USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=24 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 55 CYS SG : rot 70:sc= -5.32! USER MOD Set 1.2: A 84 GLN : amide:sc= -0.119 K(o=-5.4,f=-6.7!) USER MOD Set 2.1: A 38 GLN : amide:sc= -0.629 X(o=-6.1,f=-5.6) USER MOD Set 2.2: A 43 ASN : amide:sc= -5.44! C(o=-6.1!,f=-9.1!) USER MOD Single : A 20 GLN : amide:sc= -0.0661 K(o=-0.066,f=-1.2!) USER MOD Single : A 24 GLN : amide:sc= 0.00197 X(o=0.002,f=0) USER MOD Single : A 27 THR OG1 : rot -98:sc= 1.01 USER MOD Single : A 28 THR OG1 : rot 85:sc= 0.468 USER MOD Single : A 29 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.2) USER MOD Single : A 30 CYS SG : rot -2:sc= 0.883 USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00859) USER MOD Single : A 45 GLN : amide:sc= -3.98 K(o=-4,f=-5.2!) USER MOD Single : A 46 ASN : amide:sc=-0.00135 X(o=-0.0014,f=-0.12) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0219) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0235 USER MOD Single : A 59 ASN : amide:sc= -8.68! C(o=-8.7!,f=-10!) USER MOD Single : A 62 TYR OH : rot 30:sc= -0.309 USER MOD Single : A 66 GLN : amide:sc= -4.99! C(o=-5!,f=-8.1!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0431 K(o=-0.043,f=-1.4!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0413 USER MOD Single : A 77 MET CE :methyl -151:sc= -0.011 (180deg=-0.0308) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.03! K(o=-1!,f=-1.8) USER MOD Single : A 82 MET CE :methyl -133:sc= -8.71! (180deg=-9.38!) USER MOD Single : A 86 SER OG : rot -58:sc= 0.963 USER MOD Single : A 87 GLN : amide:sc= -0.0252 X(o=-0.025,f=-0.18) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot -47:sc= -3.72! USER MOD Single : A 98 ASN : amide:sc= -3.43! C(o=-3.4!,f=-4.8!) 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= -0.461 X(o=-0.46,f=-0.46) 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 113 ASN : amide:sc=-0.00647 K(o=-0.0065,f=-1.2) USER MOD Single : A 114 MET CE :methyl 159:sc= -1.01 (180deg=-2.4!) USER MOD Single : A 116 CYS SG : rot 180:sc= 0 USER MOD Single : A 118 GLN :FLIP amide:sc= -6.18! C(o=-9.6!,f=-6.2!) USER MOD Single : A 120 THR OG1 : rot 90:sc= -1.14 USER MOD Single : A 122 MET CE :methyl -136:sc= -1.38 (180deg=-5.03!) USER MOD Single : A 123 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.1) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN :FLIP amide:sc= 0.0167 F(o=-0.75,f=0.017) USER MOD ----------------------------------------------------------------- ATOM 221 N ASP A 17 -15.844 -3.159 -7.110 1.00 0.00 N ATOM 222 CA ASP A 17 -16.239 -3.926 -5.934 1.00 0.00 C ATOM 223 C ASP A 17 -15.154 -3.877 -4.863 1.00 0.00 C ATOM 224 O ASP A 17 -15.446 -3.905 -3.667 1.00 0.00 O ATOM 225 CB ASP A 17 -16.527 -5.378 -6.320 1.00 0.00 C ATOM 226 CG ASP A 17 -16.328 -6.335 -5.162 1.00 0.00 C ATOM 227 OD1 ASP A 17 -16.661 -5.960 -4.018 1.00 0.00 O ATOM 228 OD2 ASP A 17 -15.840 -7.459 -5.399 1.00 0.00 O ATOM 0 HA ASP A 17 -17.146 -3.479 -5.527 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -17.552 -5.458 -6.682 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -15.875 -5.668 -7.144 1.00 0.00 H new ATOM 233 N LEU A 18 -13.902 -3.805 -5.300 1.00 0.00 N ATOM 234 CA LEU A 18 -12.772 -3.753 -4.379 1.00 0.00 C ATOM 235 C LEU A 18 -12.446 -2.312 -3.998 1.00 0.00 C ATOM 236 O LEU A 18 -12.186 -2.013 -2.833 1.00 0.00 O ATOM 237 CB LEU A 18 -11.545 -4.417 -5.007 1.00 0.00 C ATOM 238 CG LEU A 18 -11.594 -5.940 -5.127 1.00 0.00 C ATOM 239 CD1 LEU A 18 -10.508 -6.437 -6.069 1.00 0.00 C ATOM 240 CD2 LEU A 18 -11.452 -6.588 -3.758 1.00 0.00 C ATOM 0 H LEU A 18 -13.643 -3.781 -6.286 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.047 -4.295 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.400 -3.999 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.669 -4.147 -4.417 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.562 -6.221 -5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.559 -7.523 -6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.655 -6.000 -7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.531 -6.144 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.489 -7.672 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.499 -6.299 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.266 -6.258 -3.113 1.00 0.00 H new ATOM 252 N GLU A 19 -12.463 -1.425 -4.988 1.00 0.00 N ATOM 253 CA GLU A 19 -12.170 -0.016 -4.755 1.00 0.00 C ATOM 254 C GLU A 19 -12.901 0.494 -3.516 1.00 0.00 C ATOM 255 O GLU A 19 -12.278 0.965 -2.566 1.00 0.00 O ATOM 256 CB GLU A 19 -12.567 0.819 -5.975 1.00 