107 CA ARG A 74 4.789 4.952 2.662 1.00 0.00 C ATOM 1108 C ARG A 74 5.067 5.655 1.337 1.00 0.00 C ATOM 1109 O ARG A 74 6.182 5.600 0.816 1.00 0.00 O ATOM 1110 CB ARG A 74 5.343 5.785 3.820 1.00 0.00 C ATOM 1111 CG ARG A 74 6.753 6.298 3.580 1.00 0.00 C ATOM 1112 CD ARG A 74 7.768 5.165 3.598 1.00 0.00 C ATOM 1113 NE ARG A 74 9.074 5.609 4.078 1.00 0.00 N ATOM 1114 CZ ARG A 74 10.130 4.809 4.181 1.00 0.00 C ATOM 1115 NH1 ARG A 74 10.034 3.531 3.839 1.00 0.00 N ATOM 1116 NH2 ARG A 74 11.285 5.286 4.626 1.00 0.00 N ATOM 0 H ARG A 74 6.082 3.472 3.394 1.00 0.00 H new ATOM 0 HA ARG A 74 3.710 4.850 2.780 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.682 6.633 3.995 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.334 5.181 4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.796 6.812 2.620 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.010 7.031 4.345 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.402 4.360 4.235 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.871 4.754 2.594 1.00 0.00 H new ATOM 0 HE ARG A 74 9.181 6.586 4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.148 3.160 3.496 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.846 2.919 3.919 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.363 6.268 4.890 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.095 4.671 4.704 1.00 0.00 H new ATOM 1130 N ILE A 75 4.048 6.313 0.797 1.00 0.00 N ATOM 1131 CA ILE A 75 4.183 7.027 -0.467 1.00 0.00 C ATOM 1132 C ILE A 75 4.277 8.532 -0.241 1.00 0.00 C ATOM 1133 O ILE A 75 3.303 9.174 0.152 1.00 0.00 O ATOM 1134 CB ILE A 75 3.001 6.734 -1.409 1.00 0.00 C ATOM 1135 CG1 ILE A 75 2.852 5.226 -1.623 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.194 7.446 -2.739 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.432 4.793 -1.910 1.00 0.00 C ATOM 0 H ILE A 75 3.119 6.367 1.215 1.00 0.00 H new ATOM 0 HA ILE A 75 5.103 6.673 -0.932 1.00 0.00 H new ATOM 0 HB ILE A 75 2.087 7.109 -0.948 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.491 4.920 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.210 4.704 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.350 7.229 -3.394 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.255 8.521 -2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.115 7.099 -3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.402 3.713 -2.051 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.791 5.067 -1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.077 5.287 -2.815 1.00 0.00 H new ATOM 1149 N PHE A 76 5.457 9.090 -0.494 1.00 0.00 N ATOM 1150 CA PHE A 76 5.679 10.521 -0.319 1.00 0.00 C ATOM 1151 C PHE A 76 5.325 11.285 -1.592 1.00 0.00 C ATOM 1152 O PHE A 76 5.048 10.687 -2.631 1.00 0.00 O ATOM 1153 CB PHE A 76 7.136 10.789 0.062 1.00 0.00 C ATOM 1154 CG PHE A 76 7.558 10.108 1.332 1.00 0.00 C ATOM 1155 CD1 PHE A 76 7.293 10.684 2.564 1.00 0.00 C ATOM 1156 CD2 PHE A 76 8.221 8.891 1.294 1.00 0.00 C ATOM 1157 CE1 PHE A 76 7.681 10.059 3.735 1.00 0.00 C ATOM 1158 CE2 PHE A 76 8.610 8.262 2.461 1.00 0.00 C ATOM 1159 CZ PHE A 76 8.340 8.847 3.683 1.00 0.00 C ATOM 0 H PHE A 76 6.274 8.573 -0.821 1.00 0.00 H new ATOM 0 HA PHE A 76 5.031 10.869 0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.783 10.458 -0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.284 11.864 0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.778 11.632 2.610 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.436 8.429 0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 76 7.469 10.518 4.689 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.125 7.314 2.418 1.00 0.00 H new ATOM 0 HZ PHE A 76 8.644 8.357 4.596 1.00 0.00 H new ATOM 1169 N GLU A 77 5.336 12.612 -1.500 1.00 0.00 N ATOM 1170 CA GLU A 77 5.016 13.458 -2.644 1.00 0.00 C ATOM 1171 C GLU A 77 6.058 14.559 -2.815 1.00 0.00 C ATOM 1172 O GLU A 77 6.009 15.588 -2.141 1.00 0.00 O ATOM 1173 CB GLU A 77 3.627 14.078 -2.474 1.00 0.00 C ATOM 1174 CG GLU A 77 3.086 14.716 -3.742 1.00 0.00 C ATOM 1175 CD GLU A 77 2.015 15.752 -3.463 1.00 0.00 C ATOM 1176 OE1 GLU A 77 2.306 16.727 -2.739 1.00 0.00 O ATOM 1177 OE2 GLU A 77 0.885 15.588 -3.968 1.00 0.00 O ATOM 0 H GLU A 77 5.563 13.123 -0.647 1.00 0.00 H new ATOM 0 HA GLU A 77 5.022 12.834 -3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.933 13.307 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.668 14.831 -1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.906 15.184 -4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.676 13.940 -4.388 1.00 0.00 H new ATOM 1184 N LYS A 78 7.003 14.335 -3.722 1.00 0.00 N ATOM 1185 CA LYS A 78 8.058 15.306 -3.985 1.00 0.00 C ATOM 1186 C LYS A 78 8.111 15.665 -5.466 1.00 0.00 C ATOM 1187 O LYS A 78 8.059 14.789 -6.329 1.00 0.00 O ATOM 1188 CB LYS A 78 9.412 14.753 -3.535 1.00 0.00 C ATOM 1189 CG LYS A 78 10.592 15.349 -4.283 1.00 0.00 C ATOM 1190 CD LYS A 78 11.915 14.841 -3.734 1.00 0.00 C ATOM 1191 CE LYS A 78 12.298 15.559 -2.449 1.00 0.00 C ATOM 1192 NZ LYS A 78 12.989 16.850 -2.720 1.00 0.00 N ATOM 0 H LYS A 78 7.060 13.488 -4.288 1.00 0.00 H new ATOM 0 HA LYS A 78 7.834 16.210 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.536 14.942 -2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.416 13.671 -3.670 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.516 15.100 -5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.560 16.436 -4.209 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.845 13.770 -3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.698 14.983 -4.479 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.403 15.744 -1.856 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.948 14.917 -1.