USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 633 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 96 MET CE :methyl 146:sc= -3.73! (180deg=-5.15!) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= -0.533 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc=-0.000167 USER MOD Set 2.2: A 32 HIS : no HD1:sc= 0.0567 K(o=0.057,f=-2.4!) USER MOD Single : A 19 MET CE :methyl -141:sc= -2.85! (180deg=-3.31) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 63 SER OG : rot -66:sc= 1.07 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 34:sc= 0.0417 USER MOD Single : A 80 TYR OH : rot -26:sc= -0.521 USER MOD Single : A 81 THR OG1 : rot -173:sc= -1.63 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN :FLIP amide:sc= -3.6! C(o=-4.7!,f=-3.6!) USER MOD Single : A 89 THR OG1 : rot 68:sc= 0.222 USER MOD Single : A 90 MET CE :methyl 165:sc= -0.0354 (180deg=-0.344) USER MOD Single : A 91 TYR OH : rot 61:sc= -0.228 USER MOD Single : A 94 SER OG : rot 63:sc= -1.02 USER MOD Single : A 99 LYS NZ :NH3+ 164:sc= 0.194 (180deg=0.123) USER MOD Single : A 100 ASN : amide:sc= -2.72! C(o=-2.7!,f=-5.3!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -77:sc= 0.264 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0718 USER MOD Single : A 107 SER OG : rot -83:sc= -0.965! USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 160:sc= -0.0067 USER MOD Single : A 111 HIS : no HD1:sc= -0.0789 X(o=-0.079,f=-0.3) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.475 USER MOD Single : A 114 THR OG1 : rot -170:sc= 0.951 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 225 N MET A 19 4.538 18.212 2.829 1.00 0.00 N ATOM 226 CA MET A 19 3.805 17.253 2.010 1.00 0.00 C ATOM 227 C MET A 19 2.902 16.378 2.874 1.00 0.00 C ATOM 228 O MET A 19 3.189 16.142 4.048 1.00 0.00 O ATOM 229 CB MET A 19 4.778 16.378 1.218 1.00 0.00 C ATOM 230 CG MET A 19 5.572 17.144 0.173 1.00 0.00 C ATOM 231 SD MET A 19 4.541 17.746 -1.179 1.00 0.00 S ATOM 232 CE MET A 19 3.939 16.202 -1.858 1.00 0.00 C ATOM 0 HA MET A 19 3.180 17.811 1.313 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.471 15.901 1.911 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.220 15.581 0.726 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.071 17.989 0.648 1.00 0.00 H new ATOM 0 HG3 MET A 19 6.352 16.499 -0.230 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.912 16.269 -2.946 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.603 15.390 -1.560 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.935 16.006 -1.482 1.00 0.00 H new ATOM 242 N LEU A 20 1.811 15.900 2.285 1.00 0.00 N ATOM 243 CA LEU A 20 0.866 15.050 3.002 1.00 0.00 C ATOM 244 C LEU A 20 0.516 13.813 2.181 1.00 0.00 C ATOM 245 O LEU A 20 -0.031 13.902 1.081 1.00 0.00 O ATOM 246 CB LEU A 20 -0.405 15.833 3.332 1.00 0.00 C ATOM 247 CG LEU A 20 -1.143 15.410 4.603 1.00 0.00 C ATOM 248 CD1 LEU A 20 -1.721 14.013 4.445 1.00 0.00 C ATOM 249 CD2 LEU A 20 -0.212 15.472 5.806 1.00 0.00 C ATOM 0 H LEU A 20 1.559 16.086 1.314 1.00 0.00 H new ATOM 0 HA LEU A 20 1.337 14.726 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.145 16.888 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.092 15.744 2.490 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.967 16.104 4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.242 13.729 5.359 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.421 14.001 3.610 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.915 13.305 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.754 15.168 6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.632 14.801 5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.153 16.491 5.932 1.00 0.00 H new ATOM 261 N PRO A 21 0.835 12.630 2.727 1.00 0.00 N ATOM 262 CA PRO A 21 0.561 11.352 2.063 1.00 0.00 C ATOM 263 C PRO A 21 -0.929 11.035 2.009 1.00 0.00 C ATOM 264 O PRO A 21 -1.738 11.609 2.740 1.00 0.00 O ATOM 265 CB PRO A 21 1.293 10.333 2.940 1.00 0.00 C ATOM 266 CG PRO A 21 1.365 10.972 4.284 1.00 0.00 C ATOM 267 CD PRO A 21 1.489 12.449 4.034 1.00 0.00 C ATOM 0 HA PRO A 21 0.889 11.354 1.023 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.755 9.386 2.980 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.288 10.118 2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.474 10.749 4.870 1.00 0.00 H new ATOM 0 HG3 PRO A 21 2.220 10.599 4.848 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.997 13.031 4.813 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.532 12.766 4.009 1.00 0.00 H new ATOM 275 N PRO A 22 -1.305 10.099 1.125 1.00 0.00 N ATOM 276 CA PRO A 22 -2.700 9.684 0.955 1.00 0.00 C ATOM 277 C PRO A 22 -3.221 8.899 2.155 1.00 0.00 C ATOM 278 O PRO A 22 -2.465 8.564 3.066 1.00 0.00 O ATOM 279 CB PRO A 22 -2.657 8.794 -0.289 1.00 0.00 C ATOM 280 CG PRO A 22 -1.260 8.278 -0.337 1.00 0.00 C ATOM 281 CD PRO A 22 -0.395 9.374 0.222 1.00 0.00 C ATOM 0 HA PRO A 22 -3.371 10.538 0.861 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.378 7.979 -0.218 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.902 9.359 -1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.161 7.365 0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.969 8.034 -1.359 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.466 8.973 0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.009 10.022 -0.565 1.00 0.00 H new ATOM 289 N VAL A 23 -4.519 8.609 2.148 1.00 0.00 N ATOM 290 CA VAL A 23 -5.140 7.862 3.235 1.00 0.00 C ATOM 291 C VAL A 23 -6.177 6.879 2.703 1.00 0.00 C ATOM 292 O VAL A 23 -6.378 6.766 1.495 1.00 0.00 O ATOM 293 CB VAL A 23 -5.816 8.805 4.249 1.00 0.00 C ATOM 294 CG1 VAL A 23 -4.783 9.702 4.914 1.00 0.00 C ATOM 295 CG2 VAL A 23 -6.895 9.633 3.569 1.00 0.00 C ATOM 0 H VAL A 23 -5.160 8.880 1.402 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.344 7.311 3.736 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.289 8.200 5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.278 10.361 5.627 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.050 9.087 5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.279 10.301 4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.362 10.293 4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.448 10.230 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.649 8.970 3.145 1.00 0.00 H new ATOM 305 N GLY A 24 -6.833 6.168 3.615 1.00 0.00 N ATOM 306 CA GLY A 24 -7.842 5.203 3.219 1.00 0.00 C ATOM 307 C GLY A 24 -7.356 4.274 2.124 1.00 0.00 C ATOM 308 O GLY A 24 -8.129 3.869 1.256 1.00 0.00 O ATOM 0 H GLY A 24 -6.684 6.243 4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.137 4.614 4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.731 5.732 2.875 1.00 0.00 H new ATOM 312 N VAL A 25 -6.072 3.935 2.165 1.00 0.00 N ATOM 313 CA VAL A 25 -5.483 3.047 1.169 1.00 0.00 C ATOM 314 C VAL A 25 -6.087 1.650 1.253 1.00 0.00 C ATOM 315 O VAL A 25 -6.076 1.022 2.312 1.00 0.00 O ATOM 316 CB VAL A 25 -3.956 2.946 1.339 1.00 0.00 C ATOM 317 CG1 VAL A 25 -3.321 2.323 0.105 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.360 4.317 1.620 1.00 0.00 C ATOM 0 H VAL A 25 -5.419 4.262 2.877 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.704 3.477 0.192 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.745 2.301 2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.242 2.260 0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.726 1.323 -0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.539 2.939 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.280 4.227 1.737 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.580 4.987 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.792 4.721 2.536 1.00 0.00 H new ATOM 328 N GLN A 26 -6.611 1.169 0.130 1.00 0.00 N ATOM 329 CA GLN A 26 -7.219 -0.156 0.078 1.00 0.00 C ATOM 330 C GLN A 26 -6.525 -1.033 -0.959 1.00 0.00 C ATOM 331 O GLN A 26 -6.295 -0.609 -2.091 1.00 0.00 O ATOM 332 CB GLN A 26 -8.710 -0.043 -0.247 1.00 0.00 C ATOM 333 CG GLN A 26 -9.375 -1.382 -0.522 1.00 0.00 C ATOM 334 CD GLN A 26 -10.816 -1.236 -0.971 1.00 0.00 C ATOM 335 OE1 GLN A 26 -11.192 -0.229 -1.571 1.00 0.00 O ATOM 336 NE2 GLN A 26 -11.631 -2.244 -0.683 1.00 0.00 N ATOM 0 H GLN A 26 -6.627 1.676 -0.755 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.102 -0.621 1.057 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.219 0.442 0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.836 0.602 -1.117 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.811 -1.913 -1.289 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.339 -1.993 0.380 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.277 -3.060 -0.184 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.612 -2.202 -0.961 1.00 0.00 H new ATOM 345 N ALA A 27 -6.194 -2.258 -0.563 1.00 0.00 N ATOM 346 CA ALA A 27 -5.527 -3.195 -1.459 1.00 0.00 C ATOM 347 C ALA A 27 -6.467 -4.323 -1.872 1.00 0.00 C ATOM 348 O ALA A 27 -6.669 -5.281 -1.125 1.00 0.00 O ATOM 349 CB ALA A 27 -4.280 -3.761 -0.797 1.00 0.00 C ATOM 0 H ALA A 27 -6.377 -2.624 0.371 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.234 -2.654 -2.358 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.792 -4.459 -1.477 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.594 -2.948 -0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.559 -4.282 0.119 1.00 0.00 H new ATOM 355 N VAL A 28 -7.041 -4.202 -3.065 1.00 0.00 N ATOM 356 CA VAL A 28 -7.960 -5.211 -3.577 1.00 0.00 C ATOM 357 C VAL A 28 -7.219 -6.264 -4.394 1.00 0.00 C ATOM 358 O VAL A 28 -6.318 -5.943 -5.168 1.00 0.00 O ATOM 359 CB VAL A 28 -9.059 -4.578 -4.451 1.00 0.00 C ATOM 360 CG1 VAL A 28 -10.014 -5.645 -4.963 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.809 -3.509 -3.671 1.00 0.00 C ATOM 0 H VAL A 28 -6.886 -3.415 -3.695 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.423 -5.686 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.587 -4.104 -5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.784 -5.179 -5.578 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.462 -6.371 -5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.482 -6.150 -4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.582 -3.072 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.271 -3.957 -2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.113 -2.731 -3.359 1.00 0.00 H new ATOM 371 N ALA A 29 -7.606 -7.523 -4.217 1.00 0.00 N ATOM 372 CA ALA A 29 -6.981 -8.624 -4.940 1.00 0.00 C ATOM 373 C ALA A 29 -7.816 -9.030 -6.149 1.00 0.00 C ATOM 374 O ALA A 29 -8.895 -9.608 -6.006 1.00 0.00 O ATOM 375 CB ALA A 29 -6.775 -9.813 -4.014 1.00 0.00 C ATOM 0 H ALA A 29 -8.350 -7.806 -3.579 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.009 -8.286 -5.300 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.308 -10.628 -4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.131 -9.521 -3.185 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.739 -10.143 -3.626 1.00 0.00 H new ATOM 381 N LEU A 30 -7.312 -8.725 -7.340 1.00 0.00 N ATOM 382 CA LEU A 30 -8.012 -9.059 -8.575 1.00 0.00 C ATOM 383 C LEU A 30 -7.844 -10.536 -8.915 1.00 0.00 C ATOM 384 O LEU A 30 -8.824 -11.252 -9.128 1.00 0.00 O ATOM 385 CB LEU A 30 -7.493 -8.197 -9.728 1.00 0.00 C ATOM 386 CG LEU A 30 -7.423 -6.693 -9.462 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.489 -6.018 -10.454 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.812 -6.075 -9.529 1.00 0.00 C ATOM 0 H LEU A 30 -6.421 -8.247 -7.476 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.073 -8.858 -8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.495 -8.545 -9.995 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.132 -8.363 -10.596 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.026 -6.539 -8.459 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.452 -4.948 -10.249 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.489 -6.441 -10.358 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.856 -6.181 -11.468 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.743 -5.004 -9.337 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.236 -6.240 -10.519 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.453 -6.538 -8.778 1.00 0.00 H new ATOM 400 N THR A 31 -6.595 -10.989 -8.961 1.00 0.00 N ATOM 401 CA THR A 31 -6.298 -12.382 -9.273 1.00 0.00 C ATOM 402 C THR A 31 -5.043 -12.852 -8.546 1.00 0.00 C ATOM 403 O THR A 31 -4.380 -12.072 -7.862 1.00 0.00 O ATOM 404 CB THR A 31 -6.110 -12.590 -10.787 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.196 -13.984 -11.104 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.766 -12.043 -11.246 1.00 0.00 C ATOM 0 H THR A 31 -5.773 -10.411 -8.786 1.00 0.00 H new ATOM 0 HA THR A 31 -7.151 -12.971 -8.937 1.00 0.00 H new ATOM 0 HB THR A 31 -6.901 -12.050 -11.307 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.077 -14.108 -12.069 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.656 -12.201 -12.319 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.714 -10.976 -11.030 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.964 -12.559 -10.719 1.00 0.00 H new ATOM 414 N HIS A 32 -4.722 -14.133 -8.699 1.00 0.00 N ATOM 415 CA HIS A 32 -3.544 -14.707 -8.058 1.00 0.00 C ATOM 416 C HIS A 32 -2.295 -13.897 -8.390 1.00 0.00 C ATOM 417 O HIS A 32 -1.345 -13.853 -7.608 1.00 0.00 O ATOM 418 CB HIS A 32 -3.356 -16.160 -8.498 1.00 0.00 C ATOM 419 CG HIS A 32 -3.548 -16.371 -9.968 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.789 -16.511 -10.552 1.00 0.00 N ATOM 421 CD2 HIS A 32 -2.648 -16.463 -10.974 1.00 0.00 C ATOM 422 CE1 HIS A 32 -4.644 -16.682 -11.854 1.00 0.00 C ATOM 423 NE2 HIS A 32 -3.354 -16.656 -12.136 1.00 0.00 N ATOM 0 H HIS A 32 -5.260 -14.793 -9.261 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.697 -14.678 -6.979 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.354 -16.488 -8.220 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -4.060 -16.790 -7.954 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.574 -16.397 -10.881 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.444 -16.820 -12.566 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.948 -16.762 -13.066 1.00 0.00 H new ATOM 432 N ASP A 33 -2.303 -13.257 -9.554 1.00 0.00 N ATOM 433 CA ASP A 33 -1.171 -12.448 -9.990 1.00 0.00 C ATOM 434 C ASP A 33 -1.616 -11.029 -10.331 1.00 0.00 C ATOM 435 O ASP A 33 -1.173 -10.450 -11.322 1.00 0.00 O ATOM 436 CB ASP A 33 -0.494 -13.089 -11.202 1.00 0.00 C ATOM 437 CG ASP A 33 0.080 -14.456 -10.889 1.00 0.00 C ATOM 438 OD1 ASP A 33 0.244 -14.770 -9.691 1.00 0.00 O ATOM 439 OD2 ASP A 33 0.368 -15.212 -11.841 1.00 0.00 O ATOM 0 H ASP A 33 -3.081 -13.283 -10.213 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.455 -12.398 -9.169 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.217 -13.179 -12.013 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.303 -12.436 -11.557 1.00 0.00 H new ATOM 444 N ALA A 34 -2.497 -10.476 -9.504 1.00 0.00 N ATOM 445 CA ALA A 34 -3.002 -9.125 -9.718 1.00 0.00 C ATOM 446 C ALA A 34 -3.586 -8.547 -8.433 1.00 0.00 C ATOM 447 O ALA A 34 -4.155 -9.272 -7.617 1.00 0.00 O ATOM 448 CB ALA A 34 -4.048 -9.121 -10.823 1.00 0.00 C ATOM 0 H ALA A 34 -2.876 -10.942 -8.680 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.166 -8.495 -10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.416 -8.106 -10.972 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.601 -9.484 -11.748 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.877 -9.770 -10.541 1.00 0.00 H new ATOM 454 N VAL A 35 -3.441 -7.238 -8.259 1.00 0.00 N ATOM 455 CA VAL A 35 -3.954 -6.562 -7.073 1.00 0.00 C ATOM 456 C VAL A 35 -4.260 -5.097 -7.364 1.00 0.00 C ATOM 457 O VAL A 35 -3.370 -4.327 -7.726 1.00 0.00 O ATOM 458 CB VAL A 35 -2.956 -6.645 -5.904 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.246 -5.562 -4.876 1.00 0.00 C ATOM 460 CG2 VAL A 35 -2.998 -8.024 -5.264 1.00 0.00 C ATOM 0 H VAL A 35 -2.972 -6.624 -8.925 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.875 -7.073 -6.791 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.952 -6.482 -6.295 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.530 -5.637 -4.057 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.159 -4.582 -5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.256 -5.690 -4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.286 -8.064 -4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.002 -8.220 -4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.736 -8.778 -6.007 1.00 0.00 H new ATOM 470 N ARG A 36 -5.524 -4.719 -7.203 1.00 0.00 N ATOM 471 CA ARG A 36 -5.947 -3.346 -7.449 1.00 0.00 C ATOM 472 C ARG A 36 -5.890 -2.521 -6.167 1.00 0.00 C ATOM 473 O ARG A 36 -6.737 -2.666 -5.285 1.00 0.00 O ATOM 474 CB ARG A 36 -7.366 -3.322 -8.021 1.00 0.00 C ATOM 475 CG ARG A 36 -7.955 -1.925 -8.130 1.00 0.00 C ATOM 476 CD ARG A 36 -7.384 -1.170 -9.320 1.00 0.00 C ATOM 477 NE ARG A 36 -8.155 -1.405 -10.538 1.00 0.00 N ATOM 478 CZ ARG A 36 -7.876 -2.367 -11.410 1.00 0.00 C ATOM 479 NH1 ARG A 36 -6.850 -3.180 -11.200 1.00 0.00 N ATOM 480 NH2 ARG A 36 -8.625 -2.518 -12.496 1.00 0.00 N ATOM 0 H ARG A 36 -6.272 -5.344 -6.903 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.262 -2.906 -8.174 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.358 -3.782 -9.009 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.013 -3.932 -7.391 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.039 -1.993 -8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.751 -1.371 -7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.371 -0.103 -9.100 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.350 -1.475 -9.481 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.951 -0.797 -10.729 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.272 -3.068 -10.367 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.638 -3.918 -11.872 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.415 -1.895 -12.661 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.410 -3.257 -13.165 1.00 0.00 H new ATOM 494 N VAL A 37 -4.886 -1.656 -6.069 1.00 0.00 N ATOM 495 CA VAL A 37 -4.718 -0.808 -4.895 1.00 0.00 C ATOM 496 C VAL A 37 -5.391 0.546 -5.095 1.00 0.00 C ATOM 497 O VAL A 37 -4.889 1.398 -5.827 1.00 0.00 O ATOM 498 CB VAL A 37 -3.229 -0.585 -4.571 1.00 0.00 C ATOM 499 CG1 VAL A 37 -3.076 0.284 -3.333 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.520 -1.918 -4.388 1.00 0.00 C ATOM 0 H VAL A 37 -4.176 -1.524 -6.789 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.190 -1.326 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.766 -0.065 -5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.017 0.430 -3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.548 1.251 -3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.553 -0.205 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.469 -1.743 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.983 -2.467 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.600 -2.501 -5.305 1.00 0.00 H new ATOM 510 N SER A 38 -6.531 0.737 -4.437 1.00 0.00 N ATOM 511 CA SER A 38 -7.275 1.986 -4.544 1.00 0.00 C ATOM 512 C SER A 38 -7.253 2.747 -3.222 1.00 0.00 C ATOM 513 O SER A 38 -7.518 2.179 -2.162 1.00 0.00 O ATOM 514 CB SER A 38 -8.721 1.708 -4.962 1.00 0.00 C ATOM 515 OG SER A 38 -9.470 1.175 -3.883 1.00 0.00 O ATOM 0 H SER A 38 -6.959 0.042 -3.825 1.00 0.00 H new ATOM 0 HA SER A 38 -6.796 2.602 -5.305 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.186 2.630 -5.311 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.733 1.009 -5.798 1.00 0.00 H new ATOM 0 HG SER A 38 -10.390 1.007 -4.175 1.00 0.00 H new ATOM 521 N TRP A 39 -6.934 4.034 -3.293 1.00 0.00 N ATOM 522 CA TRP A 39 -6.877 4.874 -2.102 1.00 0.00 C ATOM 523 C TRP A 39 -7.657 6.167 -2.310 1.00 0.00 C ATOM 524 O TRP A 39 -8.231 6.392 -3.375 1.00 0.00 O ATOM 525 CB TRP A 39 -5.424 5.192 -1.747 1.00 0.00 C ATOM 526 CG TRP A 39 -4.685 5.898 -2.843 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.549 7.248 -3.002 1.00 0.00 C ATOM 528 CD2 TRP A 39 -3.983 5.291 -3.933 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.804 7.516 -4.125 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.445 6.332 -4.714 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.756 3.969 -4.325 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.695 6.091 -5.862 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -3.012 3.731 -5.465 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.488 4.787 -6.222 1.00 0.00 C ATOM 0 H TRP A 39 -6.711 4.519 -4.162 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.333 4.325 -1.278 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.404 5.809 -0.849 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.905 4.264 -1.508 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.966 7.995 -2.342 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.558 8.446 -4.465 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.155 3.148 -3.