USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 758 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 52 SER OG : rot 150:sc= 1.16 USER MOD Set 1.2: A 53 LYS NZ :NH3+ 162:sc= 1.19 (180deg=0) USER MOD Set 2.1: A 45 MET CE :methyl 158:sc= -0.174 (180deg=-0.751) USER MOD Set 2.2: A 46 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 30 GLN : amide:sc= -2.75! C(o=-5.1!,f=-18!) USER MOD Set 3.2: A 33 LYS NZ :NH3+ -169:sc= -2.78! (180deg=-3.85!) USER MOD Set 3.3: A 108 CYS SG : rot 7:sc= 0.395 USER MOD Single : A 29 ASN : amide:sc= 0.202 K(o=0.2,f=-4.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= -0.0561 (180deg=-0.412) USER MOD Single : A 40 LYS NZ :NH3+ -142:sc= 0.0587 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.388 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0463 X(o=-0.046,f=-0.11) USER MOD Single : A 60 THR OG1 : rot -27:sc= 0.63 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.0733 X(o=-0.073,f=0) USER MOD Single : A 83 SER OG : rot -47:sc= 0.526 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=-0.03) USER MOD Single : A 90 GLN : amide:sc= -4.43! C(o=-4.4!,f=-3.3!) USER MOD Single : A 97 ASN : amide:sc= -0.0258 K(o=-0.026,f=-1.4!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= 1.24 K(o=1.2,f=-4.9!) USER MOD Single : A 106 THR OG1 : rot -148:sc= -0.295 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.2!) USER MOD Single : A 116 TYR OH : rot 144:sc= 0.0843 USER MOD Single : A 117 GLN : amide:sc= -1.4 K(o=-1.4,f=-2.6) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot -34:sc= 0.211 USER MOD ----------------------------------------------------------------- ATOM 180 N ARG A 28 1.844 18.257 1.240 1.00 0.00 N ATOM 181 CA ARG A 28 0.494 18.060 0.762 1.00 0.00 C ATOM 182 C ARG A 28 0.451 17.003 -0.323 1.00 0.00 C ATOM 183 O ARG A 28 -0.190 15.966 -0.173 1.00 0.00 O ATOM 184 CB ARG A 28 -0.046 19.373 0.225 1.00 0.00 C ATOM 185 CG ARG A 28 -0.089 20.436 1.283 1.00 0.00 C ATOM 186 CD ARG A 28 -1.329 20.258 2.133 1.00 0.00 C ATOM 187 NE ARG A 28 -2.550 20.686 1.453 1.00 0.00 N ATOM 188 CZ ARG A 28 -3.771 20.267 1.795 1.00 0.00 C ATOM 189 NH1 ARG A 28 -3.921 19.385 2.777 1.00 0.00 N ATOM 190 NH2 ARG A 28 -4.835 20.733 1.154 1.00 0.00 N ATOM 0 HA ARG A 28 -0.124 17.719 1.593 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.578 19.710 -0.603 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.048 19.217 -0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.803 20.378 1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.091 21.423 0.821 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.424 19.209 2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.215 20.826 3.056 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.465 21.340 0.675 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.103 19.027 3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.854 19.066 3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.720 21.411 0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.768 20.413 1.415 1.00 0.00 H new ATOM 204 N ASN A 29 1.157 17.263 -1.409 1.00 0.00 N ATOM 205 CA ASN A 29 1.104 16.400 -2.571 1.00 0.00 C ATOM 206 C ASN A 29 2.167 15.322 -2.476 1.00 0.00 C ATOM 207 O ASN A 29 3.170 15.484 -1.782 1.00 0.00 O ATOM 208 CB ASN A 29 1.271 17.211 -3.861 1.00 0.00 C ATOM 209 CG ASN A 29 2.628 17.891 -3.978 1.00 0.00 C ATOM 210 OD1 ASN A 29 3.234 18.289 -2.980 1.00 0.00 O ATOM 211 ND2 ASN A 29 3.108 18.039 -5.203 1.00 0.00 N ATOM 0 H ASN A 29 1.775 18.068 -1.509 1.00 0.00 H new ATOM 0 HA ASN A 29 0.125 15.921 -2.598 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.129 16.551 -4.717 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.488 17.968 -3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.009 18.496 -5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.577 17.696 -6.004 1.00 0.00 H new ATOM 218 N GLN A 30 1.934 14.222 -3.174 1.00 0.00 N ATOM 219 CA GLN A 30 2.745 13.032 -3.012 1.00 0.00 C ATOM 220 C GLN A 30 3.940 12.996 -3.962 1.00 0.00 C ATOM 221 O GLN A 30 3.785 12.975 -5.183 1.00 0.00 O ATOM 222 CB GLN A 30 1.884 11.777 -3.190 1.00 0.00 C ATOM 223 CG GLN A 30 1.108 11.717 -4.493 1.00 0.00 C ATOM 224 CD GLN A 30 0.466 10.361 -4.709 1.00 0.00 C ATOM 225 OE1 GLN A 30 1.062 9.475 -5.318 1.00 0.00 O ATOM 226 NE2 GLN A 30 -0.738 10.183 -4.196 1.00 0.00 N ATOM 0 H GLN A 30 1.185 14.131 -3.861 1.00 0.00 H new ATOM 0 HA GLN A 30 3.149 13.058 -2.000 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.528 10.900 -3.126 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.179 11.716 -2.361 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.337 12.487 -4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.778 11.938 -5.324 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.198 10.945 -3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.208 9.284 -4.298 1.00 0.00 H new ATOM 235 N PRO A 31 5.152 13.002 -3.388 1.00 0.00 N ATOM 236 CA PRO A 31 6.406 12.781 -4.118 1.00 0.00 C ATOM 237 C PRO A 31 6.552 11.336 -4.588 1.00 0.00 C ATOM 238 O PRO A 31 5.568 10.592 -4.657 1.00 0.00 O ATOM 239 CB PRO A 31 7.502 13.116 -3.095 1.00 0.00 C ATOM 240 CG PRO A 31 6.805 13.764 -1.946 1.00 0.00 C ATOM 241 CD PRO A 31 5.398 13.258 -1.965 1.00 0.00 C ATOM 0 HA PRO A 31 6.454 13.391 -5.020 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.027 12.216 -2.776 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.248 13.784 -3.526 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.294 13.515 -1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.828 14.850 -2.040 1.00 0.00 H new ATOM 0 HD2 PRO A 31 5.288 12.353 -1.368 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.701 13.992 -1.562 1.00 0.00 H new ATOM 249 N LEU A 32 7.773 10.959 -4.950 1.00 0.00 N ATOM 250 CA LEU A 32 8.084 9.586 -5.328 1.00 0.00 C ATOM 251 C LEU A 32 7.558 8.622 -4.263 1.00 0.00 C ATOM 252 O LEU A 32 7.674 8.876 -3.063 1.00 0.00 O ATOM 253 CB LEU A 32 9.602 9.441 -5.529 1.00 0.00 C ATOM 254 CG LEU A 32 10.105 8.065 -5.979 1.00 0.00 C ATOM 255 CD1 LEU A 32 11.425 8.205 -6.719 1.00 0.00 C ATOM 256 CD2 LEU A 32 10.285 7.149 -4.781 1.00 0.00 C ATOM 0 H LEU A 32 8.571 11.593 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 32 7.594 9.338 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.920 10.178 -6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.096 9.695 -4.591 1.00 0.00 H new ATOM 0 HG LEU A 32 9.364 7.630 -6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.772 7.221 -7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 32 11.285 8.838 -7.596 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.166 8.657 -6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.643 6.176 -5.118 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.011 7.585 -4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.330 7.028 -4.269 1.00 0.00 H new ATOM 268 N LYS A 33 6.993 7.510 -4.710 1.00 0.00 N ATOM 269 CA LYS A 33 6.265 6.612 -3.826 1.00 0.00 C ATOM 270 C LYS A 33 7.042 5.327 -3.563 1.00 0.00 C ATOM 271 O LYS A 33 7.149 4.461 -4.434 1.00 0.00 O ATOM 272 CB LYS A 33 4.868 6.291 -4.395 1.00 0.00 C ATOM 273 CG LYS A 33 4.831 5.958 -5.884 1.00 0.00 C ATOM 274 CD LYS A 33 4.822 7.200 -6.780 1.00 0.00 C ATOM 275 CE LYS A 33 3.576 8.060 -6.588 1.00 0.00 C ATOM 276 NZ LYS A 33 3.634 8.892 -5.354 1.00 0.00 N ATOM 0 H LYS A 33 7.025 7.207 -5.684 1.00 0.00 H new ATOM 0 HA LYS A 33 6.142 7.126 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.453 5.449 -3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.215 7.145 -4.214 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.696 5.344 -6.134 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.944 5.360 -6.094 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.708 7.800 -6.570 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.887 6.890 -7.823 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.452 8.710 -7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.698 7.415 -6.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.699 9.310 -5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.909 8.297 -4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.334 9.651 -5.480 1.00 0.00 H new ATOM 290 N LYS A 34 7.610 5.232 -2.369 1.00 0.00 N ATOM 291 CA LYS A 34 8.351 4.045 -1.956 1.00 0.00 C ATOM 292 C LYS A 34 7.475 3.143 -1.080 1.00 0.00 C ATOM 293 O LYS A 34 7.694 1.934 -0.994 1.00 0.00 O ATOM 294 CB LYS A 34 9.618 4.478 -1.199 1.00 0.00 C ATOM 295 CG LYS A 34 10.751 3.456 -1.207 1.00 0.00 C ATOM 296 CD LYS A 34 10.532 2.334 -0.206 1.00 0.00 C ATOM 297 CE LYS A 34 11.676 1.339 -0.252 1.00 0.00 C ATOM 298 NZ LYS A 34 11.484 0.210 0.696 1.00 0.00 N ATOM 0 H LYS A 34 7.572 5.968 -1.664 1.00 0.00 H new ATOM 0 HA LYS A 34 8.640 3.473 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.984 5.408 -1.634 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.350 4.694 -0.165 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.846 3.033 -2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.691 3.960 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.445 2.749 0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.593 1.825 -0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.773 0.947 -1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.609 1.851 -0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.291 -0.442 0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.418 0.579 1.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.608 -0.298 0.459 1.00 0.00 H new ATOM 312 N GLU A 35 6.473 3.743 -0.445 1.00 0.00 N ATOM 313 CA GLU A 35 5.634 3.037 0.518 1.00 0.00 C ATOM 314 C GLU A 35 4.705 2.029 -0.155 1.00 0.00 C ATOM 315 O GLU A 35 4.516 2.040 -1.373 1.00 0.00 O ATOM 316 CB GLU A 35 4.840 4.038 1.348 1.00 0.00 C ATOM 317 CG GLU A 35 5.726 4.880 2.252 1.00 0.00 C ATOM 318 CD GLU A 35 4.976 5.984 2.959 1.00 0.00 C ATOM 319 OE1 GLU A 35 4.826 7.066 2.369 1.00 0.00 O ATOM 320 OE2 GLU A 35 4.550 5.776 4.118 1.00 0.00 O ATOM 0 H GLU A 35 6.221 4.722 -0.581 1.00 0.00 H new ATOM 0 HA GLU A 35 6.291 2.468 1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.280 4.694 0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.111 3.503 1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.194 4.234 2.995 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.529 5.317 1.658 1.00 0.00 H new ATOM 327 N LYS A 36 4.111 1.177 0.671 1.00 0.00 N ATOM 328 CA LYS A 36 3.431 -0.025 0.209 1.00 0.00 C ATOM 329 C LYS A 36 1.909 0.131 0.287 1.00 0.00 C ATOM 330 O LYS A 36 1.403 0.890 1.115 1.00 0.00 O ATOM 331 CB LYS A 36 3.867 -1.219 1.077 1.00 0.00 C ATOM 332 CG LYS A 36 5.377 -1.345 1.286 1.00 0.00 C ATOM 333 CD LYS A 36 5.884 -0.421 2.380 1.00 0.00 C ATOM 334 CE LYS A 36 7.323 -0.737 2.714 1.00 0.00 C ATOM 335 NZ LYS A 36 7.441 -1.909 3.620 1.00 0.00 N ATOM 0 H LYS A 36 4.088 1.301 1.683 1.00 0.00 H new ATOM 0 HA LYS A 36 3.703 -0.194 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.386 -1.136 2.051 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.501 -2.137 0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.622 -2.376 1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.892 -1.117 0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.799 0.616 2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.265 -0.529 3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.874 -0.933 1.794 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.785 0.132 3.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.445 -2.091 3.