USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1001 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 114 MET CE :methyl 179:sc= -2 (180deg=-1.76) USER MOD Set 1.2: A 118 GLN :FLIP amide:sc= -3.61! C(o=-7.2!,f=-5.6!) USER MOD Set 2.1: A 113 ASN : amide:sc= 0.0214 K(o=0.021,f=-1.2) USER MOD Set 2.2: A 116 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 73 GLN :FLIP amide:sc= 0.556 F(o=-1.3,f=0.55) USER MOD Set 3.2: A 75 SER OG : rot -30:sc=-0.00172 USER MOD Set 4.1: A 55 CYS SG : rot 160:sc= -3.13! USER MOD Set 4.2: A 84 GLN : amide:sc= 0 X(o=-3.1,f=-3.1) USER MOD Set 5.1: A 49 LYS NZ :NH3+ -174:sc= 1.1 (180deg=-0.0428) USER MOD Set 5.2: A 81 GLN : amide:sc= -1.38 K(o=-0.28,f=-16!) USER MOD Set 6.1: A 38 GLN :FLIP amide:sc= -1.74 F(o=-11!,f=-5.8) USER MOD Set 6.2: A 43 ASN :FLIP amide:sc= -4.1! C(o=-11!,f=-5.8!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0.209 X(o=0.21,f=0) USER MOD Single : A 27 THR OG1 : rot -102:sc= 0.927 USER MOD Single : A 28 THR OG1 : rot 78:sc= 1.14 USER MOD Single : A 29 GLN : amide:sc= -0.0361 K(o=-0.036,f=-1.3) USER MOD Single : A 30 CYS SG : rot -106:sc= 0.823 USER MOD Single : A 32 LYS NZ :NH3+ 173:sc= -0.85 (180deg=-0.896) USER MOD Single : A 45 GLN : amide:sc= -2.99 K(o=-3,f=-4.1!) USER MOD Single : A 46 ASN : amide:sc= -0.0326 X(o=-0.033,f=-0.3) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 59 ASN : amide:sc= -11! C(o=-11!,f=-13!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -2.78! C(o=-2.8!,f=-3.7!) USER MOD Single : A 70 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00957) USER MOD Single : A 71 LYS NZ :NH3+ 158:sc= -0.0273 (180deg=-0.269) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -127:sc= -0.0991 (180deg=-3.03!) USER MOD Single : A 86 SER OG : rot -53:sc= 1.11 USER MOD Single : A 87 GLN : amide:sc= -0.0946 K(o=-0.095,f=-1.6) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 110:sc= -1.17 USER MOD Single : A 98 ASN : amide:sc= -2.01! C(o=-2!,f=-6.3!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.284 X(o=-0.28,f=-0.15) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 62:sc= 1.05 USER MOD Single : A 122 MET CE :methyl -146:sc= -2.35 (180deg=-5.08!) USER MOD Single : A 123 ASN : amide:sc=-0.00922 X(o=-0.0092,f=-0.22) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 221 N ASP A 17 -15.311 -2.871 -7.095 1.00 0.00 N ATOM 222 CA ASP A 17 -15.713 -3.523 -5.854 1.00 0.00 C ATOM 223 C ASP A 17 -14.621 -3.399 -4.796 1.00 0.00 C ATOM 224 O ASP A 17 -14.901 -3.114 -3.631 1.00 0.00 O ATOM 225 CB ASP A 17 -16.030 -4.998 -6.108 1.00 0.00 C ATOM 226 CG ASP A 17 -17.202 -5.185 -7.051 1.00 0.00 C ATOM 227 OD1 ASP A 17 -17.130 -4.685 -8.194 1.00 0.00 O ATOM 228 OD2 ASP A 17 -18.191 -5.831 -6.647 1.00 0.00 O ATOM 0 HA ASP A 17 -16.609 -3.025 -5.484 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.151 -5.489 -6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.249 -5.488 -5.159 1.00 0.00 H new ATOM 233 N LEU A 18 -13.377 -3.617 -5.209 1.00 0.00 N ATOM 234 CA LEU A 18 -12.242 -3.530 -4.296 1.00 0.00 C ATOM 235 C LEU A 18 -11.875 -2.076 -4.021 1.00 0.00 C ATOM 236 O LEU A 18 -11.446 -1.733 -2.919 1.00 0.00 O ATOM 237 CB LEU A 18 -11.037 -4.271 -4.879 1.00 0.00 C ATOM 238 CG LEU A 18 -11.293 -5.703 -5.350 1.00 0.00 C ATOM 239 CD1 LEU A 18 -10.230 -6.134 -6.349 1.00 0.00 C ATOM 240 CD2 LEU A 18 -11.332 -6.656 -4.165 1.00 0.00 C ATOM 0 H LEU A 18 -13.129 -3.855 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.528 -3.997 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.655 -3.695 -5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.250 -4.293 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.263 -5.734 -5.846 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.428 -7.156 -6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.251 -5.469 -7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.248 -6.087 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.515 -7.670 -4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.378 -6.622 -3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.131 -6.359 -3.486 1.00 0.00 H new ATOM 252 N GLU A 19 -12.048 -1.226 -5.028 1.00 0.00 N ATOM 253 CA GLU A 19 -11.736 0.192 -4.892 1.00 0.00 C ATOM 254 C GLU A 19 -12.432 0.788 -3.671 1.00 0.00 C ATOM 255 O GLU A 19 -11.780 1.307 -2.766 1.00 0.00 O ATOM 256 CB GLU A 19 -12.154 0.952 -6.153 1.00 0.00 C ATOM 257 CG GLU A 19 -11.813 2.432 -6.112 1.00 0.00 C ATOM 258 CD GLU A 19 -12.083 3.130 -7.431 1.00 0.00 C ATOM 259 OE1 GLU A 19 -13.251 3.498 -7.678 1.00 0.00 O ATOM 260 OE2 GLU A 19 -11.129 3.307 -8.216 1.00 0.00 O ATOM 0 H GLU A 19 -12.402 -1.494 -5.946 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.659 0.290 -4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.668 0.500 -7.018 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.229 0.839 -6.296 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.394 2.913 -5.325 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.762 2.552 -5.851 1.00 0.00 H new ATOM 267 N GLN A 20 -13.758 0.709 -3.657 1.00 0.00 N ATOM 268 CA GLN A 20 -14.543 1.242 -2.549 1.00 0.00 C ATOM 269 C GLN A 20 -14.067 0.666 -1.219 1.00 0.00 C ATOM 270 O GLN A 20 -14.129 1.333 -0.185 1.00 0.00 O ATOM 271 CB GLN A 20 -16.027 0.931 -2.751 1.00 0.00 C ATOM 272 CG GLN A 20 -16.393 -0.513 -2.448 1.00 0.00 C ATOM 273 CD GLN A 20 -17.871 -0.693 -2.165 1.00 0.00 C ATOM 274 OE1 GLN A 20 -18.355 -0.346 -1.087 1.00 0.00 O ATOM 275 NE2 GLN A 20 -18.597 -1.238 -3.134 1.00 0.00 N ATOM 0 H GLN A 20 -14.312 0.282 -4.399 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.406 2.323 -2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.618 1.588 -2.113 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.300 1.158 -3.782 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.110 -1.141 -3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.818 -0.857 -1.588 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.154 -1.511 -4.011 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.598 -1.384 -3.001 1.00 0.00 H new ATOM 284 N ILE A 21 -13.592 -0.574 -1.253 1.00 0.00 N ATOM 285 CA ILE A 21 -13.105 -1.239 -0.050 1.00 0.00 C ATOM 286 C ILE A 21 -11.759 -0.670 0.385 1.00 0.00 C ATOM 287 O ILE A 21 -11.507 -0.482 1.576 1.00 0.00 O ATOM 288 CB ILE A 21 -12.964 -2.757 -0.264 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.312 -3.367 -0.654 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.420 -3.421 0.992 1.00 0.00 C ATOM 291 CD1 ILE A 21 -14.210 -4.791 -1.153 1.00 0.00 C ATOM 0 H ILE A 21 -13.534 -1.139 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.843 -1.058 0.732 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.259 -2.930 -1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -14.977 -3.340 0.209 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.770 -2.751 -1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.326 -4.494 0.825 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.441 -3.004 1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -13.102 -3.242 1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.203 -5.158 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.571 -4.822 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.782 -5.420 -0.373 1.00 0.00 H new ATOM 303 N LEU A 22 -10.896 -0.398 -0.588 1.00 0.00 N ATOM 304 CA LEU A 22 -9.574 0.152 -0.306 1.00 0.00 C ATOM 305 C LEU A 22 -9.679 1.419 0.535 1.00 0.00 C ATOM 306 O LEU A 22 -9.110 1.502 1.624 1.00 0.00 O ATOM 307 CB LEU A 22 -8.836 0.453 -1.612 1.00 0.00 C ATOM 308 CG LEU A 22 -8.269 -0.757 -2.356 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.814 -0.359 -3.752 1.00 0.00 C ATOM 310 CD2 LEU A 22 -7.119 -1.373 -1.574 1.00 0.00 C ATOM 0 H LEU A 22 -11.088 -0.549 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.012 -0.591 0.259 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.519 0.978 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.016 1.137 -1.393 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.058 -1.503 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.413 -1.232 -4.267 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.662 0.035 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.040 0.405 -3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.728 -2.233 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.328 -0.634 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.476 -1.695 -0.596 1.00 0.00 H new ATOM 322 N ILE A 23 -10.412 2.403 0.025 1.00 0.00 N ATOM 323 CA ILE A 23 -10.594 3.665 0.731 1.00 0.00 C ATOM 324 C ILE A 23 -11.108 3.433 2.148 1.00 0.00 C ATOM 325 O ILE A 23 -10.607 4.024 3.104 1.00 0.00 O ATOM 326 CB ILE A 23 -11.575 4.591 -0.013 1.00 0.00 C ATOM 327 CG1 ILE A 23 -11.060 4.887 -1.423 1.00 0.00 C ATOM 328 CG2 ILE A 23 -11.778 5.882 0.764 1.00 0.00 C ATOM 329 CD1 ILE A 23 -12.146 5.315 -2.385 1.00 0.00 C ATOM 0 H ILE A 23 -10.890 2.350 -0.875 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.616 4.145 0.775 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.537 4.085 -0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.305 5.671 -1.368 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.568 3.997 -1.816 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.474 6.525 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.184 5.654 1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.822 6.394 0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.709 5.508 -3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.890 4.523 -2.469 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.623 6.223 -2.015 1.00 0.00 H new ATOM 341 N GLN A 24 -12.108 2.567 2.274 1.00 0.00 N ATOM 342 CA GLN A 24 -12.689 2.256 3.575 1.00 0.00 C ATOM 343 C GLN A 24 -11.629 1.717 4.529 1.00 0.00 C ATOM 344 O GLN A 24 -11.531 2.156 5.675 1.00 0.00 O ATOM 345 CB GLN A 24 -13.820 1.237 3.421 1.00 0.00 C ATOM 346 CG GLN A 24 -15.140 1.854 2.990 1.00 0.00 C ATOM 347 CD GLN A 24 -16.241 0.824 2.830 1.00 0.00 C ATOM 348 OE1 GLN A 24 -17.113 0.692 3.690 1.00 0.00 O ATOM 349 NE2 GLN A 24 -16.208 0.088 1.725 1.00 0.00 N ATOM 0 H GLN A 24 -12.533 2.069 1.492 1.00 0.00 H new ATOM 0 HA GLN A 24 -13.094 3.177 3.994 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.524 0.486 2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.963 0.719 4.369 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.447 2.597 3.726 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -15.000 2.380 2.046 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.467 0.231 1.039 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -16.924 -0.620 1.562 1.00 0.00 H new ATOM 358 N TRP A 25 -10.839 0.763 4.050 1.00 0.00 N ATOM 359 CA TRP A 25 -9.786 0.164 4.861 1.00 0.00 C ATOM 360 C TRP A 25 -8.697 1.182 5.179 1.00 0.00 C ATOM 361 O TRP A 25 -8.445 1.492 6.344 1.00 0.00 O ATOM 362 CB TRP A 25 -9.179 -1.040 4.138 1.00 0.00 C ATOM 363 CG TRP A 25 -7.894 -1.513 4.747 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.684 -1.862 6.051 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.641 -1.688 4.077 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.377 -2.243 6.231 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.716 -2.145 5.035 1.00 0.00 C ATOM 368 CE3 TRP A 25 -6.211 -1.504 2.760 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.388 -2.419 4.717 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.894 -1.776 2.445 1.00 0.00 C ATOM 371 CH2 TRP A 25 -3.995 -2.230 3.420 1.00 0.00 C ATOM 0 H TRP A 25 -10.908 0.388 3.104 1.00 0.00 H new ATOM 0 HA TRP A 25 -10.231 -0.170 5.799 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.898 -1.859 4.144 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -9.003 -0.778 3.095 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.435 -1.841 6.826 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -5.965 -2.549 7.112 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.897 -1.155 2.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.694 -2.768 5.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.551 -1.637 1.430 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.972 -2.435 3.142 1.00 0.00 H new ATOM 382 N ILE A 26 -8.054 1.700 4.138 1.00 0.00 N ATOM 383 CA ILE A 26 -6.993 2.685 4.308 1.00 0.00 C ATOM 384 C ILE A 26 -7.379 3.734 5.345 1.00 0.00 C ATOM 385 O ILE A 26 -6.630 3.998 6.286 1.00 0.00 O ATOM 386 CB ILE A 26 -6.662 3.390 2.979 1.00 0.00 C ATOM 387 CG1 ILE A 26 -6.222 2.367 1.930 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.579 4.438 3.191 1.00 0.00 C ATOM 389 CD1 ILE A 26 -6.323 2.877 0.509 1.00 0.00 C ATOM 0 H ILE A 26 -8.249 1.454 3.168 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.111 2.144 4.652 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.560 3.891 2.617 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.191 2.074 2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.833 1.470 2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.356 4.928 2.243 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.927 5.180 3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.678 3.958 3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.995 2.099 -0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.357 3.143 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.690 3.756 0.392 1.00 0.00 H new ATOM 401 N THR A 27 -8.554 4.331 5.167 1.00 0.00 N ATOM 402 CA THR A 27 -9.040 5.351 6.087 1.00 0.00 C ATOM 403 C THR A 27 -9.103 4.819 7.514 1.00 0.00 C ATOM 404 O THR A 27 -8.878 5.557 8.474 1.00 0.00 O ATOM 405 CB THR A 27 -10.436 5.858 5.678 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.291 4.749 5.380 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.345 6.774 4.467 1.00 0.00 C ATOM 0 H THR A 27 -9.186 4.125 4.394 1.00 0.00 H new ATOM 0 HA THR A 27 -8.333 6.180 6.042 1.00 0.00 H new ATOM 0 HB THR A 27 -10.852 6.424 6.512 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.368 4.647 4.408 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.343 7.120 4.196 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.716 7.632 4.706 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.911 6.228 3.630 1.00 0.00 H new ATOM 415 N THR A 28 -9.411 3.533 7.649 1.00 0.00 N ATOM 416 CA THR A 28 -9.504 2.902 8.959 1.00 0.00 C ATOM 417 C THR A 28 -8.121 2.597 9.522 1.00 0.00 C ATOM 418 O THR A 28 -7.735 3.127 10.564 1.00 0.00 O ATOM 419 CB THR A 28 -10.320 1.597 8.898 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.651 1.872 8.445 1.00 0.00 O ATOM 421 CG2 THR A 28 -10.371 0.926 10.262 1.00 0.00 C ATOM 0 H THR A 28 -9.600 2.908 6.866 1.00 0.00 H new ATOM 0 HA THR A 28 -10.012 3.609 9.614 1.00 0.00 H new ATOM 0 HB THR A 28 -9.831 0.921 8.197 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.647 1.996 7.473 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.953 0.007 10.194 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.358 0.691 10.590 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.839 1.599 10.981 1.00 0.00 H new ATOM 429 N GLN A 29 -7.379 1.741 8.827 1.00 0.00 N ATOM 430 CA GLN A 29 -6.038 1.367 9.259 1.00 0.00 C ATOM 431 C GLN A 29 -5.334 2.542 9.929 1.00 0.00 C ATOM 432 O GLN A 29 -4.834 2.422 11.049 1.00 0.00 O ATOM 433 CB GLN A 29 -5.214 0.875 8.068 1.00 0.00 C ATOM 434 CG GLN A 29 -3.851 0.325 8.456 1.00 0.00 C ATOM 435 CD GLN A 29 -3.944 -0.999 9.189 1.00 0.00 C ATOM 436 OE1 GLN A 29 -4.269 -2.028 8.596 1.00 0.00 O ATOM 437 NE2 GLN A 29 -3.657 -0.980 10.485 1.00 0.00 N ATOM 0 H GLN A 29 -7.684 1.294 7.963 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.130 0.560 9.986 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.774 0.100 7.545 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.078 