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.291 6.904 -6.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.831 2.713 -5.778 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -1.909 4.568 -7.107 1.00 0.00 H new ATOM 545 N ALA A 40 -7.673 7.015 -1.287 1.00 0.00 N ATOM 546 CA ALA A 40 -8.381 8.287 -1.359 1.00 0.00 C ATOM 547 C ALA A 40 -7.404 9.456 -1.415 1.00 0.00 C ATOM 548 O ALA A 40 -6.229 9.312 -1.078 1.00 0.00 O ATOM 549 CB ALA A 40 -9.320 8.437 -0.171 1.00 0.00 C ATOM 0 H ALA A 40 -7.203 6.844 -0.398 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.970 8.295 -2.276 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.842 9.392 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.047 7.625 -0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.745 8.402 0.754 1.00 0.00 H new ATOM 555 N ASP A 41 -7.898 10.613 -1.842 1.00 0.00 N ATOM 556 CA ASP A 41 -7.068 11.808 -1.942 1.00 0.00 C ATOM 557 C ASP A 41 -7.563 12.894 -0.992 1.00 0.00 C ATOM 558 O ASP A 41 -8.496 13.631 -1.308 1.00 0.00 O ATOM 559 CB ASP A 41 -7.063 12.333 -3.378 1.00 0.00 C ATOM 560 CG ASP A 41 -8.458 12.440 -3.961 1.00 0.00 C ATOM 561 OD1 ASP A 41 -9.202 11.439 -3.904 1.00 0.00 O ATOM 562 OD2 ASP A 41 -8.806 13.524 -4.474 1.00 0.00 O ATOM 0 H ASP A 41 -8.869 10.749 -2.124 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.051 11.538 -1.659 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.587 13.313 -3.402 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.462 11.671 -4.001 1.00 0.00 H new ATOM 753 N ARG A 54 0.648 16.925 -8.941 1.00 0.00 N ATOM 754 CA ARG A 54 0.993 15.957 -7.907 1.00 0.00 C ATOM 755 C ARG A 54 1.100 14.552 -8.491 1.00 0.00 C ATOM 756 O ARG A 54 0.240 14.120 -9.259 1.00 0.00 O ATOM 757 CB ARG A 54 -0.052 15.978 -6.790 1.00 0.00 C ATOM 758 CG ARG A 54 -0.446 17.379 -6.351 1.00 0.00 C ATOM 759 CD ARG A 54 0.434 17.876 -5.215 1.00 0.00 C ATOM 760 NE ARG A 54 -0.057 19.130 -4.650 1.00 0.00 N ATOM 761 CZ ARG A 54 -0.992 19.196 -3.709 1.00 0.00 C ATOM 762 NH1 ARG A 54 -1.534 18.085 -3.229 1.00 0.00 N ATOM 763 NH2 ARG A 54 -1.386 20.375 -3.246 1.00 0.00 N ATOM 0 HA ARG A 54 1.963 16.235 -7.494 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.943 15.448 -7.127 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.337 15.433 -5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.369 18.062 -7.197 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.489 17.382 -6.033 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.478 17.119 -4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.452 18.017 -5.580 1.00 0.00 H new ATOM 0 HE ARG A 54 0.340 20.003 -4.997 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.233 17.177 -3.582 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.252 18.139 -2.506 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.971 21.232 -3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.104 20.425 -2.523 1.00 0.00 H new ATOM 777 N LEU A 55 2.162 13.843 -8.122 1.00 0.00 N ATOM 778 CA LEU A 55 2.382 12.486 -8.609 1.00 0.00 C ATOM 779 C LEU A 55 2.269 11.474 -7.473 1.00 0.00 C ATOM 780 O LEU A 55 2.709 11.732 -6.352 1.00 0.00 O ATOM 781 CB LEU A 55 3.758 12.377 -9.269 1.00 0.00 C ATOM 782 CG LEU A 55 4.344 10.968 -9.372 1.00 0.00 C ATOM 783 CD1 LEU A 55 3.599 10.156 -10.420 1.00 0.00 C ATOM 784 CD2 LEU A 55 5.829 11.030 -9.698 1.00 0.00 C ATOM 0 H LEU A 55 2.883 14.186 -7.488 1.00 0.00 H new ATOM 0 HA LEU A 55 1.612 12.262 -9.348 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.691 12.795 -10.273 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.457 13.000 -8.710 1.00 0.00 H new ATOM 0 HG LEU A 55 4.225 10.474 -8.408 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.030 9.156 -10.480 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.547 10.082 -10.143 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.685 10.647 -11.390 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.229 10.018 -9.767 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.972 11.543 -10.649 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.352 11.574 -8.911 1.00 0.00 H new ATOM 796 N TYR A 56 1.678 10.322 -7.771 1.00 0.00 N ATOM 797 CA TYR A 56 1.507 9.271 -6.774 1.00 0.00 C ATOM 798 C TYR A 56 2.325 8.036 -7.139 1.00 0.00 C ATOM 799 O TYR A 56 2.281 7.560 -8.274 1.00 0.00 O ATOM 800 CB TYR A 56 0.029 8.898 -6.645 1.00 0.00 C ATOM 801 CG TYR A 56 -0.773 9.880 -5.822 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.698 11.246 -6.067 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.606 9.443 -4.799 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.429 12.148 -5.317 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.341 10.337 -4.045 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.249 11.688 -4.308 1.00 0.00 C ATOM 807 OH TYR A 56 -2.979 12.582 -3.558 1.00 0.00 O ATOM 0 H TYR A 56 1.310 10.092 -8.694 1.00 0.00 H new ATOM 0 HA TYR A 56 1.864 9.651 -5.817 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.408 8.829 -7.641 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.050 7.909 -6.194 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.057 11.609 -6.857 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.680 8.386 -4.590 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.358 13.206 -5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.984 9.980 -3.254 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.506 12.095 -2.890 1.00 0.00 H new ATOM 817 N THR A 57 3.071 7.520 -6.168 1.00 0.00 N ATOM 818 CA THR A 57 3.900 6.341 -6.384 1.00 0.00 C ATOM 819 C THR A 57 3.370 5.145 -5.601 1.00 0.00 C ATOM 820 O THR A 57 2.828 5.298 -4.507 1.00 0.00 O ATOM 821 CB THR A 57 5.363 6.600 -5.978 1.00 0.00 C ATOM 822 OG1 THR A 57 5.842 7.794 -6.606 1.00 0.00 O ATOM 823 CG2 THR A 57 6.248 5.425 -6.366 1.00 0.00 C ATOM 0 H THR A 57 3.118 7.901 -5.223 1.00 0.00 H new ATOM 0 HA THR A 57 3.862 6.119 -7.450 1.00 0.00 H new ATOM 0 HB THR A 57 5.401 6.720 -4.895 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.772 7.952 -6.341 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.277 5.631 -6.069 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.898 4.524 -5.862 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.204 5.277 -7.445 1.00 0.00 H new ATOM 831 N VAL A 58 3.532 3.954 -6.168 1.00 0.00 N ATOM 832 CA VAL A 58 3.071 2.731 -5.522 1.00 0.00 C ATOM 833 C VAL A 58 4.209 1.728 -5.368 1.00 0.00 C ATOM 834 O VAL A 58 4.912 1.419 -6.330 1.00 0.00 O ATOM 835 CB VAL A 58 1.926 2.073 -6.315 1.00 0.00 C ATOM 836 CG1 VAL A 58 1.449 0.809 -5.616 1.00 0.00 C ATOM 837 CG2 VAL A 58 0.778 3.053 -6.504 1.00 0.00 C ATOM 0 H VAL A 58 3.979 3.810 -7.073 1.00 0.00 H new ATOM 0 HA VAL A 58 2.704 3.014 -4.536 1.00 0.00 H new ATOM 0 HB VAL A 58 2.302 1.795 -7.299 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.640 0.358 -6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.275 0.103 -5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.089 1.059 -4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.022 2.572 -7.066 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.401 3.364 -5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.132 3.926 -7.052 1.00 0.00 H new ATOM 847 N ARG A 59 4.386 1.224 -4.151 1.00 0.00 N ATOM 848 CA ARG A 59 5.440 0.256 -3.870 1.00 0.00 C ATOM 849 C ARG A 59 4.875 -0.973 -3.165 1.00 0.00 C ATOM 850 O ARG A 59 4.011 -0.860 -2.295 1.00 0.00 O ATOM 851 CB ARG A 59 6.532 0.895 -3.010 1.00 0.00 C ATOM 852 CG ARG A 59 6.235 0.855 -1.520 1.00 0.00 C ATOM 853 CD ARG A 59 7.003 1.932 -0.770 1.00 0.00 C ATOM 854 NE ARG A 59 8.420 1.605 -0.642 1.00 0.00 N ATOM 855 CZ ARG A 59 8.897 0.733 0.239 1.00 0.00 C ATOM 856 NH1 ARG A 59 8.073 0.103 1.065 1.00 0.00 N ATOM 857 NH2 ARG A 59 10.200 0.489 0.295 1.00 0.00 N ATOM 0 H ARG A 59 3.813 1.470 -3.344 1.00 0.00 H new ATOM 0 HA ARG A 59 5.873 -0.059 -4.819 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.476 0.384 -3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.665 1.932 -3.318 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.166 0.989 -1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.498 -0.125 -1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.896 2.883 -1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.570 2.062 0.222 1.00 0.00 H new ATOM 0 HE ARG A 59 9.080 2.072 -1.264 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.071 0.288 1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.441 -0.566 1.741 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.837 0.971 -0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.565 -0.181 0.972 1.00 0.00 H new ATOM 871 N TRP A 60 5.369 -2.146 -3.545 1.00 0.00 N ATOM 872 CA TRP A 60 4.913 -3.397 -2.949 1.00 0.00 C ATOM 873 C TRP A 60 6.041 -4.421 -2.905 1.00 0.00 C ATOM 874 O TRP A 60 6.711 -4.664 -3.908 1.00 0.00 O ATOM 875 CB TRP A 60 3.728 -3.958 -3.736 1.00 0.00 C ATOM 876 CG TRP A 60 4.055 -4.262 -5.167 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.390 -5.478 -5.690 1.00 0.00 C ATOM 878 CD2 TRP A 60 4.080 -3.334 -6.256 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.622 -5.361 -7.039 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.438 -4.056 -7.411 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.833 -1.963 -6.369 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.555 -3.452 -8.660 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.950 -1.364 -7.609 1.00 0.00 C ATOM 884 CH2 TRP A 60 4.308 -2.108 -8.741 1.00 0.00 C ATOM 0 H TRP A 60 6.085 -2.257 -4.263 1.00 0.00 H new ATOM 0 HA TRP A 60 4.596 -3.190 -1.927 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.377 -4.868 -3.250 1.00 0.00 H new ATOM 0 HB3 TRP A 60 2.907 -3.242 -3.703 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.462 -6.396 -5.126 1.00 0.00 H new ATOM 0 HE1 TRP A 60 4.888 -6.123 -7.663 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.555 -1.382 -5.