0.00 C ATOM 257 CG GLU A 19 -12.402 2.315 -5.768 1.00 0.00 C ATOM 258 CD GLU A 19 -12.881 3.124 -6.958 1.00 0.00 C ATOM 259 OE1 GLU A 19 -12.640 2.693 -8.105 1.00 0.00 O ATOM 260 OE2 GLU A 19 -13.497 4.189 -6.740 1.00 0.00 O ATOM 0 H GLU A 19 -12.676 -1.657 -5.958 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.097 0.083 -4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.963 0.510 -6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.606 0.608 -6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.956 2.619 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.352 2.539 -5.580 1.00 0.00 H new ATOM 267 N GLN A 20 -14.227 0.397 -3.537 1.00 0.00 N ATOM 268 CA GLN A 20 -15.043 0.850 -2.417 1.00 0.00 C ATOM 269 C GLN A 20 -14.477 0.348 -1.093 1.00 0.00 C ATOM 270 O GLN A 20 -14.584 1.020 -0.066 1.00 0.00 O ATOM 271 CB GLN A 20 -16.486 0.370 -2.583 1.00 0.00 C ATOM 272 CG GLN A 20 -16.643 -1.138 -2.465 1.00 0.00 C ATOM 273 CD GLN A 20 -18.065 -1.553 -2.147 1.00 0.00 C ATOM 274 OE1 GLN A 20 -18.784 -0.853 -1.434 1.00 0.00 O ATOM 275 NE2 GLN A 20 -18.480 -2.699 -2.676 1.00 0.00 N ATOM 0 H GLN A 20 -14.758 0.009 -4.317 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.029 1.940 -2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.109 0.852 -1.830 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.857 0.691 -3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.332 -1.606 -3.399 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.977 -1.509 -1.686 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.851 -3.248 -3.261 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.428 -3.030 -2.497 1.00 0.00 H new ATOM 284 N ILE A 21 -13.875 -0.836 -1.123 1.00 0.00 N ATOM 285 CA ILE A 21 -13.291 -1.427 0.074 1.00 0.00 C ATOM 286 C ILE A 21 -11.968 -0.757 0.429 1.00 0.00 C ATOM 287 O ILE A 21 -11.708 -0.446 1.592 1.00 0.00 O ATOM 288 CB ILE A 21 -13.058 -2.939 -0.100 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.329 -3.617 -0.615 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.614 -3.562 1.215 1.00 0.00 C ATOM 291 CD1 ILE A 21 -14.168 -5.103 -0.851 1.00 0.00 C ATOM 0 H ILE A 21 -13.779 -1.405 -1.964 1.00 0.00 H new ATOM 0 HA ILE A 21 -14.004 -1.269 0.883 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.267 -3.087 -0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.133 -3.456 0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.633 -3.140 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.453 -4.631 1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.685 -3.095 1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -13.385 -3.406 1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.108 -5.518 -1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.386 -5.271 -1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.894 -5.592 0.084 1.00 0.00 H new ATOM 303 N LEU A 22 -11.134 -0.536 -0.581 1.00 0.00 N ATOM 304 CA LEU A 22 -9.837 0.099 -0.377 1.00 0.00 C ATOM 305 C LEU A 22 -9.986 1.407 0.393 1.00 0.00 C ATOM 306 O LEU A 22 -9.429 1.566 1.480 1.00 0.00 O ATOM 307 CB LEU A 22 -9.158 0.361 -1.723 1.00 0.00 C ATOM 308 CG LEU A 22 -8.402 -0.819 -2.335 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.790 -0.426 -3.671 1.00 0.00 C ATOM 310 CD2 LEU A 22 -7.327 -1.316 -1.379 1.00 0.00 C ATOM 0 H LEU A 22 -11.333 -0.787 -1.549 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.217 -0.578 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.918 0.687 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.460 1.189 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.110 -1.630 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.256 -1.278 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.580 -0.118 -4.357 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.095 0.401 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.799 -2.156 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.621 -0.511 -1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.790 -1.638 -0.446 1.00 0.00 H new ATOM 322 N ILE A 23 -10.742 2.340 -0.176 1.00 0.00 N ATOM 323 CA ILE A 23 -10.967 3.632 0.460 1.00 0.00 C ATOM 324 C ILE A 23 -11.473 3.462 1.888 1.00 0.00 C ATOM 325 O ILE A 23 -11.150 4.258 2.769 1.00 0.00 O ATOM 326 CB ILE A 23 -11.979 4.481 -0.334 1.00 0.00 C ATOM 327 CG1 ILE A 23 -11.478 4.708 -1.761 1.00 0.00 C ATOM 328 CG2 ILE A 23 -12.220 5.810 0.367 1.00 0.00 C ATOM 329 CD1 ILE A 23 -12.552 5.197 -2.708 1.00 0.00 C ATOM 0 H ILE A 23 -11.209 2.225 -1.076 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.006 4.147 0.477 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.925 