1.698 7.366 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.246 0.198 7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.337 1.050 9.087 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.392 -0.104 10.936 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.701 -1.841 11.030 1.00 0.00 H new ATOM 446 N CYS A 30 -5.299 3.676 9.239 1.00 0.00 N ATOM 447 CA CYS A 30 -4.654 4.873 9.767 1.00 0.00 C ATOM 448 C CYS A 30 -5.378 5.376 11.011 1.00 0.00 C ATOM 449 O CYS A 30 -6.597 5.242 11.130 1.00 0.00 O ATOM 450 CB CYS A 30 -4.621 5.971 8.703 1.00 0.00 C ATOM 451 SG CYS A 30 -3.831 7.504 9.248 1.00 0.00 S ATOM 0 H CYS A 30 -5.710 3.792 8.313 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.632 4.614 10.043 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.095 5.596 7.825 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -5.642 6.192 8.392 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.740 8.408 9.462 1.00 0.00 H new ATOM 457 N ARG A 31 -4.620 5.953 11.938 1.00 0.00 N ATOM 458 CA ARG A 31 -5.189 6.474 13.175 1.00 0.00 C ATOM 459 C ARG A 31 -5.918 7.791 12.927 1.00 0.00 C ATOM 460 O ARG A 31 -7.058 7.973 13.354 1.00 0.00 O ATOM 461 CB ARG A 31 -4.092 6.675 14.221 1.00 0.00 C ATOM 462 CG ARG A 31 -4.620 6.805 15.641 1.00 0.00 C ATOM 463 CD ARG A 31 -3.532 7.266 16.599 1.00 0.00 C ATOM 464 NE ARG A 31 -3.970 7.208 17.991 1.00 0.00 N ATOM 465 CZ ARG A 31 -4.121 6.075 18.668 1.00 0.00 C ATOM 466 NH1 ARG A 31 -3.871 4.912 18.083 1.00 0.00 N ATOM 467 NH2 ARG A 31 -4.523 6.104 19.932 1.00 0.00 N ATOM 0 H ARG A 31 -3.610 6.071 11.856 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.909 5.746 13.549 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.400 5.834 14.175 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.523 7.570 13.971 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.447 7.514 15.659 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.016 5.845 15.973 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.647 6.642 16.471 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.240 8.287 16.353 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.171 8.086 18.470 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.562 4.886 17.111 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.988 4.043 18.605 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.717 6.997 20.385 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.639 5.233 20.451 1.00 0.00 H new ATOM 481 N LYS A 32 -5.251 8.708 12.234 1.00 0.00 N ATOM 482 CA LYS A 32 -5.834 10.009 11.928 1.00 0.00 C ATOM 483 C LYS A 32 -6.572 9.974 10.593 1.00 0.00 C ATOM 484 O LYS A 32 -6.350 9.083 9.774 1.00 0.00 O ATOM 485 CB LYS A 32 -4.744 11.083 11.892 1.00 0.00 C ATOM 486 CG LYS A 32 -3.788 10.941 10.721 1.00 0.00 C ATOM 487 CD LYS A 32 -3.169 12.275 10.340 1.00 0.00 C ATOM 488 CE LYS A 32 -1.774 12.097 9.760 1.00 0.00 C ATOM 489 NZ LYS A 32 -1.807 11.930 8.280 1.00 0.00 N ATOM 0 H LYS A 32 -4.306 8.574 11.874 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.550 10.252 12.713 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.215 12.065 11.849 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.175 11.043 12.821 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.000 10.233 10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.320 10.528 9.864 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.805 12.778 9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.120 12.918 11.218 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.162 12.962 10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.300 11.226 10.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.835 11.930 7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.268 11.028 8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.341 12.714 7.854 1.00 0.00 H new ATOM 503 N ASP A 33 -7.449 10.949 10.382 1.00 0.00 N ATOM 504 CA ASP A 33 -8.218 11.031 9.146 1.00 0.00 C ATOM 505 C ASP A 33 -7.496 11.891 8.113 1.00 0.00 C ATOM 506 O ASP A 33 -7.758 13.088 7.993 1.00 0.00 O ATOM 507 CB ASP A 33 -9.609 11.604 9.422 1.00 0.00 C ATOM 508 CG ASP A 33 -10.582 10.550 9.911 1.00 0.00 C ATOM 509 OD1 ASP A 33 -10.518 10.192 11.106 1.00 0.00 O ATOM 510 OD2 ASP A 33 -11.409 10.085 9.100 1.00 0.00 O ATOM 0 H ASP A 33 -7.645 11.694 11.051 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.322 10.023 8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.531 12.396 10.167 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.998 12.059 8.512 1.00 0.00 H new ATOM 515 N VAL A 34 -6.585 11.273 7.368 1.00 0.00 N ATOM 516 CA VAL A 34 -5.824 11.981 6.345 1.00 0.00 C ATOM 517 C VAL A 34 -6.717 12.936 5.560 1.00 0.00 C ATOM 518 O VAL A 34 -6.293 14.027 5.182 1.00 0.00 O ATOM 519 CB VAL A 34 -5.154 11.000 5.365 1.00 0.00 C ATOM 520 CG1 VAL A 34 -4.039 10.231 6.057 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.183 10.048 4.776 1.00 0.00 C ATOM 0 H VAL A 34 -6.356 10.283 7.454 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.052 12.551 6.861 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.715 11.574 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.578 9.543 5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.288 10.931 6.425 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.451 9.668 6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.691 9.362 4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.654 9.480 5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.942 10.619 4.241 1.00 0.00 H new ATOM 531 N GLY A 35 -7.955 12.517 5.319 1.00 0.00 N ATOM 532 CA GLY A 35 -8.889 13.348 4.581 1.00 0.00 C ATOM 533 C GLY A 35 -9.717 12.551 3.593 1.00 0.00 C ATOM 534 O GLY A 35 -9.780 12.889 2.411 1.00 0.00 O ATOM 0 H GLY A 35 -8.328 11.617 5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.553 13.854 5.282 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.338 14.123 4.047 1.00 0.00 H new ATOM 538 N ARG A 36 -10.354 11.490 4.077 1.00 0.00 N ATOM 539 CA ARG A 36 -11.181 10.642 3.227 1.00 0.00 C ATOM 540 C ARG A 36 -11.856 11.462 2.132 1.00 0.00 C ATOM 541 O ARG A 36 -12.904 12.074 2.337 1.00 0.00 O ATOM 542 CB ARG A 36 -12.239 9.921 4.065 1.00 0.00 C ATOM 543 CG ARG A 36 -13.098 8.957 3.263 1.00 0.00 C ATOM 544 CD ARG A 36 -14.156 8.298 4.133 1.00 0.00 C ATOM 545 NE ARG A 36 -15.148 9.258 4.610 1.00 0.00 N ATOM 546 CZ ARG A 36 -16.375 8.920 4.990 1.00 0.00 C ATOM 547 NH1 ARG A 36 -16.759 7.652 4.950 1.00 0.00 N ATOM 548 NH2 ARG A 36 -17.220 9.852 5.413 1.00 0.00 N ATOM 0 H ARG A 36 -10.313 11.197 5.053 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.534 9.902 2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.744 9.373 4.866 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.884 10.662 4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.580 9.492 2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.465 8.191 2.814 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.655 7.513 3.565 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.676 7.818 4.986 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.884 10.242 4.654 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.112 6.933 4.627 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.702 7.395 5.242 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.927 10.829 5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -18.162 9.592 5.705 1.00 0.00 H new ATOM 562 N PRO A 37 -11.241 11.477 0.940 1.00 0.00 N ATOM 563 CA PRO A 37 -11.764 12.219 -0.211 1.00 0.00 C ATOM 564 C PRO A 37 -13.041 11.599 -0.768 1.00 0.00 C ATOM 565 O PRO A 37 -13.441 10.508 -0.360 1.00 0.00 O ATOM 566 CB PRO A 37 -10.633 12.125 -1.238 1.00 0.00 C ATOM 567 CG PRO A 37 -9.891 10.885 -0.872 1.00 0.00 C ATOM 568 CD PRO A 37 -9.988 10.772 0.624 1.00 0.00 C ATOM 0 HA PRO A 37 -12.035 13.241 0.052 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.024 12.067 -2.254 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.986 13.001 -1.195 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.326 10.012 -1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.851 10.943 -1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.020 9.731 0.947 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.132 11.233 1.118 1.00 0.00 H new ATOM 576 N GLN A 38 -13.676 12.300 -1.701 1.00 0.00 N ATOM 577 CA GLN A 38 -14.908 11.817 -2.313 1.00 0.00 C ATOM 578 C GLN A 38 -14.649 10.564 -3.143 1.00 0.00 C ATOM 579 O GLN A 38 -13.568 10.370 -3.698 1.00 0.00 O ATOM 580 CB GLN A 38 -15.527 12.906 -3.192 1.00 0.00 C ATOM 581 CG GLN A 38 -14.656 13.302 -4.374 1.00 0.00 C ATOM 582 CD GLN A 38 -13.686 14.417 -4.036 1.00 0.00 C ATOM 583 OE1 GLN A 38 -12.445 14.280 -4.489 1.00 0.00 O flip ATOM 584 NE2 GLN A 38 -14.048 15.391 -3.376 1.00 0.00 N flip ATOM 0 H GLN A 38 -13.358 13.204 -2.050 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.605 11.564 -1.514 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.491 12.558 -3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -15.720 13.788 -2.582 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -14.097 12.431 -4.717 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -15.293 13.618 -5.200 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -15.012 15.455 -3.048 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.384 16.134 -3.157 1.00 0.00 H new ATOM 593 N PRO A 39 -15.664 9.691 -3.230 1.00 0.00 N ATOM 594 CA PRO A 39 -15.571 8.441 -3.990 1.00 0.00 C ATOM 595 C PRO A 39 -15.518 8.680 -5.495 1.00 0.00 C ATOM 596 O PRO A 39 -16.400 9.324 -6.062 1.00 0.00 O ATOM 597 CB PRO A 39 -16.854 7.699 -3.610 1.00 0.00 C ATOM 598 CG PRO A 39 -17.811 8.771 -3.220 1.00 0.00 C ATOM 599 CD PRO A 39 -16.982 9.858 -2.593 1.00 0.00 C ATOM 0 HA PRO A 39 -14.660 7.890 -3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.235 7.114 -4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.681 7.005 -2.788 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.353 9.145 -4.089 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.555 8.394 -2.518 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.400 10.846 -2.788 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.923 9.745 -1.511 1.00 0.00 H new ATOM 607 N GLY A 40 -14.478 8.157 -6.137 1.00 0.00 N ATOM 608 CA GLY A 40 -14.330 8.324 -7.571 1.00 0.00 C ATOM 609 C GLY A 40 -13.049 7.710 -8.097 1.00 0.00 C ATOM 610 O GLY A 40 -12.076 7.558 -7.358 1.00 0.00 O ATOM 0 H GLY A 40 -13.735 7.620 -5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.182 7.869 -8.076 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.346 9.387 -7.813 1.00 0.00 H new ATOM 614 N ARG A 41 -13.048 7.354 -9.378 1.00 0.00 N ATOM 615 CA ARG A 41 -11.877 6.750 -10.002 1.00 0.00 C ATOM 616 C ARG A 41 -10.747 7.767 -10.136 1.00 0.00 C ATOM 617 O ARG A 41 -9.574 7.400 -10.200 1.00 0.00 O ATOM 618 CB ARG A 41 -12.238 6.188 -11.378 1.00 0.00 C ATOM 619 CG ARG A 41 -12.406 7.256 -12.447 1.00 0.00 C ATOM 620 CD ARG A 41 -13.845 7.741 -12.528 1.00 0.00 C ATOM 621 NE ARG A 41 -14.788 6.636 -12.675 1.00 0.00 N ATOM 622 CZ ARG A 41 -16.074 6.719 -12.352 1.00 0.00 C ATOM 623 NH1 ARG A 41 -16.567 7.850 -11.867 1.00 0.00 N ATOM 624 NH2 ARG A 41 -16.869 5.670 -12.515 1.00 0.00 N ATOM 0 H ARG A 41 -13.845 7.474 -10.003 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.536 5.935 -9.363 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.461 5.491 -11.692 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.164 5.618 -11.297 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.749 8.098 -12.228 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.101 6.856 -13.414 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.088 8.307 -11.629 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.951 8.422 -13.372 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.440 5.752 -13.046 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.959 8.659 -11.741 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.555 7.911 -11.620 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.493 4.798 -12.889 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.856 5.735 -12.267 1.00 0.00 H new ATOM 638 N GLU A 42 -11.110 9.045 -10.179 1.00 0.00 N ATOM 639 CA GLU A 42 -10.126 10.114 -10.308 1.00 0.00 C ATOM 640 C GLU A 42 -9.600 10.537 -8.939 1.00 0.00 C ATOM 641 O GLU A 42 -8.407 10.784 -8.771 1.00 0.00 O ATOM 642 CB GLU A 42 -10.740 11.318 -11.025 1.00 0.00 C ATOM 643 CG GLU A 42 -11.911 11.938 -10.281 1.00 0.00 C ATOM 644 CD GLU A 42 -12.538 13.092 -11.039 1.00 0.00 C ATOM 645 OE1 GLU A 42 -12.022 14.224 -10.927 1.00 0.00 O ATOM 646 OE2 GLU A 42 -13.545 12.864 -11.742 1.00 0.00 O ATOM 0 H GLU A 42 -12.077 9.365 -10.126 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.291 9.736 -10.898 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.970 12.076 -11.169 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.073 11.009 -12.016 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.667 11.174 -10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.572 12.289 -9.306 1.00 0.00 H new ATOM 653 N ASN A 43 -10.501 10.618 -7.965 1.00 0.00 N ATOM 654 CA ASN A 43 -10.129 11.012 -6.611 1.00 0.00 C ATOM 655 C ASN A 43 -9.053 10.086 -6.051 1.00 0.00 C ATOM 656 O ASN A 43 -7.918 10.504 -5.820 1.00 0.00 O ATOM 657 CB ASN A 43 -11.356 10.998 -5.698 1.00 0.00 C ATOM 658 CG ASN A 43 -12.567 11.639 -6.347 1.00 0.00 C ATOM 659 OD1 ASN A 43 -13.695 10.939 -6.317 1.00 0.00 O flip ATOM 660 ND2 ASN A 43 -12.490 12.751 -6.869 1.00 0.00 N flip ATOM 0 H ASN A 43 -11.493 10.416 -8.088 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.727 12.024 -6.652 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.594 9.969 -5.429 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.123 11.524 -4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.603 13.254 -6.869 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.314 13.170 -7.301 1.00 0.00 H new ATOM 667 N PHE A 44 -9.418 8.827 -5.837 1.00 0.00 N ATOM 668 CA PHE A 44 -8.485 7.841 -5.304 1.00 0.00 C ATOM 669 C PHE A 44 -7.068 8.108 -5.802 1.00 0.00 C ATOM 670 O PHE A 44 -6.146 8.301 -5.010 1.00 0.00 O ATOM 671 CB PHE A 44 -8.920 6.429 -5.701 1.00 0.00 C ATOM 672 CG PHE A 44 -8.250 5.348 -4.902 1.00 0.00 C ATOM 673 CD1 PHE A 44 -8.620 5.109 -3.588 1.00 0.00 C ATOM 674 CD2 PHE A 44 -7.249 4.572 -5.464 1.00 0.00 C ATOM 675 CE1 PHE A 44 -8.006 4.115 -2.850 1.00 0.00 C ATOM 676 CE2 PHE A 44 -6.631 3.576 -4.731 1.00 0.00 C ATOM 677 CZ PHE A 44 -7.009 3.348 -3.422 1.00 0.00 C ATOM 0 H PHE A 44 -10.353 8.465 -6.024 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.490 7.923 -4.217 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.000 6.343 -5.580 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.704 6.275 -6.758 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.397 5.707 -3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.948 4.747 -6.486 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.305 3.938 -1.827 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.853 2.977 -5.181 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.526 2.572 -2.847 1.00 0.00 H new ATOM 687 N GLN A 45 -6.903 8.116 -7.121 1.00 0.00 N ATOM 688 CA GLN A 45 -5.598 8.358 -7.726 1.00 0.00 C ATOM 689 C GLN A 45 -4.917 9.564 -7.087 1.00 0.00 C ATOM 690 O GLN A 45 -3.762 9.488 -6.672 1.00 0.00 O ATOM 691 CB GLN A 45 -5.744 8.578 -9.233 1.00 0.00 C ATOM 692 CG GLN A 45 -4.426 8.512 -9.988 1.00 0.00 C ATOM 693 CD GLN A 45 -3.750 9.864 -10.103 1.00 0.00 C ATOM 694 OE1 GLN A 45 -3.089 10.322 -9.170 1.00 0.00 O ATOM 695 NE2 GLN A 45 -3.913 10.511 -11.250 1.00 0.00 N ATOM 0 H GLN A 45 -7.656 7.958 -7.791 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.977 7.479 -7.553 