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.938 -1.713 4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.024 -2.745 3.163 1.00 0.00 H new ATOM 349 N PRO A 37 1.163 -0.596 -0.576 1.00 0.00 N ATOM 350 CA PRO A 37 -0.309 -0.590 -0.566 1.00 0.00 C ATOM 351 C PRO A 37 -0.873 -1.118 0.754 1.00 0.00 C ATOM 352 O PRO A 37 -0.313 -2.040 1.354 1.00 0.00 O ATOM 353 CB PRO A 37 -0.696 -1.516 -1.721 1.00 0.00 C ATOM 354 CG PRO A 37 0.528 -1.635 -2.564 1.00 0.00 C ATOM 355 CD PRO A 37 1.694 -1.472 -1.632 1.00 0.00 C ATOM 0 HA PRO A 37 -0.709 0.418 -0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.015 -2.491 -1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.528 -1.104 -2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.563 -2.602 -3.066 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.541 -0.871 -3.342 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.026 -2.430 -1.231 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.551 -1.023 -2.134 1.00 0.00 H new ATOM 363 N LYS A 38 -1.991 -0.550 1.192 1.00 0.00 N ATOM 364 CA LYS A 38 -2.474 -0.795 2.542 1.00 0.00 C ATOM 365 C LYS A 38 -3.765 -1.589 2.603 1.00 0.00 C ATOM 366 O LYS A 38 -4.830 -1.125 2.182 1.00 0.00 O ATOM 367 CB LYS A 38 -2.652 0.512 3.278 1.00 0.00 C ATOM 368 CG LYS A 38 -3.266 0.341 4.649 1.00 0.00 C ATOM 369 CD LYS A 38 -3.777 1.660 5.203 1.00 0.00 C ATOM 370 CE LYS A 38 -4.937 2.193 4.373 1.00 0.00 C ATOM 371 NZ LYS A 38 -6.070 1.226 4.302 1.00 0.00 N ATOM 0 H LYS A 38 -2.574 0.077 0.637 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.710 -1.407 3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.683 1.000 3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.282 1.174 2.684 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.087 -0.373 4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.525 -0.077 5.330 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.098 1.524 6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.968 2.391 5.214 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.288 3.131 4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.588 2.416 3.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.921 1.713 3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.825 0.451 3.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.255 0.838 5.249 1.00 0.00 H new ATOM 385 N TRP A 39 -3.626 -2.763 3.189 1.00 0.00 N ATOM 386 CA TRP A 39 -4.748 -3.666 3.506 1.00 0.00 C ATOM 387 C TRP A 39 -4.209 -5.032 3.968 1.00 0.00 C ATOM 388 O TRP A 39 -4.924 -6.035 3.958 1.00 0.00 O ATOM 389 CB TRP A 39 -5.641 -3.867 2.272 1.00 0.00 C ATOM 390 CG TRP A 39 -5.115 -4.907 1.335 1.00 0.00 C ATOM 391 CD1 TRP A 39 -3.872 -4.958 0.773 1.00 0.00 C ATOM 392 CD2 TRP A 39 -5.812 -6.069 0.871 1.00 0.00 C ATOM 393 NE1 TRP A 39 -3.764 -6.076 -0.005 1.00 0.00 N ATOM 394 CE2 TRP A 39 -4.931 -6.770 0.036 1.00 0.00 C ATOM 395 CE3 TRP A 39 -7.092 -6.586 1.079 1.00 0.00 C ATOM 396 CZ2 TRP A 39 -5.276 -7.955 -0.592 1.00 0.00 C ATOM 397 CZ3 TRP A 39 -7.440 -7.769 0.452 1.00 0.00 C ATOM 398 CH2 TRP A 39 -6.534 -8.444 -0.376 1.00 0.00 C ATOM 0 H TRP A 39 -2.718 -3.135 3.469 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.337 -3.215 4.304 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.642 -4.151 2.597 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.735 -2.920 1.740 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -3.092 -4.226 0.921 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -2.936 -6.347 -0.534 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -7.796 -6.073 1.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.576 -8.474 -1.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -8.427 -8.179 0.604 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -6.834 -9.366 -0.852 1.00 0.00 H new ATOM 409 N LYS A 40 -2.962 -5.058 4.412 1.00 0.00 N ATOM 410 CA LYS A 40 -2.198 -6.291 4.461 1.00 0.00 C ATOM 411 C LYS A 40 -1.595 -6.498 5.847 1.00 0.00 C ATOM 412 O LYS A 40 -1.241 -5.540 6.535 1.00 0.00 O ATOM 413 CB LYS A 40 -1.121 -6.215 3.367 1.00 0.00 C ATOM 414 CG LYS A 40 -0.350 -7.500 3.127 1.00 0.00 C ATOM 415 CD LYS A 40 0.888 -7.573 3.990 1.00 0.00 C ATOM 416 CE LYS A 40 1.870 -6.480 3.618 1.00 0.00 C ATOM 417 NZ LYS A 40 3.017 -6.410 4.561 1.00 0.00 N ATOM 0 H LYS A 40 -2.458 -4.236 4.744 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.840 -7.152 4.277 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.596 -5.915 2.433 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.413 -5.429 3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.992 -8.355 3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.067 -7.565 2.076 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.611 -7.477 5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.361 -8.548 3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.242 -6.656 2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.354 -5.520 3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.276 -5.415 4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.749 -6.846 5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.829 -6.919 4.158 1.00 0.00 H new ATOM 431 N SER A 41 -1.473 -7.763 6.228 1.00 0.00 N ATOM 432 CA SER A 41 -1.009 -8.149 7.553 1.00 0.00 C ATOM 433 C SER A 41 0.432 -7.725 7.786 1.00 0.00 C ATOM 434 O SER A 41 1.273 -7.815 6.892 1.00 0.00 O ATOM 435 CB SER A 41 -1.113 -9.667 7.686 1.00 0.00 C ATOM 436 OG SER A 41 -2.452 -10.099 7.534 1.00 0.00 O ATOM 0 H SER A 41 -1.694 -8.554 5.623 1.00 0.00 H new ATOM 0 HA SER A 41 -1.631 -7.650 8.296 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.485 -10.145 6.934 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.736 -9.977 8.660 1.00 0.00 H new ATOM 0 HG SER A 41 -2.493 -11.074 7.621 1.00 0.00 H new ATOM 442 N ASP A 42 0.702 -7.260 9.001 1.00 0.00 N ATOM 443 CA ASP A 42 2.055 -6.902 9.412 1.00 0.00 C ATOM 444 C ASP A 42 2.976 -8.100 9.241 1.00 0.00 C ATOM 445 O ASP A 42 4.118 -7.965 8.806 1.00 0.00 O ATOM 446 CB ASP A 42 2.064 -6.433 10.869 1.00 0.00 C ATOM 447 CG ASP A 42 3.438 -5.995 11.330 1.00 0.00 C ATOM 448 OD1 ASP A 42 3.882 -4.899 10.926 1.00 0.00 O ATOM 449 OD2 ASP A 42 4.068 -6.729 12.122 1.00 0.00 O ATOM 0 H ASP A 42 -0.004 -7.121 9.724 1.00 0.00 H new ATOM 0 HA ASP A 42 2.410 -6.085 8.785 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.365 -5.605 10.985 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.710 -7.241 11.509 1.00 0.00 H new ATOM 454 N TYR A 43 2.452 -9.271 9.572 1.00 0.00 N ATOM 455 CA TYR A 43 3.122 -10.531 9.294 1.00 0.00 C ATOM 456 C TYR A 43 2.087 -11.559 8.861 1.00 0.00 C ATOM 457 O TYR A 43 1.474 -12.218 9.696 1.00 0.00 O ATOM 458 CB TYR A 43 3.878 -11.046 10.523 1.00 0.00 C ATOM 459 CG TYR A 43 4.782 -12.243 10.244 1.00 0.00 C ATOM 460 CD1 TYR A 43 4.275 -13.541 10.199 1.00 0.00 C ATOM 461 CD2 TYR A 43 6.145 -12.070 10.039 1.00 0.00 C ATOM 462 CE1 TYR A 43 5.102 -14.623 9.954 1.00 0.00 C ATOM 463 CE2 TYR A 43 6.976 -13.147 9.792 1.00 0.00 C ATOM 464 CZ TYR A 43 6.450 -14.420 9.751 1.00 0.00 C ATOM 465 OH TYR A 43 7.278 -15.498 9.514 1.00 0.00 O ATOM 0 H TYR A 43 1.552 -9.374 10.040 1.00 0.00 H new ATOM 0 HA TYR A 43 3.849 -10.368 8.498 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.482 -10.235 10.930 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.155 -11.322 11.291 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.219 -13.705 10.358 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.564 -11.075 10.073 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.693 -15.622 9.922 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.033 -12.991 9.632 1.00 0.00 H new ATOM 0 HH TYR A 43 8.198 -15.183 9.391 1.00 0.00 H new ATOM 475 N PRO A 44 1.844 -11.684 7.554 1.00 0.00 N ATOM 476 CA PRO A 44 0.942 -12.696 7.019 1.00 0.00 C ATOM 477 C PRO A 44 1.574 -14.075 7.112 1.00 0.00 C ATOM 478 O PRO A 44 2.755 -14.246 6.796 1.00 0.00 O ATOM 479 CB PRO A 44 0.737 -12.278 5.555 1.00 0.00 C ATOM 480 CG PRO A 44 1.373 -10.932 5.422 1.00 0.00 C ATOM 481 CD PRO A 44 2.422 -10.860 6.491 1.00 0.00 C ATOM 0 HA PRO A 44 0.001 -12.758 7.566 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.196 -12.996 4.876 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.323 -12.236 5.305 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.815 -10.806 4.434 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.636 -10.139 5.545 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.379 -11.252 6.148 1.00 0.00 H new ATOM 0 HD3 PRO A 44 2.597 -9.836 6.820 1.00 0.00 H new ATOM 489 N MET A 45 0.809 -15.052 7.568 1.00 0.00 N ATOM 490 CA MET A 45 1.356 -16.380 7.786 1.00 0.00 C ATOM 491 C MET A 45 0.762 -17.390 6.809 1.00 0.00 C ATOM 492 O MET A 45 1.355 -17.673 5.772 1.00 0.00 O ATOM 493 CB MET A 45 1.126 -16.832 9.229 1.00 0.00 C ATOM 494 CG MET A 45 2.317 -17.567 9.821 1.00 0.00 C ATOM 495 SD MET A 45 1.993 -18.209 11.477 1.00 0.00 S ATOM 496 CE MET A 45 0.683 -19.385 11.135 1.00 0.00 C ATOM 0 H MET A 45 -0.181 -14.953 7.792 1.00 0.00 H new ATOM 0 HA MET A 45 2.430 -16.329 7.607 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.902 -15.961 9.845 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.251 -17.482 9.265 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.592 -18.392 9.164 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.172 -16.892 9.859 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.640 -20.124 11.935 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.270 -18.860 11.074 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.882 -19.887 10.188 1.00 0.00 H new ATOM 506 N THR A 46 -0.385 -17.962 7.158 1.00 0.00 N ATOM 507 CA THR A 46 -1.036 -18.938 6.295 1.00 0.00 C ATOM 508 C THR A 46 -2.415 -18.463 5.825 1.00 0.00 C ATOM 509 O THR A 46 -2.815 -17.328 6.104 1.00 0.00 O ATOM 510 CB THR A 46 -1.168 -20.292 7.006 1.00 0.00 C ATOM 511 OG1 THR A 46 -1.856 -20.121 8.253 1.00 0.00 O ATOM 512 CG2 THR A 46 0.201 -20.910 7.257 1.00 0.00 C ATOM 0 H THR A 46 -0.880 -17.767 8.028 1.00 0.00 H new ATOM 0 HA THR A 46 -0.403 -19.053 5.415 1.00 0.00 H new ATOM 0 HB THR A 46 -1.737 -20.963 6.363 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.939 -20.988 8.702 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.080 -21.869 7.762 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.711 -21.062 6.306 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.792 -20.242 7.883 1.00 0.00 H new ATOM 520 N ASP A 47 -3.135 -19.355 5.133 1.00 0.00 N ATOM 521 CA ASP A 47 -4.484 -19.076 4.619 1.00 0.00 C ATOM 522 C ASP A 47 -5.390 -18.490 5.693 1.00 0.00 C ATOM 523 O ASP A 47 -6.106 -17.521 5.444 1.00 0.00 O ATOM 524 CB ASP A 47 -5.120 -20.360 4.066 1.00 0.00 C ATOM 525 CG ASP A 47 -6.569 -20.169 3.632 1.00 0.00 C ATOM 526 OD1 ASP A 47 -6.803 -19.737 2.483 1.00 0.00 O ATOM 527 OD2 ASP A 47 -7.480 -20.465 4.438 1.00 0.00 O ATOM 0 H ASP A 47 -2.799 -20.293 4.913 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.379 -18.341 3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.535 -20.711 3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.074 -21.138 4.828 1.00 0.00 H new ATOM 532 N GLY A 48 -5.352 -19.080 6.887 1.00 0.00 N ATOM 533 CA GLY A 48 -6.170 -18.594 7.987 1.00 0.00 C ATOM 534 C GLY A 48 -5.974 -17.113 8.238 1.00 0.00 C ATOM 535 O GLY A 48 -6.939 -16.374 8.428 1.00 0.00 O ATOM 0 H GLY A 48 -4.769 -19.886 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -7.220 -18.787 7.769 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.925 -19.149 8.892 1.00 0.00 H new ATOM 539 N GLN A 49 -4.725 -16.672 8.199 1.00 0.00 N ATOM 540 CA GLN A 49 -4.400 -15.270 8.408 1.00 0.00 C ATOM 541 C GLN A 49 -4.826 -14.444 7.205 1.00 0.00 C ATOM 542 O GLN A 49 -5.379 -13.357 7.354 1.00 0.00 O ATOM 543 CB GLN A 49 -2.901 -15.107 8.652 1.00 0.00 C ATOM 544 CG GLN A 49 -2.409 -15.907 9.841 1.00 0.00 C ATOM 545 CD GLN A 49 -2.970 -15.400 11.155 1.00 0.00 C ATOM 546 OE1 GLN A 49 -4.038 -15.823 11.593 1.00 0.00 O ATOM 547 NE2 GLN A 49 -2.245 -14.505 11.803 1.00 0.00 N ATOM 0 H GLN A 49 -3.917 -17.269 8.024 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.941 -14.915 9.285 