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.831 -4.024 -9.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.762 -0.305 -7.707 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.391 -1.611 -9.696 1.00 0.00 H new ATOM 895 N ARG A 61 6.246 -5.020 -1.736 1.00 0.00 N ATOM 896 CA ARG A 61 7.294 -6.018 -1.561 1.00 0.00 C ATOM 897 C ARG A 61 6.783 -7.207 -0.753 1.00 0.00 C ATOM 898 O ARG A 61 6.002 -7.045 0.185 1.00 0.00 O ATOM 899 CB ARG A 61 8.507 -5.398 -0.866 1.00 0.00 C ATOM 900 CG ARG A 61 9.815 -6.108 -1.175 1.00 0.00 C ATOM 901 CD ARG A 61 10.104 -7.208 -0.166 1.00 0.00 C ATOM 902 NE ARG A 61 10.246 -6.683 1.190 1.00 0.00 N ATOM 903 CZ ARG A 61 10.931 -7.298 2.148 1.00 0.00 C ATOM 904 NH1 ARG A 61 11.534 -8.452 1.900 1.00 0.00 N ATOM 905 NH2 ARG A 61 11.014 -6.757 3.357 1.00 0.00 N ATOM 0 H ARG A 61 5.700 -4.831 -0.896 1.00 0.00 H new ATOM 0 HA ARG A 61 7.592 -6.373 -2.548 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.591 -4.353 -1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.343 -5.409 0.212 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.771 -6.535 -2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.632 -5.386 -1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.298 -7.941 -0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.018 -7.730 -0.450 1.00 0.00 H new ATOM 0 HE ARG A 61 9.795 -5.796 1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.473 -8.870 0.972 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.059 -8.922 2.637 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.552 -5.869 3.551 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.540 -7.230 4.092 1.00 0.00 H new ATOM 919 N THR A 62 7.230 -8.403 -1.123 1.00 0.00 N ATOM 920 CA THR A 62 6.817 -9.620 -0.435 1.00 0.00 C ATOM 921 C THR A 62 6.736 -9.398 1.071 1.00 0.00 C ATOM 922 O THR A 62 7.521 -8.640 1.640 1.00 0.00 O ATOM 923 CB THR A 62 7.787 -10.783 -0.719 1.00 0.00 C ATOM 924 OG1 THR A 62 9.139 -10.348 -0.538 1.00 0.00 O ATOM 925 CG2 THR A 62 7.602 -11.306 -2.136 1.00 0.00 C ATOM 0 H THR A 62 7.878 -8.555 -1.896 1.00 0.00 H new ATOM 0 HA THR A 62 5.829 -9.879 -0.816 1.00 0.00 H new ATOM 0 HB THR A 62 7.569 -11.590 -0.019 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.749 -11.093 -0.719 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.297 -12.127 -2.315 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.580 -11.662 -2.262 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.797 -10.504 -2.848 1.00 0.00 H new ATOM 933 N SER A 63 5.781 -10.066 1.712 1.00 0.00 N ATOM 934 CA SER A 63 5.595 -9.939 3.153 1.00 0.00 C ATOM 935 C SER A 63 6.290 -11.078 3.892 1.00 0.00 C ATOM 936 O SER A 63 6.067 -12.252 3.597 1.00 0.00 O ATOM 937 CB SER A 63 4.105 -9.926 3.497 1.00 0.00 C ATOM 938 OG SER A 63 3.507 -11.181 3.221 1.00 0.00 O ATOM 0 H SER A 63 5.125 -10.700 1.256 1.00 0.00 H new ATOM 0 HA SER A 63 6.042 -8.997 3.471 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.974 -9.681 4.551 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.603 -9.146 2.924 1.00 0.00 H new ATOM 0 HG SER A 63 3.525 -11.347 2.255 1.00 0.00 H new ATOM 1028 N TYR A 70 12.107 -3.869 -3.272 1.00 0.00 N ATOM 1029 CA TYR A 70 10.841 -3.146 -3.287 1.00 0.00 C ATOM 1030 C TYR A 70 10.574 -2.544 -4.663 1.00 0.00 C ATOM 1031 O TYR A 70 11.468 -1.975 -5.290 1.00 0.00 O ATOM 1032 CB TYR A 70 10.847 -2.042 -2.228 1.00 0.00 C ATOM 1033 CG TYR A 70 10.323 -2.492 -0.882 1.00 0.00 C ATOM 1034 CD1 TYR A 70 11.117 -3.236 -0.019 1.00 0.00 C ATOM 1035 CD2 TYR A 70 9.034 -2.171 -0.475 1.00 0.00 C ATOM 1036 CE1 TYR A 70 10.642 -3.649 1.211 1.00 0.00 C ATOM 1037 CE2 TYR A 70 8.551 -2.578 0.754 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.359 -3.318 1.593 1.00 0.00 C ATOM 1039 OH TYR A 70 8.882 -3.726 2.817 1.00 0.00 O ATOM 0 HA TYR A 70 10.045 -3.855 -3.059 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.865 -1.671 -2.107 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.244 -1.206 -2.583 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.123 -3.496 -0.314 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.399 -1.594 -1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.272 -4.228 1.870 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.547 -2.319 1.056 1.00 0.00 H new ATOM 0 HH TYR A 70 7.962 -3.409 2.932 1.00 0.00 H new ATOM 1049 N LYS A 71 9.336 -2.673 -5.128 1.00 0.00 N ATOM 1050 CA LYS A 71 8.948 -2.141 -6.429 1.00 0.00 C ATOM 1051 C LYS A 71 8.410 -0.720 -6.297 1.00 0.00 C ATOM 1052 O LYS A 71 8.021 -0.291 -5.210 1.00 0.00 O ATOM 1053 CB LYS A 71 7.890 -3.039 -7.075 1.00 0.00 C ATOM 1054 CG LYS A 71 7.948 -3.052 -8.593 1.00 0.00 C ATOM 1055 CD LYS A 71 7.437 -4.366 -9.159 1.00 0.00 C ATOM 1056 CE LYS A 71 7.081 -4.238 -10.632 1.00 0.00 C ATOM 1057 NZ LYS A 71 6.519 -5.503 -11.180 1.00 0.00 N ATOM 0 H LYS A 71 8.584 -3.142 -4.623 1.00 0.00 H new ATOM 0 HA LYS A 71 9.834 -2.118 -7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.015 -4.057 -6.706 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.901 -2.705 -6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.353 -2.229 -8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.975 -2.889 -8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.197 -5.137 -9.033 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.560 -4.688 -8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.357 -3.433 -10.762 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.971 -3.961 -11.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.290 -5.374 -12.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.219 -6.266 -11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.656 -5.754 -10.658 1.00 0.00 H new ATOM 1071 N SER A 72 8.390 0.006 -7.410 1.00 0.00 N ATOM 1072 CA SER A 72 7.902 1.381 -7.418 1.00 0.00 C ATOM 1073 C SER A 72 7.412 1.775 -8.808 1.00 0.00 C ATOM 1074 O SER A 72 8.076 1.513 -9.809 1.00 0.00 O ATOM 1075 CB SER A 72 9.006 2.338 -6.963 1.00 0.00 C ATOM 1076 OG SER A 72 10.153 2.221 -7.786 1.00 0.00 O ATOM 0 H SER A 72 8.706 -0.335 -8.318 1.00 0.00 H new ATOM 0 HA SER A 72 7.064 1.448 -6.724 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.637 3.363 -6.991 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.274 2.124 -5.928 1.00 0.00 H new ATOM 0 HG SER A 72 10.843 2.844 -7.476 1.00 0.00 H new ATOM 1082 N GLU A 73 6.243 2.407 -8.859 1.00 0.00 N ATOM 1083 CA GLU A 73 5.663 2.837 -10.125 1.00 0.00 C ATOM 1084 C GLU A 73 5.019 4.214 -9.989 1.00 0.00 C ATOM 1085 O GLU A 73 4.283 4.475 -9.038 1.00 0.00 O ATOM 1086 CB GLU A 73 4.624 1.821 -10.606 1.00 0.00 C ATOM 1087 CG GLU A 73 5.198 0.744 -11.511 1.00 0.00 C ATOM 1088 CD GLU A 73 6.267 -0.084 -10.825 1.00 0.00 C ATOM 1089 OE1 GLU A 73 6.157 -0.299 -9.600 1.00 0.00 O ATOM 1090 OE2 GLU A 73 7.214 -0.518 -11.514 1.00 0.00 O ATOM 0 H GLU A 73 5.680 2.632 -8.039 1.00 0.00 H new ATOM 0 HA GLU A 73 6.465 2.902 -10.860 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.163 1.347 -9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.833 2.348 -11.139 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.394 0.088 -11.845 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.620 1.210 -12.402 1.00 0.00 H new ATOM 1097 N ASP A 74 5.303 5.090 -10.947 1.00 0.00 N ATOM 1098 CA ASP A 74 4.752 6.440 -10.935 1.00 0.00 C ATOM 1099 C ASP A 74 3.409 6.485 -11.658 1.00 0.00 C ATOM 1100 O ASP A 74 3.315 6.146 -12.839 1.00 0.00 O ATOM 1101 CB ASP A 74 5.730 7.418 -11.588 1.00 0.00 C ATOM 1102 CG ASP A 74 5.740 7.305 -13.099 1.00 0.00 C ATOM 1103 OD1 ASP A 74 5.799 6.166 -13.609 1.00 0.00 O ATOM 1104 OD2 ASP A 74 5.689 8.355 -13.773 1.00 0.00 O ATOM 0 H ASP A 74 5.911 4.889 -11.741 1.00 0.00 H new ATOM 0 HA ASP A 74 4.595 6.733 -9.897 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.464 8.436 -11.305 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.734 7.233 -11.206 1.00 0.00 H new ATOM 1109 N THR A 75 2.371 6.906 -10.943 1.00 0.00 N ATOM 1110 CA THR A 75 1.034 6.994 -11.515 1.00 0.00 C ATOM 1111 C THR A 75 0.265 8.176 -10.936 1.00 0.00 C ATOM 1112 O THR A 75 0.414 8.513 -9.760 1.00 0.00 O ATOM 1113 CB THR A 75 0.231 5.703 -11.267 1.00 0.00 C ATOM 1114 OG1 THR A 75 -0.896 5.650 -12.149 1.00 0.00 O ATOM 1115 CG2 THR A 75 -0.244 5.630 -9.824 1.00 0.00 C ATOM 0 H THR A 75 2.431 7.192 -9.966 1.00 0.00 H new ATOM 0 HA THR A 75 1.158 7.136 -12.589 1.00 0.00 H new ATOM 0 HB THR A 75 0.884 4.852 -11.461 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.400 4.826 -11.986 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.809 4.710 -9.673 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.618 5.641 -9.156 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.882 6.487 -9.607 1.00 0.00 H new ATOM 1123 N THR A 76 -0.561 8.804 -11.767 1.00 0.00 N ATOM 1124 CA THR A 76 -1.353 9.949 -11.338 1.00 0.00 C ATOM 1125 C THR A 