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.234 17.309 -1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.857 16.672 -3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.360 17.473 -3.266 1.00 0.00 H new ATOM 1206 N ASP A 79 8.215 16.958 -5.753 1.00 0.00 N ATOM 1207 CA ASP A 79 8.277 17.433 -7.131 1.00 0.00 C ATOM 1208 C ASP A 79 7.114 16.880 -7.949 1.00 0.00 C ATOM 1209 O ASP A 79 7.208 16.750 -9.170 1.00 0.00 O ATOM 1210 CB ASP A 79 9.606 17.029 -7.772 1.00 0.00 C ATOM 1211 CG ASP A 79 9.931 17.856 -9.001 1.00 0.00 C ATOM 1212 OD1 ASP A 79 10.335 19.026 -8.837 1.00 0.00 O ATOM 1213 OD2 ASP A 79 9.780 17.333 -10.125 1.00 0.00 O ATOM 0 H ASP A 79 8.258 17.696 -5.050 1.00 0.00 H new ATOM 0 HA ASP A 79 8.204 18.520 -7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.407 17.139 -7.041 1.00 0.00 H new ATOM 0 HB3 ASP A 79 9.568 15.975 -8.047 1.00 0.00 H new ATOM 1218 N SER A 80 6.020 16.556 -7.268 1.00 0.00 N ATOM 1219 CA SER A 80 4.840 16.013 -7.931 1.00 0.00 C ATOM 1220 C SER A 80 5.095 14.588 -8.412 1.00 0.00 C ATOM 1221 O SER A 80 4.554 14.157 -9.431 1.00 0.00 O ATOM 1222 CB SER A 80 4.440 16.898 -9.113 1.00 0.00 C ATOM 1223 OG SER A 80 3.065 16.748 -9.421 1.00 0.00 O ATOM 0 H SER A 80 5.926 16.660 -6.258 1.00 0.00 H new ATOM 0 HA SER A 80 4.024 15.994 -7.208 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.651 17.941 -8.878 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.041 16.639 -9.985 1.00 0.00 H new ATOM 0 HG SER A 80 2.870 15.804 -9.598 1.00 0.00 H new ATOM 1229 N LYS A 81 5.924 13.860 -7.672 1.00 0.00 N ATOM 1230 CA LYS A 81 6.252 12.482 -8.020 1.00 0.00 C ATOM 1231 C LYS A 81 6.353 11.615 -6.769 1.00 0.00 C ATOM 1232 O LYS A 81 7.082 11.942 -5.832 1.00 0.00 O ATOM 1233 CB LYS A 81 7.569 12.430 -8.798 1.00 0.00 C ATOM 1234 CG LYS A 81 7.598 13.350 -10.006 1.00 0.00 C ATOM 1235 CD LYS A 81 8.487 12.796 -11.107 1.00 0.00 C ATOM 1236 CE LYS A 81 8.806 13.855 -12.151 1.00 0.00 C ATOM 1237 NZ LYS A 81 7.616 14.691 -12.474 1.00 0.00 N ATOM 0 H LYS A 81 6.382 14.201 -6.827 1.00 0.00 H new ATOM 0 HA LYS A 81 5.451 12.091 -8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.387 12.696 -8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.747 11.406 -9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.586 13.484 -10.387 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.958 14.334 -9.707 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.414 12.420 -10.673 1.00 0.00 H new ATOM 0 HD3 LYS A 81 7.992 11.950 -11.584 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.611 14.494 -11.787 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.168 13.373 -13.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.533 14.792 -13.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.759 14.235 -12.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 7.724 15.631 -12.042 1.00 0.00 H new ATOM 1251 N PHE A 82 5.620 10.507 -6.762 1.00 0.00 N ATOM 1252 CA PHE A 82 5.628 9.592 -5.626 1.00 0.00 C ATOM 1253 C PHE A 82 6.962 8.856 -5.530 1.00 0.00 C ATOM 1254 O PHE A 82 7.543 8.467 -6.544 1.00 0.00 O ATOM 1255 CB PHE A 82 4.484 8.583 -5.748 1.00 0.00 C ATOM 1256 CG PHE A 82 3.168 9.210 -6.111 1.00 0.00 C ATOM 1257 CD1 PHE A 82 2.470 9.971 -5.187 1.00 0.00 C ATOM 1258 CD2 PHE A 82 2.630 9.039 -7.376 1.00 0.00 C ATOM 1259 CE1 PHE A 82 1.259 10.548 -5.519 1.00 0.00 C ATOM 1260 CE2 PHE A 82 1.419 9.615 -7.714 1.00 0.00 C ATOM 1261 CZ PHE A 82 0.733 10.371 -6.784 1.00 0.00 C ATOM 0 H PHE A 82 5.013 10.221 -7.530 1.00 0.00 H new ATOM 0 HA PHE A 82 5.490 10.179 -4.718 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.744 7.840 -6.502 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.376 8.052 -4.802 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.877 10.115 -4.197 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.163 8.449 -8.107 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.724 11.137 -4.789 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.010 9.474 -8.704 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.213 10.823 -7.045 1.00 0.00 H new ATOM 1271 N TYR A 83 7.441 8.670 -4.306 1.00 0.00 N ATOM 1272 CA TYR A 83 8.707 7.984 -4.076 1.00 0.00 C ATOM 1273 C TYR A 83 8.707 7.278 -2.724 1.00 0.00 C ATOM 1274 O TYR A 83 7.909 7.599 -1.842 1.00 0.00 O ATOM 1275 CB TYR A 83 9.869 8.977 -4.145 1.00 0.00 C ATOM 1276 CG TYR A 83 9.975 9.870 -2.929 1.00 0.00 C ATOM 1277 CD1 TYR A 83 10.627 9.438 -1.781 1.00 0.00 C ATOM 1278 CD2 TYR A 83 9.423 11.145 -2.929 1.00 0.00 C ATOM 1279 CE1 TYR A 83 10.726 10.250 -0.667 1.00 0.00 C ATOM 1280 CE2 TYR A 83 9.519 11.964 -1.821 1.00 0.00 C ATOM 1281 CZ TYR A 83 10.171 11.512 -0.692 1.00 0.00 C ATOM 1282 OH TYR A 83 10.267 12.325 0.414 1.00 0.00 O ATOM 0 H TYR A 83 6.972 8.985 -3.457 1.00 0.00 H new ATOM 0 HA TYR A 83 8.831 7.234 -4.857 1.00 0.00 H new ATOM 0 HB2 TYR A 83 10.801 8.425 -4.262 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.753 9.598 -5.033 1.00 0.00 H new ATOM 0 HD1 TYR A 83 11.064 8.451 -1.759 1.00 0.00 H new ATOM 0 HD2 TYR A 83 8.910 11.502 -3.810 1.00 0.00 H new ATOM 0 HE1 TYR A 83 11.235 9.898 0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 83 9.086 12.953 -1.838 1.00 0.00 H new ATOM 0 HH TYR A 83 9.825 13.180 0.231 1.00 0.00 H new ATOM 1292 N LEU A 84 9.607 6.314 -2.567 1.00 0.00 N ATOM 1293 CA LEU A 84 9.713 5.561 -1.323 1.00 0.00 C ATOM 1294 C LEU A 84 11.106 5.703 -0.717 1.00 0.00 C ATOM 1295 O LEU A 84 11.295 5.503 0.482 1.00 0.00 O ATOM 1296 CB LEU A 84 9.400 4.084 -1.569 1.00 0.00 C ATOM 1297 CG LEU A 84 8.216 3.794 -2.492 1.00 0.00 C ATOM 1298 CD1 