3.942 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.665 5.434 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.064 3.776 -2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.937 6.399 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.616 5.628 1.366 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.280 6.357 0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.125 5.336 -3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.355 4.462 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.950 6.146 -2.348 1.00 0.00 H new ATOM 341 N GLN A 24 -12.266 2.419 2.109 1.00 0.00 N ATOM 342 CA GLN A 24 -12.816 2.144 3.431 1.00 0.00 C ATOM 343 C GLN A 24 -11.724 1.676 4.388 1.00 0.00 C ATOM 344 O GLN A 24 -11.642 2.139 5.525 1.00 0.00 O ATOM 345 CB GLN A 24 -13.917 1.086 3.339 1.00 0.00 C ATOM 346 CG GLN A 24 -15.285 1.659 3.009 1.00 0.00 C ATOM 347 CD GLN A 24 -16.402 0.652 3.200 1.00 0.00 C ATOM 348 OE1 GLN A 24 -17.120 0.686 4.200 1.00 0.00 O ATOM 349 NE2 GLN A 24 -16.554 -0.253 2.240 1.00 0.00 N ATOM 0 H GLN A 24 -12.542 1.750 1.390 1.00 0.00 H new ATOM 0 HA GLN A 24 -13.242 3.069 3.819 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.645 0.356 2.577 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.975 0.551 4.287 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.473 2.528 3.640 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -15.289 2.008 1.977 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.936 -0.244 1.428 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -17.289 -0.957 2.314 1.00 0.00 H new ATOM 358 N TRP A 25 -10.888 0.757 3.919 1.00 0.00 N ATOM 359 CA TRP A 25 -9.801 0.226 4.734 1.00 0.00 C ATOM 360 C TRP A 25 -8.728 1.285 4.967 1.00 0.00 C ATOM 361 O TRP A 25 -8.528 1.741 6.093 1.00 0.00 O ATOM 362 CB TRP A 25 -9.185 -1.002 4.062 1.00 0.00 C ATOM 363 CG TRP A 25 -7.956 -1.505 4.757 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.849 -1.880 6.066 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.658 -1.686 4.179 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.564 -2.283 6.336 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.814 -2.175 5.195 1.00 0.00 C ATOM 368 CE3 TRP A 25 -6.128 -1.485 2.902 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.470 -2.463 4.972 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.794 -1.771 2.682 1.00 0.00 C ATOM 371 CH2 TRP A 25 -3.977 -2.256 3.712 1.00 0.00 C ATOM 0 H TRP A 25 -10.942 0.364 2.979 1.00 0.00 H new ATOM 0 HA TRP A 25 -10.213 -0.066 5.700 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.927 -1.800 4.029 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -8.935 -0.756 3.030 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.656 -1.862 6.783 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -6.223 -2.610 7.240 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.750 -1.113 2.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.839 -2.836 5.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.374 -1.618 1.699 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.938 -2.471 3.508 1.00 0.00 H new ATOM 382 N ILE A 26 -8.043 1.672 3.897 1.00 0.00 N ATOM 383 CA ILE A 26 -6.992 2.678 3.986 1.00 0.00 C ATOM 384 C ILE A 26 -7.323 3.727 5.042 1.00 0.00 C ATOM 385 O ILE A 26 -6.532 3.980 5.952 1.00 0.00 O ATOM 386 CB ILE A 26 -6.769 3.381 2.633 1.00 0.00 C ATOM 387 CG1 ILE A 26 -6.328 2.368 1.574 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.736 4.489 2.776 1.00 0.00 C ATOM 389 CD1 ILE A 26 -6.561 2.838 0.155 1.00 0.00 C ATOM 0 H ILE A 26 -8.197 1.304 2.958 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.079 2.155 4.270 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.710 3.827 2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.268 2.153 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.865 1.433 1.731 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.589 4.976 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.086 5.221 3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.791 4.064 3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.225 2.070 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.624 3.026 0.004 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.002 3.757 -0.020 1.00 0.00 H new ATOM 401 N THR A 27 -8.499 4.334 4.917 1.00 0.00 N ATOM 402 CA THR A 27 -8.937 5.355 5.861 1.00 0.00 C ATOM 403 C THR A 27 -8.959 4.813 7.286 1.00 0.00 C ATOM 404 O THR A 27 -8.508 5.476 8.221 1.00 0.00 O ATOM 405 CB THR A 27 -10.338 5.886 5.504 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.226 4.793 5.246 