76 -2.712 9.509 -10.805 1.00 0.00 C ATOM 1126 O THR A 76 -3.279 10.148 -9.919 1.00 0.00 O ATOM 1127 CB THR A 76 -1.566 10.949 -12.490 1.00 0.00 C ATOM 1128 OG1 THR A 76 -2.273 10.317 -13.563 1.00 0.00 O ATOM 1129 CG2 THR A 76 -0.234 11.481 -12.998 1.00 0.00 C ATOM 0 H THR A 76 -0.699 8.538 -12.742 1.00 0.00 H new ATOM 0 HA THR A 76 -0.794 10.438 -10.541 1.00 0.00 H new ATOM 0 HB THR A 76 -2.153 11.786 -12.111 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.406 10.960 -14.291 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.410 12.185 -13.811 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.289 11.987 -12.186 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.374 10.652 -13.361 1.00 0.00 H new ATOM 1137 N SER A 77 -3.229 8.412 -11.351 1.00 0.00 N ATOM 1138 CA SER A 77 -4.524 7.888 -10.932 1.00 0.00 C ATOM 1139 C SER A 77 -4.476 7.417 -9.481 1.00 0.00 C ATOM 1140 O SER A 77 -3.413 7.074 -8.962 1.00 0.00 O ATOM 1141 CB SER A 77 -4.948 6.733 -11.841 1.00 0.00 C ATOM 1142 OG SER A 77 -5.201 7.187 -13.159 1.00 0.00 O ATOM 0 H SER A 77 -2.771 7.870 -12.084 1.00 0.00 H new ATOM 0 HA SER A 77 -5.256 8.691 -11.011 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.166 5.974 -11.858 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.843 6.259 -11.438 1.00 0.00 H new ATOM 0 HG SER A 77 -5.469 6.429 -13.720 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.635 7.405 -8.832 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.727 6.976 -7.440 1.00 0.00 C ATOM 1150 C LEU A 78 -5.945 5.470 -7.348 1.00 0.00 C ATOM 1151 O LEU A 78 -6.587 4.981 -6.418 1.00 0.00 O ATOM 1152 CB LEU A 78 -6.868 7.712 -6.735 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.738 9.234 -6.657 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -8.083 9.869 -6.341 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -5.702 9.629 -5.615 1.00 0.00 C ATOM 0 H LEU A 78 -6.523 7.687 -9.246 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.786 7.219 -6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.800 7.473 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.953 7.322 -5.721 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.405 9.601 -7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.971 10.952 -6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.798 9.615 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.446 9.496 -5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.623 10.715 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -6.005 9.250 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.735 9.205 -5.885 1.00 0.00 H new ATOM 1167 N SER A 79 -5.404 4.738 -8.317 1.00 0.00 N ATOM 1168 CA SER A 79 -5.540 3.286 -8.345 1.00 0.00 C ATOM 1169 C SER A 79 -4.480 2.659 -9.245 1.00 0.00 C ATOM 1170 O SER A 79 -4.300 3.069 -10.392 1.00 0.00 O ATOM 1171 CB SER A 79 -6.936 2.894 -8.833 1.00 0.00 C ATOM 1172 OG SER A 79 -7.227 3.493 -10.083 1.00 0.00 O ATOM 0 H SER A 79 -4.868 5.126 -9.093 1.00 0.00 H new ATOM 0 HA SER A 79 -5.398 2.912 -7.331 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.002 1.810 -8.922 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.681 3.200 -8.098 1.00 0.00 H new ATOM 0 HG SER A 79 -6.407 3.552 -10.616 1.00 0.00 H new ATOM 1178 N TYR A 80 -3.780 1.661 -8.716 1.00 0.00 N ATOM 1179 CA TYR A 80 -2.735 0.978 -9.469 1.00 0.00 C ATOM 1180 C TYR A 80 -2.951 -0.533 -9.451 1.00 0.00 C ATOM 1181 O TYR A 80 -3.405 -1.096 -8.455 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.359 1.314 -8.893 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.225 0.562 -9.553 1.00 0.00 C ATOM 1184 CD1 TYR A 80 0.118 -0.719 -9.139 1.00 0.00 C ATOM 1185 CD2 TYR A 80 0.502 1.132 -10.590 1.00 0.00 C ATOM 1186 CE1 TYR A 80 1.153 -1.410 -9.739 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.538 0.448 -11.197 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.860 -0.822 -10.767 1.00 0.00 C ATOM 1189 OH TYR A 80 2.891 -1.508 -11.368 1.00 0.00 O ATOM 0 H TYR A 80 -3.917 1.307 -7.769 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.783 1.322 -10.502 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.183 2.385 -8.997 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.358 1.093 -7.826 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.434 -1.182 -8.335 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.253 2.127 -10.928 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.407 -2.405 -9.405 1.00 0.00 H new ATOM 0 HE2 TYR A 80 2.092 0.905 -12.003 1.00 0.00 H new ATOM 0 HH TYR A 80 3.262 -2.159 -10.737 1.00 0.00 H new ATOM 1199 N THR A 81 -2.620 -1.184 -10.562 1.00 0.00 N ATOM 1200 CA THR A 81 -2.777 -2.628 -10.676 1.00 0.00 C ATOM 1201 C THR A 81 -1.424 -3.331 -10.672 1.00 0.00 C ATOM 1202 O THR A 81 -0.628 -3.170 -11.596 1.00 0.00 O ATOM 1203 CB THR A 81 -3.536 -3.011 -11.961 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.688 -2.174 -12.117 1.00 0.00 O ATOM 1205 CG2 THR A 81 -3.965 -4.470 -11.922 1.00 0.00 C ATOM 0 H THR A 81 -2.242 -0.734 -11.395 1.00 0.00 H new ATOM 0 HA THR A 81 -3.355 -2.952 -9.810 1.00 0.00 H new ATOM 0 HB THR A 81 -2.866 -2.869 -12.809 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.224 -2.493 -12.873 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.499 -4.717 -12.840 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.084 -5.106 -11.832 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.620 -4.634 -11.066 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.170 -4.110 -9.625 1.00 0.00 N ATOM 1214 CA ALA A 82 0.086 -4.839 -9.502 1.00 0.00 C ATOM 1215 C ALA A 82 0.012 -6.184 -10.216 1.00 0.00 C ATOM 1216 O ALA A 82 -0.473 -7.169 -9.659 1.00 0.00 O ATOM 1217 CB ALA A 82 0.440 -5.036 -8.036 1.00 0.00 C ATOM 0 H ALA A 82 -1.818 -4.252 -8.850 1.00 0.00 H new ATOM 0 HA ALA A 82 0.869 -4.248 -9.977 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.380 -5.582 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.544 -4.064 -7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.350 -5.603 -7.544 1.00 0.00 H new ATOM 1223 N THR A 83 0.496 -6.219 -11.454 1.00 0.00 N ATOM 1224 CA THR A 83 0.483 -7.443 -12.245 1.00 0.00 C ATOM 1225 C THR A 83 1.815 -8.177 -12.144 1.00 0.00 C ATOM 1226 O THR A 83 2.862 -7.560 -11.950 1.00 0.00 O ATOM 1227 CB THR A 83 0.181 -7.151 -13.727 1.00 0.00 C ATOM 1228 OG1 THR A 83 1.164 -6.256 -14.260 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.204 -6.545 -13.888 1.00 0.00 C ATOM 0 H THR A 83 0.902 -5.413 -11.930 1.00 0.00 H new ATOM 0 HA THR A 83 -0.308 -8.074 -11.839 1.00 0.00 H new ATOM 0 HB THR A 83 0.213 -8.093 -14.274 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.966 -6.077 -15.203 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.394 -6.348 -14.943 1.00 0.00 H new ATOM 0 HG22 THR A 83 -1.952 -7.241 -13.508 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.260 -5.611 -13.328 1.00 0.00 H new ATOM 1237 N GLY A 84 1.769 -9.499 -12.278 1.00 0.00 N ATOM 1238 CA GLY A 84 2.980 -10.295 -12.199 1.00 0.00 C ATOM 1239 C GLY A 84 3.419 -10.543 -10.770 1.00 0.00 C ATOM 1240 O GLY A 84 4.583 -10.332 -10.425 1.00 0.00 O ATOM 0 H GLY A 84 0.915 -10.033 -12.440 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.816 -11.251 -12.696 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.780 -9.788 -12.739 1.00 0.00 H new ATOM 1244 N LEU A 85 2.488 -10.990 -9.936 1.00 0.00 N ATOM 1245 CA LEU A 85 2.784 -11.265 -8.534 1.00 0.00 C ATOM 1246 C LEU A 85 2.752 -12.765 -8.255 1.00 0.00 C ATOM 1247 O LEU A 85 2.369 -13.559 -9.114 1.00 0.00 O ATOM 1248 CB LEU A 85 1.783 -10.545 -7.629 1.00 0.00 C ATOM 1249 CG LEU A 85 1.405 -9.123 -8.046 1.00 0.00 C ATOM 1250 CD1 LEU A 85 0.106 -8.699 -7.378 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.525 -8.151 -7.704 1.00 0.00 C ATOM 0 H LEU A 85 1.521 -11.170 -10.206 1.00 0.00 H new ATOM 0 HA LEU A 85 3.787 -10.895 -8.321 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.873 -11.142 -7.580 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.195 -10.509 -6.621 1.00 0.00 H new ATOM 0 HG LEU A 85 1.256 -9.109 -9.126 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.147 -7.685 -7.686 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.694 -9.378 -7.673 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.227 -8.730 -6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.238 -7.144 -8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.706 -8.168 -6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.434 -8.444 -8.230 1.00 0.00 H new ATOM 1263 N LYS A 86 3.153 -13.145 -7.046 1.00 0.00 N ATOM 1264 CA LYS A 86 3.167 -14.548 -6.651 1.00 0.00 C ATOM 1265 C LYS A 86 1.827 -14.957 -6.048 1.00 0.00 C ATOM 1266 O LYS A 86 1.240 -14.241 -5.236 1.00 0.00 O ATOM 1267 CB LYS A 86 4.291 -14.804 -5.644 1.00 0.00 C ATOM 1268 CG LYS A 86 4.699 -16.264 -5.546 1.00 0.00 C ATOM 1269 CD LYS A 86 6.006 -16.428 -4.789 1.00 0.00 C ATOM 1270 CE LYS A 86 5.767 -16.609 -3.297 1.00 0.00 C ATOM 1271 NZ LYS A 86 6.894 -17.325 -2.638 1.00 0.00 N ATOM 0 H LYS A 86 3.473 -12.500 -6.323 1.00 0.00 H new ATOM 0 HA LYS A 86 3.342 -15.149 -7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.161 -14.210 -5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.972 -14.458 -4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.914 -16.829 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 86 4.803 -16.682 -6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.548 -17.290 -5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.636 -15.554 -4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.634 -15.633 -2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.843 -17.166 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.693 -17.428 -1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.005 -18.266 -3.