LEU A 84 8.048 2.296 -2.691 1.00 0.00 C ATOM 1299 CD2 LEU A 84 6.940 4.405 -1.931 1.00 0.00 C ATOM 0 H LEU A 84 10.274 6.035 -3.286 1.00 0.00 H new ATOM 0 HA LEU A 84 8.987 5.967 -0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.287 3.610 -1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.210 3.608 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 84 8.417 4.248 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.201 2.109 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 84 8.953 1.885 -3.138 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.870 1.819 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.108 4.189 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.735 3.980 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.062 5.484 -1.841 1.00 0.00 H new ATOM 1311 N GLU A 85 12.078 6.050 -1.556 1.00 0.00 N ATOM 1312 CA GLU A 85 13.453 6.220 -1.102 1.00 0.00 C ATOM 1313 C GLU A 85 13.838 7.696 -1.073 1.00 0.00 C ATOM 1314 O GLU A 85 14.492 8.161 -0.140 1.00 0.00 O ATOM 1315 CB GLU A 85 14.412 5.449 -2.011 1.00 0.00 C ATOM 1316 CG GLU A 85 14.038 5.510 -3.482 1.00 0.00 C ATOM 1317 CD GLU A 85 12.973 4.497 -3.855 1.00 0.00 C ATOM 1318 OE1 GLU A 85 12.429 3.842 -2.942 1.00 0.00 O ATOM 1319 OE2 GLU A 85 12.683 4.360 -5.062 1.00 0.00 O ATOM 0 H GLU A 85 11.938 6.219 -2.552 1.00 0.00 H new ATOM 0 HA GLU A 85 13.526 5.824 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.419 5.847 -1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.440 4.406 -1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 85 13.681 6.512 -3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 85 14.928 5.336 -4.087 1.00 0.00 H new ATOM 1326 N GLY A 86 13.428 8.429 -2.104 1.00 0.00 N ATOM 1327 CA GLY A 86 13.740 9.844 -2.179 1.00 0.00 C ATOM 1328 C GLY A 86 14.163 10.272 -3.570 1.00 0.00 C ATOM 1329 O GLY A 86 13.327 10.649 -4.391 1.00 0.00 O ATOM 0 H GLY A 86 12.885 8.068 -2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.867 10.422 -1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.538 10.075 -1.473 1.00 0.00 H new ATOM 1333 N GLU A 87 15.465 10.216 -3.835 1.00 0.00 N ATOM 1334 CA GLU A 87 15.996 10.604 -5.136 1.00 0.00 C ATOM 1335 C GLU A 87 15.213 9.939 -6.264 1.00 0.00 C ATOM 1336 O GLU A 87 14.930 10.560 -7.289 1.00 0.00 O ATOM 1337 CB GLU A 87 17.476 10.230 -5.239 1.00 0.00 C ATOM 1338 CG GLU A 87 17.733 8.734 -5.163 1.00 0.00 C ATOM 1339 CD GLU A 87 19.211 8.397 -5.123 1.00 0.00 C ATOM 1340 OE1 GLU A 87 19.867 8.729 -4.113 1.00 0.00 O ATOM 1341 OE2 GLU A 87 19.712 7.804 -6.100 1.00 0.00 O ATOM 0 H GLU A 87 16.170 9.906 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 87 15.893 11.685 -5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 87 17.874 10.611 -6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 87 18.024 10.725 -4.437 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.248 8.331 -4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.276 8.246 -6.024 1.00 0.00 H new ATOM 1348 N VAL A 88 14.865 8.671 -6.068 1.00 0.00 N ATOM 1349 CA VAL A 88 14.114 7.921 -7.067 1.00 0.00 C ATOM 1350 C VAL A 88 12.612 8.080 -6.860 1.00 0.00 C ATOM 1351 O VAL A 88 12.050 7.568 -5.891 1.00 0.00 O ATOM 1352 CB VAL A 88 14.470 6.423 -7.029 1.00 0.00 C ATOM 1353 CG1 VAL A 88 13.810 5.687 -8.185 1.00 0.00 C ATOM 1354 CG2 VAL A 88 15.979 6.233 -7.057 1.00 0.00 C ATOM 0 H VAL A 88 15.091 8.142 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 88 14.389 8.328 -8.040 1.00 0.00 H new ATOM 0 HB VAL A 88 14.091 6.001 -6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 88 14.073 4.630 -8.141 1.00 0.00 H new ATOM 0 HG12 VAL A 88 12.728 5.795 -8.114 1.00 0.00 H new ATOM 0 HG13 VAL A 88 14.156 6.108 -9.129 1.00 0.00 H new ATOM 0 HG21 VAL A 88 16.212 5.169 -7.030 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.384 6.670 -7.970 1.00 0.00 H new ATOM 0 HG23 VAL A 88 16.424 6.724 -6.192 1.00 0.00 H new ATOM 1364 N LEU A 89 11.966 8.794 -7.775 1.00 0.00 N ATOM 1365 CA LEU A 89 10.528 9.021 -7.694 1.00 0.00 C ATOM 1366 C LEU A 89 9.830 8.558 -8.969 1.00 0.00 C ATOM 1367 O LEU A 89 10.462 8.003 -9.868 1.00 0.00 O ATOM 1368 CB LEU A 89 10.239 10.504 -7.451 1.00 0.00 C ATOM 1369 CG LEU A 89 11.284 11.266 -6.636 1.00 0.00 C ATOM 1370 CD1 LEU A 89 12.340 11.867 -7.551 1.00 0.00 C ATOM 1371 CD2 LEU A 89 10.620 12.352 -5.801 1.00 0.00 C ATOM 0 H LEU A 89 12.416 9.226 -8.582 1.00 0.00 H new ATOM 0 HA LEU A 89 10.140 8.439 -6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.132 10.996 -8.418 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.279 10.588 -6.942 1.00 0.00 H new ATOM 0 HG LEU A 89 11.774 10.564 -5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 89 13.075 12.406 -6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.836 11.071 -8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.866 12.556 -8.250 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.378 12.885 -5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 89 10.104 13.052 -6.458 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.901 11.898 -5.119 1.00 0.00 H new ATOM 1383 N PHE A 90 8.524 8.791 -9.041 1.00 0.00 N ATOM 1384 CA PHE A 90 7.740 8.399 -10.207 1.00 0.00 C ATOM 1385 C PHE A 90 6.591 9.374 -10.443 1.00 0.00 C ATOM 1386 O PHE A 90 5.695 9.509 -9.609 1.00 0.00 O ATOM 1387 CB PHE A 90 7.193 6.982 -10.026 1.00 0.00 C ATOM 1388 CG PHE A 90 8.264 5.936 -9.901 1.00 0.00 C ATOM 1389 CD1 PHE A 90 8.787 5.605 -8.661 1.00 0.00 C ATOM 1390 CD2 PHE A 90 8.749 5.285 -11.024 1.00 0.00 C ATOM 1391 CE1 PHE A 90 9.773 4.644 -8.544 1.00 0.00 C ATOM 1392 CE2 PHE A 90 9.736 4.323 -10.913 1.00 0.00 C ATOM 1393 CZ PHE A 90 10.247 