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.423 7.827 -9.637 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.204 9.551 -9.407 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.756 7.817 -9.481 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.603 8.113 -10.987 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.469 10.094 -11.996 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.482 11.426 -11.385 1.00 0.00 H new ATOM 704 N ASN A 46 -5.642 10.675 -7.012 1.00 0.00 N ATOM 705 CA ASN A 46 -5.107 11.898 -6.425 1.00 0.00 C ATOM 706 C ASN A 46 -4.842 11.715 -4.934 1.00 0.00 C ATOM 707 O ASN A 46 -3.868 12.243 -4.397 1.00 0.00 O ATOM 708 CB ASN A 46 -6.078 13.061 -6.642 1.00 0.00 C ATOM 709 CG ASN A 46 -6.437 13.249 -8.103 1.00 0.00 C ATOM 710 OD1 ASN A 46 -5.595 13.082 -8.987 1.00 0.00 O ATOM 711 ND2 ASN A 46 -7.691 13.599 -8.364 1.00 0.00 N ATOM 0 H ASN A 46 -6.601 10.754 -7.350 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.162 12.125 -6.919 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.987 12.884 -6.067 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.632 13.979 -6.259 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.991 13.741 -9.329 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.355 13.726 -7.600 1.00 0.00 H new ATOM 718 N TRP A 47 -5.713 10.962 -4.272 1.00 0.00 N ATOM 719 CA TRP A 47 -5.573 10.708 -2.843 1.00 0.00 C ATOM 720 C TRP A 47 -4.203 10.116 -2.527 1.00 0.00 C ATOM 721 O TRP A 47 -3.550 10.517 -1.563 1.00 0.00 O ATOM 722 CB TRP A 47 -6.674 9.762 -2.361 1.00 0.00 C ATOM 723 CG TRP A 47 -6.810 9.720 -0.869 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.671 10.767 -0.003 1.00 0.00 C ATOM 725 CD2 TRP A 47 -7.112 8.572 -0.068 1.00 0.00 C ATOM 726 NE1 TRP A 47 -6.867 10.339 1.287 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.140 8.996 1.274 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.363 7.227 -0.355 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.407 8.123 2.325 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -7.628 6.362 0.689 1.00 0.00 C ATOM 731 CH2 TRP A 47 -7.649 6.812 2.016 1.00 0.00 C ATOM 0 H TRP A 47 -6.524 10.517 -4.702 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.667 11.660 -2.320 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.624 10.070 -2.797 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.466 8.757 -2.728 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.441 11.782 -0.291 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.817 10.926 2.120 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.350 6.871 -1.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.423 8.468 3.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -7.822 5.321 0.479 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -7.860 6.111 2.810 1.00 0.00 H new ATOM 742 N LEU A 48 -3.774 9.160 -3.344 1.00 0.00 N ATOM 743 CA LEU A 48 -2.481 8.513 -3.151 1.00 0.00 C ATOM 744 C LEU A 48 -1.377 9.276 -3.876 1.00 0.00 C ATOM 745 O LEU A 48 -0.228 9.296 -3.434 1.00 0.00 O ATOM 746 CB LEU A 48 -2.532 7.069 -3.653 1.00 0.00 C ATOM 747 CG LEU A 48 -3.774 6.266 -3.262 1.00 0.00 C ATOM 748 CD1 LEU A 48 -3.666 4.836 -3.769 1.00 0.00 C ATOM 749 CD2 LEU A 48 -3.969 6.286 -1.753 1.00 0.00 C ATOM 0 H LEU A 48 -4.302 8.816 -4.146 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.258 8.513 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.459 7.081 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.652 6.544 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.644 6.730 -3.726 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.558 4.280 -3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.576 4.841 -4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.787 4.361 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.857 5.710 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.097 5.847 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.093 7.315 -1.416 1.00 0.00 H new ATOM 761 N LYS A 49 -1.733 9.905 -4.990 1.00 0.00 N ATOM 762 CA LYS A 49 -0.774 10.674 -5.775 1.00 0.00 C ATOM 763 C LYS A 49 0.215 11.399 -4.868 1.00 0.00 C ATOM 764 O LYS A 49 1.428 11.266 -5.026 1.00 0.00 O ATOM 765 CB LYS A 49 -1.504 11.684 -6.663 1.00 0.00 C ATOM 766 CG LYS A 49 -0.572 12.625 -7.408 1.00 0.00 C ATOM 767 CD LYS A 49 -0.332 13.905 -6.627 1.00 0.00 C ATOM 768 CE LYS A 49 0.895 14.646 -7.136 1.00 0.00 C ATOM 769 NZ LYS A 49 0.817 16.107 -6.857 1.00 0.00 N ATOM 0 H LYS A 49 -2.679 9.898 -5.370 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.219 9.980 -6.406 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.115 11.144 -7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.184 12.272 -6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.379 12.126 -7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.999 12.866 -8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.207 14.550 -6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.204 13.669 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.788 14.234 -6.667 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.996 14.486 -8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.621 16.590 -7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.073 16.486 -7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.849 16.266 -5.830 1.00 0.00 H new ATOM 783 N ASP A 50 -0.312 12.164 -3.919 1.00 0.00 N ATOM 784 CA ASP A 50 0.525 12.908 -2.985 1.00 0.00 C ATOM 785 C ASP A 50 1.520 11.983 -2.291 1.00 0.00 C ATOM 786 O ASP A 50 2.699 12.309 -2.161 1.00 0.00 O ATOM 787 CB ASP A 50 -0.342 13.617 -1.943 1.00 0.00 C ATOM 788 CG ASP A 50 -1.400 14.500 -2.576 1.00 0.00 C ATOM 789 OD1 ASP A 50 -1.693 14.310 -3.775 1.00 0.00 O ATOM 790 OD2 ASP A 50 -1.936 15.381 -1.871 1.00 0.00 O ATOM 0 H ASP A 50 -1.315 12.285 -3.776 1.00 0.00 H new ATOM 0 HA ASP A 50 1.083 13.654 -3.551 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.825 12.873 -1.309 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.293 14.222 -1.297 1.00 0.00 H new ATOM 795 N GLY A 51 1.035 10.827 -1.846 1.00 0.00 N ATOM 796 CA GLY A 51 1.895 9.874 -1.170 1.00 0.00 C ATOM 797 C GLY A 51 1.616 9.794 0.318 1.00 0.00 C ATOM 798 O GLY A 51 1.496 8.704 0.878 1.00 0.00 O ATOM 0 H GLY A 51 0.063 10.534 -1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.760 8.888 -1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.937 10.155 -1.327 1.00 0.00 H new ATOM 802 N THR A 52 1.512 10.953 0.962 1.00 0.00 N ATOM 803 CA THR A 52 1.248 11.010 2.394 1.00 0.00 C ATOM 804 C THR A 52 0.351 9.859 2.834 1.00 0.00 C ATOM 805 O THR A 52 0.719 9.070 3.704 1.00 0.00 O ATOM 806 CB THR A 52 0.586 12.343 2.790 1.00 0.00 C ATOM 807 OG1 THR A 52 -0.662 12.493 2.104 1.00 0.00 O ATOM 808 CG2 THR A 52 1.496 13.518 2.462 1.00 0.00 C ATOM 0 H THR A 52 1.607 11.864 0.514 1.00 0.00 H new ATOM 0 HA THR A 52 2.212 10.928 2.897 1.00 0.00 H new ATOM 0 HB THR A 52 0.409 12.330 3.866 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.077 13.342 2.363 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.007 14.448 2.751 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.433 13.416 3.009 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.700 13.532 1.391 1.00 0.00 H new ATOM 816 N VAL A 53 -0.829 9.769 2.227 1.00 0.00 N ATOM 817 CA VAL A 53 -1.779 8.713 2.556 1.00 0.00 C ATOM 818 C VAL A 53 -1.102 7.347 2.560 1.00 0.00 C ATOM 819 O VAL A 53 -1.178 6.607 3.541 1.00 0.00 O ATOM 820 CB VAL A 53 -2.956 8.688 1.563 1.00 0.00 C ATOM 821 CG1 VAL A 53 -3.945 7.595 1.935 1.00 0.00 C ATOM 822 CG2 VAL A 53 -3.641 10.046 1.515 1.00 0.00 C ATOM 0 H VAL A 53 -1.149 10.415 1.505 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.160 8.929 3.554 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.566 8.468 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.770 7.593 1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.443 6.628 1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.332 7.780 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.470 10.010 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.019 10.298 2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.925 10.804 1.196 1.00 0.00 H new ATOM 832 N LEU A 54 -0.439 7.018 1.456 1.00 0.00 N ATOM 833 CA LEU A 54 0.252 5.740 1.331 1.00 0.00 C ATOM 834 C LEU A 54 1.140 5.481 2.544 1.00 0.00 C ATOM 835 O LEU A 54 1.123 4.391 3.117 1.00 0.00 O ATOM 836 CB LEU A 54 1.094 5.716 0.054 1.00 0.00 C ATOM 837 CG LEU A 54 0.321 5.562 -1.256 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.144 6.083 -2.425 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.066 4.108 -1.480 1.00 0.00 C ATOM 0 H LEU A 54 -0.366 7.619 0.635 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.499 4.952 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.671 6.639 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.809 4.897 0.129 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.592 6.153 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.578 5.965 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.370 7.138 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.074 5.519 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.615 4.018 -2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.834 3.495 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.694 3.768 -0.657 1.00 0.00 H new ATOM 851 N CYS A 55 1.913 6.490 2.931 1.00 0.00 N ATOM 852 CA CYS A 55 2.807 6.371 4.078 1.00 0.00 C ATOM 853 C CYS A 55 2.034 5.977 5.332 1.00 0.00 C ATOM 854 O CYS A 55 2.417 5.047 6.041 1.00 0.00 O ATOM 855 CB CYS A 55 3.546 7.690 4.313 1.00 0.00 C ATOM 856 SG CYS A 55 4.545 8.237 2.908 1.00 0.00 S ATOM 0 H CYS A 55 1.939 7.399 2.468 1.00 0.00 H new ATOM 0 HA CYS A 55 3.534 5.588 3.861 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.817 8.465 4.551 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.192 7.582 5.184 1.00 0.00 H new ATOM 0 HG CYS A 55 4.779 9.512 3.012 1.00 0.00 H new ATOM 862 N GLU A 56 0.946 6.691 5.599 1.00 0.00 N ATOM 863 CA GLU A 56 0.121 6.417 6.770 1.00 0.00 C ATOM 864 C GLU A 56 -0.284 4.946 6.817 1.00 0.00 C ATOM 865 O GLU A 56 -0.317 4.334 7.885 1.00 0.00 O ATOM 866 CB GLU A 56 -1.128 7.300 6.760 1.00 0.00 C ATOM 867 CG GLU A 56 -0.888 8.699 7.302 1.00 0.00 C ATOM 868 CD GLU A 56 -0.200 8.691 8.653 1.00 0.00 C ATOM 869 OE1 GLU A 56 -0.561 7.844 9.497 1.00 0.00 O ATOM 870 OE2 GLU A 56 0.699 9.531 8.866 1.00 0.00 O ATOM 0 H GLU A 56 0.615 7.463 5.021 1.00 0.00 H new ATOM 0 HA GLU A 56 0.710 6.644 7.659 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.502 7.374 5.739 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.908 6.819 7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.280 9.260 6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.842 9.220 7.387 1.00 0.00 H new ATOM 877 N LEU A 57 -0.591 4.385 5.653 1.00 0.00 N ATOM 878 CA LEU A 57 -0.994 2.986 5.560 1.00 0.00 C ATOM 879 C LEU A 57 0.103 2.067 6.086 1.00 0.00 C ATOM 880 O LEU A 57 -0.047 1.444 7.138 1.00 0.00 O ATOM 881 CB LEU A 57 -1.326 2.626 4.111 1.00 0.00 C ATOM 882 CG LEU A 57 -1.761 1.182 3.861 1.00 0.00 C ATOM 883 CD1 LEU A 57 -2.975 0.836 4.710 1.00 0.00 C ATOM 884 CD2 LEU A 57 -2.061 0.962 2.385 1.00 0.00 C ATOM 0 H LEU A 57 -0.569 4.877 4.760 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.883 2.848 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.120 3.288 3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.450 2.832 3.497 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.942 0.522 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.271 -0.196 4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.727 0.953 5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.799 1.503 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.369 -0.071 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.863 1.631 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.167 1.168 1.797 1.00 0.00 H new ATOM 896 N ILE A 58 1.206 1.990 5.350 1.00 0.00 N ATOM 897 CA ILE A 58 2.330 1.150 5.745 1.00 0.00 C ATOM 898 C ILE A 58 2.782 1.468 7.166 1.00 0.00 C ATOM 899 O ILE A 58 3.127 0.571 7.934 1.00 0.00 O ATOM 900 CB ILE A 58 3.525 1.321 4.788 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.684 0.419 5.217 1.00 0.00 C ATOM 902 CG2 ILE A 58 3.966 2.777 4.747 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.649 -0.953 4.582 1.00 0.00 C ATOM 0 H ILE A 58 1.346 2.499 4.477 1.00 0.00 H new ATOM 0 HA ILE A 58 1.983 0.118 5.699 1.00 0.00 H new ATOM 0 HB ILE A 58 3.214 1.027 3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.626 0.905 4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.666 0.309 6.301 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.811 2.882 4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.140 3.398 4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.263 3.096 5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.500 -1.538 4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.724 -1.458 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.698 -0.853 3.498 1.00 0.00 H new ATOM 915 N ASN A 59 2.775 2.752 7.510 1.00 0.00 N ATOM 916 CA ASN A 59 3.183 3.189 8.840 1.00 0.00 C ATOM 917 C ASN A 59 2.262 2.610 9.909 1.00 0.00 C ATOM 918 O ASN A 59 2.724 2.101 10.930 1.00 0.00 O ATOM 919 CB ASN A 59 3.179 4.717 8.921 1.00 0.00 C ATOM 920 CG ASN A 59 4.494 5.324 8.471 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.567 4.877 8.877 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.416 6.347 7.629 1.00 0.00 N ATOM 0 H ASN A 59 2.491 3.508 6.886 1.00 0.00 H new ATOM 0 HA ASN A 59 4.194 2.825 9.021 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.371 5.109 8.303 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.973 5.023 9.947 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.267 6.796 7.292 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.505 6.684 7.319 1.00 0.00 H new ATOM 929 N ALA A 60 0.958 2.690 9.666 1.00 0.00 N ATOM 930 CA ALA A 60 -0.027 2.171 10.607 1.00 0.00 C ATOM 931 C ALA A 60 0.314 0.747 11.030 1.00 0.00 C ATOM 932 O ALA A 60 0.434 0.454 12.220 1.00 0.00 O ATOM 933 CB ALA A 60 -1.419 2.223 9.994 1.00 0.00 C ATOM 0 H ALA A 60 0.559 3.109 8.826 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.009 2.800 11.497 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.145 1.833 10.707 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.670 3.255 9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.440 1.619 9.087 1.00 0.00 H new ATOM 939 N LEU A 61 0.469 -0.136 10.049 1.00 0.00 N ATOM 940 CA LEU A 61 0.797 -1.531 10.320 1.00 0.00 C ATOM 941 C LEU A 61 1.966 -1.637 11.294 1.00 0.00 C ATOM 942 O LEU A 61 1.832 -2.194 12.383 1.00 0.00 O ATOM 943 CB LEU A 61 1.136 -2.258 9.017 1.00 0.00 C ATOM 944 CG LEU A 61 0.091 -2.164 7.905 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.745 -2.335 6.543 1.00 0.00 C ATOM 946 CD2 LEU A 61 -1.000 -3.205 8.109 1.00 0.00 C ATOM 0 H LEU A 61 0.373 0.090 9.059 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.074 -2.001 10.775 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.078 -1.862 8.638 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.302 -3.311 9.244 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.366 -1.175 7.945 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.014 -2.265 5.764 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.489 -1.552 6.396 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.229 -3.310 6.492 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.735 -3.123 7.308 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.559 -4.202 8.096 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.489 -3.037 9.069 1.00 0.00 H new ATOM 958 N TYR