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.772 -16.781 -2.764 1.00 0.00 H new ATOM 1285 N PRO A 87 1.330 -16.136 -6.452 1.00 0.00 N ATOM 1286 CA PRO A 87 0.055 -16.667 -5.962 1.00 0.00 C ATOM 1287 C PRO A 87 0.125 -17.087 -4.498 1.00 0.00 C ATOM 1288 O PRO A 87 1.196 -17.415 -3.988 1.00 0.00 O ATOM 1289 CB PRO A 87 -0.189 -17.885 -6.857 1.00 0.00 C ATOM 1290 CG PRO A 87 1.168 -18.304 -7.304 1.00 0.00 C ATOM 1291 CD PRO A 87 1.976 -17.041 -7.417 1.00 0.00 C ATOM 0 HA PRO A 87 -0.740 -15.922 -6.005 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.690 -18.684 -6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.825 -17.632 -7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.619 -18.993 -6.589 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.120 -18.824 -8.261 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.024 -17.211 -7.170 1.00 0.00 H new ATOM 0 HD3 PRO A 87 1.949 -16.636 -8.428 1.00 0.00 H new ATOM 1299 N ASN A 88 -1.022 -17.075 -3.828 1.00 0.00 N ATOM 1300 CA ASN A 88 -1.090 -17.455 -2.421 1.00 0.00 C ATOM 1301 C ASN A 88 -0.013 -16.738 -1.612 1.00 0.00 C ATOM 1302 O ASN A 88 0.501 -17.273 -0.629 1.00 0.00 O ATOM 1303 CB ASN A 88 -0.931 -18.970 -2.273 1.00 0.00 C ATOM 1304 CG ASN A 88 0.476 -19.438 -2.588 1.00 0.00 C ATOM 1305 OD1 ASN A 88 0.654 -20.024 -3.766 1.00 0.00 O flip ATOM 1306 ND2 ASN A 88 1.392 -19.274 -1.782 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.917 -16.806 -4.236 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.066 -17.159 -2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.188 -19.262 -1.255 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.635 -19.473 -2.936 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.209 -18.818 -0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.334 -19.594 -2.008 1.00 0.00 H new ATOM 1313 N THR A 89 0.324 -15.523 -2.031 1.00 0.00 N ATOM 1314 CA THR A 89 1.339 -14.732 -1.347 1.00 0.00 C ATOM 1315 C THR A 89 0.886 -13.287 -1.173 1.00 0.00 C ATOM 1316 O THR A 89 0.486 -12.632 -2.136 1.00 0.00 O ATOM 1317 CB THR A 89 2.676 -14.751 -2.111 1.00 0.00 C ATOM 1318 OG1 THR A 89 2.963 -16.078 -2.564 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.811 -14.254 -1.229 1.00 0.00 C ATOM 0 H THR A 89 -0.092 -15.065 -2.842 1.00 0.00 H new ATOM 0 HA THR A 89 1.484 -15.185 -0.366 1.00 0.00 H new ATOM 0 HB THR A 89 2.587 -14.086 -2.970 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.322 -16.332 -3.261 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.745 -14.277 -1.791 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.604 -13.232 -0.911 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.899 -14.896 -0.353 1.00 0.00 H new ATOM 1327 N MET A 90 0.952 -12.795 0.060 1.00 0.00 N ATOM 1328 CA MET A 90 0.549 -11.425 0.358 1.00 0.00 C ATOM 1329 C MET A 90 1.769 -10.522 0.514 1.00 0.00 C ATOM 1330 O MET A 90 2.853 -10.983 0.872 1.00 0.00 O ATOM 1331 CB MET A 90 -0.296 -11.385 1.632 1.00 0.00 C ATOM 1332 CG MET A 90 -0.711 -9.981 2.043 1.00 0.00 C ATOM 1333 SD MET A 90 -1.732 -9.966 3.528 1.00 0.00 S ATOM 1334 CE MET A 90 -0.540 -10.475 4.764 1.00 0.00 C ATOM 0 H MET A 90 1.280 -13.324 0.868 1.00 0.00 H new ATOM 0 HA MET A 90 -0.048 -11.058 -0.477 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.190 -11.991 1.484 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.267 -11.841 2.446 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.181 -9.378 2.214 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.260 -9.514 1.225 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.933 -10.261 5.758 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.353 -11.545 4.670 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.392 -9.929 4.617 1.00 0.00 H new ATOM 1344 N TYR A 91 1.585 -9.235 0.243 1.00 0.00 N ATOM 1345 CA TYR A 91 2.671 -8.268 0.351 1.00 0.00 C ATOM 1346 C TYR A 91 2.184 -6.971 0.989 1.00 0.00 C ATOM 1347 O TYR A 91 0.998 -6.815 1.276 1.00 0.00 O ATOM 1348 CB TYR A 91 3.264 -7.980 -1.029 1.00 0.00 C ATOM 1349 CG TYR A 91 2.935 -9.034 -2.062 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.389 -10.339 -1.919 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.172 -8.724 -3.181 1.00 0.00 C ATOM 1352 CE1 TYR A 91 3.091 -11.306 -2.861 1.00 0.00 C ATOM 1353 CE2 TYR A 91 1.869 -9.684 -4.127 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.331 -10.973 -3.962 1.00 0.00 C ATOM 1355 OH TYR A 91 2.032 -11.932 -4.903 1.00 0.00 O ATOM 0 H TYR A 91 0.694 -8.837 -0.053 1.00 0.00 H new ATOM 0 HA TYR A 91 3.444 -8.697 0.989 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.898 -7.015 -1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.347 -7.897 -0.939 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.985 -10.603 -1.058 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.810 -7.715 -3.313 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.451 -12.316 -2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.274 -9.427 -4.991 1.00 0.00 H new ATOM 0 HH TYR A 91 1.514 -12.651 -4.484 1.00 0.00 H new ATOM 1365 N GLU A 92 3.110 -6.043 1.208 1.00 0.00 N ATOM 1366 CA GLU A 92 2.776 -4.758 1.812 1.00 0.00 C ATOM 1367 C GLU A 92 2.671 -3.668 0.750 1.00 0.00 C ATOM 1368 O GLU A 92 3.602 -3.450 -0.026 1.00 0.00 O ATOM 1369 CB GLU A 92 3.827 -4.371 2.855 1.00 0.00 C ATOM 1370 CG GLU A 92 4.034 -2.871 2.983 1.00 0.00 C ATOM 1371 CD GLU A 92 4.791 -2.492 4.240 1.00 0.00 C ATOM 1372 OE1 GLU A 92 4.452 -3.022 5.319 1.00 0.00 O ATOM 1373 OE2 GLU A 92 5.723 -1.666 4.146 1.00 0.00 O ATOM 0 H GLU A 92 4.097 -6.157 0.976 1.00 0.00 H new ATOM 0 HA GLU A 92 1.808 -4.857 2.302 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.530 -4.772 3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.776 -4.839 2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.579 -2.508 2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.064 -2.373 2.983 1.00 0.00 H new ATOM 1380 N PHE A 93 1.531 -2.986 0.721 1.00 0.00 N ATOM 1381 CA PHE A 93 1.303 -1.919 -0.246 1.00 0.00 C ATOM 1382 C PHE A 93 1.250 -0.560 0.445 1.00 0.00 C ATOM 1383 O PHE A 93 0.801 -0.449 1.586 1.00 0.00 O ATOM 1384 CB PHE A 93 0.001 -2.166 -1.012 1.00 0.00 C ATOM 1385 CG PHE A 93 0.008 -3.437 -1.812 1.00 0.00 C ATOM 1386 CD1 PHE A 93 -0.122 -4.666 -1.184 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.144 -3.404 -3.190 1.00 0.00 C ATOM 1388 CE1 PHE A 93 -0.115 -5.837 -1.918 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.151 -4.572 -3.929 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.020 -5.790 -3.292 1.00 0.00 C ATOM 0 H PHE A 93 0.751 -3.153 1.356 1.00 0.00 H new ATOM 0 HA PHE A 93 2.136 -1.916 -0.949 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.827 -2.196 -0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.182 -1.326 -1.682 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.230 -4.709 -0.110 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.246 -2.454 -3.693 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.215 -6.789 -1.417 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.259 -4.532 -5.003 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.023 -6.704 -3.867 1.00 0.00 H new ATOM 1400 N SER A 94 1.711 0.472 -0.254 1.00 0.00 N ATOM 1401 CA SER A 94 1.720 1.824 0.293 1.00 0.00 C ATOM 1402 C SER A 94 1.677 2.862 -0.823 1.00 0.00 C ATOM 1403 O SER A 94 2.153 2.619 -1.932 1.00 0.00 O ATOM 1404 CB SER A 94 2.965 2.038 1.156 1.00 0.00 C ATOM 1405 OG SER A 94 2.718 2.985 2.181 1.00 0.00 O ATOM 0 H SER A 94 2.083 0.398 -1.201 1.00 0.00 H new ATOM 0 HA SER A 94 0.831 1.945 0.912 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.272 1.090 1.598 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.790 2.380 0.531 1.00 0.00 H new ATOM 0 HG SER A 94 2.018 2.647 2.777 1.00 0.00 H new ATOM 1411 N VAL A 95 1.101 4.022 -0.522 1.00 0.00 N ATOM 1412 CA VAL A 95 0.995 5.099 -1.499 1.00 0.00 C ATOM 1413 C VAL A 95 1.587 6.394 -0.955 1.00 0.00 C ATOM 1414 O VAL A 95 1.481 6.685 0.236 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.470 5.348 -1.903 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.549 6.385 -3.013 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.133 4.047 -2.330 1.00 0.00 C ATOM 0 H VAL A 95 0.701 4.240 0.391 1.00 0.00 H new ATOM 0 HA VAL A 95 1.558 4.786 -2.378 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.007 5.736 -1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.592 6.548 -3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.114 7.322 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.002 6.029 -3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.168 4.241 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.597 3.628 -3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.110 3.338 -1.502 1.00 0.00 H new ATOM 1427 N MET A 96 2.212 7.169 -1.836 1.00 0.00 N ATOM 1428 CA MET A 96 2.821 8.435 -1.444 1.00 0.00 C ATOM 1429 C MET A 96 2.634 9.488 -2.532 1.00 0.00 C ATOM 1430 O MET A 96 2.001 9.231 -3.556 1.00 0.00 O ATOM 1431 CB MET A 96 4.311 8.241 -1.156 1.00 0.00 C ATOM 1432 CG MET A 96 5.101 7.736 -2.352 1.00 0.00 C ATOM 1433 SD MET A 96 6.882 7.895 -2.125 1.00 0.00 S ATOM 1434 CE MET A 96 7.075 9.674 -2.200 1.00 0.00 C ATOM 0 H MET A 96 2.310 6.942 -2.826 1.00 0.00 H new ATOM 0 HA MET A 96 2.326 8.783 -0.538 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.735 9.189 -0.825 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.425 7.536 -0.332 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.853 6.690 -2.530 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.801 8.291 -3.241 1.00 0.00 H new ATOM 0 HE1 MET A 96 7.878 9.981 -1.530 1.00 0.00 H new ATOM 0 HE2 MET A 96 7.319 9.971 -3.220 1.00 0.00 H new ATOM 0 HE3 MET A 96 6.145 10.154 -1.895 1.00 0.00 H new ATOM 1444 N VAL A 97 3.188 10.674 -2.302 1.00 0.00 N ATOM 1445 CA VAL A 97 3.083 11.766 -3.263 1.00 0.00 C ATOM 1446 C VAL A 97 4.415 12.488 -3.422 1.00 0.00 C ATOM 1447 O VAL A 97 5.146 12.689 -2.451 1.00 0.00 O ATOM 1448 CB VAL A 97 2.006 12.783 -2.841 1.00 0.00 C ATOM 1449 CG1 VAL A 97 2.222 13.222 -1.401 1.00 0.00 C ATOM 