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.357 -15.418 7.760 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.676 -14.052 8.811 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.687 -16.953 9.711 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.320 -15.868 9.875 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.364 -14.179 11.406 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.567 -14.141 12.700 1.00 0.00 H new ATOM 556 N LEU A 50 -4.575 -14.982 6.016 1.00 0.00 N ATOM 557 CA LEU A 50 -4.935 -14.311 4.775 1.00 0.00 C ATOM 558 C LEU A 50 -6.434 -14.030 4.745 1.00 0.00 C ATOM 559 O LEU A 50 -6.847 -12.883 4.644 1.00 0.00 O ATOM 560 CB LEU A 50 -4.506 -15.174 3.572 1.00 0.00 C ATOM 561 CG LEU A 50 -4.693 -14.561 2.168 1.00 0.00 C ATOM 562 CD1 LEU A 50 -6.123 -14.720 1.673 1.00 0.00 C ATOM 563 CD2 LEU A 50 -4.287 -13.092 2.159 1.00 0.00 C ATOM 0 H LEU A 50 -4.121 -15.886 5.887 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.413 -13.356 4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.453 -15.426 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.064 -16.110 3.610 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.041 -15.106 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.216 -14.277 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.375 -15.779 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.804 -14.218 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.428 -12.682 1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.904 -12.540 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.239 -13.002 2.444 1.00 0.00 H new ATOM 575 N ARG A 51 -7.236 -15.078 4.876 1.00 0.00 N ATOM 576 CA ARG A 51 -8.689 -14.958 4.766 1.00 0.00 C ATOM 577 C ARG A 51 -9.265 -14.074 5.877 1.00 0.00 C ATOM 578 O ARG A 51 -10.086 -13.189 5.617 1.00 0.00 O ATOM 579 CB ARG A 51 -9.336 -16.349 4.794 1.00 0.00 C ATOM 580 CG ARG A 51 -9.135 -17.103 6.102 1.00 0.00 C ATOM 581 CD ARG A 51 -9.453 -18.579 5.958 1.00 0.00 C ATOM 582 NE ARG A 51 -10.811 -18.810 5.483 1.00 0.00 N ATOM 583 CZ ARG A 51 -11.151 -19.803 4.670 1.00 0.00 C ATOM 584 NH1 ARG A 51 -10.232 -20.643 4.217 1.00 0.00 N ATOM 585 NH2 ARG A 51 -12.411 -19.948 4.297 1.00 0.00 N ATOM 0 H ARG A 51 -6.906 -16.026 5.059 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.917 -14.479 3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.405 -16.244 4.608 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.927 -16.944 3.978 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.104 -16.984 6.435 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.771 -16.668 6.873 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.746 -19.034 5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.319 -19.073 6.920 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.543 -18.171 5.793 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -9.257 -20.529 4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.500 -21.404 3.593 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.121 -19.297 4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.673 -20.710 3.672 1.00 0.00 H new ATOM 599 N SER A 52 -8.812 -14.303 7.105 1.00 0.00 N ATOM 600 CA SER A 52 -9.321 -13.583 8.260 1.00 0.00 C ATOM 601 C SER A 52 -8.971 -12.105 8.174 1.00 0.00 C ATOM 602 O SER A 52 -9.848 -11.239 8.255 1.00 0.00 O ATOM 603 CB SER A 52 -8.757 -14.198 9.544 1.00 0.00 C ATOM 604 OG SER A 52 -9.108 -13.442 10.690 1.00 0.00 O ATOM 0 H SER A 52 -8.088 -14.987 7.324 1.00 0.00 H new ATOM 0 HA SER A 52 -10.408 -13.668 8.275 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.130 -15.217 9.653 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.671 -14.262 9.470 1.00 0.00 H new ATOM 0 HG SER A 52 -9.178 -14.037 11.466 1.00 0.00 H new ATOM 610 N LYS A 53 -7.691 -11.820 7.995 1.00 0.00 N ATOM 611 CA LYS A 53 -7.239 -10.444 7.912 1.00 0.00 C ATOM 612 C LYS A 53 -7.793 -9.763 6.669 1.00 0.00 C ATOM 613 O LYS A 53 -8.123 -8.585 6.712 1.00 0.00 O ATOM 614 CB LYS A 53 -5.713 -10.369 7.940 1.00 0.00 C ATOM 615 CG LYS A 53 -5.112 -10.311 9.344 1.00 0.00 C ATOM 616 CD LYS A 53 -5.600 -11.438 10.246 1.00 0.00 C ATOM 617 CE LYS A 53 -6.668 -10.951 11.217 1.00 0.00 C ATOM 618 NZ LYS A 53 -7.202 -12.046 12.070 1.00 0.00 N ATOM 0 H LYS A 53 -6.953 -12.518 7.905 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.619 -9.912 8.784 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.309 -11.237 7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.394 -9.487 7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.025 -10.356 9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.361 -9.353 9.801 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.003 -12.246 9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.759 -11.849 10.804 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.249 -10.171 11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.486 -10.499 10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.682 -11.639 12.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.879 -12.614 11.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.419 -12.652 12.387 1.00 0.00 H new ATOM 632 N ARG A 54 -7.924 -10.510 5.574 1.00 0.00 N ATOM 633 CA ARG A 54 -8.470 -9.960 4.337 1.00 0.00 C ATOM 634 C ARG A 54 -9.850 -9.360 4.571 1.00 0.00 C ATOM 635 O ARG A 54 -10.122 -8.247 4.144 1.00 0.00 O ATOM 636 CB ARG A 54 -8.555 -11.032 3.245 1.00 0.00 C ATOM 637 CG ARG A 54 -9.127 -10.518 1.933 1.00 0.00 C ATOM 638 CD ARG A 54 -9.113 -11.588 0.858 1.00 0.00 C ATOM 639 NE ARG A 54 -9.909 -12.752 1.231 1.00 0.00 N ATOM 640 CZ ARG A 54 -9.821 -13.939 0.634 1.00 0.00 C ATOM 641 NH1 ARG A 54 -8.971 -14.123 -0.369 1.00 0.00 N ATOM 642 NH2 ARG A 54 -10.582 -14.940 1.049 1.00 0.00 N ATOM 0 H ARG A 54 -7.660 -11.494 5.519 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.793 -9.173 4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.559 -11.435 3.064 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.172 -11.856 3.603 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.149 -10.174 2.091 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.550 -9.657 1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.496 -11.171 -0.073 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.085 -11.898 0.669 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.575 -12.650 1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.381 -13.353 -0.686 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.907 -15.034 -0.823 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.232 -14.800 1.823 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.518 -15.851 0.595 1.00 0.00 H new ATOM 656 N ASP A 55 -10.709 -10.093 5.274 1.00 0.00 N ATOM 657 CA ASP A 55 -12.070 -9.639 5.518 1.00 0.00 C ATOM 658 C ASP A 55 -12.073 -8.394 6.408 1.00 0.00 C ATOM 659 O ASP A 55 -12.656 -7.358 6.055 1.00 0.00 O ATOM 660 CB ASP A 55 -12.868 -10.767 6.167 1.00 0.00 C ATOM 661 CG ASP A 55 -14.319 -10.402 6.412 1.00 0.00 C ATOM 662 OD1 ASP A 55 -14.628 -9.834 7.480 1.00 0.00 O ATOM 663 OD2 ASP A 55 -15.165 -10.693 5.535 1.00 0.00 O ATOM 0 H ASP A 55 -10.486 -11.001 5.682 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.534 -9.371 4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.824 -11.649 5.529 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.402 -11.036 7.115 1.00 0.00 H new ATOM 668 N GLU A 56 -11.392 -8.503 7.548 1.00 0.00 N ATOM 669 CA GLU A 56 -11.273 -7.393 8.496 1.00 0.00 C ATOM 670 C GLU A 56 -10.697 -6.151 7.828 1.00 0.00 C ATOM 671 O GLU A 56 -11.239 -5.050 7.960 1.00 0.00 O ATOM 672 CB GLU A 56 -10.380 -7.789 9.670 1.00 0.00 C ATOM 673 CG GLU A 56 -10.993 -8.834 10.586 1.00 0.00 C ATOM 674 CD GLU A 56 -10.073 -9.216 11.727 1.00 0.00 C ATOM 675 OE1 GLU A 56 -9.488 -8.312 12.364 1.00 0.00 O ATOM 676 OE2 GLU A 56 -9.940 -10.425 12.008 1.00 0.00 O ATOM 0 H GLU A 56 -10.911 -9.354 7.840 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.276 -7.163 8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.435 -8.170 9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.149 -6.898 10.255 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.930 -8.452 10.991 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.236 -9.724 10.005 1.00 0.00 H new ATOM 683 N PHE A 57 -9.593 -6.334 7.122 1.00 0.00 N ATOM 684 CA PHE A 57 -8.934 -5.235 6.434 1.00 0.00 C ATOM 685 C PHE A 57 -9.793 -4.686 5.308 1.00 0.00 C ATOM 686 O PHE A 57 -9.916 -3.482 5.184 1.00 0.00 O ATOM 687 CB PHE A 57 -7.580 -5.665 5.880 1.00 0.00 C ATOM 688 CG PHE A 57 -6.462 -5.583 6.887 1.00 0.00 C ATOM 689 CD1 PHE A 57 -5.878 -4.361 7.187 1.00 0.00 C ATOM 690 CD2 PHE A 57 -5.992 -6.718 7.526 1.00 0.00 C ATOM 691 CE1 PHE A 57 -4.851 -4.274 8.106 1.00 0.00 C ATOM 692 CE2 PHE A 57 -4.965 -6.636 8.449 1.00 0.00 C ATOM 693 CZ PHE A 57 -4.393 -5.412 8.737 1.00 0.00 C ATOM 0 H PHE A 57 -9.133 -7.237 7.010 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.782 -4.446 7.171 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.655 -6.690 5.515 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.332 -5.039 5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.231 -3.466 6.696 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.432 -7.678 7.301 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.407 -3.316 8.331 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.611 -7.528 8.944 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.589 -5.346 9.455 1.00 0.00 H new ATOM 703 N TRP A 58 -10.379 -5.568 4.500 1.00 0.00 N ATOM 704 CA TRP A 58 -11.220 -5.146 3.368 1.00 0.00 C ATOM 705 C TRP A 58 -12.273 -4.124 3.786 1.00 0.00 C ATOM 706 O TRP A 58 -12.583 -3.203 3.031 1.00 0.00 O ATOM 707 CB TRP A 58 -11.911 -6.337 2.696 1.00 0.00 C ATOM 708 CG TRP A 58 -11.350 -6.655 1.341 1.00 0.00 C ATOM 709 CD1 TRP A 58 -10.952 -7.875 0.879 1.00 0.00 C ATOM 710 CD2 TRP A 58 -11.112 -5.727 0.275 1.00 0.00 C ATOM 711 NE1 TRP A 58 -10.486 -7.765 -0.409 1.00 0.00 N ATOM 712 CE2 TRP A 58 -10.573 -6.455 -0.800 1.00 0.00 C ATOM 713 CE3 TRP A 58 -11.306 -4.350 0.124 1.00 0.00 C ATOM 714 CZ2 TRP A 58 -10.221 -5.853 -2.004 1.00 0.00 C ATOM 715 CZ3 TRP A 58 -10.957 -3.754 -1.070 1.00 0.00 C ATOM 716 CH2 TRP A 58 -10.423 -4.504 -2.122 1.00 0.00 C ATOM 0 H TRP A 58 -10.291 -6.579 4.603 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.544 -4.679 2.651 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -11.816 -7.214 3.337 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -12.976 -6.125 2.601 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -10.997 -8.794 1.444 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -10.133 -8.533 -0.980 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -11.722 -3.763 0.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -9.803 -6.429 -2.