A 62 3.112 -1.097 10.895 1.00 0.00 N ATOM 959 CA TYR A 62 4.306 -1.130 11.732 1.00 0.00 C ATOM 960 C TYR A 62 4.096 -0.327 13.012 1.00 0.00 C ATOM 961 O TYR A 62 3.474 0.735 13.014 1.00 0.00 O ATOM 962 CB TYR A 62 5.509 -0.582 10.963 1.00 0.00 C ATOM 963 CG TYR A 62 6.204 -1.617 10.108 1.00 0.00 C ATOM 964 CD1 TYR A 62 6.988 -2.609 10.684 1.00 0.00 C ATOM 965 CD2 TYR A 62 6.079 -1.602 8.724 1.00 0.00 C ATOM 966 CE1 TYR A 62 7.626 -3.556 9.907 1.00 0.00 C ATOM 967 CE2 TYR A 62 6.712 -2.546 7.939 1.00 0.00 C ATOM 968 CZ TYR A 62 7.484 -3.521 8.535 1.00 0.00 C ATOM 969 OH TYR A 62 8.118 -4.462 7.756 1.00 0.00 O ATOM 0 H TYR A 62 3.240 -0.631 9.997 1.00 0.00 H new ATOM 0 HA TYR A 62 4.500 -2.168 12.004 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.179 0.240 10.328 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.226 -0.169 11.673 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.100 -2.640 11.758 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.476 -0.839 8.254 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.233 -4.320 10.371 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.603 -2.521 6.865 1.00 0.00 H new ATOM 0 HH TYR A 62 7.914 -4.297 6.812 1.00 0.00 H new ATOM 979 N PRO A 63 4.629 -0.845 14.128 1.00 0.00 N ATOM 980 CA PRO A 63 4.515 -0.193 15.436 1.00 0.00 C ATOM 981 C PRO A 63 5.340 1.087 15.519 1.00 0.00 C ATOM 982 O PRO A 63 6.161 1.364 14.646 1.00 0.00 O ATOM 983 CB PRO A 63 5.060 -1.245 16.405 1.00 0.00 C ATOM 984 CG PRO A 63 5.977 -2.081 15.581 1.00 0.00 C ATOM 985 CD PRO A 63 5.383 -2.108 14.200 1.00 0.00 C ATOM 0 HA PRO A 63 3.492 0.114 15.651 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.589 -0.780 17.237 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.256 -1.844 16.833 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.982 -1.659 15.566 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.060 -3.088 15.990 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.154 -2.160 13.432 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.734 -2.972 14.059 1.00 0.00 H new ATOM 993 N GLU A 64 5.117 1.862 16.576 1.00 0.00 N ATOM 994 CA GLU A 64 5.840 3.112 16.772 1.00 0.00 C ATOM 995 C GLU A 64 7.333 2.923 16.518 1.00 0.00 C ATOM 996 O GLU A 64 7.925 1.930 16.942 1.00 0.00 O ATOM 997 CB GLU A 64 5.616 3.641 18.190 1.00 0.00 C ATOM 998 CG GLU A 64 4.161 3.951 18.501 1.00 0.00 C ATOM 999 CD GLU A 64 3.947 4.359 19.946 1.00 0.00 C ATOM 1000 OE1 GLU A 64 4.252 5.521 20.285 1.00 0.00 O ATOM 1001 OE2 GLU A 64 3.476 3.516 20.737 1.00 0.00 O ATOM 0 H GLU A 64 4.442 1.646 17.309 1.00 0.00 H new ATOM 0 HA GLU A 64 5.456 3.839 16.056 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.983 2.905 18.906 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.209 4.545 18.330 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.816 4.752 17.847 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.552 3.074 18.281 1.00 0.00 H new ATOM 1008 N GLY A 65 7.936 3.882 15.823 1.00 0.00 N ATOM 1009 CA GLY A 65 9.354 3.803 15.524 1.00 0.00 C ATOM 1010 C GLY A 65 9.653 2.856 14.379 1.00 0.00 C ATOM 1011 O GLY A 65 10.337 3.223 13.424 1.00 0.00 O ATOM 0 H GLY A 65 7.468 4.713 15.461 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.726 4.797 15.276 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.892 3.474 16.413 1.00 0.00 H new ATOM 1015 N GLN A 66 9.139 1.633 14.475 1.00 0.00 N ATOM 1016 CA GLN A 66 9.358 0.630 13.439 1.00 0.00 C ATOM 1017 C GLN A 66 8.993 1.180 12.064 1.00 0.00 C ATOM 1018 O GLN A 66 9.672 0.904 11.075 1.00 0.00 O ATOM 1019 CB GLN A 66 8.535 -0.625 13.734 1.00 0.00 C ATOM 1020 CG GLN A 66 9.233 -1.605 14.663 1.00 0.00 C ATOM 1021 CD GLN A 66 8.694 -3.016 14.534 1.00 0.00 C ATOM 1022 OE1 GLN A 66 8.405 -3.485 13.432 1.00 0.00 O ATOM 1023 NE2 GLN A 66 8.556 -3.703 15.662 1.00 0.00 N ATOM 0 H GLN A 66 8.569 1.314 15.258 1.00 0.00 H new ATOM 0 HA GLN A 66 10.417 0.370 13.437 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.584 -0.330 14.178 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.305 -1.128 12.795 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.301 -1.607 14.447 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.117 -1.269 15.693 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.808 -3.276 16.553 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.198 -4.658 15.637 1.00 0.00 H new ATOM 1032 N ALA A 67 7.918 1.959 12.009 1.00 0.00 N ATOM 1033 CA ALA A 67 7.465 2.548 10.755 1.00 0.00 C ATOM 1034 C ALA A 67 8.646 2.951 9.879 1.00 0.00 C ATOM 1035 O ALA A 67 9.536 3.692 10.298 1.00 0.00 O ATOM 1036 CB ALA A 67 6.574 3.751 11.030 1.00 0.00 C ATOM 0 H ALA A 67 7.345 2.197 12.818 1.00 0.00 H new ATOM 0 HA ALA A 67 6.888 1.797 10.216 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.242 4.182 10.085 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.706 3.436 11.610 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.134 4.498 11.592 1.00 0.00 H new ATOM 1042 N PRO A 68 8.658 2.453 8.634 1.00 0.00 N ATOM 1043 CA PRO A 68 9.725 2.748 7.674 1.00 0.00 C ATOM 1044 C PRO A 68 9.693 4.196 7.198 1.00 0.00 C ATOM 1045 O PRO A 68 10.729 4.776 6.871 1.00 0.00 O ATOM 1046 CB PRO A 68 9.428 1.797 6.511 1.00 0.00 C ATOM 1047 CG PRO A 68 7.965 1.532 6.603 1.00 0.00 C ATOM 1048 CD PRO A 68 7.630 1.564 8.068 1.00 0.00 C ATOM 0 HA PRO A 68 10.715 2.614 8.111 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.689 2.248 5.554 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.004 0.875 6.596 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.397 2.285 6.056 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.715 0.565 6.167 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.625 1.949 8.242 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.671 0.569 8.511 1.00 0.00 H new ATOM 1056 N VAL A 69 8.498 4.777 7.164 1.00 0.00 N ATOM 1057 CA VAL A 69 8.332 6.159 6.730 1.00 0.00 C ATOM 1058 C VAL A 69 7.946 7.059 7.899 1.00 0.00 C ATOM 1059 O VAL A 69 6.789 7.092 8.317 1.00 0.00 O ATOM 1060 CB VAL A 69 7.260 6.277 5.631 1.00 0.00 C ATOM 1061 CG1 VAL A 69 7.050 7.733 5.243 1.00 0.00 C ATOM 1062 CG2 VAL A 69 7.647 5.444 4.418 1.00 0.00 C ATOM 0 H VAL A 69 7.631 4.312 7.432 1.00 0.00 H new ATOM 0 HA VAL A 69 9.292 6.482 6.327 1.00 0.00 H new ATOM 0 HB VAL A 69 6.319 5.891 6.023 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.289 7.796 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.725 8.299 6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.986 8.149 4.869 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.878 5.539 3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.599 5.797 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.741 4.398 4.710 1.00 0.00 H new ATOM 1072 N LYS A 70 8.924 7.790 8.423 1.00 0.00 N ATOM 1073 CA LYS A 70 8.689 8.693 9.543 1.00 0.00 C ATOM 1074 C LYS A 70 8.379 10.103 9.050 1.00 0.00 C ATOM 1075 O LYS A 70 7.378 10.703 9.441 1.00 0.00 O ATOM 1076 CB LYS A 70 9.909 8.722 10.467 1.00 0.00 C ATOM 1077 CG LYS A 70 10.314 7.352 10.983 1.00 0.00 C ATOM 1078 CD LYS A 70 11.037 7.449 12.316 1.00 0.00 C ATOM 1079 CE LYS A 70 11.572 6.096 12.760 1.00 0.00 C ATOM 1080 NZ LYS A 70 11.962 6.099 14.197 1.00 0.00 N ATOM 0 H LYS A 70 9.888 7.775 8.089 1.00 0.00 H new ATOM 0 HA LYS A 70 7.828 8.324 10.100 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.750 9.162 9.931 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.696 9.372 11.316 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.428 6.727 11.094 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.959 6.863 10.253 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.861 8.158 12.233 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.356 7.838 13.073 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.813 5.332 12.591 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.435 5.829 12.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.274 5.146 14.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.739 6.774 14.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.146 6.379 14.778 1.00 0.00 H new ATOM 1094 N LYS A 71 9.244 10.626 8.187 1.00 0.00 N ATOM 1095 CA LYS A 71 9.061 11.964 7.637 1.00 0.00 C ATOM 1096 C LYS A 71 7.808 12.030 6.770 1.00 0.00 C ATOM 1097 O LYS A 71 7.862 11.783 5.565 1.00 0.00 O ATOM 1098 CB LYS A 71 10.286 12.371 6.814 1.00 0.00 C ATOM 1099 CG LYS A 71 11.590 12.301 7.589 1.00 0.00 C ATOM 1100 CD LYS A 71 11.924 13.632 8.240 1.00 0.00 C ATOM 1101 CE LYS A 71 11.381 13.710 9.659 1.00 0.00 C ATOM 1102 NZ LYS A 71 12.109 12.798 10.583 1.00 0.00 N ATOM 0 H LYS A 71 10.079 10.144 7.854 1.00 0.00 H new ATOM 0 HA LYS A 71 8.942 12.658 8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.357 11.724 5.940 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.145 13.388 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.518 11.528 8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.398 12.010 6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.005 13.770 8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.507 14.444 7.645 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.461 14.735 10.022 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.321 13.454 9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.989 13.128 11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.727 11.835 10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.120 12.793 10.341 1.00 0.00 H new ATOM 1116 N ILE A 72 6.682 12.366 7.390 1.00 0.00 N ATOM 1117 CA ILE A 72 5.417 12.466 6.674 1.00 0.00 C ATOM 1118 C ILE A 72 4.920 13.908 6.634 1.00 0.00 C ATOM 1119 O ILE A 72 4.319 14.393 7.592 1.00 0.00 O ATOM 1120 CB ILE A 72 4.334 11.580 7.317 1.00 0.00 C ATOM 1121 CG1 ILE A 72 4.848 10.148 7.483 1.00 0.00 C ATOM 1122 CG2 ILE A 72 3.066 11.599 6.476 1.00 0.00 C ATOM 1123 CD1 ILE A 72 3.988 9.299 8.393 1.00 0.00 C ATOM 0 H ILE A 72 6.620 12.574 8.387 1.00 0.00 H new ATOM 0 HA ILE A 72 5.602 12.119 5.657 1.00 0.00 H new ATOM 0 HB ILE A 72 4.098 11.978 8.304 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.903 9.674 6.503 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.863 10.179 7.880 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.310 10.968 6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.692 12.620 6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.286 11.222 5.477 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.412 8.297 8.464 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.953 9.749 9.385 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.979 9.238 7.987 1.00 0.00 H new ATOM 1135 N GLN A 73 5.174 14.585 5.519 1.00 0.00 N ATOM 1136 CA GLN A 73 4.752 15.971 5.355 1.00 0.00 C ATOM 1137 C GLN A 73 4.040 16.168 4.021 1.00 0.00 C ATOM 1138 O GLN A 73 4.599 15.889 2.960 1.00 0.00 O ATOM 1139 CB GLN A 73 5.958 16.908 5.447 1.00 0.00 C ATOM 1140 CG GLN A 73 5.585 18.350 5.750 1.00 0.00 C ATOM 1141 CD GLN A 73 5.341 19.166 4.497 1.00 0.00 C ATOM 1142 OE1 GLN A 73 6.366 19.290 3.662 1.00 0.00 O flip ATOM 1143 NE2 GLN A 73 4.243 19.680 4.281 1.00 0.00 N flip ATOM 0 H GLN A 73 5.669 14.197 4.716 1.00 0.00 H new ATOM 0 HA GLN A 73 4.054 16.210 6.157 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.632 16.545 6.223 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.507 16.873 4.506 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.689 18.367 6.370 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.383 18.813 6.331 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.483 19.559 4.950 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.094 20.227 3.433 1.00 0.00 H new ATOM 1152 N ALA A 74 2.803 16.650 4.081 1.00 0.00 N ATOM 1153 CA ALA A 74 2.015 16.886 2.878 1.00 0.00 C ATOM 1154 C ALA A 74 2.592 18.037 2.061 1.00 0.00 C ATOM 1155 O ALA A 74 2.160 19.182 2.192 1.00 0.00 O ATOM 1156 CB ALA A 74 0.566 17.170 3.243 1.00 0.00 C ATOM 0 H ALA A 74 2.325 16.885 4.951 1.00 0.00 H new ATOM 0 HA ALA A 74 2.054 15.985 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.011 17.344 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.151 16.315 3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.517 18.054 3.879 1.00 0.00 H new ATOM 1162 N SER A 75 3.572 17.726 1.218 1.00 0.00 N ATOM 1163 CA SER A 75 4.212 18.736 0.383 1.00 0.00 C ATOM 1164 C SER A 75 3.381 19.013 -0.866 1.00 0.00 C ATOM 1165 O SER A 75 2.357 18.371 -1.101 1.00 0.00 O ATOM 1166 CB SER A 75 5.618 18.283 -0.015 1.00 0.00 C ATOM 1167 OG SER A 75 6.432 18.083 1.127 1.00 0.00 O ATOM 0 H SER A 75 3.940 16.783 1.095 1.00 0.00 H new ATOM 0 HA SER A 75 4.286 19.657 0.961 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.557 17.358 -0.588 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.074 19.030 -0.664 1.00 0.00 H new ATOM 0 HG SER A 75 6.144 18.686 1.844 1.00 0.00 H new ATOM 1173 N THR A 76 3.830 19.975 -1.666 1.00 0.00 N ATOM 1174 CA THR A 76 3.130 20.340 -2.891 1.00 0.00 C ATOM 1175 C THR A 76 4.014 20.127 -4.114 1.00 0.00 C ATOM 1176 O THR A 76 3.532 19.748 -5.182 1.00 0.00 O ATOM 1177 CB THR A 76 2.666 21.808 -2.857 1.00 0.00 C ATOM 1178 OG1 THR A 76 3.786 22.671 -2.631 1.00 0.00 O ATOM 1179 CG2 THR A 76 1.627 22.022 -1.767 1.00 0.00 C ATOM 0 H THR A 76 4.676 20.516 -1.487 1.00 0.00 H new ATOM 0 HA THR A 76 2.256 19.692 -2.960 1.00 0.00 H new ATOM 0 HB THR A 76 2.214 22.045 -3.820 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.483 23.603 -2.613 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.314 23.066 -1.762 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.763 21.385 -1.958 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.058 21.768 -0.799 1.00 0.00 H new ATOM 1187 N MET A 77 5.310 20.371 -3.952 1.00 0.00 N ATOM 1188 CA MET A 77 6.262 20.203 -5.044 1.00 0.00 C ATOM 1189 C MET A 77 6.004 18.901 -5.794 1.00 0.00 C ATOM 1190 O MET A 77 5.483 17.940 -5.229 1.00 0.00 O ATOM 1191 CB MET A 77 7.695 20.221 -4.508 1.00 0.00 C ATOM 1192 CG MET A 77 8.225 21.620 -4.239 1.00 0.00 C ATOM 1193 SD MET A 77 7.852 22.196 -2.571 1.00 0.00 S ATOM 1194 CE MET A 77 9.097 23.467 -2.365 1.00 0.00 C ATOM 0 H MET A 77 5.725 20.686 -3.075 1.00 0.00 H new ATOM 0 HA MET A 77 6.131 21.034 -5.738 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.737 19.642 -3.586 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.349 19.725 -5.225 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.304 21.630 -4.390 1.00 0.00 H new ATOM 0 HG3 MET A 77 7.795 22.312 -4.963 1.00 0.00 H new ATOM 0 HE1 MET A 77 8.996 23.919 -1.378 1.00 0.00 H new ATOM 0 HE2 MET A 77 10.088 23.024 -2.462 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.965 24.232 -3.130 1.00 0.00 H new ATOM 1204 N ALA A 78 6.372 18.876 -7.071 1.00 0.00 N ATOM 1205 CA ALA A 78 6.182 17.690 -7.898 1.00 0.00 C ATOM 1206 C ALA A 78 7.095 16.555 -7.449 1.00 0.00 C ATOM 1207 O ALA A 78 6.650 15.422 -7.266 1.00 0.00 O ATOM 1208 CB ALA A 78 6.430 18.023 -9.362 1.00 0.00 C ATOM 0 H ALA A 78 6.803 19.663 -7.555 1.00 0.00 H new ATOM 0 HA ALA A 78 5.150 17.358 -7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.285 17.129 -9.968 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.732 18.796 -9.683 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.451 18.383 -9.485 1.00 0.00 H new ATOM 1214 N PHE A 79 8.375 16.866 -7.273 1.00 0.00 N ATOM 1215 CA PHE A 79 9.352 15.871 -6.846 1.00 0.00 C ATOM 1216 C PHE A 79 8.994 15.311 -5.473 1.00 0.00 C ATOM 1217 O PHE A 79 9.095 14.108 -5.234 1.00 0.00 O ATOM 1218 CB PHE A 79 10.754 16.484 -6.810 1.00 0.00 C ATOM 1219 CG PHE A 79 11.695 15.773 -5.881 1.00 0.00 C ATOM 1220 CD1 PHE A 79 12.306 14.590 -6.264 1.00 0.00 C ATOM 1221 CD2 PHE A 79 11.968 16.287 -4.623 1.00 0.00 C ATOM 1222 CE1 PHE A 79 13.174 13.934 -5.411 1.00 0.00 