4.002 -9.671 1.00 0.00 C ATOM 0 H PHE A 90 7.986 9.249 -8.306 1.00 0.00 H new ATOM 0 HA PHE A 90 8.395 8.420 -11.078 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.565 6.955 -9.136 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.554 6.737 -10.875 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.420 6.104 -7.776 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.351 5.532 -11.997 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.173 4.395 -7.572 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.107 3.824 -11.796 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.017 3.250 -9.581 1.00 0.00 H new ATOM 1403 N VAL A 91 6.623 10.053 -11.585 1.00 0.00 N ATOM 1404 CA VAL A 91 5.585 11.015 -11.932 1.00 0.00 C ATOM 1405 C VAL A 91 4.212 10.530 -11.480 1.00 0.00 C ATOM 1406 O VAL A 91 3.317 11.331 -11.210 1.00 0.00 O ATOM 1407 CB VAL A 91 5.549 11.280 -13.449 1.00 0.00 C ATOM 1408 CG1 VAL A 91 4.708 10.227 -14.155 1.00 0.00 C ATOM 1409 CG2 VAL A 91 5.018 12.677 -13.734 1.00 0.00 C ATOM 0 H VAL A 91 7.357 9.954 -12.286 1.00 0.00 H new ATOM 0 HA VAL A 91 5.828 11.943 -11.414 1.00 0.00 H new ATOM 0 HB VAL A 91 6.566 11.217 -13.835 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.694 10.430 -15.226 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.137 9.241 -13.979 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.690 10.255 -13.767 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.000 12.847 -14.811 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.008 12.771 -13.335 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.665 13.416 -13.261 1.00 0.00 H new ATOM 1419 N SER A 92 4.053 9.213 -11.398 1.00 0.00 N ATOM 1420 CA SER A 92 2.788 8.620 -10.981 1.00 0.00 C ATOM 1421 C SER A 92 3.001 7.208 -10.443 1.00 0.00 C ATOM 1422 O SER A 92 3.893 6.488 -10.892 1.00 0.00 O ATOM 1423 CB SER A 92 1.805 8.588 -12.153 1.00 0.00 C ATOM 1424 OG SER A 92 2.407 8.032 -13.309 1.00 0.00 O ATOM 0 H SER A 92 4.785 8.536 -11.615 1.00 0.00 H new ATOM 0 HA SER A 92 2.372 9.235 -10.183 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.927 8.003 -11.879 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.460 9.599 -12.370 1.00 0.00 H new ATOM 0 HG SER A 92 1.758 8.021 -14.043 1.00 0.00 H new ATOM 1430 N VAL A 93 2.176 6.820 -9.476 1.00 0.00 N ATOM 1431 CA VAL A 93 2.272 5.494 -8.876 1.00 0.00 C ATOM 1432 C VAL A 93 2.474 4.422 -9.940 1.00 0.00 C ATOM 1433 O VAL A 93 3.261 3.494 -9.759 1.00 0.00 O ATOM 1434 CB VAL A 93 1.012 5.157 -8.056 1.00 0.00 C ATOM 1435 CG1 VAL A 93 1.136 3.776 -7.430 1.00 0.00 C ATOM 1436 CG2 VAL A 93 0.772 6.215 -6.989 1.00 0.00 C ATOM 0 H VAL A 93 1.434 7.404 -9.091 1.00 0.00 H new ATOM 0 HA VAL A 93 3.136 5.509 -8.212 1.00 0.00 H new ATOM 0 HB VAL A 93 0.154 5.150 -8.728 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.237 3.555 -6.855 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.256 3.030 -8.215 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.004 3.752 -6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.122 5.961 -6.419 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.630 6.256 -6.318 1.00 0.00 H new ATOM 0 HG23 VAL A 93 0.636 7.186 -7.464 1.00 0.00 H new ATOM 1446 N GLY A 94 1.758 4.557 -11.053 1.00 0.00 N ATOM 1447 CA GLY A 94 1.874 3.593 -12.131 1.00 0.00 C ATOM 1448 C GLY A 94 3.316 3.307 -12.501 1.00 0.00 C ATOM 1449 O GLY A 94 3.807 2.196 -12.299 1.00 0.00 O ATOM 0 H GLY A 94 1.100 5.317 -11.227 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.386 2.664 -11.837 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.345 3.967 -13.007 1.00 0.00 H new ATOM 1453 N SER A 95 3.996 4.311 -13.045 1.00 0.00 N ATOM 1454 CA SER A 95 5.389 4.160 -13.449 1.00 0.00 C ATOM 1455 C SER A 95 6.185 3.410 -12.385 1.00 0.00 C ATOM 1456 O SER A 95 6.992 2.535 -12.699 1.00 0.00 O ATOM 1457 CB SER A 95 6.020 5.530 -13.703 1.00 0.00 C ATOM 1458 OG SER A 95 7.028 5.452 -14.695 1.00 0.00 O ATOM 0 H SER A 95 3.605 5.237 -13.216 1.00 0.00 H new ATOM 0 HA SER A 95 5.413 3.580 -14.372 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.251 6.235 -14.017 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.446 5.915 -12.777 1.00 0.00 H new ATOM 0 HG SER A 95 7.414 6.341 -14.840 1.00 0.00 H new ATOM 1464 N MET A 96 5.953 3.761 -11.124 1.00 0.00 N ATOM 1465 CA MET A 96 6.647 3.121 -10.013 1.00 0.00 C ATOM 1466 C MET A 96 6.391 1.618 -10.005 1.00 0.00 C ATOM 1467 O MET A 96 7.324 0.819 -9.924 1.00 0.00 O ATOM 1468 CB MET A 96 6.199 3.733 -8.684 1.00 0.00 C ATOM 1469 CG MET A 96 6.971 3.210 -7.483 1.00 0.00 C ATOM 1470 SD MET A 96 6.531 4.055 -5.952 1.00 0.00 S ATOM 1471 CE MET A 96 4.770 3.736 -5.884 1.00 0.00 C ATOM 0 H MET A 96 5.290 4.485 -10.847 1.00 0.00 H new ATOM 0 HA MET A 96 7.716 3.289 -10.141 1.00 0.00 H new ATOM 0 HB2 MET A 96 6.313 4.816 -8.735 1.00 0.00 H new ATOM 0 HB3 MET A 96 5.138 3.531 -8.540 1.00 0.00 H new ATOM 0 HG2 MET A 96 6.782 2.142 -7.371 1.00 0.00 H new ATOM 0 HG3 MET A 96 8.039 3.327 -7.664 1.00 0.00 H new ATOM 0 HE1 MET A 96 4.451 3.677 -4.843 1.00 0.00 H new ATOM 0 HE2 MET A 96 4.234 4.544 -6.382 1.00 0.00 H new ATOM 0 HE3 MET A 96 4.551 2.793 -6.385 1.00 0.00 H new ATOM 1481 N VAL A 97 5.120 1.238 -10.090 1.00 0.00 N ATOM 1482 CA VAL A 97 4.741 -0.170 -10.093 1.00 0.00 C ATOM 1483 C VAL A 97 5.426 -0.921 -11.230 1.00 0.00 C ATOM 1484 O VAL A 97 5.896 -2.043 -11.050 1.00 0.00 O ATOM 1485 CB VAL A 97 3.216 -0.341 -10.226 1.00 0.00 C ATOM 1486 CG1 VAL A 97 2.835 -1.812 -10.147 1.00 0.00 C ATOM 1487 CG2 VAL A 97 2.495 0.463 -9.155 1.00 0.00 C ATOM 0 H VAL A 97 4.335 1.886 -10.158 1.00 0.00 H new ATOM 0 HA VAL A 97 5.064 -0.586 -9.139 