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -11.099 -2.691 -1.194 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -10.165 -4.009 -3.047 1.00 0.00 H new ATOM 727 N ASP A 59 -12.816 -4.286 4.985 1.00 0.00 N ATOM 728 CA ASP A 59 -13.766 -3.312 5.527 1.00 0.00 C ATOM 729 C ASP A 59 -13.179 -1.897 5.533 1.00 0.00 C ATOM 730 O ASP A 59 -13.865 -0.930 5.201 1.00 0.00 O ATOM 731 CB ASP A 59 -14.177 -3.695 6.947 1.00 0.00 C ATOM 732 CG ASP A 59 -14.785 -2.526 7.695 1.00 0.00 C ATOM 733 OD1 ASP A 59 -15.975 -2.226 7.482 1.00 0.00 O ATOM 734 OD2 ASP A 59 -14.060 -1.888 8.483 1.00 0.00 O ATOM 0 H ASP A 59 -12.620 -5.075 5.601 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.643 -3.321 4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.895 -4.514 6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.306 -4.060 7.491 1.00 0.00 H new ATOM 739 N THR A 60 -11.911 -1.786 5.895 1.00 0.00 N ATOM 740 CA THR A 60 -11.267 -0.484 6.021 1.00 0.00 C ATOM 741 C THR A 60 -10.177 -0.294 4.958 1.00 0.00 C ATOM 742 O THR A 60 -9.390 0.653 5.013 1.00 0.00 O ATOM 743 CB THR A 60 -10.652 -0.323 7.426 1.00 0.00 C ATOM 744 OG1 THR A 60 -11.478 -0.977 8.399 1.00 0.00 O ATOM 745 CG2 THR A 60 -10.510 1.147 7.805 1.00 0.00 C ATOM 0 H THR A 60 -11.306 -2.579 6.107 1.00 0.00 H new ATOM 0 HA THR A 60 -12.032 0.278 5.870 1.00 0.00 H new ATOM 0 HB THR A 60 -9.661 -0.777 7.408 1.00 0.00 H new ATOM 0 HG1 THR A 60 -12.403 -1.005 8.077 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.074 1.226 8.801 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.863 1.648 7.085 1.00 0.00 H new ATOM 0 HG23 THR A 60 -11.492 1.620 7.801 1.00 0.00 H new ATOM 753 N ALA A 61 -10.136 -1.200 3.988 1.00 0.00 N ATOM 754 CA ALA A 61 -9.123 -1.157 2.946 1.00 0.00 C ATOM 755 C ALA A 61 -9.302 0.071 2.058 1.00 0.00 C ATOM 756 O ALA A 61 -8.403 0.897 1.998 1.00 0.00 O ATOM 757 CB ALA A 61 -9.109 -2.445 2.130 1.00 0.00 C ATOM 0 H ALA A 61 -10.795 -1.974 3.903 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.150 -1.073 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.340 -2.379 1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.895 -3.289 2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.082 -2.589 1.660 1.00 0.00 H new ATOM 763 N PRO A 62 -10.456 0.233 1.372 1.00 0.00 N ATOM 764 CA PRO A 62 -10.715 1.425 0.569 1.00 0.00 C ATOM 765 C PRO A 62 -11.331 2.546 1.404 1.00 0.00 C ATOM 766 O PRO A 62 -11.458 3.683 0.948 1.00 0.00 O ATOM 767 CB PRO A 62 -11.702 0.918 -0.473 1.00 0.00 C ATOM 768 CG PRO A 62 -12.493 -0.129 0.239 1.00 0.00 C ATOM 769 CD PRO A 62 -11.591 -0.714 1.300 1.00 0.00 C ATOM 0 HA PRO A 62 -9.809 1.855 0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -12.343 1.721 -0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -11.187 0.505 -1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.388 0.302 0.688 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.824 -0.901 -0.455 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.104 -0.795 2.258 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.257 -1.716 1.031 1.00 0.00 H new ATOM 822 N GLY A 66 -14.819 7.553 -2.315 1.00 0.00 N ATOM 823 CA GLY A 66 -15.098 8.962 -2.469 1.00 0.00 C ATOM 824 C GLY A 66 -15.572 9.342 -3.850 1.00 0.00 C ATOM 825 O GLY A 66 -16.741 9.167 -4.190 1.00 0.00 O ATOM 0 HA2 GLY A 66 -15.856 9.254 -1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.197 9.529 -2.236 1.00 0.00 H new ATOM 829 N ARG A 67 -14.652 9.860 -4.639 1.00 0.00 N ATOM 830 CA ARG A 67 -14.955 10.413 -5.945 1.00 0.00 C ATOM 831 C ARG A 67 -14.621 9.389 -7.030 1.00 0.00 C ATOM 832 O ARG A 67 -13.462 9.025 -7.207 1.00 0.00 O ATOM 833 CB ARG A 67 -14.117 11.681 -6.111 1.00 0.00 C ATOM 834 CG ARG A 67 -14.614 12.673 -7.146 1.00 0.00 C ATOM 835 CD ARG A 67 -14.237 14.075 -6.706 1.00 0.00 C ATOM 836 NE ARG A 67 -14.384 15.082 -7.750 1.00 0.00 N ATOM 837 CZ ARG A 67 -13.519 16.082 -7.925 1.00 0.00 C ATOM 838 NH1 ARG A 67 -12.422 16.154 -7.178 1.00 0.00 N ATOM 839 NH2 ARG A 67 -13.744 17.002 -8.855 1.00 0.00 N ATOM 0 H ARG A 67 -13.664 9.910 -4.390 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.014 10.654 -6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -14.064 12.187 -5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -13.100 11.389 -6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.176 12.453 -8.119 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.695 12.591 -7.257 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -14.856 14.356 -5.854 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -13.203 14.071 -6.362 1.00 0.00 H new ATOM 0 HE ARG A 67 -15.187 15.019 -8.376 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.240 15.444 -6.469 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.762 16.920 -7.314 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.580 16.945 -9.437 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.081 17.766 -8.987 1.00 0.00 H new ATOM 853 N LYS A 68 -15.630 8.893 -7.731 1.00 0.00 N ATOM 854 CA LYS A 68 -15.403 7.916 -8.796 1.00 0.00 C ATOM 855 C LYS A 68 -14.843 8.601 -10.032 1.00 0.00 C ATOM 856 O LYS A 68 -14.147 7.986 -10.837 1.00 0.00 O ATOM 857 CB LYS A 68 -16.696 7.200 -9.171 1.00 0.00 C ATOM 858 CG LYS A 68 -17.356 6.476 -8.012 1.00 0.00 C ATOM 859 CD LYS A 68 -16.583 5.230 -7.611 1.00 0.00 C ATOM 860 CE LYS A 68 -17.264 4.529 -6.451 1.00 0.00 C ATOM 861 NZ LYS A 68 -16.639 3.218 -6.130 1.00 0.00 N ATOM 0 H LYS A 68 -16.608 9.146 -7.587 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.687 7.184 -8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.398 7.928 -9.579 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -16.485 6.481 -9.963 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.429 7.149 -7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.373 6.199 -8.288 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -16.510 4.551 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.565 5.501 -7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.227 5.171 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.317 4.377 -6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.141 2.780 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.697 2.593 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.641 3.362 -5.875 1.00 0.00 H new ATOM 875 N GLU A 69 -15.162 9.881 -10.170 1.00 0.00 N ATOM 876 CA GLU A 69 -14.698 10.672 -11.303 1.00 0.00 C ATOM 877 C GLU A 69 -13.176 10.683 -11.380 1.00 0.00 C ATOM 878 O GLU A 69 -12.593 10.645 -12.463 1.00 0.00 O ATOM 879 CB GLU A 69 -15.228 12.097 -11.202 1.00 0.00 C ATOM 880 CG GLU A 69 -16.731 12.163 -11.362 1.00 0.00 C ATOM 881 CD GLU A 69 -17.186 11.886 -12.779 1.00 0.00 C ATOM 882 OE1 GLU A 69 -16.364 12.002 -13.708 1.00 0.00 O ATOM 883 OE2 GLU A 69 -18.376 11.554 -12.967 1.00 0.00 O ATOM 0 H GLU A 69 -15.743 10.396 -9.508 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.080 10.213 -12.215 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -14.949 12.519 -10.236 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.756 12.713 -11.967 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.195 11.441 -10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.080 13.150 -11.060 1.00 0.00 H new ATOM 890 N ILE A 70 -12.541 10.724 -10.218 1.00 0.00 N ATOM 891 CA ILE A 70 -11.090 10.752 -10.134 1.00 0.00 C ATOM 892 C ILE A 70 -10.495 9.350 -10.239 1.00 0.00 C ATOM 893 O ILE A 70 -9.323 9.200 -10.572 1.00 0.00 O ATOM 894 CB ILE A 70 -10.593 11.396 -8.827 1.00 0.00 C ATOM 895 CG1 ILE A 70 -9.086 11.648 -8.921 1.00 0.00 C ATOM 896 CG2 ILE A 70 -10.927 10.508 -7.633 1.00 0.00 C ATOM 897 CD1 ILE A 70 -8.401 11.704 -7.581 1.00 0.00 C ATOM 0 H ILE A 70 -13.013 10.739 -9.314 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.757 11.358 -10.977 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.098 12.351 -8.681 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.631 10.860 -9.520 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.915 12.587 -9.447 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.568 10.979 -6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.007 10.372 -7.572 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.445 9.538 -7.755 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.336 11.885 -7.724 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.830 12.511 -6.987 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.541 10.756 -7.061 1.00 0.00 H new ATOM 909 N TRP A 71 -11.302 8.329 -9.935 1.00 0.00 N ATOM 910 CA TRP A 71 -10.817 6.946 -9.845 1.00 0.00 C ATOM 911 C TRP A 71 -9.951 6.574 -11.041 1.00 0.00 C ATOM 912 O TRP A 71 -8.913 5.931 -10.888 1.00 0.00 O ATOM 913 CB TRP A 71 -11.989 5.968 -9.751 1.00 0.00 C ATOM 914 CG TRP A 71 -11.921 5.064 -8.558 1.00 0.00 C ATOM 915 CD1 TRP A 71 -12.931 4.805 -7.678 1.00 0.00 C ATOM 916 CD2 TRP A 71 -10.788 4.308 -8.099 1.00 0.00 C ATOM 917 NE1 TRP A 71 -12.498 3.944 -6.700 1.00 0.00 N ATOM 918 CE2 TRP A 71 -11.185 3.628 -6.933 1.00 0.00 C ATOM 919 CE3 TRP A 71 -9.477 4.144 -8.557 1.00 0.00 C ATOM 920 CZ2 TRP A 71 -10.320 2.803 -6.217 1.00 0.00 C ATOM 921 CZ3 TRP A 71 -8.620 3.322 -7.849 1.00 0.00 C ATOM 922 CH2 TRP A 71 -9.043 2.665 -6.688 1.00 0.00 C ATOM 0 H TRP A 71 -12.299 8.434 -9.746 1.00 0.00 H new ATOM 0 HA TRP A 71 -10.210 6.879 -8.942 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -12.921 6.533 -9.716 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -12.018 5.361 -10.656 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -13.927 5.218 -7.742 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.062 3.596 -5.925 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.140 4.651 -9.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -10.646 2.291 -5.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -7.607 3.185 -8.198 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -8.347 2.036 -6.153 1.00 0.00 H new ATOM 933 N ASP A 72 -10.376 6.994 -12.226 1.00 0.00 N ATOM 934 CA ASP A 72 -9.635 6.717 -13.458 1.00 0.00 C ATOM 935 C ASP A 72 -8.196 7.226 -13.393 1.00 0.00 C ATOM 936 O ASP A 72 -7.295 6.635 -13.985 1.00 0.00 O ATOM 937 CB ASP A 72 -10.339 7.342 -14.657 1.00 0.00 C ATOM 938 CG ASP A 72 -11.606 6.603 -15.030 1.00 0.00 C ATOM 939 OD1 ASP A 72 -11.512 5.566 -15.726 1.00 0.00 O ATOM 940 OD2 ASP A 72 -12.695 7.039 -14.614 1.00 0.00 O ATOM 0 H ASP A 72 -11.233 7.530 -12.364 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.605 5.633 -13.571 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.580 8.381 -14.433 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.661 7.349 -15.510 1.00 0.00 H new ATOM 945 N ALA A 73 -7.976 8.309 -12.662 1.00 0.00 N ATOM 946 CA ALA A 73 -6.646 8.877 -12.538 1.00 0.00 C ATOM 947 C ALA A 73 -5.824 8.066 -11.551 1.00 0.00 C ATOM 948 O ALA A 73 -4.618 7.904 -11.710 1.00 0.00 O ATOM 949 CB ALA A 73 -6.728 10.334 -12.101 1.00 0.00 C ATOM 0 H ALA A 73 -8.701 8.809 -12.148 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.156 8.841 -13.511 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.722 10.745 -12.013 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.289 10.905 -12.841 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.231 10.397 -11.136 1.00 0.00 H new ATOM 955 N LEU A 74 -6.499 7.531 -10.547 1.00 0.00 N ATOM 956 CA LEU A 74 -5.836 6.780 -9.492 1.00 0.00 C ATOM 957 C LEU A 74 -5.331 5.450 -10.022 1.00 0.00 C ATOM 958 O LEU A 74 -4.192 5.053 -9.781 1.00 0.00 O ATOM 959 CB LEU A 74 -6.790 6.563 -8.319 1.00 0.00 C ATOM 960 CG LEU A 74 -7.506 7.830 -7.849 1.00 0.00 C ATOM 961 CD1 LEU A 74 -8.334 7.566 -6.601 1.00 0.00 C ATOM 962 CD2 LEU A 74 -6.494 8.932 -7.609 1.00 0.00 C ATOM 0 H LEU A 74 -7.511 7.603 -10.440 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.979 7.355 -9.141 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.537 5.822 -8.605 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.230 6.144 -7.483 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.195 8.150 -8.631 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.830 8.486 -6.292 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.083 6.804 -6.816 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.683 7.218 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.009 9.832 -7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.785 8.614 -6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.959 9.143 -8.535 1.00 0.00 H new ATOM 974 N LYS A 75 -6.187 4.779 -10.770 1.00 0.00 N ATOM 975 CA LYS A 75 -5.839 3.514 -11.389 1.00 0.00 C ATOM 976 C LYS A 75 -4.803 3.718 -12.494 1.00 0.00 C ATOM 977 O LYS A 75 -3.946 2.865 -12.716 1.00 0.00 O ATOM 978 CB LYS A 75 -7.103 2.851 -11.937 1.00 0.00 C ATOM 979 CG LYS A 75 -7.942 3.793 -12.777 1.00 0.00 C ATOM 980 CD LYS A 75 -9.308 3.212 -13.100 1.00 0.00 C ATOM 981 CE LYS A 75 -10.130 2.966 -11.852 1.00 0.00 C ATOM 982 NZ LYS A 75 -11.443 2.350 -12.170 1.00 0.00 N ATOM 0 H LYS A 75 -7.138 5.093 -10.965 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.394 2.859 -10.640 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.823 1.986 -12.539 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.703 2.480 -11.106 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.067 4.737 -12.246 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.415 4.016 -13.705 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.845 3.894 -13.759 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.184 2.275 -13.643 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.577 2.315 -11.175 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.288 3.909 -11.