C ATOM 1223 CE2 PHE A 79 12.835 15.635 -3.766 1.00 0.00 C ATOM 1224 CZ PHE A 79 13.437 14.457 -4.160 1.00 0.00 C ATOM 0 H PHE A 79 8.760 17.799 -7.419 1.00 0.00 H new ATOM 0 HA PHE A 79 9.339 15.053 -7.567 1.00 0.00 H new ATOM 0 HB2 PHE A 79 11.172 16.473 -7.816 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.678 17.528 -6.508 1.00 0.00 H new ATOM 0 HD1 PHE A 79 12.102 14.175 -7.240 1.00 0.00 H new ATOM 0 HD2 PHE A 79 11.498 17.207 -4.309 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.646 13.014 -5.722 1.00 0.00 H new ATOM 0 HE2 PHE A 79 13.041 16.047 -2.789 1.00 0.00 H new ATOM 0 HZ PHE A 79 14.113 13.945 -3.491 1.00 0.00 H new ATOM 1234 N LYS A 80 8.575 16.193 -4.572 1.00 0.00 N ATOM 1235 CA LYS A 80 8.200 15.790 -3.222 1.00 0.00 C ATOM 1236 C LYS A 80 7.125 14.709 -3.255 1.00 0.00 C ATOM 1237 O LYS A 80 7.326 13.606 -2.747 1.00 0.00 O ATOM 1238 CB LYS A 80 7.699 16.998 -2.427 1.00 0.00 C ATOM 1239 CG LYS A 80 8.773 18.038 -2.160 1.00 0.00 C ATOM 1240 CD LYS A 80 9.793 17.541 -1.150 1.00 0.00 C ATOM 1241 CE LYS A 80 9.368 17.858 0.275 1.00 0.00 C ATOM 1242 NZ LYS A 80 10.450 17.565 1.255 1.00 0.00 N ATOM 0 H LYS A 80 8.487 17.193 -4.753 1.00 0.00 H new ATOM 0 HA LYS A 80 9.085 15.383 -2.733 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.879 17.466 -2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.294 16.654 -1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.277 18.290 -3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.310 18.953 -1.791 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.922 16.464 -1.261 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.761 18.000 -1.353 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.089 18.909 0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.482 17.276 0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.121 17.794 2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.699 16.556 1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.287 18.139 1.030 1.00 0.00 H new ATOM 1256 N GLN A 81 5.986 15.032 -3.859 1.00 0.00 N ATOM 1257 CA GLN A 81 4.880 14.087 -3.959 1.00 0.00 C ATOM 1258 C GLN A 81 5.371 12.722 -4.430 1.00 0.00 C ATOM 1259 O GLN A 81 5.304 11.739 -3.692 1.00 0.00 O ATOM 1260 CB GLN A 81 3.813 14.617 -4.919 1.00 0.00 C ATOM 1261 CG GLN A 81 3.305 16.004 -4.557 1.00 0.00 C ATOM 1262 CD GLN A 81 2.109 15.962 -3.627 1.00 0.00 C ATOM 1263 OE1 GLN A 81 0.964 15.877 -4.073 1.00 0.00 O ATOM 1264 NE2 GLN A 81 2.367 16.022 -2.326 1.00 0.00 N ATOM 0 H GLN A 81 5.805 15.940 -4.286 1.00 0.00 H new ATOM 0 HA GLN A 81 4.442 13.973 -2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.224 14.641 -5.928 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.972 13.923 -4.934 1.00 0.00 H new ATOM 0 HG2 GLN A 81 4.108 16.569 -4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.033 16.537 -5.468 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.331 16.092 -2.000 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.601 15.998 -1.653 1.00 0.00 H new ATOM 1273 N MET A 82 5.864 12.669 -5.663 1.00 0.00 N ATOM 1274 CA MET A 82 6.368 11.425 -6.232 1.00 0.00 C ATOM 1275 C MET A 82 7.207 10.661 -5.212 1.00 0.00 C ATOM 1276 O MET A 82 6.814 9.592 -4.748 1.00 0.00 O ATOM 1277 CB MET A 82 7.200 11.711 -7.483 1.00 0.00 C ATOM 1278 CG MET A 82 6.385 11.719 -8.766 1.00 0.00 C ATOM 1279 SD MET A 82 7.412 11.583 -10.242 1.00 0.00 S ATOM 1280 CE MET A 82 7.728 13.310 -10.596 1.00 0.00 C ATOM 0 H MET A 82 5.925 13.473 -6.287 1.00 0.00 H new ATOM 0 HA MET A 82 5.513 10.808 -6.507 1.00 0.00 H new ATOM 0 HB2 MET A 82 7.692 12.677 -7.369 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.986 10.960 -7.566 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.674 10.893 -8.745 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.803 12.639 -8.816 1.00 0.00 H new ATOM 0 HE1 MET A 82 7.458 13.525 -11.630 1.00 0.00 H new ATOM 0 HE2 MET A 82 7.133 13.933 -9.928 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.786 13.525 -10.446 1.00 0.00 H new ATOM 1290 N GLU A 83 8.365 11.218 -4.869 1.00 0.00 N ATOM 1291 CA GLU A 83 9.259 10.588 -3.906 1.00 0.00 C ATOM 1292 C GLU A 83 8.473 10.007 -2.733 1.00 0.00 C ATOM 1293 O GLU A 83 8.755 8.902 -2.271 1.00 0.00 O ATOM 1294 CB GLU A 83 10.287 11.598 -3.394 1.00 0.00 C ATOM 1295 CG GLU A 83 11.136 11.075 -2.247 1.00 0.00 C ATOM 1296 CD GLU A 83 12.212 10.113 -2.709 1.00 0.00 C ATOM 1297 OE1 GLU A 83 13.286 10.586 -3.136 1.00 0.00 O ATOM 1298 OE2 GLU A 83 11.981 8.887 -2.644 1.00 0.00 O ATOM 0 H GLU A 83 8.705 12.104 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 83 9.780 9.775 -4.411 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.941 11.887 -4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.767 12.499 -3.069 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.602 11.915 -1.732 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.493 10.575 -1.523 1.00 0.00 H new ATOM 1305 N GLN A 84 7.487 10.761 -2.258 1.00 0.00 N ATOM 1306 CA GLN A 84 6.662 10.322 -1.139 1.00 0.00 C ATOM 1307 C GLN A 84 6.086 8.934 -1.399 1.00 0.00 C ATOM 1308 O GLN A 84 6.026 8.097 -0.497 1.00 0.00 O ATOM 1309 CB GLN A 84 5.529 11.319 -0.892 1.00 0.00 C ATOM 1310 CG GLN A 84 5.038 11.338 0.547 1.00 0.00 C ATOM 1311 CD GLN A 84 5.904 12.195 1.448 1.00 0.00 C ATOM 1312 OE1 GLN A 84 6.004 13.408 1.261 1.00 0.00 O ATOM 1313 NE2 GLN A 84 6.537 11.568 2.433 1.00 0.00 N ATOM 0 H GLN A 84 7.240 11.678 -2.630 1.00 0.00 H new ATOM 0 HA GLN A 84 7.293 10.273 -0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.870 12.318 -1.164 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.694 11.077 -1.549 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.014 11.710 0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.016 10.319 0.933 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.426 10.561 2.551 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.135 12.093 3.071 1.00 0.00 H new ATOM 1322 N ILE A 85 5.664 8.696 -2.636 1.00 0.00 N ATOM 1323 CA ILE A 85 5.093 7.409 -3.014 1.00 0.00 C ATOM 1324 C ILE A 85 6.122 6.291 -2.879 1.00 0.00 C ATOM 1325 O ILE A 85 5.942 5.359 -2.096 1.00 0.00 O ATOM 1326 CB ILE A 85 4.563 7.431 -4.460 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.496 8.517 -4.618 1.00 0.00 C ATOM 1328 CG2 ILE A 85 4.000 6.069 -4.839 1.00 0.00 C ATOM 1329 CD1 ILE A 85 3.173 8.841 -6.060 1.00 0.00 C ATOM 0 H ILE A 85 5.707 9.377 -3.394 1.00 0.00 H new ATOM 0 HA ILE A 85 4.262 7.220 -2.334 1.00 0.00 H new ATOM 0 HB ILE A 85 5.391 7.660 -5.131 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.585 8.196 -4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.835 9.424 -4.117 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.629 6.101 -5.864 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.784 5.316 -4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.182 5.813 -4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.410 9.618 -6.096 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.073 9.193 -6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.803 7.946 -6.560 1.00 0.00 H new ATOM 1341 N SER A 86 7.202 6.392 -3.648 1.00 0.00 N ATOM 1342 CA SER A 86 8.259 5.389 -3.616 1.00 0.00 C ATOM 1343 C SER A 86 8.557 4.959 -2.182 1.00 0.00 C ATOM 1344 O SER A 86 8.644 3.767 -1.887 1.00 0.00 O ATOM 1345 CB SER A 86 9.529 5.934 -4.271 1.00 0.00 C ATOM 1346 OG SER A 86 10.082 6.993 -3.509 1.00 0.00 O ATOM 0 H SER A 86 7.367 7.158 -4.300 1.00 0.00 H new ATOM 0 HA SER A 86 7.916 4.518 -4.175 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.262 5.134 -4.372 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.301 6.286 -5.277 1.00 0.00 H new ATOM 0 HG SER A 86 9.392 7.668 -3.338 1.00 0.00 H new ATOM 1352 N GLN A 87 8.712 5.939 -1.298 1.00 0.00 N ATOM 1353 CA GLN A 87 9.001 5.662 0.105 1.00 0.00 C ATOM 1354 C GLN A 87 8.213 4.451 0.594 1.00 0.00 C ATOM 1355 O GLN A 87 8.766 3.555 1.232 1.00 0.00 O ATOM 1356 CB GLN A 87 8.670 6.883 0.965 1.00 0.00 C ATOM 1357 CG GLN A 87 9.676 8.014 0.829 1.00 0.00 C ATOM 1358 CD GLN A 87 9.425 9.140 1.812 1.00 0.00 C ATOM 1359 OE1 GLN A 87 8.513 9.068 2.637 1.00 0.00 O ATOM 1360 NE2 GLN A 87 10.234 10.190 1.730 1.00 0.00 N ATOM 0 H GLN A 87 8.643 6.930 -1.527 1.00 0.00 H new ATOM 0 HA GLN A 87 10.064 5.440 0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.682 7.252 0.692 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.618 6.578 2.010 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.681 7.621 0.981 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.638 8.408 -0.186 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.977 10.208 1.031 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.112 10.978 2.366 1.00 0.00 H new ATOM 1369 N PHE A 88 6.919 4.432 0.292 1.00 0.00 N ATOM 1370 CA PHE A 88 6.055 3.331 0.703 1.00 0.00 C ATOM 1371 C PHE A 88 6.405 2.053 -0.054 1.00 0.00 C ATOM 1372 O PHE A 88 6.720 1.027 0.551 1.00 0.00 O ATOM 1373 CB PHE A 88 4.587 3.692 0.465 1.00 0.00 C ATOM 1374 CG PHE A 88 3.699 2.495 0.274 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.644 1.497 1.234 1.00 0.00 C ATOM 1376 CD2 PHE A 88 2.920 2.369 -0.864 1.00 0.00 C ATOM 1377 CE1 PHE A 88 2.829 0.395 1.060 1.00 0.00 C ATOM 1378 CE2 PHE A 88 2.102 1.269 -1.043 1.00 0.00 C ATOM 1379 CZ PHE A 88 2.056 0.281 -0.079 1.00 0.00 C ATOM 0 H PHE A 88 6.446 5.166 -0.235 1.00 0.00 H new ATOM 0 HA PHE A 88 6.212 3.156 1.767 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.222 4.274 1.312 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.516 4.331 -0.415 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.245 1.582 2.128 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.952 3.139 -1.621 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.796 -0.377 1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.500 1.182 -1.935 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.417 -0.579 -0.215 1.00 0.00 H new ATOM 1389 N LEU A 89 6.348 2.123 -1.379 1.00 0.00 N ATOM 1390 CA LEU A 89 6.659 0.972 -2.220 1.00 0.00 C ATOM 1391 C LEU A 89 7.932 0.279 -1.746 1.00 0.00 C ATOM 1392 O LEU A 89 7.931 -0.921 -1.470 1.00 0.00 O ATOM 1393 CB LEU A 89 6.814 1.407 -3.678 1.00 0.00 C ATOM 1394 CG LEU A 89 5.638 2.181 -4.276 1.00 0.00 C ATOM 1395 CD1 LEU A 89 5.991 2.701 -5.661 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.397 1.303 -4.335 1.00 0.00 C ATOM 0 H LEU A 89 6.089 2.964 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 89 5.833 0.265 -2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.708 2.025 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.985 0.518 -4.285 1.00 0.00 H new ATOM 0 HG LEU A 89 5.425 3.035 -3.633 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.143 3.249 -6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.853 3.365 -5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.231 1.862 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.570 1.870 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.598 0.430 -4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.132 0.979 -3.328 1.00 0.00 H new ATOM 1408 N GLN A 90 9.015 1.043 -1.651 1.00 0.00 N ATOM 1409 CA GLN A 90 10.295 0.502 -1.209 1.00 0.00 C ATOM 1410 C GLN A 90 10.103 -0.473 -0.052 1.00 0.00 C ATOM 1411 O GLN A 90 10.689 -1.555 -0.036 1.00 0.00 O ATOM 1412 CB GLN A 90 11.233 1.634 -0.786 1.00 0.00 C ATOM 1413 CG GLN A 90 11.798 2.424 -1.956 1.00 0.00 C ATOM 1414 CD GLN A 90 13.095 3.129 -1.611 1.00 0.00 C ATOM 1415 OE1 GLN A 90 13.096 4.298 -1.223 1.00 0.00 O ATOM 1416 NE2 GLN A 90 14.209 2.421 -1.752 1.00 0.00 N ATOM 0 H GLN A 90 9.032 2.038 -1.874 1.00 0.00 H new ATOM 0 HA GLN A 90 10.741 -0.037 -2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.694 2.314 -0.126 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.057 1.215 -0.209 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.967 1.751 -2.796 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.063 3.161 -2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.162 1.455 -2.076 1.00 0.00 H new ATOM 0 HE22 GLN A 90 15.112 2.843 -1.536 1.00 0.00 H new ATOM 1425 N ALA A 91 9.279 -0.082 0.915 1.00 0.00 N ATOM 1426 CA ALA A 91 9.009 -0.922 2.075 1.00 0.00 C ATOM 1427 C ALA A 91 8.009 -2.022 1.735 1.00 0.00 C ATOM 1428 O ALA A 91 8.140 -3.157 2.193 1.00 0.00 O ATOM 1429 CB ALA A 91 8.494 -0.077 3.230 1.00 0.00 C ATOM 0 H ALA A 91 8.787 0.811 0.918 1.00 0.00 H new ATOM 0 HA ALA A 91 9.944 -1.396 2.375 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.297 -0.717 4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.243 0.669 3.497 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.573 0.424 2.932 1.00 0.00 H new ATOM 1435 N ALA A 92 7.009 -1.678 0.929 1.00 0.00 N ATOM 1436 CA ALA A 92 5.988 -2.637 0.527 1.00 0.00 C ATOM 1437 C ALA A 92 6.610 -3.978 0.155 1.00 0.00 C ATOM 1438 O ALA A 92 6.151 -5.030 0.600 1.00 0.00 O ATOM 1439 CB ALA A 92 5.177 -2.087 -0.637 1.00 0.00 C ATOM 0 H ALA A 92 6.885 -0.742 0.542 1.00 0.00 H new ATOM 0 HA ALA A 92 5.322 -2.799 1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.418 -2.814 -0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.693 -1.157 -0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.838 -1.895 -1.482 1.00 0.00 H new ATOM 1445 N GLU A 93 7.656 -3.933 -0.665 1.00 0.00 N ATOM 1446 CA GLU A 93 8.339 -5.147 -1.098 1.00 0.00 C ATOM 1447 C GLU A 93 9.087 -5.793 0.064 1.00 0.00 C ATOM 1448 O GLU A 93 8.963 -6.995 0.304 1.00 0.00 O ATOM 1449 CB GLU A 93 9.314 -4.832 -2.234 1.00 0.00 C ATOM 1450 CG GLU A 93 10.054 -6.052 -2.757 1.00 0.00 C ATOM 1451 CD GLU A 93 11.342 -6.319 -2.002 1.00 0.00 C ATOM 1452 OE1 GLU A 93 11.281 -6.956 -0.930 1.00 0.00 O ATOM 1453 OE2 GLU A 93 12.411 -5.892 -2.486 1.00 0.00 O ATOM 0 H GLU A 93 8.048 -3.070 -1.042 1.00 0.00 H new ATOM 0 HA GLU A 93 7.587 -5.848 -1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.765 -4.371 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.041 -4.099 -1.885 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.406 -6.925 -2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.279 -5.911 -3.814 1.00 0.00 H new ATOM 1460 N ARG A 94 9.864 -4.988 0.781 1.00 0.00 N ATOM 1461 CA ARG A 94 10.634 -5.482 1.917 1.00 0.00 C ATOM 1462 C ARG A 94 9.722 -6.141 2.947 1.00 0.00 C ATOM 1463 O ARG A 94 10.177 -6.918 3.787 1.00 0.00 O ATOM 1464 CB ARG A 94 11.413 -4.337 2.568 1.00 0.00 C ATOM 1465 CG ARG A 94 12.625 -3.891 1.765 1.00 0.00 C ATOM 1466 CD ARG A 94 13.082 -2.499 2.174 1.00 0.00 C ATOM 1467 NE ARG A 94 14.048 -2.540 3.268 1.00 0.00 N ATOM 1468 CZ ARG A 94 15.347 -2.757 3.093 1.00 0.00 C ATOM 1469 NH1 ARG A 94 15.832 -2.951 1.874 1.00 0.00 N ATOM 1470 NH2 ARG A 94 16.164 -2.779 4.139 1.00 0.00 N ATOM 0 H ARG A 94 9.977 -3.991 0.596 1.00 0.00 H new ATOM 0 HA ARG A 94 11.338 -6.229 1.550 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.745 -3.486 2.705 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.740 -4.649 3.560 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.440 -4.600 1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.382 -3.898 0.703 1.00 0.00 H new ATOM 0 HD2 ARG A 94 13.528 -1.997 1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 94 12.217 -1.908 2.476 1.00 0.00 H new ATOM 0 HE ARG A 94 13.707 -2.394 4.218 1.00 0.00 H new ATOM 0 HH11 ARG A 94 15.207 -2.934 1.068 1.00 0.00 H new ATOM 0 HH12 ARG A 94 16.830 -3.117 1.743 1.00 0.00 H new ATOM 0 HH21 ARG A 94 15.795 -2.629 5.078 1.00 0.00 H new ATOM 0 HH22 ARG A 94 17.161 -2.946 4.004 1.00 0.00 H new ATOM 1484 N TYR A 95 8.434 -5.826 2.876 1.00 0.00 N ATOM 1485 CA TYR A 95 7.458 -6.385 3.804 1.00 0.00 C ATOM 1486 C TYR A 95 7.067 -7.802 3.395 1.00 0.00 C ATOM 1487 O TYR A 95 7.039 -8.714 4.221 1.00 0.00 O ATOM 1488 CB