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.277 6.796 4.286 1.00 0.00 C ATOM 0 H THR A 27 -9.166 4.136 4.171 1.00 0.00 H new ATOM 0 HA THR A 27 -8.220 6.173 5.797 1.00 0.00 H new ATOM 0 HB THR A 27 -10.710 6.463 6.351 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.294 4.648 4.279 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.278 7.159 4.053 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.624 7.643 4.497 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.885 6.239 3.435 1.00 0.00 H new ATOM 415 N THR A 28 -9.486 3.603 7.446 1.00 0.00 N ATOM 416 CA THR A 28 -9.568 2.972 8.757 1.00 0.00 C ATOM 417 C THR A 28 -8.179 2.690 9.318 1.00 0.00 C ATOM 418 O THR A 28 -7.842 3.132 10.416 1.00 0.00 O ATOM 419 CB THR A 28 -10.363 1.654 8.698 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.752 1.929 8.486 1.00 0.00 O ATOM 421 CG2 THR A 28 -10.188 0.859 9.983 1.00 0.00 C ATOM 0 H THR A 28 -9.863 3.040 6.683 1.00 0.00 H new ATOM 0 HA THR A 28 -10.087 3.671 9.413 1.00 0.00 H new ATOM 0 HB THR A 28 -9.980 1.061 7.868 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.921 2.037 7.527 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.758 -0.068 9.918 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.133 0.626 10.126 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.547 1.448 10.827 1.00 0.00 H new ATOM 429 N GLN A 29 -7.377 1.951 8.558 1.00 0.00 N ATOM 430 CA GLN A 29 -6.024 1.610 8.981 1.00 0.00 C ATOM 431 C GLN A 29 -5.311 2.829 9.560 1.00 0.00 C ATOM 432 O GLN A 29 -4.711 2.757 10.632 1.00 0.00 O ATOM 433 CB GLN A 29 -5.225 1.048 7.804 1.00 0.00 C ATOM 434 CG GLN A 29 -3.769 0.766 8.137 1.00 0.00 C ATOM 435 CD GLN A 29 -3.603 -0.406 9.083 1.00 0.00 C ATOM 436 OE1 GLN A 29 -3.683 -0.251 10.302 1.00 0.00 O ATOM 437 NE2 GLN A 29 -3.370 -1.589 8.526 1.00 0.00 N ATOM 0 H GLN A 29 -7.641 1.577 7.646 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.094 0.850 9.759 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.696 0.126 7.463 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.269 1.754 6.975 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.222 0.565 7.216 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.324 1.655 8.584 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.312 -1.672 7.511 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.250 -2.414 9.113 1.00 0.00 H new ATOM 446 N CYS A 30 -5.382 3.944 8.843 1.00 0.00 N ATOM 447 CA CYS A 30 -4.743 5.179 9.284 1.00 0.00 C ATOM 448 C CYS A 30 -5.645 5.944 10.247 1.00 0.00 C ATOM 449 O CYS A 30 -6.830 6.142 9.979 1.00 0.00 O ATOM 450 CB CYS A 30 -4.398 6.058 8.081 1.00 0.00 C ATOM 451 SG CYS A 30 -5.835 6.802 7.275 1.00 0.00 S ATOM 0 H CYS A 30 -5.876 4.019 7.954 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.824 4.916 9.807 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.725 6.852 8.406 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -3.855 5.459 7.350 1.00 0.00 H new ATOM 0 HG CYS A 30 -6.921 6.399 7.866 1.00 0.00 H new ATOM 457 N ARG A 31 -5.076 6.372 11.369 1.00 0.00 N ATOM 458 CA ARG A 31 -5.829 7.113 12.374 1.00 0.00 C ATOM 459 C ARG A 31 -5.297 8.537 12.511 1.00 0.00 C ATOM 460 O ARG A 31 -4.962 8.983 13.608 1.00 0.00 O ATOM 461 CB ARG A 31 -5.759 6.399 13.725 1.00 0.00 C ATOM 462 CG ARG A 31 -6.789 6.891 14.728 1.00 0.00 C ATOM 463 CD ARG A 31 -8.129 6.198 14.536 1.00 0.00 C ATOM 464 NE ARG A 31 -9.226 6.955 15.134 1.00 0.00 N ATOM 465 CZ ARG A 31 -10.502 6.782 14.805 1.00 0.00 C ATOM 466 NH1 ARG A 31 -10.839 5.884 13.890 1.00 0.00 N ATOM 467 NH2 ARG A 31 -11.444 7.509 15.393 1.00 0.00 N ATOM 0 H ARG A 31 -4.096 6.218 11.605 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.869 7.161 12.050 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.899 5.329 13.569 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.762 6.532 14.146 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.427 6.712 15.740 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.917 7.968 14.621 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.319 6.064 13.471 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.090 5.203 14.980 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.001 7.654 15.842 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.118 5.323 13.436 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.819 5.754 13.640 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.189 8.201 16.098 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.423 7.376 15.140 1.00 0.00 H new ATOM 481 N LYS A 32 -5.223 9.245 11.389 1.00 0.00 N ATOM 482 CA LYS A 32 -4.733 10.619 11.383 1.00 0.00 C ATOM 483 C LYS