1.00 0.00 H new ATOM 0 HB VAL A 97 2.909 0.038 -11.201 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.754 -1.914 -10.243 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.324 -2.358 -10.954 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.154 -2.219 -9.188 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.419 0.331 -9.264 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.805 0.117 -8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.744 1.519 -9.263 1.00 0.00 H new ATOM 1497 N GLU A 98 5.479 -0.292 -12.400 1.00 0.00 N ATOM 1498 CA GLU A 98 6.107 -0.901 -13.566 1.00 0.00 C ATOM 1499 C GLU A 98 7.619 -1.003 -13.380 1.00 0.00 C ATOM 1500 O GLU A 98 8.255 -1.935 -13.871 1.00 0.00 O ATOM 1501 CB GLU A 98 5.791 -0.091 -14.825 1.00 0.00 C ATOM 1502 CG GLU A 98 4.464 0.646 -14.757 1.00 0.00 C ATOM 1503 CD GLU A 98 3.877 0.918 -16.128 1.00 0.00 C ATOM 1504 OE1 GLU A 98 4.183 0.154 -17.067 1.00 0.00 O ATOM 1505 OE2 GLU A 98 3.109 1.894 -16.262 1.00 0.00 O ATOM 0 H GLU A 98 5.095 0.638 -12.565 1.00 0.00 H new ATOM 0 HA GLU A 98 5.704 -1.907 -13.679 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.590 0.631 -14.992 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.781 -0.761 -15.685 1.00 0.00 H new ATOM 0 HG2 GLU A 98 3.756 0.058 -14.173 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.604 1.591 -14.232 1.00 0.00 H new ATOM 1512 N HIS A 99 8.187 -0.036 -12.667 1.00 0.00 N ATOM 1513 CA HIS A 99 9.624 -0.015 -12.414 1.00 0.00 C ATOM 1514 C HIS A 99 10.021 -1.126 -11.447 1.00 0.00 C ATOM 1515 O HIS A 99 10.993 -1.845 -11.678 1.00 0.00 O ATOM 1516 CB HIS A 99 10.045 1.343 -11.852 1.00 0.00 C ATOM 1517 CG HIS A 99 11.312 1.294 -11.055 1.00 0.00 C ATOM 1518 ND1 HIS A 99 11.620 0.619 -9.923 1.00 0.00 N flip ATOM 1519 CD2 HIS A 99 12.445 2.000 -11.398 1.00 0.00 C flip ATOM 1520 CE1 HIS A 99 12.921 0.925 -9.607 1.00 0.00 C flip ATOM 1521 NE2 HIS A 99 13.396 1.760 -10.514 1.00 0.00 N flip ATOM 0 H HIS A 99 7.675 0.743 -12.254 1.00 0.00 H new ATOM 0 HA HIS A 99 10.138 -0.181 -13.361 1.00 0.00 H new ATOM 0 HB2 HIS A 99 10.171 2.045 -12.676 1.00 0.00 H new ATOM 0 HB3 HIS A 99 9.244 1.731 -11.222 1.00 0.00 H new ATOM 0 HD2 HIS A 99 12.540 2.649 -12.256 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.467 0.545 -8.756 1.00 0.00 H new ATOM 0 HE2 HIS A 99 14.337 2.153 -10.529 1.00 0.00 H new ATOM 1530 N TYR A 100 9.264 -1.258 -10.363 1.00 0.00 N ATOM 1531 CA TYR A 100 9.540 -2.278 -9.359 1.00 0.00 C ATOM 1532 C TYR A 100 9.397 -3.677 -9.950 1.00 0.00 C ATOM 1533 O TYR A 100 10.115 -4.602 -9.568 1.00 0.00 O ATOM 1534 CB TYR A 100 8.596 -2.118 -8.166 1.00 0.00 C ATOM 1535 CG TYR A 100 8.942 -0.948 -7.273 1.00 0.00 C ATOM 1536 CD1 TYR A 100 10.260 -0.684 -6.920 1.00 0.00 C ATOM 1537 CD2 TYR A 100 7.952 -0.107 -6.780 1.00 0.00 C ATOM 1538 CE1 TYR A 100 10.582 0.383 -6.104 1.00 0.00 C ATOM 1539 CE2 TYR A 100 8.264 0.963 -5.965 1.00 0.00 C ATOM 1540 CZ TYR A 100 9.580 1.204 -5.629 1.00 0.00 C ATOM 1541 OH TYR A 100 9.895 2.268 -4.815 1.00 0.00 O ATOM 0 H TYR A 100 8.455 -0.672 -10.158 1.00 0.00 H new ATOM 0 HA TYR A 100 10.568 -2.149 -9.021 1.00 0.00 H new ATOM 0 HB2 TYR A 100 7.577 -1.995 -8.533 1.00 0.00 H new ATOM 0 HB3 TYR A 100 8.613 -3.033 -7.574 1.00 0.00 H new ATOM 0 HD1 TYR A 100 11.047 -1.325 -7.290 1.00 0.00 H new ATOM 0 HD2 TYR A 100 6.920 -0.294 -7.039 1.00 0.00 H new ATOM 0 HE1 TYR A 100 11.612 0.573 -5.839 1.00 0.00 H new ATOM 0 HE2 TYR A 100 7.482 1.608 -5.593 1.00 0.00 H new ATOM 0 HH TYR A 100 10.596 2.001 -4.184 1.00 0.00 H new ATOM 1551 N HIS A 101 8.464 -3.825 -10.885 1.00 0.00 N ATOM 1552 CA HIS A 101 8.226 -5.111 -11.532 1.00 0.00 C ATOM 1553 C HIS A 101 9.544 -5.806 -11.859 1.00 0.00 C ATOM 1554 O HIS A 101 9.597 -7.029 -11.993 1.00 0.00 O ATOM 1555 CB HIS A 101 7.407 -4.919 -12.809 1.00 0.00 C ATOM 1556 CG HIS A 101 5.934 -4.809 -12.564 1.00 0.00 C ATOM 1557 ND1 HIS A 101 5.244 -4.469 -11.449 1.00 0.00 N flip ATOM 1558 CD2 HIS A 101 4.988 -5.064 -13.534 1.00 0.00 C flip ATOM 1559 CE1 HIS A 101 3.909 -4.524 -11.764 1.00 0.00 C flip ATOM 1560 NE2 HIS A 101 3.781 -4.885 -13.028 1.00 0.00 N flip ATOM 0 H HIS A 101 7.860 -3.071 -11.212 1.00 0.00 H new ATOM 0 HA HIS A 101 7.665 -5.740 -10.841 1.00 0.00 H new ATOM 0 HB2 HIS A 101 7.750 -4.019 -13.319 1.00 0.00 H new ATOM 0 HB3 HIS A 101 7.594 -5.757 -13.480 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.201 -5.364 -14.550 1.00 0.00 H new ATOM 0 HE1 HIS A 101 3.095 -4.307 -11.088 1.00 0.00 H new ATOM 0 HE2 HIS A 101 2.900 -5.005 -13.528 1.00 0.00 H new ATOM 1569 N THR A 102 10.608 -5.019 -11.986 1.00 0.00 N ATOM 1570 CA THR A 102 11.925 -5.559 -12.299 1.00 0.00 C ATOM 1571 C THR A 102 12.910 -5.296 -11.165 1.00 0.00 C ATOM 1572 O THR A 102 13.908 -6.003 -11.020 1.00 0.00 O ATOM 1573 CB THR A 102 12.485 -4.955 -13.600 1.00 0.00 C ATOM 1574 OG1 THR A 102 12.644 -3.540 -13.455 1.00 0.00 O ATOM 1575 CG2 THR A 102 11.563 -5.250 -14.774 1.00 0.00 C ATOM 0 H THR A 102 10.583 -4.005 -11.877 1.00 0.00 H new ATOM 0 HA THR A 102 11.803 -6.634 -12.430 1.00 0.00 H new ATOM 0 HB THR A 102 13.456 -5.410 -13.797 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.974 -3.198 -12.827 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.979 -4.814 -15.682 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.468 -6.329 -14.900 1.00 0.00 H new ATOM 0 HG23 THR A 102 10.580 -4.820 -14.582 1.00 0.00 H new ATOM 1583 N HIS A 103 12.624 -4.276 -10.363 1.00 0.00 N ATOM 1584 CA HIS A 103 13.485 -3.921 -9.240 1.00 0.00 C ATOM 1585 C HIS A 103 12.767 -4.146 -7.913 1.00 0.00 C ATOM 1586 O HIS A 103 11.922 -3.346 -7.509 1.00 0.00 O ATOM 1587 CB HIS A 103 