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.977 2.197 -11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.981 2.983 -12.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.292 1.438 -12.647 1.00 0.00 H new ATOM 996 N ALA A 76 -4.877 4.861 -13.177 1.00 0.00 N ATOM 997 CA ALA A 76 -3.901 5.197 -14.208 1.00 0.00 C ATOM 998 C ALA A 76 -2.527 5.435 -13.591 1.00 0.00 C ATOM 999 O ALA A 76 -1.500 5.087 -14.177 1.00 0.00 O ATOM 1000 CB ALA A 76 -4.350 6.422 -14.992 1.00 0.00 C ATOM 0 H ALA A 76 -5.600 5.566 -13.034 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.828 4.354 -14.896 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.609 6.657 -15.756 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.309 6.218 -15.467 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.454 7.270 -14.315 1.00 0.00 H new ATOM 1006 N ALA A 77 -2.512 6.025 -12.404 1.00 0.00 N ATOM 1007 CA ALA A 77 -1.266 6.256 -11.696 1.00 0.00 C ATOM 1008 C ALA A 77 -0.676 4.948 -11.209 1.00 0.00 C ATOM 1009 O ALA A 77 0.504 4.686 -11.414 1.00 0.00 O ATOM 1010 CB ALA A 77 -1.469 7.208 -10.539 1.00 0.00 C ATOM 0 H ALA A 77 -3.346 6.350 -11.915 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.564 6.713 -12.393 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.520 7.364 -10.025 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.840 8.162 -10.914 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.193 6.785 -9.843 1.00 0.00 H new ATOM 1016 N ALA A 78 -1.503 4.135 -10.561 1.00 0.00 N ATOM 1017 CA ALA A 78 -1.107 2.788 -10.169 1.00 0.00 C ATOM 1018 C ALA A 78 -0.562 2.021 -11.369 1.00 0.00 C ATOM 1019 O ALA A 78 0.367 1.229 -11.242 1.00 0.00 O ATOM 1020 CB ALA A 78 -2.287 2.049 -9.558 1.00 0.00 C ATOM 0 H ALA A 78 -2.455 4.387 -10.295 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.318 2.862 -9.421 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.977 1.044 -9.270 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.637 2.588 -8.677 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.094 1.985 -10.288 1.00 0.00 H new ATOM 1026 N HIS A 79 -1.125 2.301 -12.537 1.00 0.00 N ATOM 1027 CA HIS A 79 -0.720 1.652 -13.776 1.00 0.00 C ATOM 1028 C HIS A 79 0.709 2.040 -14.140 1.00 0.00 C ATOM 1029 O HIS A 79 1.543 1.176 -14.413 1.00 0.00 O ATOM 1030 CB HIS A 79 -1.681 2.047 -14.898 1.00 0.00 C ATOM 1031 CG HIS A 79 -1.409 1.376 -16.206 1.00 0.00 C ATOM 1032 ND1 HIS A 79 -2.102 0.268 -16.638 1.00 0.00 N ATOM 1033 CD2 HIS A 79 -0.530 1.678 -17.189 1.00 0.00 C ATOM 1034 CE1 HIS A 79 -1.662 -0.085 -17.830 1.00 0.00 C ATOM 1035 NE2 HIS A 79 -0.709 0.755 -18.186 1.00 0.00 N ATOM 0 H HIS A 79 -1.874 2.984 -12.652 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.754 0.571 -13.639 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.699 1.813 -14.588 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.631 3.127 -15.040 1.00 0.00 H new ATOM 0 HD2 HIS A 79 0.179 2.493 -17.188 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.021 -0.919 -18.415 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -0.189 0.723 -19.063 1.00 0.00 H new ATOM 1044 N ALA A 80 0.978 3.341 -14.156 1.00 0.00 N ATOM 1045 CA ALA A 80 2.313 3.842 -14.437 1.00 0.00 C ATOM 1046 C ALA A 80 3.289 3.403 -13.358 1.00 0.00 C ATOM 1047 O ALA A 80 4.375 2.918 -13.656 1.00 0.00 O ATOM 1048 CB ALA A 80 2.298 5.353 -14.543 1.00 0.00 C ATOM 0 H ALA A 80 0.285 4.068 -13.977 1.00 0.00 H new ATOM 0 HA ALA A 80 2.640 3.426 -15.390 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.305 5.713 -14.754 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.629 5.655 -15.349 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.949 5.780 -13.603 1.00 0.00 H new ATOM 1054 N PHE A 81 2.884 3.564 -12.107 1.00 0.00 N ATOM 1055 CA PHE A 81 3.711 3.195 -10.971 1.00 0.00 C ATOM 1056 C PHE A 81 4.064 1.702 -11.002 1.00 0.00 C ATOM 1057 O PHE A 81 5.163 1.312 -10.600 1.00 0.00 O ATOM 1058 CB PHE A 81 3.008 3.612 -9.671 1.00 0.00 C ATOM 1059 CG PHE A 81 3.532 2.947 -8.428 1.00 0.00 C ATOM 1060 CD1 PHE A 81 4.846 3.112 -8.039 1.00 0.00 C ATOM 1061 CD2 PHE A 81 2.699 2.165 -7.647 1.00 0.00 C ATOM 1062 CE1 PHE A 81 5.325 2.510 -6.890 1.00 0.00 C ATOM 1063 CE2 PHE A 81 3.168 1.558 -6.500 1.00 0.00 C ATOM 1064 CZ PHE A 81 4.485 1.730 -6.121 1.00 0.00 C ATOM 0 H PHE A 81 1.976 3.953 -11.853 1.00 0.00 H new ATOM 0 HA PHE A 81 4.660 3.728 -11.024 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.101 4.692 -9.555 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.944 3.392 -9.763 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.508 3.719 -8.639 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.668 2.028 -7.939 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.354 2.650 -6.595 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.507 0.950 -5.900 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.857 1.255 -5.225 1.00 0.00 H new ATOM 1074 N GLU A 82 3.146 0.873 -11.503 1.00 0.00 N ATOM 1075 CA GLU A 82 3.440 -0.541 -11.742 1.00 0.00 C ATOM 1076 C GLU A 82 4.583 -0.696 -12.740 1.00 0.00 C ATOM 1077 O GLU A 82 5.440 -1.570 -12.601 1.00 0.00 O ATOM 1078 CB GLU A 82 2.221 -1.268 -12.300 1.00 0.00 C ATOM 1079 CG GLU A 82 1.229 -1.731 -11.256 1.00 0.00 C ATOM 1080 CD GLU A 82 0.179 -2.641 -11.854 1.00 0.00 C ATOM 1081 OE1 GLU A 82 -0.718 -2.133 -12.560 1.00 0.00 O ATOM 1082 OE2 GLU A 82 0.265 -3.870 -11.654 1.00 0.00 O ATOM 0 H GLU A 82 2.197 1.155 -11.750 1.00 0.00 H new ATOM 0 HA GLU A 82 3.721 -0.975 -10.782 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.710 -0.607 -13.000 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.560 -2.134 -12.869 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.756 -2.256 -10.459 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.746 -0.866 -10.802 1.00 0.00 H new ATOM 1089 N SER A 83 4.587 0.171 -13.743 1.00 0.00 N ATOM 1090 CA SER A 83 5.572 0.128 -14.813 1.00 0.00 C ATOM 1091 C SER A 83 6.832 0.893 -14.406 1.00 0.00 C ATOM 1092 O SER A 83 7.609 1.330 -15.256 1.00 0.00 O ATOM 1093 CB SER A 83 4.963 0.727 -16.085 1.00 0.00 C ATOM 1094 OG SER A 83 5.808 0.555 -17.207 1.00 0.00 O ATOM 0 H SER A 83 3.906 0.925 -13.837 1.00 0.00 H new ATOM 0 HA SER A 83 5.854 -0.907 -15.006 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.999 0.258 -16.281 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.775 1.790 -15.932 1.00 0.00 H new ATOM 0 HG SER A 83 6.725 0.804 -16.967 1.00 0.00 H new ATOM 1100 N ASN A 84 7.006 1.057 -13.090 1.00 0.00 N ATOM 1101 CA ASN A 84 8.162 1.749 -12.508 1.00 0.00 C ATOM 1102 C ASN A 84 8.076 3.258 -12.702 1.00 0.00 C ATOM 1103 O ASN A 84 8.960 3.995 -12.263 1.00 0.00 O ATOM 1104 CB ASN A 84 9.485 1.218 -13.072 1.00 0.00 C ATOM 1105 CG ASN A 84 9.817 -0.176 -12.575 1.00 0.00 C ATOM 1106 OD1 ASN A 84 9.433 -1.176 -13.180 1.00 0.00 O ATOM 1107 ND2 ASN A 84 10.549 -0.251 -11.474 1.00 0.00 N ATOM 0 H ASN A 84 6.345 0.711 -12.394 1.00 0.00 H new ATOM 0 HA ASN A 84 8.139 1.542 -11.438 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.433 1.208 -14.161 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.291 1.898 -12.798 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.814 -1.162 -11.099 1.00 0.00 H new ATOM 0 HD22 ASN A 84 10.848 0.602 -11.001 1.00 0.00 H new ATOM 1114 N ASP A 85 7.009 3.718 -13.335 1.00 0.00 N ATOM 1115 CA ASP A 85 6.805 5.144 -13.543 1.00 0.00 C ATOM 1116 C ASP A 85 6.275 5.793 -12.272 1.00 0.00 C ATOM 1117 O ASP A 85 5.072 6.002 -12.105 1.00 0.00 O ATOM 1118 CB ASP A 85 5.851 5.390 -14.712 1.00 0.00 C ATOM 1119 CG ASP A 85 6.523 5.196 -16.055 1.00 0.00 C ATOM 1120 OD1 ASP A 85 7.380 6.032 -16.421 1.00 0.00 O ATOM 1121 OD2 ASP A 85 6.200 4.212 -16.748 1.00 0.00 O ATOM 0 H ASP A 85 6.270 3.125 -13.714 1.00 0.00 H new ATOM 0 HA ASP A 85 7.765 5.597 -13.789 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.001 4.712 -14.633 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.457 6.404 -14.649 1.00 0.00 H new ATOM 1126 N HIS A 86 7.199 6.120 -11.382 1.00 0.00 N ATOM 1127 CA HIS A 86 6.872 6.748 -10.114 1.00 0.00 C ATOM 1128 C HIS A 86 6.444 8.190 -10.335 1.00 0.00 C ATOM 1129 O HIS A 86 5.490 8.674 -9.720 1.00 0.00 O ATOM 1130 CB HIS A 86 8.080 6.701 -9.169 1.00 0.00 C ATOM 1131 CG HIS A 86 8.558 5.314 -8.845 1.00 0.00 C ATOM 1132 ND1 HIS A 86 9.695 4.769 -9.394 1.00 0.00 N ATOM 1133 CD2 HIS A 86 8.056 4.370 -8.014 1.00 0.00 C ATOM 1134 CE1 HIS A 86 9.875 3.554 -8.918 1.00 0.00 C ATOM 1135 NE2 HIS A 86 8.897 3.288 -8.079 1.00 0.00 N ATOM 0 H HIS A 86 8.196 5.957 -11.520 1.00 0.00 H new ATOM 0 HA HIS A 86 6.047 6.200 -9.659 1.00 0.00 H new ATOM 0 HB2 HIS A 86 8.901 7.260 -9.619 1.00 0.00 H new ATOM 0 HB3 HIS A 86 7.820 7.209 -8.240 1.00 0.00 H new ATOM 0 HD2 HIS A 86 7.162 4.453 -7.413 1.00 0.00 H new ATOM 0 HE1 HIS A 86 10.687 2.889 -9.173 1.00 0.00 H new ATOM 0 HE2 HIS A 86 8.782 2.417 -7.560 1.00 0.00 H new ATOM 1144 N GLU A 87 7.148 8.858 -11.236 1.00 0.00 N ATOM 1145 CA GLU A 87 6.933 10.275 -11.487 1.00 0.00 C ATOM 1146 C GLU A 87 5.650 10.508 -12.273 1.00 0.00 C ATOM 1147 O GLU A 87 4.987 11.527 -12.091 1.00 0.00 O ATOM 1148 CB GLU A 87 8.142 10.869 -12.205 1.00 0.00 C ATOM 1149 CG GLU A 87 8.468 10.191 -13.516 1.00 0.00 C ATOM 1150 CD GLU A 87 9.936 10.280 -13.849 1.00 0.00 C ATOM 1151 OE1 GLU A 87 10.735 9.603 -13.169 1.00 0.00 O ATOM 1152 OE2 GLU A 87 10.304 11.024 -14.777 1.00 0.00 O ATOM 0 H GLU A 87 7.879 8.437 -11.810 1.00 0.00 H new ATOM 0 HA GLU A 87 6.819 10.783 -10.529 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.959 11.927 -12.390 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.010 10.806 -11.548 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.171 9.144 -13.466 1.00 0.00 H new ATOM 0 HG3 GLU A 87 7.887 10.650 -14.316 1.00 0.00 H new ATOM 1159 N LEU A 88 5.289 9.560 -13.129 1.00 0.00 N ATOM 1160 CA LEU A 88 4.011 9.621 -13.825 1.00 0.00 C ATOM 1161 C LEU A 88 2.871 9.655 -12.825 1.00 0.00 C ATOM 1162 O LEU A 88 2.013 10.532 -12.869 1.00 0.00 O ATOM 1163 CB LEU A 88 3.825 8.422 -14.751 1.00 0.00 C ATOM 1164 CG LEU A 88 4.370 8.589 -16.169 1.00 0.00 C ATOM 1165 CD1 LEU A 88 3.920 7.427 -17.038 1.00 0.00 C ATOM 1166 CD2 LEU A 88 3.907 9.910 -16.766 1.00 0.00 C ATOM 0 H LEU A 88 5.859 8.745 -13.357 1.00 0.00 H new ATOM 0 HA LEU A 88 4.006 10.531 -14.425 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.307 7.557 -14.296 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.760 8.197 -14.815 1.00 0.00 H new ATOM 0 HG LEU A 88 5.459 8.596 -16.127 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.313 7.554 -18.047 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.293 6.493 -16.618 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.831 7.400 -17.073 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.304 10.012 -17.776 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.818 9.932 -16.801 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.267 10.734 -16.150 1.00 0.00 H new ATOM 1178 N ALA A 89 2.893 8.706 -11.902 1.00 0.00 N ATOM 1179 CA ALA A 89 1.824 8.549 -10.935 1.00 0.00 C ATOM 1180 C ALA A 89 1.683 9.772 -10.036 1.00 0.00 C ATOM 1181 O ALA A 89 0.571 10.244 -9.808 1.00 0.00 O ATOM 1182 CB ALA A 89 2.049 7.283 -10.118 1.00 0.00 C ATOM 0 H ALA A 89 3.649 8.028 -11.804 1.00 0.00 H new ATOM 0 HA ALA A 89 0.884 8.455 -11.479 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.243 7.170 -9.393 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.063 6.419 -10.782 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.002 7.353 -9.593 1.00 0.00 H new ATOM 1188 N GLN A 90 2.799 10.307 -9.546 1.00 0.00 N ATOM 1189 CA GLN A 90 2.741 11.474 -8.672 1.00 0.00 C ATOM 1190 C GLN A 90 2.242 12.698 -9.437 1.00 0.00 C ATOM 1191 O GLN A 90 1.535 13.539 -8.883 1.00 0.00 O ATOM 1192 CB GLN A 90 4.100 11.767 -8.024 1.00 0.00 C ATOM 1193 CG GLN A 90 5.222 12.049 -9.006 1.00 0.00 C ATOM 1194 CD GLN A 90 6.476 12.550 -8.316 1.00 0.00 C ATOM 1195 OE1 GLN A 90 6.409 13.224 -7.288 1.00 0.00 O ATOM 1196 NE2 GLN A 90 7.630 12.223 -8.869 1.00 0.00 N ATOM 0 H GLN A 90 3.739 9.958 -9.735 1.00 0.00 H new ATOM 0 HA GLN A 90 2.035 11.247 -7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 90 3.993 12.624 -7.359 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.383 10.916 -7.404 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.454 11.140 -9.561 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.889 12.790 -9.733 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.647 11.663 -9.721 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.505 12.531 -8.444 1.00 0.00 H new ATOM 1205 N ALA A 91 2.586 12.770 -10.720 1.00 0.00 N ATOM 1206 CA ALA A 91 2.160 13.876 -11.569 1.00 0.00 C ATOM 1207 C ALA A 91 0.679 13.761 -11.907 1.00 0.00 C ATOM 1208 O ALA A 91 0.018 14.757 -12.184 1.00 0.00 O ATOM 1209 CB ALA A 91 2.990 13.918 -12.840 1.00 0.00 C ATOM 0 H ALA A 91 3.160 12.073 -11.194 1.00 0.00 H new ATOM 0 HA ALA A 91 2.314 14.805 -11.020 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.660 14.749 -13.463 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.041 14.052 -12.584 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.866 12.983 -13.387 1.00 0.00 H new ATOM 1215 N ILE A 92 0.167 12.540 -11.890 1.00 0.00 N ATOM 1216 CA ILE A 92 -1.245 12.298 -12.152 1.00 0.00 C ATOM 1217 C ILE A 92 -2.099 12.723 -10.959 1.00 0.00 C ATOM 1218 O ILE A 92 -3.030 13.516 -11.103 1.00 0.00 O ATOM 1219 CB ILE A 92 -1.488 10.811 -12.482 1.00 0.00 C ATOM 1220 CG1 ILE A 92 -0.890 10.471 -13.849 1.00 0.00 C ATOM 1221 CG2 ILE A 92 -2.966 10.476 -12.452 1.00 0.00 C ATOM 1222 CD1 ILE A 92 -1.086 9.026 -14.255 1.00 0.00 C ATOM 0 H ILE A 92 0.710 11.698 -11.697 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.537 12.898 -13.014 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.994 10.209 -11.719 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.341 11.116 -14.604 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.177 10.694 -13.835 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.105 9.421 -12.689 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.365 10.681 -11.459 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.492 11.085 -13.187 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.637 8.859 -15.234 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.611 8.374 -13.522 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.152 8.803 -14.302 1.00 0.00 H new ATOM 1234 N ILE A 93 -1.777 12.179 -9.790 1.00 0.00 N ATOM 1235 CA ILE A 93 -2.445 12.539 -8.539 1.00 0.00 C ATOM 1236 C ILE A 93 -2.452 14.048 -8.322 1.00 0.00 C ATOM 1237 O ILE A 93 -3.516 14.670 -8.228 1.00 0.00 O ATOM 1238 CB ILE A 93 -1.743 11.867 -7.337 1.00 0.00 C ATOM 1239 CG1 ILE A 93 -1.561 10.368 -7.589 1.00 0.00 C ATOM 1240 CG2 ILE A 93 -2.515 12.101 -6.054 1.00 0.00 C ATOM 1241 CD1 ILE A 93 -2.762 9.702 -8.210 1.00 0.00 C ATOM 0 H ILE A 93 -1.046 11.476 -9.680 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.474 12.188 -8.613 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.759 12.322 -7.225 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.699 10.221 -8.240 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.333 9.876 -6.643 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.998 11.617 -5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.586 13.172 -5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.517 11.683 -6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.555 8.642 -8.357 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.622 9.815 -7.551 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.979 10.166 -9.172 1.00 0.00 H new ATOM 1253 N ASP A 94 -1.262 14.635 -8.270 1.00 0.00 N ATOM 1254 CA ASP A 94 -1.122 16.070 -8.051 1.00 0.00 C ATOM 1255 C ASP A 94 -1.714 16.852 -9.214 1.00 0.00 C ATOM 1256 O ASP A 94 -2.187 17.977 -9.046 1.00 0.00 O ATOM 1257 CB ASP A 94 0.356 16.431 -7.871 1.00 0.00 C ATOM 1258 CG ASP A 94 0.599 17.930 -7.854 1.00 0.00 C ATOM 1259 OD1 ASP A 94 0.355 18.563 -6.807 1.00 0.00 O ATOM 1260 OD2 ASP A 94 1.049 18.481 -8.883 1.00 0.00 O ATOM 0 H ASP A 94 -0.378 14.138 -8.377 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.667 16.336 -7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.720 15.998 -6.939 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.935 15.983 -8.678 1.00 0.00 H new ATOM 1265 N GLY A 95 -1.716 16.225 -10.382 1.00 0.00 N ATOM 1266 CA GLY A 95 -2.201 16.875 -11.581 1.00 0.00 C ATOM 1267 C GLY A 95 -3.678 17.198 -11.525 1.00 0.00 C ATOM 1268 O GLY A 95 -4.150 18.061 -12.265 1.00 0.00 O ATOM 0 H GLY A 95 -1.387 15.269 -10.520 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.640 17.796 -11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -2.008 16.231 -12.439 1.00 0.00 H new ATOM 1272 N ALA A 96 -4.413 16.519 -10.655 1.00 0.00 N ATOM 1273 CA ALA A 96 -5.835 16.780 -10.524 1.00 0.00 C ATOM 1274 C ALA A 96 -6.069 17.946 -9.584 1.00 0.00 C ATOM 1275 O ALA A 96 -6.714 18.928 -9.942 1.00 0.00 O ATOM 1276 CB ALA A 96 -6.562 15.536 -10.032 1.00 0.00 C ATOM 0 H ALA A 96 -4.051 15.792 -10.037 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.234 17.042 -11.504 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.627 15.750 -9.939 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.415 14.724 -10.744 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.165 15.243 -9.060 1.00 0.00 H new ATOM 1282 N ASN A 97 -5.481 17.816 -8.403 1.00 0.00 N ATOM 1283 CA ASN A 97 -5.629 18.751 -7.278 1.00 0.00 C ATOM 1284 C ASN A 97 -5.415 17.947 -6.015 1.00 0.00 C ATOM 1285 O ASN A 97 -4.958 18.441 -4.982 1.00 0.00 O ATOM 1286 CB ASN A 97 -7.026 19.386 -7.224 1.00 0.00 C ATOM 1287 CG ASN A 97 -7.136 20.477 -6.170 1.00 0.00 C ATOM 1288 OD1 ASN A 97 -7.459 20.210 -5.015 1.00 0.00 O ATOM 1289 ND2 ASN A 97 -6.879 21.713 -6.564 1.00 0.00 N ATOM 0 H ASN A 97 -4.865 17.032 -8.186 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.910 19.563 -7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -7.268 19.805 -8.201 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.765 18.612 -7.017 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.946 22.484 -5.900 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.614 21.895 -7.532 1.00 0.00 H new ATOM 1296 N ILE A 98 -5.752 16.677 -6.162 1.00 0.00 N ATOM 1297 CA ILE A 98 -5.659 15.676 -5.120 1.00 0.00 C ATOM 1298 C ILE A 98 -4.235 15.552 -4.580 1.00 0.00 C ATOM 1299 O ILE A 98 -3.262 15.704 -5.321 1.00 0.00 O ATOM 1300 CB ILE A 98 -6.153 14.323 -5.688 1.00 0.00 C ATOM 1301 CG1 ILE A 98 -7.673 14.229 -5.587 1.00 0.00 C ATOM 1302 CG2 ILE A 98 -5.477 13.137 -5.032 1.00 0.00 C ATOM 1303 CD1 ILE A 98 -8.400 15.127 -6.562 1.00 0.00 C ATOM 0 H ILE A 98 -6.110 16.305 -7.042 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.287 15.978 -4.281 1.00 0.00 H new ATOM 0 HB ILE A 98 -5.873 14.288 -6.741 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.977 13.197 -5.760 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.978 14.485 -4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.860 12.214 -5.467 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.401 13.196 -5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.683 13.147 -3.962 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.476 15.008 -6.434 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.125 16.165 -6.375 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -8.124 14.856 -7.581 1.00 0.00 H new ATOM 1315 N THR A 99 -4.124 15.279 -3.287 1.00 0.00 N ATOM 1316 CA THR A 99 -2.830 15.198 -2.635 1.00 0.00 C ATOM 1317 C THR A 99 -2.717 13.948 -1.765 1.00 0.00 C ATOM 1318 O THR A 99 -3.715 13.280 -1.487 1.00 0.00 O ATOM 1319 CB THR A 99 -2.574 16.427 -1.753 1.00 0.00 C ATOM 1320 OG1 THR A 99 -3.677 16.634 -0.858 1.00 0.00 O ATOM 1321 CG2 THR A 99 -2.354 17.679 -2.584 1.00 0.00 C ATOM 0 H THR A 99 -4.918 15.110 -2.670 1.00 0.00 H new ATOM 0 HA THR A 99 -2.086 15.154 -3.430 1.00 0.00 H new ATOM 0 HB THR A 99 -1.667 16.235 -1.181 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.502 17.420 -0.299 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.176 18.528 -1.923 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.490 17.537 -3.234 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.238 17.872 -3.192 1.00 0.00 H new ATOM 1329 N LEU A 100 -1.490 13.625 -1.370 1.00 0.00 N ATOM 1330 CA LEU A 100 -1.232 12.552 -0.419 1.00 0.00 C ATOM 1331 C LEU A 100 0.042 12.868 0.359 1.00 0.00 C ATOM 1332 O LEU A 100 1.137 12.881 -0.201 1.00 0.00 O ATOM 1333 CB LEU A 100 -1.131 11.198 -1.134 1.00 0.00 C ATOM 1334 CG LEU A 100 -1.282 9.963 -0.243 1.00 0.00 C ATOM 1335 CD1 LEU A 100 -0.050 9.735 0.615 1.00 0.00 C ATOM 1336 CD2 LEU A 100 -2.520 10.110 0.616 1.00 0.00 C ATOM 0 H LEU A 100 -0.649 14.099 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.064 12.482 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.896 11.160 -1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.165 11.145 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.389 9.087 -0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.196 8.849 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.819 9.590 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.113 10.602 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.629 9.231 1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.427 10.999 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.397 10.206 -0.024 1.00 0.00 H new ATOM 1348 N PRO A 101 -0.106 13.114 1.672 1.00 0.00 N ATOM 1349 CA PRO A 101 0.975 13.602 2.546 1.00 0.00 C ATOM 1350 C PRO A 101 2.237 12.732 2.553 1.00 0.00 C ATOM 1351 O PRO A 101 3.352 13.247 2.545 1.00 0.00 O ATOM 1352 CB PRO A 101 0.334 13.604 3.943 1.00 0.00 C ATOM 1353 CG PRO A 101 -0.891 12.768 3.822 1.00 0.00 C ATOM 1354 CD PRO A 101 -1.362 12.956 2.415 1.00 0.00 C ATOM 0 HA PRO A 101 1.329 14.573 2.200 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.016 13.194 4.688 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.087 14.617 4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.673 11.720 4.027 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -1.652 13.081 4.536 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -1.936 12.099 2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.004 13.832 2.316 1.00 0.00 H new ATOM 1362 N HIS A 102 2.051 11.421 2.587 1.00 0.00 N ATOM 1363 CA HIS A 102 3.174 10.481 2.672 1.00 0.00 C ATOM 1364 C HIS A 102 3.961 10.381 1.364 1.00 0.00 C ATOM 1365 O HIS A 102 5.126 9.992 1.364 1.00 0.00 O ATOM 1366 CB HIS A 102 2.688 9.090 3.066 1.00 0.00 C ATOM 1367 CG HIS A 102 2.563 8.876 4.543 1.00 0.00 C ATOM 1368 ND1 HIS A 102 3.111 7.786 5.188 1.00 0.00 N ATOM 1369 CD2 HIS A 102 1.937 9.599 5.501 1.00 0.00 C ATOM 1370 CE1 HIS A 102 2.829 7.852 6.474 1.00 0.00 C ATOM 1371 NE2 HIS A 102 2.117 8.940 6.692 1.00 0.00 N ATOM 0 H HIS A 102 1.133 10.977 2.557 1.00 0.00 H new ATOM 0 HA HIS A 102 3.841 