A 32 -5.676 11.529 10.603 1.00 0.00 C ATOM 484 O LYS A 32 -5.464 12.739 10.525 1.00 0.00 O ATOM 485 CB LYS A 32 -3.330 10.679 10.774 1.00 0.00 C ATOM 486 CG LYS A 32 -3.329 10.817 9.262 1.00 0.00 C ATOM 487 CD LYS A 32 -3.272 12.275 8.835 1.00 0.00 C ATOM 488 CE LYS A 32 -2.504 12.445 7.534 1.00 0.00 C ATOM 489 NZ LYS A 32 -2.595 13.838 7.014 1.00 0.00 N ATOM 0 H LYS A 32 -5.496 8.890 10.472 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.690 10.968 12.415 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.791 11.521 11.208 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.785 9.776 11.048 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.475 10.282 8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.226 10.352 8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.285 12.660 8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.798 12.866 9.618 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.458 12.184 7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.895 11.753 6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.101 13.901 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.594 14.096 6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.153 14.491 7.692 1.00 0.00 H new ATOM 503 N ASP A 33 -6.719 10.939 10.028 1.00 0.00 N ATOM 504 CA ASP A 33 -7.697 11.698 9.256 1.00 0.00 C ATOM 505 C ASP A 33 -7.054 12.306 8.013 1.00 0.00 C ATOM 506 O ASP A 33 -7.123 13.515 7.794 1.00 0.00 O ATOM 507 CB ASP A 33 -8.314 12.801 10.118 1.00 0.00 C ATOM 508 CG ASP A 33 -9.564 12.340 10.840 1.00 0.00 C ATOM 509 OD1 ASP A 33 -9.636 11.146 11.199 1.00 0.00 O ATOM 510 OD2 ASP A 33 -10.470 13.174 11.048 1.00 0.00 O ATOM 0 H ASP A 33 -6.909 9.938 10.082 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.483 11.013 8.938 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.580 13.140 10.849 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.556 13.657 9.489 1.00 0.00 H new ATOM 515 N VAL A 34 -6.429 11.458 7.202 1.00 0.00 N ATOM 516 CA VAL A 34 -5.774 11.911 5.980 1.00 0.00 C ATOM 517 C VAL A 34 -6.691 12.822 5.171 1.00 0.00 C ATOM 518 O VAL A 34 -6.242 13.799 4.573 1.00 0.00 O ATOM 519 CB VAL A 34 -5.342 10.723 5.101 1.00 0.00 C ATOM 520 CG1 VAL A 34 -4.243 9.924 5.785 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.536 9.836 4.781 1.00 0.00 C ATOM 0 H VAL A 34 -6.362 10.454 7.369 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.888 12.469 6.283 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.945 11.113 4.163 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.951 9.089 5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.380 10.567 5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.610 9.543 6.738 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.213 9.001 4.159 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.964 9.454 5.708 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.288 10.417 4.247 1.00 0.00 H new ATOM 531 N GLY A 35 -7.979 12.494 5.156 1.00 0.00 N ATOM 532 CA GLY A 35 -8.939 13.293 4.417 1.00 0.00 C ATOM 533 C GLY A 35 -9.804 12.455 3.496 1.00 0.00 C ATOM 534 O GLY A 35 -9.839 12.685 2.287 1.00 0.00 O ATOM 0 H GLY A 35 -8.375 11.689 5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.576 13.831 5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.408 14.042 3.830 1.00 0.00 H new ATOM 538 N ARG A 36 -10.502 11.479 4.068 1.00 0.00 N ATOM 539 CA ARG A 36 -11.368 10.602 3.289 1.00 0.00 C ATOM 540 C ARG A 36 -11.993 11.355 2.118 1.00 0.00 C ATOM 541 O ARG A 36 -13.007 12.039 2.258 1.00 0.00 O ATOM 542 CB ARG A 36 -12.467 10.016 4.177 1.00 0.00 C ATOM 543 CG ARG A 36 -13.241 8.884 3.521 1.00 0.00 C ATOM 544 CD ARG A 36 -14.448 9.405 2.756 1.00 0.00 C ATOM 545 NE ARG A 36 -15.153 8.337 2.052 1.00 0.00 N ATOM 546 CZ ARG A 36 -15.925 7.442 2.659 1.00 0.00 C ATOM 547 NH1 ARG A 36 -16.090 7.487 3.973 1.00 0.00 N ATOM 548 NH2 ARG A 36 -16.533 6.500 1.950 1.00 0.00 N ATOM 0 H ARG A 36 -10.485 11.276 5.067 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.759 9.790 2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.019 9.651 5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.162 10.809 4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.585 8.339 2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.569 8.177 4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.132 9.896 3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.125 10.160 2.039 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.047 8.275 1.039 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.624 8.210 4.521 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.683 