13.930 -2.463 -9.353 1.00 0.00 C ATOM 1588 CG HIS A 103 15.040 -2.249 -10.335 1.00 0.00 C ATOM 1589 ND1 HIS A 103 15.828 -1.118 -10.345 1.00 0.00 N ATOM 1590 CD2 HIS A 103 15.492 -3.030 -11.344 1.00 0.00 C ATOM 1591 CE1 HIS A 103 16.717 -1.212 -11.319 1.00 0.00 C ATOM 1592 NE2 HIS A 103 16.534 -2.364 -11.939 1.00 0.00 N ATOM 0 H HIS A 103 11.803 -3.680 -10.469 1.00 0.00 H new ATOM 0 HA HIS A 103 14.364 -4.564 -9.270 1.00 0.00 H new ATOM 0 HB2 HIS A 103 13.075 -1.853 -9.645 1.00 0.00 H new ATOM 0 HB3 HIS A 103 14.252 -2.113 -8.372 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.105 -3.997 -11.628 1.00 0.00 H new ATOM 0 HE1 HIS A 103 17.465 -0.473 -11.566 1.00 0.00 H new ATOM 0 HE2 HIS A 103 17.079 -2.704 -12.732 1.00 0.00 H new ATOM 1601 N VAL A 104 13.109 -5.239 -7.238 1.00 0.00 N ATOM 1602 CA VAL A 104 12.498 -5.568 -5.956 1.00 0.00 C ATOM 1603 C VAL A 104 12.318 -4.322 -5.097 1.00 0.00 C ATOM 1604 O VAL A 104 13.028 -3.330 -5.266 1.00 0.00 O ATOM 1605 CB VAL A 104 13.342 -6.597 -5.180 1.00 0.00 C ATOM 1606 CG1 VAL A 104 12.677 -6.943 -3.856 1.00 0.00 C ATOM 1607 CG2 VAL A 104 13.563 -7.846 -6.018 1.00 0.00 C ATOM 0 H VAL A 104 13.806 -5.911 -7.558 1.00 0.00 H new ATOM 0 HA VAL A 104 11.521 -6.000 -6.172 1.00 0.00 H new ATOM 0 HB VAL A 104 14.315 -6.155 -4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 104 13.287 -7.671 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 104 12.577 -6.041 -3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 104 11.690 -7.365 -4.044 1.00 0.00 H new ATOM 0 HG21 VAL A 104 14.161 -8.562 -5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 104 12.600 -8.293 -6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 104 14.086 -7.580 -6.936 1.00 0.00 H new ATOM 1617 N LEU A 105 11.364 -4.380 -4.174 1.00 0.00 N ATOM 1618 CA LEU A 105 11.090 -3.255 -3.285 1.00 0.00 C ATOM 1619 C LEU A 105 12.094 -3.210 -2.138 1.00 0.00 C ATOM 1620 O LEU A 105 12.713 -4.214 -1.782 1.00 0.00 O ATOM 1621 CB LEU A 105 9.668 -3.354 -2.730 1.00 0.00 C ATOM 1622 CG LEU A 105 8.608 -3.890 -3.692 1.00 0.00 C ATOM 1623 CD1 LEU A 105 7.494 -4.586 -2.924 1.00 0.00 C ATOM 1624 CD2 LEU A 105 8.046 -2.765 -4.548 1.00 0.00 C ATOM 0 H LEU A 105 10.767 -5.193 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 105 11.185 -2.335 -3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 105 9.687 -3.995 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.360 -2.363 -2.397 1.00 0.00 H new ATOM 0 HG LEU A 105 9.079 -4.620 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.748 -4.961 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.909 -5.418 -2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.026 -3.878 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.293 -3.166 -5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.591 -2.011 -3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.851 -2.311 -5.126 1.00 0.00 H new ATOM 1636 N PRO A 106 12.260 -2.020 -1.543 1.00 0.00 N ATOM 1637 CA PRO A 106 13.186 -1.816 -0.425 1.00 0.00 C ATOM 1638 C PRO A 106 12.711 -2.498 0.853 1.00 0.00 C ATOM 1639 O PRO A 106 11.544 -2.870 0.972 1.00 0.00 O ATOM 1640 CB PRO A 106 13.198 -0.296 -0.247 1.00 0.00 C ATOM 1641 CG PRO A 106 11.887 0.159 -0.790 1.00 0.00 C ATOM 1642 CD PRO A 106 11.556 -0.781 -1.916 1.00 0.00 C ATOM 0 HA PRO A 106 14.168 -2.243 -0.627 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.309 -0.021 0.802 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.029 0.159 -0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 106 11.116 0.133 -0.020 1.00 0.00 H new ATOM 0 HG3 PRO A 106 11.948 1.188 -1.145 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.481 -0.940 -2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 106 11.901 -0.396 -2.876 1.00 0.00 H new ATOM 1650 N SER A 107 13.623 -2.659 1.807 1.00 0.00 N ATOM 1651 CA SER A 107 13.298 -3.301 3.075 1.00 0.00 C ATOM 1652 C SER A 107 12.972 -4.777 2.870 1.00 0.00 C ATOM 1653 O SER A 107 12.255 -5.383 3.667 1.00 0.00 O ATOM 1654 CB SER A 107 12.115 -2.593 3.740 1.00 0.00 C ATOM 1655 OG SER A 107 10.883 -3.142 3.306 1.00 0.00 O ATOM 0 H SER A 107 14.593 -2.354 1.725 1.00 0.00 H new ATOM 0 HA SER A 107 14.170 -3.227 3.725 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.195 -2.683 4.823 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.145 -1.529 3.506 1.00 0.00 H new ATOM 0 HG SER A 107 10.791 -3.015 2.339 1.00 0.00 H new ATOM 1661 N HIS A 108 13.503 -5.350 1.795 1.00 0.00 N ATOM 1662 CA HIS A 108 13.270 -6.756 1.484 1.00 0.00 C ATOM 1663 C HIS A 108 14.355 -7.294 0.556 1.00 0.00 C ATOM 1664 O HIS A 108 15.319 -6.595 0.243 1.00 0.00 O ATOM 1665 CB HIS A 108 11.896 -6.936 0.839 1.00 0.00 C ATOM 1666 CG HIS A 108 11.183 -8.176 1.284 1.00 0.00 C ATOM 1667 ND1 HIS A 108 11.275 -9.378 0.615 1.00 0.00 N ATOM 1668 CD2 HIS A 108 10.365 -8.396 2.339 1.00 0.00 C ATOM 1669 CE1 HIS A 108 10.542 -10.283 1.238 1.00 0.00 C ATOM 1670 NE2 HIS A 108 9.980 -9.713 2.288 1.00 0.00 N ATOM 0 H HIS A 108 14.097 -4.863 1.125 1.00 0.00 H new ATOM 0 HA HIS A 108 13.302 -7.319 2.417 1.00 0.00 H new ATOM 0 HB2 HIS A 108 11.278 -6.068 1.071 1.00 0.00 H new ATOM 0 HB3 HIS A 108 12.013 -6.963 -0.244 1.00 0.00 H new ATOM 0 HD2 HIS A 108 10.070 -7.671 3.083 1.00 0.00 H new ATOM 0 HE1 HIS A 108 10.423 -11.314 0.939 1.00 0.00 H new ATOM 0 HE2 HIS A 108 9.361 -10.176 2.953 1.00 0.00 H new ATOM 1679 N GLN A 109 14.191 -8.539 0.121 1.00 0.00 N ATOM 1680 CA GLN A 109 15.158 -9.170 -0.770 1.00 0.00 C ATOM 1681 C GLN A 109 14.464 -9.770 -1.988 1.00 0.00 C ATOM 1682 O GLN A 109 14.906 -9.581 -3.122 1.00 0.00 O ATOM 1683 CB GLN A 109 15.936 -10.256 -0.025 1.00 0.00 C