10.875 3.439 1.00 0.00 H new ATOM 0 HB2 HIS A 102 1.718 8.912 2.602 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.377 8.349 2.660 1.00 0.00 H new ATOM 0 HD1 HIS A 102 3.650 7.045 4.740 1.00 0.00 H new ATOM 0 HD2 HIS A 102 1.396 10.523 5.356 1.00 0.00 H new ATOM 0 HE1 HIS A 102 3.131 7.135 7.223 1.00 0.00 H new ATOM 1380 N GLY A 103 3.339 10.758 0.259 1.00 0.00 N ATOM 1381 CA GLY A 103 3.962 10.563 -1.033 1.00 0.00 C ATOM 1382 C GLY A 103 3.699 9.188 -1.614 1.00 0.00 C ATOM 1383 O GLY A 103 4.365 8.768 -2.560 1.00 0.00 O ATOM 0 H GLY A 103 2.417 11.194 0.233 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.595 11.321 -1.726 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.038 10.712 -0.938 1.00 0.00 H new ATOM 1387 N ALA A 104 2.700 8.503 -1.087 1.00 0.00 N ATOM 1388 CA ALA A 104 2.415 7.140 -1.508 1.00 0.00 C ATOM 1389 C ALA A 104 1.374 7.119 -2.612 1.00 0.00 C ATOM 1390 O ALA A 104 0.448 7.923 -2.624 1.00 0.00 O ATOM 1391 CB ALA A 104 1.951 6.305 -0.326 1.00 0.00 C ATOM 0 H ALA A 104 2.073 8.865 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 104 3.335 6.708 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.742 5.288 -0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.732 6.285 0.434 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.046 6.742 0.095 1.00 0.00 H new ATOM 1397 N LEU A 105 1.553 6.191 -3.543 1.00 0.00 N ATOM 1398 CA LEU A 105 0.668 6.059 -4.695 1.00 0.00 C ATOM 1399 C LEU A 105 -0.609 5.350 -4.283 1.00 0.00 C ATOM 1400 O LEU A 105 -1.689 5.621 -4.801 1.00 0.00 O ATOM 1401 CB LEU A 105 1.380 5.267 -5.806 1.00 0.00 C ATOM 1402 CG LEU A 105 0.657 5.194 -7.157 1.00 0.00 C ATOM 1403 CD1 LEU A 105 -0.372 4.073 -7.179 1.00 0.00 C ATOM 1404 CD2 LEU A 105 -0.007 6.523 -7.462 1.00 0.00 C ATOM 0 H LEU A 105 2.313 5.510 -3.522 1.00 0.00 H new ATOM 0 HA LEU A 105 0.415 7.050 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.362 5.711 -5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.544 4.250 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 105 1.399 4.978 -7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.865 4.051 -8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.125 3.119 -7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.114 4.245 -6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.518 6.462 -8.423 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.730 6.756 -6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.749 7.307 -7.502 1.00 0.00 H new ATOM 1416 N THR A 106 -0.471 4.458 -3.323 1.00 0.00 N ATOM 1417 CA THR A 106 -1.551 3.583 -2.924 1.00 0.00 C ATOM 1418 C THR A 106 -2.470 4.254 -1.919 1.00 0.00 C ATOM 1419 O THR A 106 -3.232 3.593 -1.224 1.00 0.00 O ATOM 1420 CB THR A 106 -0.973 2.295 -2.338 1.00 0.00 C ATOM 1421 OG1 THR A 106 -0.089 2.612 -1.252 1.00 0.00 O ATOM 1422 CG2 THR A 106 -0.206 1.544 -3.409 1.00 0.00 C ATOM 0 H THR A 106 0.393 4.320 -2.799 1.00 0.00 H new ATOM 0 HA THR A 106 -2.147 3.349 -3.806 1.00 0.00 H new ATOM 0 HB THR A 106 -1.789 1.671 -1.972 1.00 0.00 H new ATOM 0 HG1 THR A 106 0.629 1.946 -1.210 1.00 0.00 H new ATOM 0 HG21 THR A 106 0.204 0.627 -2.987 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.877 1.297 -4.231 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.607 2.168 -3.780 1.00 0.00 H new ATOM 1430 N GLU A 107 -2.372 5.567 -1.834 1.00 0.00 N ATOM 1431 CA GLU A 107 -3.265 6.360 -1.016 1.00 0.00 C ATOM 1432 C GLU A 107 -3.436 7.712 -1.681 1.00 0.00 C ATOM 1433 O GLU A 107 -2.483 8.240 -2.252 1.00 0.00 O ATOM 1434 CB GLU A 107 -2.714 6.536 0.407 1.00 0.00 C ATOM 1435 CG GLU A 107 -2.393 5.226 1.116 1.00 0.00 C ATOM 1436 CD GLU A 107 -2.117 5.408 2.593 1.00 0.00 C ATOM 1437 OE1 GLU A 107 -1.234 6.220 2.947 1.00 0.00 O ATOM 1438 OE2 GLU A 107 -2.785 4.740 3.411 1.00 0.00 O ATOM 0 H GLU A 107 -1.669 6.113 -2.332 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.225 5.850 -0.930 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.810 7.144 0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.441 7.089 1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.228 4.536 0.990 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -1.525 4.766 0.643 1.00 0.00 H new ATOM 1445 N CYS A 108 -4.642 8.254 -1.655 1.00 0.00 N ATOM 1446 CA CYS A 108 -4.889 9.574 -2.219 1.00 0.00 C ATOM 1447 C CYS A 108 -6.053 10.243 -1.514 1.00 0.00 C ATOM 1448 O CYS A 108 -7.008 9.580 -1.125 1.00 0.00 O ATOM 1449 CB CYS A 108 -5.185 9.488 -3.723 1.00 0.00 C ATOM 1450 SG CYS A 108 -3.845 8.796 -4.720 1.00 0.00 S ATOM 0 H CYS A 108 -5.464 7.804 -1.251 1.00 0.00 H new ATOM 0 HA CYS A 108 -3.987 10.168 -2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.079 8.881 -3.869 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.415 10.488 -4.092 1.00 0.00 H new ATOM 0 HG CYS A 108 -2.907 8.352 -3.938 1.00 0.00 H new ATOM 1456 N TYR A 109 -5.978 11.555 -1.360 1.00 0.00 N ATOM 1457 CA TYR A 109 -7.053 12.302 -0.731 1.00 0.00 C ATOM 1458 C TYR A 109 -7.618 13.305 -1.712 1.00 0.00 C ATOM 1459 O TYR A 109 -6.897 14.151 -2.251 1.00 0.00 O ATOM 1460 CB TYR A 109 -6.563 13.025 0.531 1.00 0.00 C ATOM 1461 CG TYR A 109 -6.046 12.101 1.614 1.00 0.00 C ATOM 1462 CD1 TYR A 109 -6.447 10.775 1.671 1.00 0.00 C ATOM 1463 CD2 TYR A 109 -5.157 12.557 2.578 1.00 0.00 C ATOM 1464 CE1 TYR A 109 -5.984 9.927 2.650 1.00 0.00 C ATOM 1465 CE2 TYR A 109 -4.686 11.714 3.568 1.00 0.00 C ATOM 1466 CZ TYR A 109 -5.103 10.399 3.599 1.00 0.00 C ATOM 1467 OH TYR A 109 -4.635 9.556 4.581 1.00 0.00 O ATOM 0 H TYR A 109 -5.186 12.123 -1.661 1.00 0.00 H new ATOM 0 HA TYR A 109 -7.832 11.598 -0.437 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.771 13.720 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.382 13.620 0.936 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -7.138 10.400 0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -4.828 13.586 2.554 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -6.309 8.897 2.675 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.996 12.083 4.312 1.00 0.00 H new ATOM 0 HH TYR A 109 -4.022 10.046 5.168 1.00 0.00 H new ATOM 1477 N ASP A 110 -8.912 13.188 -1.943 1.00 0.00 N ATOM 1478 CA ASP A 110 -9.606 14.044 -2.884 1.00 0.00 C ATOM 1479 C ASP A 110 -9.932 15.379 -2.238 1.00 0.00 C ATOM 1480 O ASP A 110 -10.181 15.457 -1.031 1.00 0.00 O ATOM 1481 CB ASP A 110 -10.885 13.371 -3.383 1.00 0.00 C ATOM 1482 CG ASP A 110 -11.677 14.272 -4.307 1.00 0.00 C ATOM 1483 OD1 ASP A 110 -12.516 15.041 -3.808 1.00 0.00 O ATOM 1484 OD2 ASP A 110 -11.444 14.228 -5.530 1.00 0.00 O ATOM 0 H ASP A 110 -9.509 12.499 -1.485 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.952 14.217 -3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.629 12.450 -3.906 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.504 13.092 -2.530 1.00 0.00 H new ATOM 1489 N GLU A 111 -9.941 16.416 -3.073 1.00 0.00 N ATOM 1490 CA GLU A 111 -10.044 17.804 -2.637 1.00 0.00 C ATOM 1491 C GLU A 111 -11.299 18.060 -1.812 1.00 0.00 C ATOM 1492 O GLU A 111 -11.340 19.000 -1.019 1.00 0.00 O ATOM 1493 CB GLU A 111 -10.036 18.721 -3.861 1.00 0.00 C ATOM 1494 CG GLU A 111 -11.313 18.660 -4.687 1.00 0.00 C ATOM 1495 CD GLU A 111 -11.144 19.258 -6.067 1.00 0.00 C ATOM 1496 OE1 GLU A 111 -11.174 20.502 -6.193 1.00 0.00 O ATOM 1497 OE2 GLU A 111 -10.984 18.488 -7.036 1.00 0.00 O ATOM 0 H GLU A 111 -9.876 16.313 -4.086 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.187 18.015 -1.998 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.877 19.748 -3.532 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.191 18.455 -4.496 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.631 17.622 -4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -12.107 19.189 -4.161 1.00 0.00 H new ATOM 1504 N LEU A 112 -12.315 17.233 -2.007 1.00 0.00 N ATOM 1505 CA LEU A 112 -13.577 17.388 -1.304 1.00 0.00 C ATOM 1506 C LEU A 112 -13.482 16.837 0.115 1.00 0.00 C ATOM 1507 O LEU A 112 -14.424 16.945 0.900 1.00 0.00 O ATOM 1508 CB LEU A 112 -14.678 16.662 -2.068 1.00 0.00 C ATOM 1509 CG LEU A 112 -14.745 16.991 -3.558 1.00 0.00 C ATOM 1510 CD1 LEU A 112 -15.708 16.052 -4.255 1.00 0.00 C ATOM 1511 CD2 LEU A 112 -15.152 18.440 -3.774 1.00 0.00 C ATOM 0 H LEU A 112 -12.288 16.443 -2.651 1.00 0.00 H new ATOM 0 HA LEU A 112 -13.812 18.451 -1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.533 15.588 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.638 16.905 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 112 -13.753 16.855 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -15.749 16.295 -5.317 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -15.368 15.024 -4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -16.701 16.161 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -15.193 18.651 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -16.134 18.612 -3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.422 19.097 -3.302 1.00 0.00 H new ATOM 1523 N GLY A 113 -12.347 16.233 0.431 1.00 0.00 N ATOM 1524 CA GLY A 113 -12.140 15.676 1.751 1.00 0.00 C ATOM 1525 C GLY A 113 -12.348 14.176 1.777 1.00 0.00 C ATOM 1526 O GLY A 113 -12.754 13.612 2.795 1.00 0.00 O ATOM 0 H GLY A 113 -11.560 16.118 -0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -11.129 15.907 2.087 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -12.825 16.149 2.455 1.00 0.00 H new ATOM 1530 N ASN A 114 -12.073 13.527 0.656 1.00 0.00 N ATOM 1531 CA ASN A 114 -12.251 12.080 0.546 1.00 0.00 C ATOM 1532 C ASN A 114 -10.917 11.362 0.670 1.00 0.00 C ATOM 1533 O ASN A 114 -9.869 11.954 0.430 1.00 0.00 O ATOM 1534 CB ASN A 114 -12.899 11.725 -0.790 1.00 0.00 C ATOM 1535 CG ASN A 114 -14.291 12.309 -0.935 1.00 0.00 C ATOM 1536 OD1 ASN A 114 -14.464 13.436 -1.396 1.00 0.00 O ATOM 1537 ND2 ASN A 114 -15.298 11.549 -0.533 1.00 0.00 N ATOM 0 H ASN A 114 -11.726 13.975 -0.192 1.00 0.00 H new ATOM 0 HA ASN A 114 -12.902 11.758 1.359 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -12.270 12.088 -1.603 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.952 10.641 -0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -16.256 11.894 -0.601 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -15.116 10.619 -0.156 1.00 0.00 H new ATOM 1544 N ARG A 115 -10.954 10.087 1.031 1.00 0.00 N ATOM 1545 CA ARG A 115 -9.732 9.313 1.168 1.00 0.00 C ATOM 1546 C ARG A 115 -9.834 8.000 0.397 1.00 0.00 C ATOM 1547 O ARG A 115 -10.807 7.255 0.525 1.00 0.00 O ATOM 1548 CB ARG A 115 -9.418 9.040 2.645 1.00 0.00 C ATOM 1549 CG ARG A 115 -10.403 8.106 3.324 1.00 0.00 C ATOM 1550 CD ARG A 115 -9.967 7.750 4.735 1.00 0.00 C ATOM 1551 NE ARG A 115 -10.159 8.855 5.673 1.00 0.00 N ATOM 1552 CZ ARG A 115 -9.622 8.892 6.892 1.00 0.00 C ATOM 1553 NH1 ARG A 115 -8.795 7.930 7.279 1.00 0.00 N ATOM 1554 NH2 ARG A 115 -9.905 9.889 7.719 1.00 0.00 N ATOM 0 H ARG A 115 -11.811 9.571 1.233 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.916 9.900 0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.418 8.613 2.720 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -9.402 9.988 3.183 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -11.386 8.576 3.356 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -10.504 7.195 2.735 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -10.531 6.883 5.079 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -8.915 7.463 4.726 1.00 0.00 H new ATOM 0 HE ARG A 115 -10.737 9.642 5.378 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -8.571 7.164 6.644 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -8.383 7.956 8.212 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -10.537 10.633 7.423 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -9.491 9.912 8.651 1.00 0.00 H new ATOM 1568 N TYR A 116 -8.826 7.736 -0.411 1.00 0.00 N ATOM 1569 CA TYR A 116 -8.740 6.504 -1.169 1.00 0.00 C ATOM 1570 C TYR A 116 -7.516 5.726 -0.747 1.00 0.00 C ATOM 1571 O TYR A 116 -6.411 6.265 -0.710 1.00 0.00 O ATOM 1572 CB TYR A 116 -8.661 6.786 -2.667 1.00 0.00 C ATOM 1573 CG TYR A 116 -10.002 6.908 -3.338 1.00 0.00 C ATOM 1574 CD1 TYR A 116 -10.678 8.121 -3.405 1.00 0.00 C ATOM 1575 CD2 TYR A 116 -10.585 5.797 -3.912 1.00 0.00 C ATOM 1576 CE1 TYR A 116 -11.906 8.209 -4.031 1.00 0.00 C ATOM 1577 CE2 TYR A 116 -11.805 5.877 -4.534 1.00 0.00 C ATOM 1578 CZ TYR A 116 -12.462 7.078 -4.597 1.00 0.00 C ATOM 1579 OH TYR A 116 -13.684 7.144 -5.220 1.00 0.00 O ATOM 0 H TYR A 116 -8.042 8.371 -0.560 1.00 0.00 H new ATOM 0 HA TYR A 116 -9.639 5.922 -0.969 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -8.102 7.709 -2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -8.097 5.987 -3.148 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -10.239 9.003 -2.963 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -10.072 4.848 -3.871 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -12.427 9.154 -4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -12.247 4.995 -4.973 1.00 0.00 H new ATOM 0 HH TYR A 116 -13.689 6.543 -5.994 1.00 0.00 H new ATOM 1589 N GLN A 117 -7.715 4.466 -0.420 1.00 0.00 N ATOM 1590 CA GLN A 117 -6.617 3.612 -0.016 1.00 0.00 C ATOM 1591 C GLN A 117 -6.581 2.396 -0.936 1.00 0.00 C ATOM 1592 O GLN A 117 -7.592 1.719 -1.123 1.00 0.00 O ATOM 1593 CB GLN A 117 -6.773 3.174 1.443 1.00 0.00 C ATOM 1594 CG GLN A 117 -7.489 4.180 2.345 1.00 0.00 C ATOM 1595 CD GLN A 117 -6.736 5.488 2.532 1.00 0.00 C ATOM 1596 OE1 GLN A 117 -7.341 6.543 2.711 1.00 0.00 O ATOM 1597 NE2 GLN A 117 -5.415 5.427 2.511 1.00 0.00 N ATOM 0 H GLN A 117 -8.627 4.010 -0.426 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.681 4.165 -0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.321 2.232 1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -5.783 2.978 1.856 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.471 4.395 1.924 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.653 3.724 3.321 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -4.948 4.533 2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -4.863 6.274 2.646 1.00 0.00 H new ATOM 1606 N LEU A 118 -5.424 2.138 -1.520 1.00 0.00 N ATOM 1607 CA LEU A 118 -5.288 1.122 -2.550 1.00 0.00 C ATOM 1608 C LEU A 118 -4.742 -0.183 -1.976 1.00 0.00 C ATOM 1609 O LEU A 118 -3.684 -0.200 -1.338 1.00 0.00 O ATOM 1610 CB LEU A 118 -4.373 1.639 -3.666 1.00 0.00 C ATOM 1611 CG LEU A 118 -4.282 0.756 -4.912 1.00 0.00 C ATOM 1612 CD1 LEU A 118 -5.640 0.644 -5.580 1.00 0.00 C ATOM 1613 CD2 LEU A 118 -3.258 1.316 -5.883 1.00 0.00 C ATOM 0 H LEU A 118 -4.556 2.624 -1.295 1.00 0.00 H new ATOM 0 HA LEU A 118 -6.276 0.914 -2.960 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -4.721 2.627 -3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -3.370 1.765 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 118 -3.962 -0.241 -4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -5.559 0.013 -6.465 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.353 0.203 -4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -5.985 1.636 -5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.205 0.677 -6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -3.552 2.322 -6.182 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -2.281 1.352 -5.401 1.00 0.00 H new ATOM 1625 N PRO A 119 -5.475 -1.289 -2.179 1.00 0.00 N ATOM 1626 CA PRO A 119 -5.061 -2.622 -1.734 1.00 0.00 C ATOM 1627 C PRO A 119 -3.916 -3.199 -2.574 1.00 0.00 C ATOM 1628 O PRO A 119 -3.740 -2.861 -3.746 1.00 0.00 O ATOM 1629 CB PRO A 119 -6.332 -3.472 -1.895 1.00 0.00 C ATOM 1630 CG PRO A 119 -7.435 -2.500 -2.152 1.00 0.00 C ATOM 1631 CD PRO A 119 -6.791 -1.328 -2.824 1.00 0.00 C ATOM 0 HA PRO A 119 -4.675 -2.601 -0.715 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -6.230 -4.177 -2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -6.528 -4.059 -0.997 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -8.205 -2.940 -2.785 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -7.919 -2.201 -1.222 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -6.713 -1.469 -3.902 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -7.351 -0.407 -2.663 1.00 0.00 H new ATOM 1639 N VAL A 120 -3.169 -4.103 -1.954 1.00 0.00 N ATOM 1640 CA VAL A 120 -1.927 -4.636 -2.505 1.00 0.00 C ATOM 1641 C VAL A 120 -2.170 -5.662 -3.608 1.00 0.00 C ATOM 1642 O VAL A 120 -1.296 -5.912 -4.434 1.00 0.00 O ATOM 1643 CB VAL A 120 -1.086 -5.267 -1.378 1.00 0.00 C ATOM 1644 CG1 VAL A 120 -1.209 -6.777 -1.302 1.00 0.00 C ATOM 1645 CG2 VAL A 120 0.346 -4.843 -1.472 1.00 0.00 C ATOM 0 H VAL A 120 -3.410 -4.493 -1.043 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.387 -3.803 -2.954 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.500 -4.887 -0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -0.590 -7.152 -0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -2.249 -7.049 -1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.876 -7.217 -2.242 1.00 0.00 H new ATOM 0 HG21 VAL A 120 0.915 -5.303 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.757 -5.158 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 120 0.410 -3.758 -1.389 1.00 0.00 H new ATOM 1655 N TYR A 121 -3.375 -6.224 -3.618 1.00 0.00 N ATOM 1656 CA TYR A 121 -3.715 -7.352 -4.493 1.00 0.00 C ATOM 1657 C TYR A 121 -3.482 -7.027 -5.970 1.00 0.00 C ATOM 1658 O TYR A 121 -3.169 -7.912 -6.764 1.00 0.00 O ATOM 1659 CB TYR A 121 -5.177 -7.774 -4.286 1.00 0.00 C ATOM 1660 CG TYR A 121 -6.182 -6.862 -4.962 1.00 0.00 C ATOM 1661 CD1 TYR A 121 -6.328 -5.543 -4.565 1.00 0.00 C ATOM 1662 CD2 TYR A 121 -6.973 -7.322 -6.010 1.00 0.00 C ATOM 1663 CE1 TYR A 121 -7.226 -4.703 -5.189 1.00 0.00 C ATOM 1664 CE2 TYR A 121 -7.877 -6.487 -6.637 1.00 0.00 C ATOM 1665 CZ TYR A 121 -8.000 -5.179 -6.223 1.00 0.00 C ATOM 1666 OH TYR A 121 -8.898 -4.343 -6.850 1.00 0.00 O ATOM 0 H TYR A 121 -4.144 -5.915 -3.024 1.00 0.00 H new ATOM 0 HA TYR A 121 -3.054 -8.174 -4.220 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -5.309 -8.788 -4.664 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -5.389 -7.803 -3.217 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -5.727 -5.165 -3.751 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -6.879 -8.347 -6.338 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -7.322 -3.676 -4.868 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -8.485 -6.858 -7.449 1.00 0.00 H new ATOM 0 HH TYR A 121 -9.363 -4.835 -7.558 1.00 0.00 H new ATOM 1676 N CYS A 122 -3.629 -5.760 -6.328 1.00 0.00 N ATOM 1677 CA CYS A 122 -3.565 -5.351 -7.724 1.00 0.00 C ATOM 1678 C CYS A 122 -2.158 -4.892 -8.104 1.00 0.00 C ATOM 1679 O CYS A 122 -1.878 -4.637 -9.275 1.00 0.00 O ATOM 1680 CB CYS A 122 -4.581 -4.228 -7.978 1.00 0.00 C ATOM 1681 SG CYS A 122 -4.671 -3.669 -9.695 1.00 0.00 S ATOM 0 H CYS A 122 -3.793 -4.997 -5.671 1.00 0.00 H new ATOM 0 HA CYS A 122 -3.811 -6.210 -8.347 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -5.568 -4.572 -7.670 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -4.328 -3.377 -7.345 1.00 0.00 H new ATOM 0 HG CYS A 122 -3.491 -3.737 -10.236 1.00 0.00 H new ATOM 1687 N LEU A 123 -1.267 -4.802 -7.120 1.00 0.00 N ATOM 1688 CA LEU A 123 0.072 -4.281 -7.365 1.00 0.00 C ATOM 1689 C LEU A 123 1.154 -5.315 -7.065 1.00 0.00 C ATOM 1690 O LEU A 123 1.987 -5.613 -7.921 1.00 0.00 O ATOM 1691 CB LEU A 123 0.314 -3.028 -6.522 1.00 0.00 C ATOM 1692 CG LEU A 123 -0.615 -1.854 -6.822 1.00 0.00 C ATOM 1693 CD1 LEU A 123 -0.300 -0.693 -5.907 1.00 0.00 C ATOM 1694 CD2 LEU A 123 -0.485 -1.421 -8.272 1.00 0.00 C ATOM 0 H LEU A 123 -1.446 -5.080 -6.155 1.00 0.00 H new ATOM 0 HA LEU A 123 0.132 -4.032 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.211 -3.292 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.344 -2.703 -6.670 1.00 0.00 H new ATOM 0 HG LEU A 123 -1.641 -2.177 -6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -0.969 0.138 -6.130 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -0.436 -1.000 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.733 -0.379 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -1.156 -0.583 -8.463 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.542 -1.115 -8.470 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.748 -2.253 -8.925 1.00 0.00 H new ATOM 1706 N ALA A 124 1.131 -5.867 -5.856 1.00 0.00 N ATOM 1707 CA ALA A 124 2.209 -6.739 -5.407 1.00 0.00 C ATOM 1708 C ALA A 124 1.715 -8.155 -5.120 1.00 0.00 C ATOM 1709 O ALA A 124 0.967 -8.389 -4.168 1.00 0.00 O ATOM 1710 CB ALA A 124 2.868 -6.146 -4.173 1.00 0.00 C ATOM 0 H ALA A 124 0.384 -5.727 -5.175 1.00 0.00 H new ATOM 0 HA ALA A 124 2.941 -6.810 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 124 3.673 -6.801 -3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 124 3.275 -5.164 -4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.129 -6.047 -3.378 1.00 0.00 H new ATOM 1716 N PRO A 125 2.146 -9.115 -5.955 1.00 0.00 N ATOM 1717 CA PRO A 125 1.825 -10.546 -5.794 1.00 0.00 C ATOM 1718 C PRO A 125 2.347 -11.215 -4.494 1.00 0.00 C ATOM 1719 O PRO A 125 1.637 -12.049 -3.932 1.00 0.00 O ATOM 1720 CB PRO A 125 2.479 -11.203 -7.016 1.00 0.00 C ATOM 1721 CG PRO A 125 2.673 -10.098 -7.995 1.00 0.00 C ATOM 1722 CD PRO A 125 2.935 -8.870 -7.177 1.00 0.00 C ATOM 0 HA PRO A 125 0.744 -10.668 -5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 125 3.429 -11.667 -6.752 1.00 0.00 H new ATOM 0 HB3 PRO A 125 1.845 -11.988 -7.428 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.509 -10.309 -8.662 1.00 0.00 H new ATOM 0 HG3 PRO A 125 1.790 -9.970 -8.621 1.00 0.00 H new ATOM 0 HD2 PRO A 125 3.996 -8.750 -6.956 1.00 0.00 H new ATOM 0 HD3 PRO A 125 2.612 -7.965 -7.692 1.00 0.00 H new ATOM 1730 N PRO A 126 3.589 -10.906 -4.003 1.00 0.00 N ATOM 1731 CA PRO A 126 4.170 -11.579 -2.822 1.00 0.00 C ATOM 1732 C PRO A 126 3.190 -11.787 -1.663 1.00 0.00 C ATOM 1733 O PRO A 126 2.932 -12.921 -1.259 1.00 0.00 O ATOM 1734 CB PRO A 126 5.286 -10.627 -2.404 1.00 0.00 C ATOM 1735 CG PRO A 126 5.756 -10.033 -3.681 1.00 0.00 C ATOM 1736 CD PRO A 126 4.537 -9.912 -4.558 1.00 0.00 C ATOM 0 HA PRO A 126 4.493 -12.590 -3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 126 4.921 -9.861 -1.719 1.00 0.00 H new ATOM 0 HB3 PRO A 126 6.089 -11.156 -1.891 1.00 0.00 H new ATOM 0 HG2 PRO A 126 6.213 -9.058 -3.512 1.00 0.00 H new ATOM 0 HG3 PRO A 126 6.512 -10.663 -4.149 1.00 0.00 H new ATOM 0 HD2 PRO A 126 4.122 -8.905 -4.526 1.00 0.00 H new ATOM 0 HD3 PRO A 126 4.774 -10.126 -5.600 1.00 0.00 H new ATOM 1744 N ILE A 127 2.630 -10.701 -1.148 1.00 0.00 N ATOM 1745 CA ILE A 127 1.738 -10.771 0.005 1.00 0.00 C ATOM 1746 C ILE A 127 0.300 -11.066 -0.410 1.00 0.00 C ATOM 1747 O ILE A 127 -0.636 -10.829 0.348 1.00 0.00 O ATOM 1748 CB ILE A 127 1.771 -9.491 0.875 1.00 0.00 C ATOM 1749 CG1 ILE A 127 1.643 -8.207 0.028 1.00 0.00 C ATOM 1750 CG2 ILE A 127 3.032 -9.459 1.728 1.00 0.00 C ATOM 1751 CD1 ILE A 127 2.918 -7.770 -0.671 1.00 0.00 C ATOM 0 H ILE A 127 2.777 -9.759 -1.510 1.00 0.00 H new ATOM 0 HA ILE A 127 2.113 -11.596 0.610 1.00 0.00 H new ATOM 0 HB ILE A 127 0.904 -9.522 1.535 1.00 0.00 H new ATOM 0 HG12 ILE A 127 0.869 -8.361 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 127 1.304 -7.396 0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 127 3.039 -8.553 2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 127 3.052 -10.332 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 127 3.909 -9.470 1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 127 2.727 -6.860 -1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 127 3.693 -7.578 0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 127 3.251 -8.558 -1.347 1.00 0.00 H new