6.799 4.436 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.408 6.462 0.938 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.126 5.813 2.416 1.00 0.00 H new ATOM 562 N PRO A 37 -11.375 11.227 0.935 1.00 0.00 N ATOM 563 CA PRO A 37 -11.853 11.888 -0.283 1.00 0.00 C ATOM 564 C PRO A 37 -13.160 11.291 -0.792 1.00 0.00 C ATOM 565 O PRO A 37 -13.648 10.296 -0.256 1.00 0.00 O ATOM 566 CB PRO A 37 -10.725 11.639 -1.288 1.00 0.00 C ATOM 567 CG PRO A 37 -10.054 10.400 -0.805 1.00 0.00 C ATOM 568 CD PRO A 37 -10.161 10.428 0.695 1.00 0.00 C ATOM 0 HA PRO A 37 -12.069 12.943 -0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.116 11.510 -2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.031 12.479 -1.320 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.535 9.511 -1.214 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.011 10.372 -1.121 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.252 9.424 1.110 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.283 10.884 1.152 1.00 0.00 H new ATOM 576 N GLN A 38 -13.722 11.904 -1.829 1.00 0.00 N ATOM 577 CA GLN A 38 -14.974 11.432 -2.408 1.00 0.00 C ATOM 578 C GLN A 38 -14.856 9.976 -2.846 1.00 0.00 C ATOM 579 O GLN A 38 -13.776 9.489 -3.184 1.00 0.00 O ATOM 580 CB GLN A 38 -15.369 12.305 -3.601 1.00 0.00 C ATOM 581 CG GLN A 38 -14.420 12.187 -4.782 1.00 0.00 C ATOM 582 CD GLN A 38 -14.848 13.039 -5.961 1.00 0.00 C ATOM 583 OE1 GLN A 38 -16.032 13.113 -6.291 1.00 0.00 O ATOM 584 NE2 GLN A 38 -13.883 13.688 -6.603 1.00 0.00 N ATOM 0 H GLN A 38 -13.330 12.728 -2.285 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.748 11.501 -1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.373 12.031 -3.924 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -15.410 13.346 -3.281 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.418 12.482 -4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -14.362 11.144 -5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.915 13.598 -6.295 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.110 14.277 -7.404 1.00 0.00 H new ATOM 593 N PRO A 39 -15.991 9.262 -2.841 1.00 0.00 N ATOM 594 CA PRO A 39 -16.041 7.851 -3.235 1.00 0.00 C ATOM 595 C PRO A 39 -15.811 7.658 -4.730 1.00 0.00 C ATOM 596 O PRO A 39 -15.877 6.540 -5.239 1.00 0.00 O ATOM 597 CB PRO A 39 -17.461 7.425 -2.852 1.00 0.00 C ATOM 598 CG PRO A 39 -18.254 8.686 -2.881 1.00 0.00 C ATOM 599 CD PRO A 39 -17.314 9.777 -2.450 1.00 0.00 C ATOM 0 HA PRO A 39 -15.261 7.265 -2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.857 6.691 -3.554 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.484 6.965 -1.864 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.643 8.879 -3.881 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -19.112 8.623 -2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.540 10.721 -2.946 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.374 9.958 -1.377 1.00 0.00 H new ATOM 607 N GLY A 40 -15.541 8.756 -5.429 1.00 0.00 N ATOM 608 CA GLY A 40 -15.306 8.686 -6.859 1.00 0.00 C ATOM 609 C GLY A 40 -14.153 7.767 -7.213 1.00 0.00 C ATOM 610 O GLY A 40 -13.826 6.851 -6.458 1.00 0.00 O ATOM 0 H GLY A 40 -15.481 9.693 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.211 8.337 -7.356 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.099 9.686 -7.240 1.00 0.00 H new ATOM 614 N ARG A 41 -13.535 8.011 -8.364 1.00 0.00 N ATOM 615 CA ARG A 41 -12.414 7.197 -8.817 1.00 0.00 C ATOM 616 C ARG A 41 -11.192 8.065 -9.102 1.00 0.00 C ATOM 617 O ARG A 41 -10.094 7.784 -8.624 1.00 0.00 O ATOM 618 CB ARG A 41 -12.800 6.413 -10.073 1.00 0.00 C ATOM 619 CG ARG A 41 -13.948 5.441 -9.855 1.00 0.00 C ATOM 620 CD ARG A 41 -14.744 5.224 -11.132 1.00 0.00 C ATOM 621 NE ARG A 41 -16.008 4.537 -10.879 1.00 0.00 N ATOM 622 CZ ARG A 41 -16.096 3.242 -10.595 1.00 0.00 C ATOM 623 NH1 ARG A 41 -15.001 2.499 -10.528 1.00 0.00 N ATOM 624 NH2 ARG A 41 -17.283 2.689 -10.377 1.00 0.00 N ATOM 0 H ARG A 41 -13.792 8.766 -9.000 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.162 6.495 -8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -13.074 7.116 -10.860 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.930 5.861 -10.428 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.556 4.487 -9.503 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.607 5.823 -9.075 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.943 6.187 -11.603 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.149 4.641 -11.835 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.870 5.081 -10.923 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -14.087 