TYR A 95 6.214 -5.498 3.864 1.00 0.00 C ATOM 1489 CG TYR A 95 4.973 -6.226 4.332 1.00 0.00 C ATOM 1490 CD1 TYR A 95 4.144 -6.877 3.426 1.00 0.00 C ATOM 1491 CD2 TYR A 95 4.630 -6.263 5.677 1.00 0.00 C ATOM 1492 CE1 TYR A 95 3.009 -7.542 3.848 1.00 0.00 C ATOM 1493 CE2 TYR A 95 3.499 -6.927 6.108 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.691 -7.565 5.190 1.00 0.00 C ATOM 1495 OH TYR A 95 1.562 -8.227 5.615 1.00 0.00 O ATOM 0 H TYR A 95 8.041 -5.186 2.185 1.00 0.00 H new ATOM 0 HA TYR A 95 7.916 -6.425 4.793 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.408 -4.660 4.533 1.00 0.00 H new ATOM 0 HB3 TYR A 95 6.028 -5.080 2.875 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.391 -6.863 2.375 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.259 -5.763 6.399 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.374 -8.041 3.131 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.248 -6.947 7.158 1.00 0.00 H new ATOM 0 HH TYR A 95 1.822 -9.031 6.111 1.00 0.00 H new ATOM 1505 N GLY A 96 6.767 -7.980 2.112 1.00 0.00 N ATOM 1506 CA GLY A 96 6.382 -9.287 1.614 1.00 0.00 C ATOM 1507 C GLY A 96 5.896 -9.241 0.179 1.00 0.00 C ATOM 1508 O GLY A 96 6.154 -10.159 -0.600 1.00 0.00 O ATOM 0 H GLY A 96 6.784 -7.242 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.233 -9.964 1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.595 -9.697 2.248 1.00 0.00 H new ATOM 1512 N ILE A 97 5.190 -8.171 -0.171 1.00 0.00 N ATOM 1513 CA ILE A 97 4.667 -8.010 -1.521 1.00 0.00 C ATOM 1514 C ILE A 97 5.776 -8.142 -2.560 1.00 0.00 C ATOM 1515 O ILE A 97 6.914 -7.742 -2.322 1.00 0.00 O ATOM 1516 CB ILE A 97 3.974 -6.646 -1.698 1.00 0.00 C ATOM 1517 CG1 ILE A 97 2.887 -6.460 -0.637 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.385 -6.528 -3.095 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.300 -5.067 -0.611 1.00 0.00 C ATOM 0 H ILE A 97 4.967 -7.403 0.462 1.00 0.00 H new ATOM 0 HA ILE A 97 3.934 -8.803 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 97 4.717 -5.859 -1.571 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.088 -7.179 -0.817 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.305 -6.688 0.344 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.899 -5.559 -3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.181 -6.620 -3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.653 -7.321 -3.249 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.536 -5.008 0.165 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.088 -4.344 -0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.852 -4.843 -1.579 1.00 0.00 H new ATOM 1531 N ASN A 98 5.433 -8.707 -3.714 1.00 0.00 N ATOM 1532 CA ASN A 98 6.400 -8.891 -4.791 1.00 0.00 C ATOM 1533 C ASN A 98 6.310 -7.753 -5.803 1.00 0.00 C ATOM 1534 O ASN A 98 5.218 -7.344 -6.199 1.00 0.00 O ATOM 1535 CB ASN A 98 6.164 -10.231 -5.491 1.00 0.00 C ATOM 1536 CG ASN A 98 7.364 -10.676 -6.305 1.00 0.00 C ATOM 1537 OD1 ASN A 98 8.345 -9.945 -6.436 1.00 0.00 O ATOM 1538 ND2 ASN A 98 7.289 -11.882 -6.857 1.00 0.00 N ATOM 0 H ASN A 98 4.494 -9.045 -3.927 1.00 0.00 H new ATOM 0 HA ASN A 98 7.399 -8.887 -4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.932 -10.992 -4.746 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.295 -10.149 -6.144 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.065 -12.236 -7.416 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.455 -12.454 -6.722 1.00 0.00 H new ATOM 1545 N THR A 99 7.467 -7.246 -6.218 1.00 0.00 N ATOM 1546 CA THR A 99 7.520 -6.155 -7.183 1.00 0.00 C ATOM 1547 C THR A 99 6.619 -6.436 -8.381 1.00 0.00 C ATOM 1548 O THR A 99 5.946 -5.538 -8.889 1.00 0.00 O ATOM 1549 CB THR A 99 8.957 -5.916 -7.682 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.555 -7.159 -8.067 1.00 0.00 O ATOM 1551 CG2 THR A 99 9.801 -5.254 -6.603 1.00 0.00 C ATOM 0 H THR A 99 8.379 -7.574 -5.901 1.00 0.00 H new ATOM 0 HA THR A 99 7.168 -5.261 -6.668 1.00 0.00 H new ATOM 0 HB THR A 99 8.913 -5.252 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.468 -6.998 -8.385 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.812 -5.095 -6.978 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.359 -4.295 -6.333 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.837 -5.897 -5.724 1.00 0.00 H new ATOM 1559 N THR A 100 6.608 -7.688 -8.827 1.00 0.00 N ATOM 1560 CA THR A 100 5.790 -8.087 -9.965 1.00 0.00 C ATOM 1561 C THR A 100 4.385 -7.504 -9.863 1.00 0.00 C ATOM 1562 O THR A 100 3.688 -7.360 -10.868 1.00 0.00 O ATOM 1563 CB THR A 100 5.690 -9.620 -10.075 1.00 0.00 C ATOM 1564 OG1 THR A 100 4.835 -9.978 -11.166 1.00 0.00 O ATOM 1565 CG2 THR A 100 5.153 -10.221 -8.785 1.00 0.00 C ATOM 0 H THR A 100 7.157 -8.444 -8.417 1.00 0.00 H new ATOM 0 HA THR A 100 6.279 -7.697 -10.858 1.00 0.00 H new ATOM 0 HB THR A 100 6.690 -10.016 -10.253 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.778 -10.954 -11.230 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.091 -11.304 -8.887 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.822 -9.971 -7.961 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.161 -9.818 -8.582 1.00 0.00 H new ATOM 1573 N ASP A 101 3.976 -7.168 -8.645 1.00 0.00 N ATOM 1574 CA ASP A 101 2.654 -6.598 -8.413 1.00 0.00 C ATOM 1575 C ASP A 101 2.749 -5.102 -8.130 1.00 0.00 C ATOM 1576 O ASP A 101 1.949 -4.313 -8.633 1.00 0.00 O ATOM 1577 CB ASP A 101 1.967 -7.308 -7.245 1.00 0.00 C ATOM 1578 CG ASP A 101 1.506 -8.706 -7.608 1.00 0.00 C ATOM 1579 OD1 ASP A 101 2.372 -9.580 -7.818 1.00 0.00 O ATOM 1580 OD2 ASP A 101 0.279 -8.925 -7.682 1.00 0.00 O ATOM 0 H ASP A 101 4.541 -7.280 -7.803 1.00 0.00 H new ATOM 0 HA ASP A 101 2.060 -6.742 -9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.655 -7.363 -6.402 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.110 -6.719 -6.919 1.00 0.00 H new ATOM 1585 N ILE A 102 3.732 -4.719 -7.321 1.00 0.00 N ATOM 1586 CA ILE A 102 3.931 -3.319 -6.971 1.00 0.00 C ATOM 1587 C ILE A 102 3.824 -2.424 -8.202 1.00 0.00 C ATOM 1588 O ILE A 102 4.396 -2.721 -9.250 1.00 0.00 O ATOM 1589 CB ILE A 102 5.302 -3.094 -6.306 1.00 0.00 C ATOM 1590 CG1 ILE A 102 5.420 -3.937 -5.034 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.502 -1.619 -5.991 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.723 -3.734 -4.294 1.00 0.00 C ATOM 0 H ILE A 102 4.403 -5.359 -6.896 1.00 0.00 H new ATOM 0 HA ILE A 102 3.145 -3.056 -6.263 1.00 0.00 H new ATOM 0 HB ILE A 102 6.082 -3.406 -7.000 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.592 -3.694 -4.368 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.320 -4.990 -5.295 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.475 -1.476 -5.521 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.456 -1.040 -6.914 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.719 -1.282 -5.312 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.737 -4.362 -3.404 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.556 -4.005 -4.943 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.816 -2.688 -4.002 1.00 0.00 H new ATOM 1604 N PHE A 103 3.087 -1.327 -8.066 1.00 0.00 N ATOM 1605 CA PHE A 103 2.904 -0.387 -9.166 1.00 0.00 C ATOM 1606 C PHE A 103 4.098 0.556 -9.280 1.00 0.00 C ATOM 1607 O PHE A 103 5.033 0.489 -8.482 1.00 0.00 O ATOM 1608 CB PHE A 103 1.620 0.420 -8.968 1.00 0.00 C ATOM 1609 CG PHE A 103 1.596 1.204 -7.688 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.272 0.590 -6.489 1.00 0.00 C ATOM 1611 CD2 PHE A 103 1.899 2.556 -7.682 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.249 1.309 -5.309 1.00 0.00 C ATOM 1613 CE2 PHE A 103 1.878 3.282 -6.506 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.553 2.657 -5.318 1.00 0.00 C ATOM 0 H PHE A 103 2.606 -1.067 -7.205 1.00 0.00 H new ATOM 0 HA PHE A 103 2.826 -0.960 -10.090 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.498 1.105 -9.807 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.767 -0.259 -8.985 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.034 -0.463 -6.476 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.155 3.049 -8.608 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.994 0.818 -4.381 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.115 4.336 -6.516 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.536 3.221 -4.397 1.00 0.00 H new ATOM 1624 N GLN A 104 4.059 1.433 -10.278 1.00 0.00 N ATOM 1625 CA GLN A 104 5.139 2.388 -10.497 1.00 0.00 C ATOM 1626 C GLN A 104 4.786 3.752 -9.912 1.00 0.00 C ATOM 1627 O GLN A 104 3.615 4.132 -9.856 1.00 0.00 O ATOM 1628 CB GLN A 104 5.433 2.523 -11.992 1.00 0.00 C ATOM 1629 CG GLN A 104 6.256 1.376 -12.556 1.00 0.00 C ATOM 1630 CD GLN A 104 7.648 1.306 -11.957 1.00 0.00 C ATOM 1631 OE1 GLN A 104 8.556 2.019 -12.385 1.00 0.00 O ATOM 1632 NE2 GLN A 104 7.822 0.445 -10.962 1.00 0.00 N ATOM 0 H GLN A 104 3.292 1.502 -10.947 1.00 0.00 H new ATOM 0 HA GLN A 104 6.029 2.014 -9.991 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.490 2.584 -12.535 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.963 3.460 -12.167 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.737 0.436 -12.370 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.335 1.488 -13.637 1.00 0.00 H new ATOM 0 HE21 GLN A 104 7.041 -0.126 -10.639 1.00 0.00 H new ATOM 0 HE22 GLN A 104 8.737 0.355 -10.520 1.00 0.00 H new ATOM 1641 N THR A 105 5.805 4.485 -9.476 1.00 0.00 N ATOM 1642 CA THR A 105 5.603 5.805 -8.893 1.00 0.00 C ATOM 1643 C THR A 105 4.762 6.687 -9.809 1.00 0.00 C ATOM 1644 O THR A 105 3.838 7.365 -9.358 1.00 0.00 O ATOM 1645 CB THR A 105 6.945 6.508 -8.613 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.709 5.747 -7.671 1.00 0.00 O ATOM 1647 CG2 THR A 105 6.718 7.912 -8.074 1.00 0.00 C ATOM 0 H THR A 105 6.780 4.186 -9.516 1.00 0.00 H new ATOM 0 HA THR A 105 5.076 5.657 -7.950 1.00 0.00 H new ATOM 0 HB THR A 105 7.495 6.581 -9.551 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.561 6.199 -7.500 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.680 8.389 -7.884 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.161 8.497 -8.806 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.150 7.858 -7.145 1.00 0.00 H new ATOM 1655 N VAL A 106 5.086 6.674 -11.098 1.00 0.00 N ATOM 1656 CA VAL A 106 4.359 7.472 -12.078 1.00 0.00 C ATOM 1657 C VAL A 106 2.973 6.893 -12.337 1.00 0.00 C ATOM 1658 O VAL A 106 1.974 7.612 -12.310 1.00 0.00 O ATOM 1659 CB VAL A 106 5.125 7.558 -13.411 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.226 6.186 -14.059 1.00 0.00 C ATOM 1661 CG2 VAL A 106 4.454 8.551 -14.347 1.00 0.00 C ATOM 0 H VAL A 106 5.848 6.119 -11.488 1.00 0.00 H new ATOM 0 HA VAL A 106 4.259 8.474 -11.660 1.00 0.00 H new ATOM 0 HB VAL A 106 6.136 7.911 -13.207 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.770 6.267 -15.000 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.755 5.506 -13.391 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.225 5.800 -14.251 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.008 8.599 -15.284 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.432 8.230 -14.546 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.440 9.537 -13.882 1.00 0.00 H new ATOM 1671 N ASP A 107 2.920 5.590 -12.589 1.00 0.00 N ATOM 1672 CA ASP A 107 1.655 4.913 -12.853 1.00 0.00 C ATOM 1673 C ASP A 107 0.528 5.527 -12.028 1.00 0.00 C ATOM 1674 O ASP A 107 -0.579 5.735 -12.527 1.00 0.00 O ATOM 1675 CB ASP A 107 1.777 3.420 -12.543 1.00 0.00 C ATOM 1676 CG ASP A 107 2.223 2.613 -13.746 1.00 0.00 C ATOM 1677 OD1 ASP A 107 2.502 3.223 -14.800 1.00 0.00 O ATOM 1678 OD2 ASP A 107 2.294 1.372 -13.634 1.00 0.00 O ATOM 0 H ASP A 107 3.738 4.981 -12.616 1.00 0.00 H new ATOM 0 HA ASP A 107 1.417 5.038 -13.909 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.489 3.278 -11.730 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.815 3.045 -12.194 1.00 0.00 H new ATOM 1683 N LEU A 108 0.816 5.813 -10.763 1.00 0.00 N ATOM 1684 CA LEU A 108 -0.173 6.402 -9.867 1.00 0.00 C ATOM 1685 C LEU A 108 -0.100 7.925 -9.901 1.00 0.00 C ATOM 1686 O LEU A 108 -1.121 8.603 -10.006 1.00 0.00 O ATOM 1687 CB LEU A 108 0.041 5.900 -8.438 1.00 0.00 C ATOM 1688 CG LEU A 108 -0.778 6.599 -7.352 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -2.255 6.268 -7.502 1.00 0.00 C ATOM 1690 CD2 LEU A 108 -0.279 6.203 -5.970 1.00 0.00 C ATOM 0 H LEU A 108 1.727 5.647 -10.335 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.163 6.097 -10.207 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.189 4.835 -8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.098 6.004 -8.192 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.654 7.676 -7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.822 6.774 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.605 6.602 -8.479 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.397 5.191 -7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.873 6.710 -5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.373 5.124 -5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.767 6.491 -5.865 1.00 0.00 H new ATOM 1702 N TRP A 109 1.115 8.455 -9.812 1.00 0.00 N ATOM 1703 CA TRP A 109 1.322 9.899 -9.834 1.00 0.00 C ATOM 1704 C TRP A 109 0.541 10.543 -10.975 1.00 0.00 C ATOM 1705 O TRP A 109 -0.348 11.362 -10.744 1.00 0.00 O ATOM 1706 CB TRP A 109 2.811 10.219 -9.975 1.00 0.00 C ATOM 1707 CG TRP A 109 3.157 11.620 -9.572 1.00 0.00 C ATOM 1708 CD1 TRP A 109 2.999 12.181 -8.337 1.00 0.00 C ATOM 1709 CD2 TRP A 109 3.719 12.638 -10.407 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.428 13.486 -8.354 1.00 0.00 N ATOM 1711 CE2 TRP A 109 3.876 13.791 -9.613 1.00 0.00 C ATOM 1712 CE3 TRP A 109 4.107 12.688 -11.749 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 4.402 14.977 -10.117 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 4.628 13.866 -12.249 1.00 0.00 C ATOM 1715 CH2 TRP A 109 4.773 14.997 -11.434 1.00 0.00 C ATOM 0 H TRP A 109 1.971 7.907 -9.724 1.00 0.00 H new ATOM 0 HA TRP A 109 0.957 10.308 -8.892 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.385 9.521 -9.366 1.00 0.00 H new ATOM 0 HB3 TRP A 109 3.113 10.061 -11.010 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.596 11.673 -7.473 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.415 14.124 -7.559 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.001 11.821 -12.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 4.513 15.850 -9.