1450 CG2 VAL A 97 2.010 13.981 -3.778 1.00 0.00 C ATOM 0 H VAL A 97 3.714 10.903 -1.459 1.00 0.00 H new ATOM 0 HA VAL A 97 2.798 11.322 -4.217 1.00 0.00 H new ATOM 0 HB VAL A 97 1.030 12.302 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.452 13.940 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.166 12.354 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.203 13.686 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.243 14.690 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.986 14.465 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.804 13.648 -4.795 1.00 0.00 H new ATOM 1460 N THR A 98 4.728 12.878 -4.654 1.00 0.00 N ATOM 1461 CA THR A 98 5.973 13.579 -4.941 1.00 0.00 C ATOM 1462 C THR A 98 5.717 14.852 -5.739 1.00 0.00 C ATOM 1463 O THR A 98 5.609 14.817 -6.965 1.00 0.00 O ATOM 1464 CB THR A 98 6.953 12.684 -5.724 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.241 11.499 -4.973 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.246 13.429 -6.021 1.00 0.00 C ATOM 0 H THR A 98 4.136 12.720 -5.469 1.00 0.00 H new ATOM 0 HA THR A 98 6.417 13.840 -3.980 1.00 0.00 H new ATOM 0 HB THR A 98 6.485 12.410 -6.669 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.863 10.935 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.922 12.778 -6.574 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.027 14.315 -6.617 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.716 13.729 -5.085 1.00 0.00 H new ATOM 1474 N LYS A 99 5.621 15.975 -5.037 1.00 0.00 N ATOM 1475 CA LYS A 99 5.379 17.262 -5.680 1.00 0.00 C ATOM 1476 C LYS A 99 6.439 18.281 -5.274 1.00 0.00 C ATOM 1477 O LYS A 99 7.024 18.185 -4.196 1.00 0.00 O ATOM 1478 CB LYS A 99 3.988 17.784 -5.315 1.00 0.00 C ATOM 1479 CG LYS A 99 3.819 19.276 -5.544 1.00 0.00 C ATOM 1480 CD LYS A 99 4.176 20.075 -4.302 1.00 0.00 C ATOM 1481 CE LYS A 99 2.960 20.305 -3.418 1.00 0.00 C ATOM 1482 NZ LYS A 99 3.332 20.906 -2.108 1.00 0.00 N ATOM 0 H LYS A 99 5.707 16.021 -4.022 1.00 0.00 H new ATOM 0 HA LYS A 99 5.434 17.117 -6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.242 17.248 -5.902 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.789 17.561 -4.267 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.451 19.591 -6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.788 19.487 -5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.943 19.547 -3.736 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.601 21.035 -4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.257 20.960 -3.932 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.448 19.357 -3.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.483 21.294 -1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.751 20.176 -1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.023 21.669 -2.260 1.00 0.00 H new ATOM 1496 N ASN A 100 6.680 19.256 -6.144 1.00 0.00 N ATOM 1497 CA ASN A 100 7.668 20.294 -5.874 1.00 0.00 C ATOM 1498 C ASN A 100 9.081 19.717 -5.888 1.00 0.00 C ATOM 1499 O ASN A 100 9.929 20.104 -5.084 1.00 0.00 O ATOM 1500 CB ASN A 100 7.389 20.955 -4.523 1.00 0.00 C ATOM 1501 CG ASN A 100 6.599 22.242 -4.661 1.00 0.00 C ATOM 1502 OD1 ASN A 100 6.345 22.712 -5.771 1.00 0.00 O ATOM 1503 ND2 ASN A 100 6.207 22.820 -3.532 1.00 0.00 N ATOM 0 H ASN A 100 6.205 19.349 -7.042 1.00 0.00 H new ATOM 0 HA ASN A 100 7.593 21.045 -6.660 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.839 20.260 -3.889 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.334 21.164 -4.022 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.673 23.689 -3.562 1.00 0.00 H new ATOM 0 HD22 ASN A 100 6.440 22.396 -2.634 1.00 0.00 H new ATOM 1510 N ARG A 101 9.325 18.789 -6.808 1.00 0.00 N ATOM 1511 CA ARG A 101 10.634 18.158 -6.927 1.00 0.00 C ATOM 1512 C ARG A 101 11.072 17.559 -5.593 1.00 0.00 C ATOM 1513 O ARG A 101 12.245 17.628 -5.226 1.00 0.00 O ATOM 1514 CB ARG A 101 11.672 19.173 -7.407 1.00 0.00 C ATOM 1515 CG ARG A 101 11.328 19.811 -8.743 1.00 0.00 C ATOM 1516 CD ARG A 101 12.336 20.882 -9.126 1.00 0.00 C ATOM 1517 NE ARG A 101 12.384 21.964 -8.146 1.00 0.00 N ATOM 1518 CZ ARG A 101 12.814 23.190 -8.425 1.00 0.00 C ATOM 1519 NH1 ARG A 101 13.231 23.488 -9.648 1.00 0.00 N ATOM 1520 NH2 ARG A 101 12.828 24.120 -7.479 1.00 0.00 N ATOM 0 H ARG A 101 8.634 18.458 -7.481 1.00 0.00 H new ATOM 0 HA ARG A 101 10.556 17.354 -7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 101 11.776 19.956 -6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 101 12.640 18.679 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 101 11.299 19.044 -9.517 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.331 20.250 -8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 101 13.325 20.433 -9.219 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.078 21.289 -10.104 1.00 0.00 H new ATOM 0 HE ARG A 101 12.070 21.768 -7.195 1.00 0.00 H new ATOM 0 HH11 ARG A 101 13.222 22.775 -10.378 1.00 0.00 H new ATOM 0 HH12 ARG A 101 13.560 24.430 -9.859 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.509 23.894 -6.537 1.00 0.00 H new ATOM 0 HH22 ARG A 101 13.158 25.061 -7.694 1.00 0.00 H new ATOM 1534 N ARG A 102 10.121 16.972 -4.874 1.00 0.00 N ATOM 1535 CA ARG A 102 10.408 16.362 -3.581 1.00 0.00 C ATOM 1536 C ARG A 102 9.404 15.257 -3.266 1.00 0.00 C ATOM 1537 O ARG A 102 8.217 15.379 -3.568 1.00 0.00 O ATOM 1538 CB ARG A 102 10.381 17.421 -2.477 1.00 0.00 C ATOM 1539 CG ARG A 102 8.977 17.825 -2.055 1.00 0.00 C ATOM 1540 CD ARG A 102 8.967 18.429 -0.660 1.00 0.00 C ATOM 1541 NE ARG A 102 9.187 19.872 -0.686 1.00 0.00 N ATOM 1542 CZ ARG A 102 10.391 20.431 -0.736 1.00 0.00 C ATOM 1543 NH1 ARG A 102 11.477 19.672 -0.765 1.00 0.00 N ATOM 1544 NH2 ARG A 102 10.510 21.753 -0.758 1.00 0.00 N ATOM 0 H ARG A 102 9.146 16.906 -5.165 1.00 0.00 H new ATOM 0 HA ARG A 102 11.404 15.921 -3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.918 17.041 -1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.917 18.306 -2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.575 18.545 -2.767 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.323 16.953 -2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.012 18.217 -0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 102 9.740 17.955 -0.055 1.00 0.00 H new ATOM 0 HE ARG A 102 8.372 20.484 -0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 102 11.390 18.656 -0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 102 12.400 20.104 -0.803 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.676 22.341 -0.736 1.00 0.00 H new ATOM 0 HH22 ARG A 102 11.435 22.181 -0.796 1.00 0.00 H new ATOM 1558 N SER A 103 9.890 14.180 -2.657 1.00 0.00 N ATOM 1559 CA SER A 103 9.036 13.051 -2.305 1.00 0.00 C ATOM 1560 C SER A 103 8.674 13.086 -0.823 1.00 0.00 C ATOM 1561 O SER A 103 9.485 13.478 0.016 1.00 0.00 O ATOM 1562 CB SER A 103 9.735 11.732 -2.640 1.00 0.00 C ATOM 1563 OG SER A 103 10.502 11.268 -1.543 1.00 0.00 O ATOM 0 H SER A 103 10.870 14.065 -2.397 1.00 0.00 H new ATOM 0 HA SER A 103 8.118 13.125 -2.888 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.992 10.982 -2.911 1.00 0.00 H new ATOM 0 HB3 SER A 103 10.381 11.869 -3.507 1.00 0.00 H new ATOM 0 HG SER A 103 10.937 10.423 -1.782 1.00 0.00 H new ATOM 1569 N SER A 104 7.451 12.671 -0.509 1.00 0.00 N ATOM 1570 CA SER A 104 6.979 12.658 0.870 1.00 0.00 C ATOM 1571 C SER A 104 6.982 11.239 1.431 1.00 0.00 C ATOM 1572 O SER A 104 7.448 10.302 0.782 1.00 0.00 O ATOM 1573 CB SER A 104 5.570 13.249 0.955 1.00 0.00 C ATOM 1574 OG SER A 104 4.598 12.317 0.512 1.00 0.00 O ATOM 0 H SER A 104 6.769 12.339 -1.191 1.00 0.00 H new ATOM 0 HA SER A 104 7.658 13.268 1.466 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.356 13.541 1.983 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.514 14.153 0.349 1.00 0.00 H new ATOM 0 HG SER A 104 4.604 12.278 -0.467 1.00 0.00 H new ATOM 1580 N THR A 105 6.458 11.088 2.644 1.00 0.00 N ATOM 1581 CA THR A 105 6.401 9.785 3.295 1.00 0.00 C ATOM 1582 C THR A 105 5.284 8.928 2.712 1.00 0.00 C ATOM 1583 O THR A 105 4.381 9.437 2.048 1.00 0.00 O ATOM 1584 CB THR A 105 6.187 9.925 4.814 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.346 8.652 5.450 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.803 10.480 5.117 1.00 0.00 C ATOM 0 H THR A 105 6.067 11.852 3.195 1.00 0.00 H new ATOM 0 HA THR A 105 7.360 9.299 3.114 1.00 0.00 H new ATOM 0 HB THR A 105 6.932 10.620 5.201 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.210 8.750 6.416 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.675 10.570 6.196 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.696 11.462 4.656 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.045 9.806 4.717 1.00 0.00 H new ATOM 1594 N TRP A 106 5.350 7.626 2.966 1.00 0.00 N ATOM 1595 CA TRP A 106 4.341 6.698 2.467 1.00 0.00 C ATOM 1596 C TRP A 106 3.192 6.558 3.458 1.00 0.00 C ATOM 1597 O TRP A 106 3.402 6.570 4.671 1.00 0.00 O ATOM 1598 CB TRP A 106 4.968 5.329 2.196 1.00 0.00 C ATOM 1599 CG TRP A 106 6.033 5.362 1.142 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.342 5.714 1.311 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.880 5.031 -0.242 1.00 0.00 C ATOM 1602 NE1 TRP A 106 8.011 5.623 0.114 1.00 0.00 N ATOM 1603 CE2 TRP A 106 7.137 5.204 -0.854 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.804 4.602 -1.024 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 7.344 4.965 -2.210 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 5.011 4.366 -2.370 1.00 0.00 C ATOM 1607 CH2 TRP A 106 6.273 4.547 -2.952 1.00 0.00 C ATOM 0 H TRP A 106 6.091 7.189 3.514 1.00 0.00 H new ATOM 0 HA TRP A 106 3.944 7.099 1.535 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.395 4.943 3.122 1.00 0.00 H new ATOM 0 HB3 TRP A 106 4.186 4.633 1.891 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.786 6.019 2.247 1.00 0.00 H new ATOM 0 HE1 TRP A 106 8.999 5.833 -0.030 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.828 4.457 -0.