2.921 -10.695 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.072 1.505 -10.310 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.128 3.258 -10.428 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.350 1.695 -10.159 1.00 0.00 H new ATOM 638 N GLU A 42 -11.392 9.121 -9.885 1.00 0.00 N ATOM 639 CA GLU A 42 -10.306 10.029 -10.234 1.00 0.00 C ATOM 640 C GLU A 42 -9.609 10.552 -8.981 1.00 0.00 C ATOM 641 O GLU A 42 -8.395 10.748 -8.969 1.00 0.00 O ATOM 642 CB GLU A 42 -10.837 11.201 -11.062 1.00 0.00 C ATOM 643 CG GLU A 42 -11.339 10.796 -12.438 1.00 0.00 C ATOM 644 CD GLU A 42 -12.319 11.796 -13.019 1.00 0.00 C ATOM 645 OE1 GLU A 42 -11.868 12.850 -13.516 1.00 0.00 O ATOM 646 OE2 GLU A 42 -13.537 11.525 -12.978 1.00 0.00 O ATOM 0 H GLU A 42 -12.295 9.368 -10.289 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.580 9.474 -10.828 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.648 11.683 -10.516 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.046 11.942 -11.177 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.490 10.690 -13.114 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.818 9.819 -12.373 1.00 0.00 H new ATOM 653 N ASN A 43 -10.389 10.776 -7.928 1.00 0.00 N ATOM 654 CA ASN A 43 -9.848 11.278 -6.670 1.00 0.00 C ATOM 655 C ASN A 43 -8.819 10.308 -6.095 1.00 0.00 C ATOM 656 O ASN A 43 -7.724 10.710 -5.701 1.00 0.00 O ATOM 657 CB ASN A 43 -10.975 11.501 -5.659 1.00 0.00 C ATOM 658 CG ASN A 43 -10.506 12.246 -4.425 1.00 0.00 C ATOM 659 OD1 ASN A 43 -9.555 11.832 -3.760 1.00 0.00 O ATOM 660 ND2 ASN A 43 -11.172 13.352 -4.112 1.00 0.00 N ATOM 0 H ASN A 43 -11.397 10.618 -7.921 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.354 12.229 -6.869 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.780 12.062 -6.134 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.389 10.537 -5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.902 13.895 -3.292 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.954 13.658 -4.692 1.00 0.00 H new ATOM 667 N PHE A 44 -9.179 9.030 -6.051 1.00 0.00 N ATOM 668 CA PHE A 44 -8.288 8.003 -5.524 1.00 0.00 C ATOM 669 C PHE A 44 -6.848 8.257 -5.960 1.00 0.00 C ATOM 670 O PHE A 44 -5.921 8.167 -5.156 1.00 0.00 O ATOM 671 CB PHE A 44 -8.738 6.618 -5.994 1.00 0.00 C ATOM 672 CG PHE A 44 -8.166 5.493 -5.178 1.00 0.00 C ATOM 673 CD1 PHE A 44 -8.615 5.257 -3.889 1.00 0.00 C ATOM 674 CD2 PHE A 44 -7.179 4.674 -5.701 1.00 0.00 C ATOM 675 CE1 PHE A 44 -8.091 4.223 -3.136 1.00 0.00 C ATOM 676 CE2 PHE A 44 -6.651 3.638 -4.954 1.00 0.00 C ATOM 677 CZ PHE A 44 -7.107 3.413 -3.669 1.00 0.00 C ATOM 0 H PHE A 44 -10.081 8.681 -6.374 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.332 8.042 -4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.826 6.566 -5.957 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.448 6.485 -7.036 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.383 5.888 -3.467 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.818 4.847 -6.704 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.450 4.049 -2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.883 3.005 -5.374 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.695 2.605 -3.082 1.00 0.00 H new ATOM 687 N GLN A 45 -6.670 8.573 -7.239 1.00 0.00 N ATOM 688 CA GLN A 45 -5.343 8.838 -7.782 1.00 0.00 C ATOM 689 C GLN A 45 -4.667 9.982 -7.034 1.00 0.00 C ATOM 690 O GLN A 45 -3.528 9.858 -6.588 1.00 0.00 O ATOM 691 CB GLN A 45 -5.436 9.172 -9.272 1.00 0.00 C ATOM 692 CG GLN A 45 -4.149 8.908 -10.036 1.00 0.00 C ATOM 693 CD GLN A 45 -3.241 10.121 -10.086 1.00 0.00 C ATOM 694 OE1 GLN A 45 -2.427 10.339 -9.188 1.00 0.00 O ATOM 695 NE2 GLN A 45 -3.375 10.918 -11.140 1.00 0.00 N ATOM 0 H GLN A 45 -7.427 8.652 -7.918 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.740 7.939 -7.655 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.240 8.586 -9.718 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.707 10.222 -9.384 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.617 8.080 -9.569 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.391 8.598 -11.053 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.063 10.699 -11.861 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.790 11.749 -11.229 1.00 0.00 H new ATOM 704 N ASN A 46 -5.379 11.097 -6.900 1.00 0.00 N ATOM 705 CA ASN A 46 -4.847 12.265 -6.207 1.00 0.00 C ATOM 706 C ASN A 46 -4.588 11.952 -4.736 1.00 0.00 C ATOM 707 O ASN A 46 -3.638 12.462 -4.141 1.00 0.00 O ATOM 708 CB ASN A 46 -5.818 13.441 -6.326 1.00 0.00 C ATOM 709 CG ASN A 46 -5.553 14.287 -7.556 1.00 0.00 C