ATOM 1684 CG GLN A 109 15.050 -11.203 0.769 1.00 0.00 C ATOM 1685 CD GLN A 109 15.744 -11.760 1.996 1.00 0.00 C ATOM 1686 OE1 GLN A 109 16.491 -11.054 2.676 1.00 0.00 O ATOM 1687 NE2 GLN A 109 15.501 -13.033 2.288 1.00 0.00 N ATOM 0 H GLN A 109 13.398 -9.130 0.371 1.00 0.00 H new ATOM 0 HA GLN A 109 15.854 -8.404 -1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 109 16.517 -10.833 -0.744 1.00 0.00 H new ATOM 0 HB3 GLN A 109 16.646 -9.782 0.653 1.00 0.00 H new ATOM 0 HG2 GLN A 109 14.145 -10.677 1.075 1.00 0.00 H new ATOM 0 HG3 GLN A 109 14.738 -12.027 0.127 1.00 0.00 H new ATOM 0 HE21 GLN A 109 14.876 -13.581 1.698 1.00 0.00 H new ATOM 0 HE22 GLN A 109 15.940 -13.462 3.103 1.00 0.00 H new ATOM 1696 N SER A 110 13.376 -10.495 -1.747 1.00 0.00 N ATOM 1697 CA SER A 110 12.624 -11.127 -2.825 1.00 0.00 C ATOM 1698 C SER A 110 11.147 -10.751 -2.749 1.00 0.00 C ATOM 1699 O SER A 110 10.276 -11.620 -2.683 1.00 0.00 O ATOM 1700 CB SER A 110 12.779 -12.647 -2.760 1.00 0.00 C ATOM 1701 OG SER A 110 14.014 -13.058 -3.322 1.00 0.00 O ATOM 0 H SER A 110 12.996 -10.659 -0.815 1.00 0.00 H new ATOM 0 HA SER A 110 13.024 -10.769 -3.773 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.720 -12.978 -1.723 1.00 0.00 H new ATOM 0 HB3 SER A 110 11.956 -13.123 -3.294 1.00 0.00 H new ATOM 0 HG SER A 110 14.090 -14.033 -3.267 1.00 0.00 H new ATOM 1707 N LEU A 111 10.873 -9.451 -2.759 1.00 0.00 N ATOM 1708 CA LEU A 111 9.501 -8.958 -2.692 1.00 0.00 C ATOM 1709 C LEU A 111 9.223 -7.967 -3.817 1.00 0.00 C ATOM 1710 O LEU A 111 9.509 -6.775 -3.694 1.00 0.00 O ATOM 1711 CB LEU A 111 9.243 -8.296 -1.337 1.00 0.00 C ATOM 1712 CG LEU A 111 7.845 -7.710 -1.133 1.00 0.00 C ATOM 1713 CD1 LEU A 111 6.781 -8.767 -1.386 1.00 0.00 C ATOM 1714 CD2 LEU A 111 7.707 -7.137 0.270 1.00 0.00 C ATOM 0 H LEU A 111 11.582 -8.720 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 111 8.829 -9.808 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 111 9.424 -9.033 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 111 9.973 -7.499 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 111 7.702 -6.902 -1.850 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.793 -8.332 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.866 -9.131 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 111 6.921 -9.597 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 111 6.706 -6.724 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.870 -7.927 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.446 -6.349 0.415 1.00 0.00 H new ATOM 1726 N LEU A 112 8.662 -8.466 -4.913 1.00 0.00 N ATOM 1727 CA LEU A 112 8.343 -7.624 -6.060 1.00 0.00 C ATOM 1728 C LEU A 112 6.839 -7.391 -6.163 1.00 0.00 C ATOM 1729 O LEU A 112 6.074 -7.808 -5.292 1.00 0.00 O ATOM 1730 CB LEU A 112 8.861 -8.265 -7.349 1.00 0.00 C ATOM 1731 CG LEU A 112 10.380 -8.386 -7.474 1.00 0.00 C ATOM 1732 CD1 LEU A 112 10.753 -9.645 -8.242 1.00 0.00 C ATOM 1733 CD2 LEU A 112 10.959 -7.154 -8.154 1.00 0.00 C ATOM 0 H LEU A 112 8.419 -9.449 -5.031 1.00 0.00 H new ATOM 0 HA LEU A 112 8.833 -6.660 -5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 112 8.429 -9.262 -7.435 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.492 -7.684 -8.194 1.00 0.00 H new ATOM 0 HG LEU A 112 10.804 -8.456 -6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 112 11.838 -9.715 -8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 112 10.371 -10.519 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 112 10.318 -9.604 -9.241 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.041 -7.258 -8.234 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.529 -7.053 -9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.722 -6.268 -7.565 1.00 0.00 H new ATOM 1745 N LEU A 113 6.420 -6.726 -7.234 1.00 0.00 N ATOM 1746 CA LEU A 113 5.006 -6.440 -7.453 1.00 0.00 C ATOM 1747 C LEU A 113 4.476 -7.207 -8.660 1.00 0.00 C ATOM 1748 O LEU A 113 4.568 -6.737 -9.795 1.00 0.00 O ATOM 1749 CB LEU A 113 4.794 -4.939 -7.654 1.00 0.00 C ATOM 1750 CG LEU A 113 5.372 -4.028 -6.570 1.00 0.00 C ATOM 1751 CD1 LEU A 113 5.205 -2.567 -6.956 1.00 0.00 C ATOM 1752 CD2 LEU A 113 4.707 -4.307 -5.230 1.00 0.00 C ATOM 0 H LEU A 113 7.039 -6.375 -7.964 1.00 0.00 H new ATOM 0 HA LEU A 113 4.454 -6.763 -6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.233 -4.655 -8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 113 3.723 -4.750 -7.726 1.00 0.00 H new ATOM 0 HG LEU A 113 6.437 -4.238 -6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.622 -1.934 -6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.727 -2.376 -7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 113 4.146 -2.342 -7.079 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.130 -3.650 -4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 113 3.635 -4.125 -5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 113 4.879 -5.346 -4.948 1.00 0.00 H new ATOM 1764 N ARG A 114 3.920 -8.387 -8.408 1.00 0.00 N ATOM 1765 CA ARG A 114 3.374 -9.218 -9.475 1.00 0.00 C ATOM 1766 C ARG A 114 1.926 -8.841 -9.770 1.00 0.00 C ATOM 1767 O ARG A 114 1.608 -8.360 -10.858 1.00 0.00 O ATOM 1768 CB ARG A 114 3.460 -10.697 -9.093 1.00 0.00 C ATOM 1769 CG ARG A 114 4.884 -11.219 -8.995 1.00 0.00 C ATOM 1770 CD ARG A 114 5.025 -12.247 -7.884 1.00 0.00 C ATOM 1771 NE ARG A 114 6.397 -12.334 -7.389 1.00 0.00 N ATOM 1772 CZ ARG A 114 7.367 -12.985 -8.022 1.00 0.00 C ATOM 1773 NH1 ARG A 114 7.117 -13.601 -9.169 1.00 0.00 N ATOM 1774 NH2 ARG A 114 8.589 -13.018 -7.508 1.00 0.00 N ATOM 0 H ARG A 114 3.835 -8.790 -7.475 1.00 0.00 H new ATOM 0 HA ARG A 114 3.966 -9.047 -10.374 