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 4.929 13.916 -13.285 1.00 0.00 H new ATOM 0 HH2 TRP A 109 5.186 15.902 -11.854 1.00 0.00 H new ATOM 1726 N GLU A 110 0.880 10.168 -12.204 1.00 0.00 N ATOM 1727 CA GLU A 110 0.209 10.711 -13.380 1.00 0.00 C ATOM 1728 C GLU A 110 -0.945 9.811 -13.812 1.00 0.00 C ATOM 1729 O GLU A 110 -1.280 9.737 -14.993 1.00 0.00 O ATOM 1730 CB GLU A 110 1.203 10.873 -14.532 1.00 0.00 C ATOM 1731 CG GLU A 110 1.893 12.226 -14.555 1.00 0.00 C ATOM 1732 CD GLU A 110 2.325 12.637 -15.949 1.00 0.00 C ATOM 1733 OE1 GLU A 110 2.723 11.749 -16.732 1.00 0.00 O ATOM 1734 OE2 GLU A 110 2.266 13.846 -16.257 1.00 0.00 O ATOM 0 H GLU A 110 1.614 9.491 -12.412 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.195 11.689 -13.117 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.959 10.091 -14.461 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.679 10.726 -15.476 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.218 12.981 -14.151 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.766 12.196 -13.902 1.00 0.00 H new ATOM 1741 N GLY A 111 -1.551 9.129 -12.844 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.660 8.243 -13.144 1.00 0.00 C ATOM 1743 C GLY A 111 -2.514 7.566 -14.492 1.00 0.00 C ATOM 1744 O GLY A 111 -3.494 7.389 -15.216 1.00 0.00 O ATOM 0 H GLY A 111 -1.293 9.175 -11.858 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.735 7.483 -12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.590 8.811 -13.125 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.287 7.186 -14.831 1.00 0.00 N ATOM 1749 CA LYS A 112 -1.014 6.525 -16.102 1.00 0.00 C ATOM 1750 C LYS A 112 -1.481 5.073 -16.071 1.00 0.00 C ATOM 1751 O LYS A 112 -2.023 4.565 -17.052 1.00 0.00 O ATOM 1752 CB LYS A 112 0.482 6.583 -16.420 1.00 0.00 C ATOM 1753 CG LYS A 112 0.939 7.931 -16.951 1.00 0.00 C ATOM 1754 CD LYS A 112 2.371 7.875 -17.455 1.00 0.00 C ATOM 1755 CE LYS A 112 2.456 7.204 -18.818 1.00 0.00 C ATOM 1756 NZ LYS A 112 3.835 7.260 -19.378 1.00 0.00 N ATOM 0 H LYS A 112 -0.465 7.324 -14.243 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.566 7.050 -16.882 1.00 0.00 H new ATOM 0 HB2 LYS A 112 1.046 6.347 -15.518 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.719 5.813 -17.154 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.280 8.247 -17.760 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.859 8.680 -16.163 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.775 8.885 -17.520 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.988 7.330 -16.741 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.141 6.164 -18.731 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.764 7.690 -19.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.852 6.793 -20.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.126 8.253 -19.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.491 6.774 -18.734 1.00 0.00 H new ATOM 1770 N ASN A 113 -1.270 4.412 -14.937 1.00 0.00 N ATOM 1771 CA ASN A 113 -1.671 3.019 -14.779 1.00 0.00 C ATOM 1772 C ASN A 113 -2.493 2.831 -13.507 1.00 0.00 C ATOM 1773 O ASN A 113 -2.025 2.235 -12.537 1.00 0.00 O ATOM 1774 CB ASN A 113 -0.438 2.113 -14.742 1.00 0.00 C ATOM 1775 CG ASN A 113 -0.745 0.701 -15.203 1.00 0.00 C ATOM 1776 OD1 ASN A 113 -1.907 0.306 -15.300 1.00 0.00 O ATOM 1777 ND2 ASN A 113 0.300 -0.067 -15.489 1.00 0.00 N ATOM 0 H ASN A 113 -0.824 4.819 -14.115 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.289 2.745 -15.634 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.341 2.538 -15.375 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.043 2.083 -13.727 1.00 0.00 H new ATOM 0 HD21 ASN A 113 0.157 -1.027 -15.804 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.246 0.303 -15.394 1.00 0.00 H new ATOM 1784 N MET A 114 -3.719 3.342 -13.521 1.00 0.00 N ATOM 1785 CA MET A 114 -4.607 3.228 -12.370 1.00 0.00 C ATOM 1786 C MET A 114 -5.238 1.841 -12.305 1.00 0.00 C ATOM 1787 O MET A 114 -6.441 1.706 -12.082 1.00 0.00 O ATOM 1788 CB MET A 114 -5.700 4.296 -12.435 1.00 0.00 C ATOM 1789 CG MET A 114 -6.272 4.664 -11.075 1.00 0.00 C ATOM 1790 SD MET A 114 -5.077 5.511 -10.025 1.00 0.00 S ATOM 1791 CE MET A 114 -5.448 4.781 -8.432 1.00 0.00 C ATOM 0 H MET A 114 -4.120 3.839 -14.316 1.00 0.00 H new ATOM 0 HA MET A 114 -4.014 3.380 -11.468 1.00 0.00 H new ATOM 0 HB2 MET A 114 -5.293 5.192 -12.904 1.00 0.00 H new ATOM 0 HB3 MET A 114 -6.507 3.940 -13.075 1.00 0.00 H new ATOM 0 HG2 MET A 114 -7.145 5.302 -11.213 1.00 0.00 H new ATOM 0 HG3 MET A 114 -6.614 3.759 -10.572 1.00 0.00 H new ATOM 0 HE1 MET A 114 -4.777 5.192 -7.678 1.00 0.00 H new ATOM 0 HE2 MET A 114 -6.480 5.005 -8.160 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.314 3.701 -8.487 1.00 0.00 H new ATOM 1801 N ALA A 115 -4.419 0.813 -12.501 1.00 0.00 N ATOM 1802 CA ALA A 115 -4.897 -0.563 -12.462 1.00 0.00 C ATOM 1803 C ALA A 115 -3.977 -1.441 -11.621 1.00 0.00 C ATOM 1804 O ALA A 115 -4.428 -2.382 -10.968 1.00 0.00 O ATOM 1805 CB ALA A 115 -5.016 -1.120 -13.873 1.00 0.00 C ATOM 0 H ALA A 115 -3.421 0.907 -12.688 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.883 -0.566 -11.997 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.374 -2.149 -13.829 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.720 -0.515 -14.445 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.040 -1.096 -14.357 1.00 0.00 H new ATOM 1811 N CYS A 116 -2.686 -1.128 -11.643 1.00 0.00 N ATOM 1812 CA CYS A 116 -1.701 -1.890 -10.883 1.00 0.00 C ATOM 1813 C CYS A 116 -1.728 -1.496 -9.410 1.00 0.00 C ATOM 1814 O CYS A 116 -1.655 -2.350 -8.526 1.00 0.00 O ATOM 1815 CB CYS A 116 -0.301 -1.669 -11.457 1.00 0.00 C ATOM 1816 SG CYS A 116 0.075 -2.692 -12.900 1.00 0.00 S ATOM 0 H CYS A 116 -2.297 -0.352 -12.179 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.955 -2.947 -10.962 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.194 -0.619 -11.731 1.00 0.00 H new ATOM 0 HB3 CYS A 116 0.435 -1.872 -10.679 1.00 0.00 H new ATOM 0 HG CYS A 116 1.279 -2.432 -13.314 1.00 0.00 H new ATOM 1822 N VAL A 117 -1.832 -0.196 -9.152 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.868 0.312 -7.786 1.00 0.00 C ATOM 1824 C VAL A 117 -3.160 -0.089 -7.084 1.00 0.00 C ATOM 1825 O VAL A 117 -3.192 -0.246 -5.864 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.734 1.846 -7.754 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.754 2.491 -8.680 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -1.890 2.365 -6.332 1.00 0.00 C ATOM 0 H VAL A 117 -1.893 0.524 -9.871 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.021 -0.130 -7.262 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.738 2.113 -8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.644 3.575 -8.644 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.590 2.143 -9.700 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.760 2.218 -8.360 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.792 3.451 -6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.872 2.088 -5.949 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.117 1.929 -5.699 1.00 0.00 H new ATOM 1838 N GLN A 118 -4.224 -0.253 -7.863 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.520 -0.636 -7.316 1.00 0.00 C ATOM 1840 C GLN A 118 -5.434 -1.981 -6.603 1.00 0.00 C ATOM 1841 O GLN A 118 -6.078 -2.193 -5.576 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.568 -0.701 -8.428 1.00 0.00 C ATOM 1843 CG GLN A 118 -7.297 0.613 -8.655 1.00 0.00 C ATOM 1844 CD GLN A 118 -7.864 1.195 -7.376 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -8.788 0.472 -6.755 1.00 0.00 O flip ATOM 1846 NE2 GLN A 118 -7.476 2.284 -6.949 1.00 0.00 N flip ATOM 0 H GLN A 118 -4.214 -0.127 -8.875 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.817 0.121 -6.590 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.082 -1.002 -9.356 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.297 -1.474 -8.184 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -6.611 1.332 -9.104 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.106 0.456 -9.368 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -6.763 2.807 -7.458 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -7.867 2.662 -6.086 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.633 -2.887 -7.154 1.00 0.00 N ATOM 1856 CA ARG A 119 -4.464 -4.213 -6.572 1.00 0.00 C ATOM 1857 C ARG A 119 -3.326 -4.219 -5.555 1.00 0.00 C ATOM 1858 O ARG A 119 -3.458 -4.771 -4.462 1.00 0.00 O ATOM 1859 CB ARG A 119 -4.188 -5.244 -7.668 1.00 0.00 C ATOM 1860 CG ARG A 119 -3.859 -6.628 -7.133 1.00 0.00 C ATOM 1861 CD ARG A 119 -4.144 -7.707 -8.167 1.00 0.00 C ATOM 1862 NE ARG A 119 -3.007 -7.924 -9.058 1.00 0.00 N ATOM 1863 CZ ARG A 119 -2.791 -7.214 -10.160 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -3.629 -6.246 -10.504 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -1.734 -7.472 -10.920 1.00 0.00 N ATOM 0 H ARG A 119 -4.091 -2.727 -8.003 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.389 -4.477 -6.059 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -5.060 -5.313 -8.318 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.359 -4.895 -8.283 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.809 -6.668 -6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -4.444 -6.820 -6.234 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.390 -8.640 -7.659 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -5.017 -7.424 -8.755 1.00 0.00 H new ATOM 0 HE ARG A 119 -2.343 -8.661 -8.821 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -4.442 -6.045 -9.922 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -3.461 -5.703 -11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -1.087 -8.216 -10.658 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -1.569 -6.927 -11.766 1.00 0.00 H new ATOM 1879 N THR A 120 -2.208 -3.601 -5.922 1.00 0.00 N ATOM 1880 CA THR A 120 -1.047 -3.536 -5.044 1.00 0.00 C ATOM 1881 C THR A 120 -1.466 -3.337 -3.592 1.00 0.00 C ATOM 1882 O THR A 120 -1.011 -4.054 -2.700 1.00 0.00 O ATOM 1883 CB THR A 120 -0.096 -2.395 -5.453 1.00 0.00 C ATOM 1884 OG1 THR A 120 0.387 -2.612 -6.783 1.00 0.00 O ATOM 1885 CG2 THR A 120 1.078 -2.298 -4.491 1.00 0.00 C ATOM 0 H THR A 120 -2.082 -3.138 -6.822 1.00 0.00 H new ATOM 0 HA THR A 120 -0.524 -4.487 -5.141 1.00 0.00 H new ATOM 0 HB THR A 120 -0.652 -1.458 -5.418 1.00 0.00 H new ATOM 0 HG1 THR A 120 -0.367 -2.614 -7.409 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.736 -1.486 -4.800 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.708 -2.103 -3.484 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.633 -3.236 -4.498 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.337 -2.361 -3.361 1.00 0.00 N ATOM 1894 CA LEU A 121 -2.819 -2.068 -2.015 1.00 0.00 C ATOM 1895 C LEU A 121 -3.522 -3.280 -1.413 1.00 0.00 C ATOM 1896 O LEU A 121 -3.214 -3.699 -0.298 1.00 0.00 O ATOM 1897 CB LEU A 121 -3.772 -0.872 -2.043 1.00 0.00 C ATOM 1898 CG LEU A 121 -3.237 0.397 -2.706 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -4.345 1.429 -2.854 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -2.077 0.969 -1.905 1.00 0.00 C ATOM 0 H LEU A 121 -2.724 -1.759 -4.088 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.959 -1.824 -1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.684 -1.171 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.052 -0.632 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.873 0.139 -3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.946 2.326 -3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.145 1.018 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.739 1.683 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.709 1.872 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.415 1.212 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.275 0.233 -1.851 1.00 0.00 H new ATOM 1912 N MET A 122 -4.467 -3.841 -2.161 1.00 0.00 N ATOM 1913 CA MET A 122 -5.212 -5.008 -1.702 1.00 0.00 C ATOM 1914 C MET A 122 -4.276 -6.040 -1.081 1.00 0.00 C ATOM 1915 O MET A 122 -4.529 -6.541 0.014 1.00 0.00 O ATOM 1916 CB MET A 122 -5.984 -5.636 -2.863 1.00 0.00 C ATOM 1917 CG MET A 122 -7.223 -4.852 -3.264 1.00 0.00 C ATOM 1918 SD MET A 122 -8.401 -4.674 -1.911 1.00 0.00 S ATOM 1919 CE MET A 122 -8.873 -6.381 -1.646 1.00 0.00 C ATOM 0 H MET A 122 -4.735 -3.507 -3.087 1.00 0.00 H new ATOM 0 HA MET A 122 -5.920 -4.680 -0.940 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.322 -5.720 -3.725 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.278 -6.649 -2.587 1.00 0.00 H new ATOM 0 HG2 MET A 122 -6.925 -3.863 -3.614 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.710 -5.353 -4.101 1.00 0.00 H new ATOM 0 HE1 MET A 122 -9.920 -6.427 -1.345 1.00 0.00 H new ATOM 0 HE2 MET A 122 -8.736 -6.944 -2.569 1.00 0.00 H new ATOM 0 HE3 MET A 122 -8.251 -6.813 -0.862 1.00 0.00 H new ATOM 1929 N ASN A 123 -3.196 -6.354 -1.788 1.00 0.00 N ATOM 1930 CA ASN A 123 -2.223 -7.328 -1.305 1.00 0.00 C ATOM 1931 C ASN A 123 -1.778 -6.994 0.115 1.00 0.00 C ATOM 1932 O ASN A 123 -1.886 -7.821 1.022 1.00 0.00 O ATOM 1933 CB ASN A 123 -1.009 -7.371 -2.235 1.00 0.00 C ATOM 1934 CG ASN A 123 -1.299 -8.103 -3.531 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -1.830 -9.213 -3.524 1.00 0.00 O ATOM 1936 ND2 ASN A 123 -0.949 -7.482 -4.652 1.00 0.00 N ATOM 0 H ASN A 123 -2.972 -5.949 -2.697 1.00 0.00 H new ATOM 0 HA ASN A 123 -2.701 -8.308 -1.296 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -0.690 -6.353 -2.459 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -0.180 -7.859 -1.723 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -1.118 -7.925 -5.555 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -0.511 -6.562 -4.610 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.278 -5.778 0.302 1.00 0.00 N ATOM 1944 CA LEU A 124 -0.817 -5.333 1.613 1.00 0.00 C ATOM 1945 C LEU A 124 -1.773 -5.789 2.710 1.00 0.00 C ATOM 1946 O LEU A 124 -1.353 -6.352 3.720 1.00 0.00 O ATOM 1947 CB LEU A 124 -0.682 -3.810 1.638 1.00 0.00 C ATOM 1948 CG LEU A 124 0.302 -3.240 2.661 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.732 -3.393 2.169 1.00 0.00 C ATOM 1950 CD2 LEU A 124 -0.013 -1.779 2.947 1.00 0.00 C ATOM 0 H LEU A 124 -1.181 -5.082 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 124 0.159 -5.781 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.378 -3.476 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.665 -3.381 1.831 1.00 0.00 H new ATOM 0 HG LEU A 124 0.198 -3.802 3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.418 -2.982 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.953 -4.449 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.852 -2.858 1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.697 -1.390 3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.063 -1.203 2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.024 -1.696 3.345 1.00 0.00 H new ATOM 1962 N GLY A 125 -3.063 -5.542 2.504 1.00 0.00 N ATOM 1963 CA GLY A 125 -4.060 -5.935 3.483 1.00 0.00 C ATOM 1964 C GLY A 125 -4.144 -7.439 3.653 1.00 0.00 C ATOM 1965 O GLY A 125 -4.083 -7.949 4.771 1.00 0.00 O ATOM 0 H GLY A 125 -3.436 -5.077 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.823 -5.477 4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.034 -5.552 3.179 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.286 -8.152 2.540 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.378 -9.600 2.593 1.00 0.00 C ATOM 1971 C GLY A 126 -3.202 -10.229 3.313 1.00 0.00 C ATOM 1972 O GLY A 126 -3.371 -11.172 4.088 1.00 0.00 O ATOM 0 H GLY A 126 -4.339 -7.753 1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.302 -9.884 3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.433 -9.995 1.579 1.00 0.00 H new ATOM 1976 N LEU A 127 -2.006 -9.710 3.057 1.00 0.00 N ATOM 1977 CA LEU A 127 -0.796 -10.228 3.686 1.00 0.00 C ATOM 1978 C LEU A 127 -0.818 -9.985 5.191 1.00 0.00 C ATOM 1979 O LEU A 127 -0.613 -10.906 5.981 1.00 0.00 O ATOM 1980 CB LEU A 127 0.442 -9.574 3.070 1.00 0.00 C ATOM 1981 CG LEU A 127 0.819 -10.042 1.664 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.490 -8.919 0.889 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.727 -11.261 1.733 1.00 0.00 C ATOM 0 H LEU A 127 -1.848 -8.931 2.418 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.757 -11.303 3.511 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.283 -8.496 3.042 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.290 -9.754 3.731 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.094 -10.323 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.751 -9.271 -0.109 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.807 -8.074 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.394 -8.606 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 127 1.985 -11.580 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.637 -11.007 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.211 -12.071 2.249 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.070 -8.740 5.581 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.123 -8.377 6.992 1.00 0.00 C ATOM 1997 C ALA A 128 -2.009 -9.341 7.774 1.00 0.00 C ATOM 1998 O ALA A 128 -1.593 -9.895 8.791 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.624 -6.949 7.151 1.00 0.00 C ATOM 0 H ALA A 128 -1.241 -7.965 4.940 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.113 -8.443 7.397 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.659 -6.691 8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.949 -6.267 6.633 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.623 -6.864 6.724 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.232 -9.536 7.292 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.177 -10.434 7.946 1.00 0.00 C ATOM 2007 C VAL A 129 -3.609 -11.844 8.056 1.00 0.00 C ATOM 2008 O VAL A 129 -4.114 -12.670 8.816 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.516 -10.489 7.187 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.504 -11.391 7.912 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.087 -9.090 7.012 1.00 0.00 C ATOM 0 H VAL A 129 -3.592 -9.084 6.451 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.351 -10.037 8.946 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.336 -10.909 6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.444 -11.418 7.361 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.094 -12.399 7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.682 -11.004 8.915 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.033 -9.148 6.474 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.253 -8.640 7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.384 -8.478 6.446 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.555 -12.113 7.293 1.00 0.00 N ATOM 2022 CA ALA A 130 -1.916 -13.423 7.306 1.00 0.00 C ATOM 2023 C ALA A 130 -0.639 -13.402 8.139 1.00 0.00 C ATOM 2024 O ALA A 130 0.260 -14.219 7.935 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.615 -13.878 5.886 1.00 0.00 C ATOM 0 H ALA A 130 -2.125 -11.441 6.658 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.606 -14.132 7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.138 -14.858 5.911 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.544 -13.941 5.320 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.947 -13.161 5.408 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.564 -12.463 9.077 1.00 0.00 N ATOM 2032 CA ARG A 131 0.604 -12.336 9.939 1.00 0.00 C ATOM 2033 C ARG A 131 0.231 -12.573 11.399 1.00 0.00 C ATOM 2034 O ARG A 131 -0.929 -12.830 11.720 1.00 0.00 O ATOM 2035 CB ARG A 131 1.232 -10.949 9.781 1.00 0.00 C ATOM 2036 CG ARG A 131 1.475 -10.552 8.334 1.00 0.00 C ATOM 2037 CD ARG A 131 2.864 -10.964 7.869 1.00 0.00 C ATOM 2038 NE ARG A 131 3.888 -10.016 8.299 1.00 0.00 N ATOM 2039 CZ ARG A 131 5.177 -10.322 8.398 1.00 0.00 C ATOM 2040 NH1 ARG A 131 5.597 -11.544 8.100 1.00 0.00 N ATOM 2041 NH2 ARG A 131 6.049 -9.404 8.796 1.00 0.00 N ATOM 0 H ARG A 131 -1.299 -11.779 9.259 1.00 0.00 H new ATOM 0 HA ARG A 131 1.329 -13.093 9.640 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.581 -10.209 10.247 1.00 0.00 H new ATOM 0 HB3 ARG A 131 2.179 -10.925 10.320 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.724 -11.018 7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 131 1.359 -9.473 8.227 1.00 0.00 H new ATOM 0 HD2 ARG A 131 3.099 -11.954 8.261 1.00 0.00 H new ATOM 0 HD3 ARG A 131 2.874 -11.041 6.782 1.00 0.00 H new ATOM 0 HE ARG A 131 3.598 -9.067 8.536 1.00 0.00 H new ATOM 0 HH11 ARG A 131 4.930 -12.252 7.794 1.00 0.00 H new ATOM 0 HH12 ARG A 131 6.587 -11.776 8.177 1.00 0.00 H new ATOM 0 HH21 ARG A 131 5.730 -8.463 9.026 1.00 0.00 H new ATOM 0 HH22 ARG A 131 7.039 -9.640 8.872 1.00 0.00 H new ATOM 2055 N ASP A 132 1.222 -12.486 12.279 1.00 0.00 N ATOM 2056 CA ASP A 132 0.999 -12.691 13.706 1.00 0.00 C ATOM 2057 C ASP A 132 1.346 -11.433 14.496 1.00 0.00 C ATOM 2058 O ASP A 132 1.595 -11.495 15.701 1.00 0.00 O ATOM 2059 CB ASP A 132 1.830 -13.871 14.210 1.00 0.00 C ATOM 2060 CG ASP A 132 1.813 -15.044 13.249 1.00 0.00 C ATOM 2061 OD1 ASP A 132 0.758 -15.700 13.133 1.00 0.00 O ATOM 2062 OD2 ASP A 132 2.856 -15.305 12.612 1.00 0.00 O ATOM 0 H ASP A 132 2.188 -12.275 12.030 1.00 0.00 H new ATOM 0 HA ASP A 132 -0.058 -12.912 13.855 1.00 0.00 H new ATOM 0 HB2 ASP A 132 2.859 -13.547 14.365 1.00 0.00 H new ATOM 0 HB3 ASP A 132 1.448 -14.193 15.179 1.00 0.00 H new ATOM 2067 N ASP A 133 1.362 -10.295 13.811 1.00 0.00 N ATOM 2068 CA ASP A 133 1.679 -9.023 14.449 1.00 0.00 C ATOM 2069 C ASP A 133 0.541 -8.574 15.361 1.00 0.00 C ATOM 2070 O ASP A 133 0.774 -7.995 16.421 1.00 0.00 O ATOM 2071 CB ASP A 133 1.955 -7.953 13.392 1.00 0.00 C ATOM 2072 CG ASP A 133 3.325 -8.102 12.761 1.00 0.00 C ATOM 2073 OD1 ASP A 133 4.211 -8.708 13.400 1.00 0.00 O ATOM 2074 OD2 ASP A 133 3.511 -7.614 11.627 1.00 0.00 O ATOM 0 H ASP A 133 1.159 -10.227 12.814 1.00 0.00 H new ATOM 0 HA ASP A 133 2.574 -9.162 15.056 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.192 -8.009 12.615 1.00 0.00 H new ATOM 0 HB3 ASP A 133 1.874 -6.966 13.848 1.00 0.00 H new ATOM 2079 N GLY A 134 -0.690 -8.845 14.940 1.00 0.00 N ATOM 2080 CA GLY A 134 -1.846 -8.461 15.729 1.00 0.00 C ATOM 2081 C GLY A 134 -2.016 -6.957 15.814 1.00 0.00 C ATOM 2082 O GLY A 134 -2.333 -6.419 16.876 1.00 0.00 O ATOM 0 H GLY A 134 -0.908 -9.324 14.066 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.743 -8.901 15.292 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.748 -8.870 16.735 1.00 0.00 H new ATOM 2086 N LEU A 135 -1.804 -6.275 14.693 1.00 0.00 N ATOM 2087 CA LEU A 135 -1.935 -4.823 14.645 1.00 0.00 C ATOM 2088 C LEU A 135 -2.958 -4.403 13.594 1.00 0.00 C ATOM 2089 O LEU A 135 -3.759 -3.496 13.820 1.00 0.00 O ATOM 2090 CB LEU A 135 -0.581 -4.179 14.341 1.00 0.00 C ATOM 2091 CG LEU A 135 0.596 -4.660 15.190 1.00 0.00 C ATOM 2092 CD1 LEU A 135 1.916 -4.318 14.515 1.00 0.00 C ATOM 2093 CD2 LEU A 135 0.534 -4.050 16.583 1.00 0.00 C ATOM 0 H LEU A 135 -1.541 -6.704 13.806 1.00 0.00 H new ATOM 0 HA LEU A 135 -2.282 -4.482 15.620 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -0.344 -4.357 13.292 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -0.677 -3.101 14.467 1.00 0.00 H new ATOM 0 HG LEU A 135 0.530 -5.744 15.286 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.742 -4.668 15.134 1.00 0.00 H new ATOM 0 HD12 LEU A 135 1.962 -4.803 13.540 1.00 0.00 H new ATOM 0 HD13 LEU A 135 1.990 -3.238 14.387 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.380 -4.404 17.173 1.00 0.00 H new ATOM 0 HD22 LEU A 135 0.574 -2.963 16.506 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -0.396 -4.345 17.069 1.00 0.00 H new ATOM 2105 N PHE A 136 -2.926 -5.070 12.445 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.851 -4.767 11.359 1.00 0.00 C ATOM 2107 C PHE A 136 -5.218 -4.363 11.906 1.00 0.00 C ATOM 2108 O PHE A 136 -5.733 -4.981 12.837 1.00 0.00 O ATOM 2109 CB PHE A 136 -3.997 -5.976 10.433 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.281 -5.982 9.653 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.442 -6.496 10.209 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.328 -5.474 8.365 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.624 -6.503 9.494 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -6.507 -5.478 7.645 1.00 0.00 C ATOM 2115 CZ PHE A 136 -7.657 -5.993 8.211 1.00 0.00 C ATOM 0 H PHE A 136 -2.270 -5.824 12.242 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.444 -3.930 10.791 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.158 -5.994 9.737 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.938 -6.888 11.027 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.422 -6.895 11.212 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.432 -5.070 7.918 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.522 -6.907 9.938 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.530 -5.079 6.642 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.581 -5.997 7.651 1.00 0.00 H new ATOM 2125 N SER A 137 -5.798 -3.320 11.320 1.00 0.00 N ATOM 2126 CA SER A 137 -7.102 -2.830 11.750 1.00 0.00 C ATOM 2127 C SER A 137 -8.107 -2.882 10.604 1.00 0.00 C ATOM 2128 O SER A 137 -7.736 -3.066 9.446 1.00 0.00 O ATOM 2129 CB SER A 137 -6.984 -1.398 12.276 1.00 0.00 C ATOM 2130 OG SER A 137 -6.663 -1.386 13.656 1.00 0.00 O ATOM 0 H SER A 137 -5.385 -2.799 10.547 1.00 0.00 H new ATOM 0 HA SER A 137 -7.459 -3.476 12.552 1.00 0.00 H new ATOM 0 HB2 SER A 137 -6.216 -0.864 11.716 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.923 -0.869 12.113 1.00 0.00 H new ATOM 0 HG SER A 137 -6.592 -0.459 13.967 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.384 -2.720 10.937 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.424 -2.751 9.925 1.00 0.00 C ATOM 2138 C GLY A 138 -10.963 -4.149 9.691 1.00 0.00 C ATOM 2139 O GLY A 138 -10.365 -5.133 10.127 1.00 0.00 O ATOM 0 H GLY A 138 -9.717 -2.568 11.889 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.241 -2.096 10.228 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -10.028 -2.356 8.989 1.00 0.00 H new ATOM 2143 N ASP A 139 -12.096 -4.237 9.003 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.716 -5.524 8.712 1.00 0.00 C ATOM 2145 C ASP A 139 -11.725 -6.463 8.031 1.00 0.00 C ATOM 2146 O ASP A 139 -11.334 -6.263 6.881 1.00 0.00 O ATOM 2147 CB ASP A 139 -13.948 -5.333 7.827 1.00 0.00 C ATOM 2148 CG ASP A 139 -14.990 -6.412 8.044 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -15.021 -6.994 9.148 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -15.775 -6.676 7.109 1.00 0.00 O ATOM 0 H ASP A 139 -12.604 -3.432 8.636 1.00 0.00 H new ATOM 0 HA ASP A 139 -13.024 -5.973 9.656 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -14.391 -4.358 8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -13.643 -5.332 6.780 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.308 -7.512 8.756 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.357 -8.502 8.241 1.00 0.00 C ATOM 2157 C PRO A 140 -10.964 -9.374 7.148 1.00 0.00 C ATOM 2158 O PRO A 140 -10.283 -10.216 6.564 1.00 0.00 O ATOM 2159 CB PRO A 140 -10.022 -9.345 9.474 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.207 -9.201 10.365 1.00 0.00 C ATOM 2161 CD PRO A 140 -11.733 -7.812 10.133 1.00 0.00 C ATOM 0 HA PRO A 140 -9.488 -8.032 7.780 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -9.852 -10.388 9.206 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.114 -8.990 9.962 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -11.964 -9.949 10.131 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -10.930 -9.344 11.409 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -12.817 -7.770 10.237 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.317 -7.100 10.846 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.248 -9.167 6.875 1.00 0.00 N ATOM 2170 CA ASN A 141 -12.946 -9.935 5.851 1.00 0.00 C ATOM 2171 C ASN A 141 -12.603 -9.419 4.457 1.00 0.00 C ATOM 2172 O ASN A 141 -12.321 -10.200 3.547 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.458 -9.867 6.075 1.00 0.00 C ATOM 2174 CG ASN A 141 -14.909 -10.726 7.241 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -15.372 -11.851 7.055 1.00 0.00 O ATOM 2176 ND2 ASN A 141 -14.775 -10.197 8.452 1.00 0.00 N ATOM 0 H ASN A 141 -12.826 -8.473 7.349 1.00 0.00 H new ATOM 0 HA ASN A 141 -12.621 -10.973 5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.750 -8.832 6.255 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -14.972 -10.190 5.169 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -15.061 -10.728 9.275 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -14.386 -9.260 8.559 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.630 -8.101 4.296 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.322 -7.481 3.013 1.00 0.00 C ATOM 2185 C TRP A 142 -11.251 -8.272 2.269 1.00 0.00 C ATOM 2186 O TRP A 142 -11.424 -8.625 1.103 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.858 -6.039 3.218 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.926 -5.143 3.768 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -14.252 -5.151 3.438 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.759 -4.108 4.743 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.918 -4.182 4.150 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -14.026 -3.529 4.957 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.664 -3.615 5.457 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -14.223 -2.483 5.854 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.862 -2.576 6.346 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -13.133 -2.020 6.540 1.00 0.00 C ATOM 0 H TRP A 142 -12.862 -7.441 5.038 1.00 0.00 H new ATOM 0 HA TRP A 142 -13.231 -7.480 2.411 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -11.004 -6.033 3.896 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -11.512 -5.637 2.266 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.709 -5.820 2.724 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.916 -3.982 4.087 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.680 -4.038 5.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -15.202 -2.052 6.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -11.022 -2.186 6.901 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -13.255 -1.210 7.244 1.00 0.00 H new ATOM 2207 N PHE A 143 -10.144 -8.547 2.951 1.00 0.00 N ATOM 2208 CA PHE A 143 -9.045 -9.296 2.354 1.00 0.00 C ATOM 2209 C PHE A 143 -9.079 -10.757 2.796 1.00 0.00 C ATOM 2210 O PHE A 143 -9.208 -11.071 3.979 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.704 -8.667 2.738 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.723 -7.165 2.731 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -8.135 -6.459 3.849 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -7.329 -6.459 1.605 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -8.153 -5.077 3.846 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -7.344 -5.077 1.597 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.758 -4.385 2.718 1.00 0.00 C ATOM 0 H PHE A 143 -9.985 -8.262 3.917 1.00 0.00 H new ATOM 0 HA PHE A 143 -9.159 -9.259 1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.420 -9.014 3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -6.937 -9.016 2.047 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -8.446 -6.995 4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -7.007 -6.995 0.724 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -8.476 -4.539 4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -7.032 -4.538 0.714 1.00 0.00 H new ATOM 0 HZ PHE A 143 -7.773 -3.305 2.713 1.00 0.00 H new ATOM 2227 N PRO A 144 -8.960 -11.671 1.822 1.00 0.00 N ATOM 2228 CA PRO A 144 -8.974 -13.113 2.085 1.00 0.00 C ATOM 2229 C PRO A 144 -7.719 -13.582 2.812 1.00 0.00 C ATOM 2230 O PRO A 144 -6.779 -12.813 3.010 1.00 0.00 O ATOM 2231 CB PRO A 144 -9.042 -13.728 0.684 1.00 0.00 C ATOM 2232 CG PRO A 144 -8.442 -12.699 -0.211 1.00 0.00 C ATOM 2233 CD PRO A 144 -8.803 -11.368 0.390 1.00 0.00 C ATOM 0 HA PRO A 144 -9.802 -13.401 2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -8.488 -14.666 0.636 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -10.070 -13.950 0.399 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -7.360 -12.819 -0.274 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -8.832 -12.788 -1.225 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -8.023 -10.626 0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -9.722 -10.969 -0.039 1.00 0.00 H new