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 8.316 5.105 -2.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 4.186 4.036 -2.984 1.00 0.00 H new ATOM 0 HH2 TRP A 106 6.403 4.353 -4.006 1.00 0.00 H new ATOM 1618 N SER A 107 1.977 6.424 2.935 1.00 0.00 N ATOM 1619 CA SER A 107 0.794 6.284 3.776 1.00 0.00 C ATOM 1620 C SER A 107 0.776 4.925 4.468 1.00 0.00 C ATOM 1621 O SER A 107 1.726 4.149 4.361 1.00 0.00 O ATOM 1622 CB SER A 107 -0.475 6.461 2.940 1.00 0.00 C ATOM 1623 OG SER A 107 -0.545 5.492 1.908 1.00 0.00 O ATOM 0 H SER A 107 1.786 6.409 1.933 1.00 0.00 H new ATOM 0 HA SER A 107 0.828 7.060 4.541 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.352 6.377 3.582 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.492 7.461 2.506 1.00 0.00 H new ATOM 0 HG SER A 107 -0.015 5.792 1.141 1.00 0.00 H new ATOM 1629 N MET A 108 -0.312 4.643 5.177 1.00 0.00 N ATOM 1630 CA MET A 108 -0.455 3.377 5.886 1.00 0.00 C ATOM 1631 C MET A 108 -0.282 2.198 4.933 1.00 0.00 C ATOM 1632 O MET A 108 -0.492 2.325 3.726 1.00 0.00 O ATOM 1633 CB MET A 108 -1.823 3.301 6.567 1.00 0.00 C ATOM 1634 CG MET A 108 -2.990 3.422 5.601 1.00 0.00 C ATOM 1635 SD MET A 108 -3.283 1.906 4.671 1.00 0.00 S ATOM 1636 CE MET A 108 -4.710 1.250 5.532 1.00 0.00 C ATOM 0 H MET A 108 -1.107 5.274 5.276 1.00 0.00 H new ATOM 0 HA MET A 108 0.324 3.325 6.646 1.00 0.00 H new ATOM 0 HB2 MET A 108 -1.901 2.355 7.102 1.00 0.00 H new ATOM 0 HB3 MET A 108 -1.894 4.094 7.311 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.891 3.682 6.157 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.797 4.239 4.905 1.00 0.00 H new ATOM 0 HE1 MET A 108 -5.012 0.309 5.072 1.00 0.00 H new ATOM 0 HE2 MET A 108 -4.456 1.077 6.578 1.00 0.00 H new ATOM 0 HE3 MET A 108 -5.532 1.964 5.471 1.00 0.00 H new ATOM 1646 N THR A 109 0.102 1.050 5.482 1.00 0.00 N ATOM 1647 CA THR A 109 0.304 -0.151 4.682 1.00 0.00 C ATOM 1648 C THR A 109 -1.003 -0.912 4.493 1.00 0.00 C ATOM 1649 O THR A 109 -1.765 -1.101 5.440 1.00 0.00 O ATOM 1650 CB THR A 109 1.343 -1.088 5.327 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.650 -0.513 5.227 1.00 0.00 O ATOM 1652 CG2 THR A 109 1.331 -2.453 4.655 1.00 0.00 C ATOM 0 H THR A 109 0.279 0.927 6.479 1.00 0.00 H new ATOM 0 HA THR A 109 0.675 0.175 3.710 1.00 0.00 H new ATOM 0 HB THR A 109 1.082 -1.215 6.378 1.00 0.00 H new ATOM 0 HG1 THR A 109 3.240 -0.925 5.892 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.073 -3.097 5.127 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.343 -2.901 4.758 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.569 -2.340 3.597 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.255 -1.349 3.263 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.469 -2.093 2.951 1.00 0.00 C ATOM 1662 C ALA A 110 -2.153 -3.550 2.631 1.00 0.00 C ATOM 1663 O ALA A 110 -1.506 -3.850 1.627 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.202 -1.442 1.787 1.00 0.00 C ATOM 0 H ALA A 110 -0.635 -1.201 2.467 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.114 -2.073 3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.107 -2.008 1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.470 -0.419 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.555 -1.432 0.910 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.613 -4.453 3.491 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.379 -5.880 3.300 1.00 0.00 C ATOM 1672 C HIS A 111 -3.476 -6.500 2.440 1.00 0.00 C ATOM 1673 O HIS A 111 -4.654 -6.183 2.597 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.309 -6.593 4.651 1.00 0.00 C ATOM 1675 CG HIS A 111 -1.036 -6.339 5.398 1.00 0.00 C ATOM 1676 ND1 HIS A 111 0.177 -6.146 4.772 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -0.793 -6.245 6.726 1.00 0.00 C ATOM 1678 CE1 HIS A 111 1.113 -5.946 5.683 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.550 -6.001 6.877 1.00 0.00 N ATOM 0 H HIS A 111 -3.150 -4.222 4.327 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.426 -6.001 2.785 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.151 -6.273 5.265 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.420 -7.666 4.492 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.520 -6.343 7.519 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.160 -5.768 5.485 1.00 0.00 H new ATOM 0 HE2 HIS A 111 1.034 -5.882 7.767 1.00 0.00 H new ATOM 1688 N ALA A 112 -3.079 -7.384 1.530 1.00 0.00 N ATOM 1689 CA ALA A 112 -4.029 -8.049 0.646 1.00 0.00 C ATOM 1690 C ALA A 112 -3.405 -9.280 -0.003 1.00 0.00 C ATOM 1691 O ALA A 112 -2.569 -9.166 -0.900 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.525 -7.082 -0.419 1.00 0.00 C ATOM 0 H ALA A 112 -2.107 -7.656 1.386 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.878 -8.378 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.233 -7.592 -1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.017 -6.235 0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.680 -6.725 -1.008 1.00 0.00 H new ATOM 1698 N THR A 113 -3.816 -10.458 0.456 1.00 0.00 N ATOM 1699 CA THR A 113 -3.296 -11.710 -0.079 1.00 0.00 C ATOM 1700 C THR A 113 -3.907 -12.022 -1.440 1.00 0.00 C ATOM 1701 O THR A 113 -5.028 -11.609 -1.740 1.00 0.00 O ATOM 1702 CB THR A 113 -3.573 -12.887 0.876 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.340 -12.483 2.231 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.689 -14.078 0.538 1.00 0.00 C ATOM 0 H THR A 113 -4.508 -10.571 1.197 1.00 0.00 H new ATOM 0 HA THR A 113 -2.219 -11.584 -0.187 1.00 0.00 H new ATOM 0 HB THR A 113 -4.615 -13.184 0.759 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.520 -13.236 2.832 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.903 -14.896 1.226 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.889 -14.401 -0.484 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.641 -13.791 0.630 1.00 0.00 H new ATOM 1712 N THR A 114 -3.163 -12.754 -2.264 1.00 0.00 N ATOM 1713 CA THR A 114 -3.630 -13.120 -3.594 1.00 0.00 C ATOM 1714 C THR A 114 -4.377 -14.449 -3.568 1.00 0.00 C ATOM 1715 O THR A 114 -4.357 -15.164 -2.565 1.00 0.00 O ATOM 1716 CB THR A 114 -2.461 -13.221 -4.593 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.407 -14.012 -4.034 1.00 0.00 O ATOM 1718 CG2 THR A 114 -1.932 -11.839 -4.948 1.00 0.00 C ATOM 0 H THR A 114 -2.234 -13.105 -2.032 1.00 0.00 H new ATOM 0 HA THR A 114 -4.308 -12.331 -3.919 1.00 0.00 H new ATOM 0 HB THR A 114 -2.828 -13.696 -5.502 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.611 -13.944 -4.601 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.107 -11.935 -5.654 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.730 -11.249 -5.400 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.580 -11.341 -4.045 1.00 0.00 H new ATOM 1726 N TYR A 115 -5.033 -14.775 -4.676 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.788 -16.019 -4.778 1.00 0.00 C ATOM 1728 C TYR A 115 -4.861 -17.197 -5.062 1.00 0.00 C ATOM 1729 O TYR A 115 -3.885 -17.069 -5.799 1.00 0.00 O ATOM 1730 CB TYR A 115 -6.843 -15.910 -5.880 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.905 -14.870 -5.601 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -8.902 -15.101 -4.662 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -7.910 -13.655 -6.277 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -9.874 -14.154 -4.405 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -8.877 -12.702 -6.024 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.858 -12.956 -5.088 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.824 -12.009 -4.833 1.00 0.00 O ATOM 0 H TYR A 115 -5.058 -14.196 -5.515 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.285 -16.192 -3.823 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.349 -15.669 -6.822 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.322 -16.880 -6.010 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -8.917 -16.037 -4.124 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.145 -13.453 -7.012 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -10.643 -14.351 -3.673 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.865 -11.762 -6.556 1.00 0.00 H new ATOM 0 HH TYR A 115 -10.669 -11.223 -5.397 1.00 0.00 H new ATOM 1747 N GLU A 116 -5.176 -18.345 -4.469 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.371 -19.546 -4.657 1.00 0.00 C ATOM 1749 C GLU A 116 -4.399 -19.997 -6.114 1.00 0.00 C ATOM 1750 O GLU A 116 -5.408 -20.509 -6.598 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.878 -20.673 -3.753 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.790 -21.640 -3.319 1.00 0.00 C ATOM 1753 CD GLU A 116 -4.338 -22.824 -2.545 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -5.477 -23.246 -2.832 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.626 -23.327 -1.651 1.00 0.00 O ATOM 0 H GLU A 116 -5.982 -18.468 -3.856 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.342 -19.309 -4.388 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.340 -20.237 -2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.656 -21.227 -4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.257 -22.001 -4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.064 -21.111 -2.701 1.00 0.00 H new ATOM 1762 N ALA A 117 -3.283 -19.802 -6.809 1.00 0.00 N ATOM 1763 CA ALA A 117 -3.178 -20.189 -8.211 1.00 0.00 C ATOM 1764 C ALA A 117 -3.854 -21.533 -8.461 1.00 0.00 C ATOM 1765 O ALA A 117 -3.996 -22.347 -7.548 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.718 -20.243 -8.635 1.00 0.00 C ATOM 0 H ALA A 117 -2.439 -19.378 -6.424 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.691 -19.437 -8.810 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.654 -20.533 -9.684 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.264 -19.261 -8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -1.188 -20.974 -8.024 1.00 0.00 H new