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.961 -10.846 -8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 114 2.916 -11.286 -9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.175 -11.667 -9.945 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.565 -10.388 -8.812 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.359 -11.986 -7.062 1.00 0.00 H new ATOM 0 HD3 ARG A 114 4.710 -13.224 -8.252 1.00 0.00 H new ATOM 0 HE ARG A 114 6.622 -11.870 -6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.178 -13.576 -9.567 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.863 -14.100 -9.653 1.00 0.00 H new ATOM 0 HH21 ARG A 114 8.784 -12.544 -6.626 1.00 0.00 H new ATOM 0 HH22 ARG A 114 9.333 -13.518 -7.994 1.00 0.00 H new ATOM 1788 N HIS A 115 1.051 -9.064 -8.794 1.00 0.00 N ATOM 1789 CA HIS A 115 -0.365 -8.747 -8.950 1.00 0.00 C ATOM 1790 C HIS A 115 -0.859 -7.884 -7.793 1.00 0.00 C ATOM 1791 O HIS A 115 -0.552 -8.132 -6.626 1.00 0.00 O ATOM 1792 CB HIS A 115 -1.190 -10.032 -9.031 1.00 0.00 C ATOM 1793 CG HIS A 115 -0.449 -11.182 -9.640 1.00 0.00 C ATOM 1794 ND1 HIS A 115 -0.216 -11.296 -10.994 1.00 0.00 N ATOM 1795 CD2 HIS A 115 0.115 -12.273 -9.070 1.00 0.00 C ATOM 1796 CE1 HIS A 115 0.457 -12.407 -11.231 1.00 0.00 C ATOM 1797 NE2 HIS A 115 0.671 -13.019 -10.080 1.00 0.00 N ATOM 0 H HIS A 115 1.297 -9.462 -7.888 1.00 0.00 H new ATOM 0 HA HIS A 115 -0.487 -8.186 -9.877 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -1.514 -10.310 -8.028 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -2.090 -9.840 -9.615 1.00 0.00 H new ATOM 0 HD2 HIS A 115 0.126 -12.512 -8.017 1.00 0.00 H new ATOM 0 HE1 HIS A 115 0.778 -12.756 -12.201 1.00 0.00 H new ATOM 0 HE2 HIS A 115 1.168 -13.902 -9.961 1.00 0.00 H new ATOM 1806 N PRO A 116 -1.641 -6.845 -8.121 1.00 0.00 N ATOM 1807 CA PRO A 116 -2.193 -5.924 -7.123 1.00 0.00 C ATOM 1808 C PRO A 116 -3.262 -6.581 -6.257 1.00 0.00 C ATOM 1809 O PRO A 116 -3.542 -7.772 -6.395 1.00 0.00 O ATOM 1810 CB PRO A 116 -2.805 -4.807 -7.972 1.00 0.00 C ATOM 1811 CG PRO A 116 -3.113 -5.450 -9.280 1.00 0.00 C ATOM 1812 CD PRO A 116 -2.047 -6.490 -9.491 1.00 0.00 C ATOM 0 HA PRO A 116 -1.433 -5.578 -6.423 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -3.705 -4.405 -7.507 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -2.110 -3.976 -8.093 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.104 -5.904 -9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -3.108 -4.717 -10.086 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.431 -7.354 -10.033 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -1.211 -6.097 -10.069 1.00 0.00 H new ATOM 1820 N TYR A 117 -3.857 -5.798 -5.364 1.00 0.00 N ATOM 1821 CA TYR A 117 -4.894 -6.304 -4.473 1.00 0.00 C ATOM 1822 C TYR A 117 -6.280 -6.085 -5.071 1.00 0.00 C ATOM 1823 O TYR A 117 -6.526 -5.089 -5.750 1.00 0.00 O ATOM 1824 CB TYR A 117 -4.801 -5.621 -3.108 1.00 0.00 C ATOM 1825 CG TYR A 117 -6.087 -5.677 -2.314 1.00 0.00 C ATOM 1826 CD1 TYR A 117 -6.693 -6.892 -2.020 1.00 0.00 C ATOM 1827 CD2 TYR A 117 -6.696 -4.514 -1.858 1.00 0.00 C ATOM 1828 CE1 TYR A 117 -7.868 -6.948 -1.296 1.00 0.00 C ATOM 1829 CE2 TYR A 117 -7.871 -4.561 -1.132 1.00 0.00 C ATOM 1830 CZ TYR A 117 -8.453 -5.780 -0.854 1.00 0.00 C ATOM 1831 OH TYR A 117 -9.623 -5.831 -0.131 1.00 0.00 O ATOM 0 H TYR A 117 -3.639 -4.810 -5.238 1.00 0.00 H new ATOM 0 HA TYR A 117 -4.738 -7.375 -4.347 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.006 -6.091 -2.529 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -4.517 -4.578 -3.251 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.237 -7.809 -2.364 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -6.244 -3.558 -2.075 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -8.326 -7.901 -1.077 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -8.331 -3.648 -0.784 1.00 0.00 H new ATOM 0 HH TYR A 117 -10.144 -6.614 -0.406 1.00 0.00 H new ATOM 1841 N GLY A 118 -7.185 -7.025 -4.813 1.00 0.00 N ATOM 1842 CA GLY A 118 -8.536 -6.917 -5.331 1.00 0.00 C ATOM 1843 C GLY A 118 -8.626 -7.298 -6.796 1.00 0.00 C ATOM 1844 O GLY A 118 -9.530 -8.030 -7.199 1.00 0.00 O ATOM 0 H GLY A 118 -7.006 -7.859 -4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -9.197 -7.560 -4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -8.891 -5.895 -5.202 1.00 0.00 H new ATOM 1848 N TYR A 119 -7.690 -6.798 -7.594 1.00 0.00 N ATOM 1849 CA TYR A 119 -7.670 -7.086 -9.023 1.00 0.00 C ATOM 1850 C TYR A 119 -8.014 -8.549 -9.289 1.00 0.00 C ATOM 1851 O TYR A 119 -7.952 -9.388 -8.389 1.00 0.00 O ATOM 1852 CB TYR A 119 -6.297 -6.758 -9.613 1.00 0.00 C ATOM 1853 CG TYR A 119 -6.210 -6.981 -11.105 1.00 0.00 C ATOM 1854 CD1 TYR A 119 -6.721 -6.048 -11.999 1.00 0.00 C ATOM 1855 CD2 TYR A 119 -5.615 -8.126 -11.623 1.00 0.00 C ATOM 1856 CE1 TYR A 119 -6.644 -6.248 -13.363 1.00 0.00 C ATOM 1857 CE2 TYR A 119 -5.532 -8.334 -12.986 1.00 0.00 C ATOM 1858 CZ TYR A 119 -6.049 -7.393 -13.852 1.00 0.00 C ATOM 1859 OH TYR A 119 -5.969 -7.595 -15.211 1.00 0.00 O ATOM 0 H TYR A 119 -6.935 -6.191 -7.276 1.00 0.00 H new ATOM 0 HA TYR A 119 -8.423 -6.461 -9.504 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -6.057 -5.717 -9.395 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -5.543 -7.370 -9.118 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -7.187 -5.150 -11.620 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -5.211 -8.866 -10.948 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -7.047 -5.512 -14.043 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -5.065 -9.228 -13.371 1.00 0.00 H new ATOM 0 HH TYR A 119 -5.521 -8.448 -15.389 1.00 0.00 H new