ATOM 710 OD1 ASN A 46 -4.441 14.777 -7.759 1.00 0.00 O ATOM 711 ND2 ASN A 46 -6.575 14.463 -8.385 1.00 0.00 N ATOM 0 H ASN A 46 -6.325 11.216 -7.262 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.901 12.535 -6.676 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.840 13.063 -6.362 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.740 14.065 -5.436 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.456 15.023 -9.229 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.479 14.038 -8.178 1.00 0.00 H new ATOM 718 N TRP A 47 -5.437 11.112 -4.157 1.00 0.00 N ATOM 719 CA TRP A 47 -5.300 10.731 -2.756 1.00 0.00 C ATOM 720 C TRP A 47 -3.904 10.185 -2.475 1.00 0.00 C ATOM 721 O TRP A 47 -3.282 10.531 -1.469 1.00 0.00 O ATOM 722 CB TRP A 47 -6.354 9.687 -2.384 1.00 0.00 C ATOM 723 CG TRP A 47 -6.611 9.601 -0.910 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.459 10.600 0.008 1.00 0.00 C ATOM 725 CD2 TRP A 47 -7.063 8.452 -0.185 1.00 0.00 C ATOM 726 NE1 TRP A 47 -6.789 10.142 1.261 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.164 8.828 1.169 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.394 7.144 -0.547 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.581 7.941 2.158 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -7.807 6.265 0.436 1.00 0.00 C ATOM 731 CH2 TRP A 47 -7.899 6.666 1.775 1.00 0.00 C ATOM 0 H TRP A 47 -6.228 10.681 -4.636 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.451 11.622 -2.146 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.287 9.925 -2.895 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.032 8.711 -2.747 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.128 11.603 -0.217 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.759 10.691 2.120 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.328 6.825 -1.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.651 8.248 3.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -8.063 5.251 0.167 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -8.227 5.956 2.519 1.00 0.00 H new ATOM 742 N LEU A 48 -3.417 9.330 -3.367 1.00 0.00 N ATOM 743 CA LEU A 48 -2.093 8.737 -3.215 1.00 0.00 C ATOM 744 C LEU A 48 -1.055 9.505 -4.026 1.00 0.00 C ATOM 745 O LEU A 48 0.147 9.392 -3.784 1.00 0.00 O ATOM 746 CB LEU A 48 -2.117 7.271 -3.652 1.00 0.00 C ATOM 747 CG LEU A 48 -3.432 6.524 -3.427 1.00 0.00 C ATOM 748 CD1 LEU A 48 -3.361 5.126 -4.022 1.00 0.00 C ATOM 749 CD2 LEU A 48 -3.760 6.458 -1.942 1.00 0.00 C ATOM 0 H LEU A 48 -3.919 9.032 -4.203 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.816 8.792 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.874 7.225 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.326 6.741 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.229 7.070 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.306 4.610 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.173 5.196 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.553 4.569 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.699 5.923 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.961 5.935 -1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.855 7.469 -1.545 1.00 0.00 H new ATOM 761 N LYS A 49 -1.527 10.288 -4.990 1.00 0.00 N ATOM 762 CA LYS A 49 -0.641 11.079 -5.836 1.00 0.00 C ATOM 763 C LYS A 49 0.436 11.767 -5.003 1.00 0.00 C ATOM 764 O LYS A 49 1.592 11.856 -5.417 1.00 0.00 O ATOM 765 CB LYS A 49 -1.443 12.123 -6.615 1.00 0.00 C ATOM 766 CG LYS A 49 -0.578 13.096 -7.398 1.00 0.00 C ATOM 767 CD LYS A 49 -0.234 14.325 -6.574 1.00 0.00 C ATOM 768 CE LYS A 49 0.895 15.122 -7.207 1.00 0.00 C ATOM 769 NZ LYS A 49 0.535 15.611 -8.567 1.00 0.00 N ATOM 0 H LYS A 49 -2.519 10.392 -5.205 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.155 10.404 -6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.115 11.612 -7.304 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.066 12.684 -5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.340 12.598 -7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.100 13.400 -8.305 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.116 14.957 -6.476 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.054 14.021 -5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.142 15.971 -6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.788 14.500 -7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.296 16.220 -8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.407 14.800 -9.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.350 16.156 -8.517 1.00 0.00 H new ATOM 783 N ASP A 50 0.049 12.251 -3.828 1.00 0.00 N ATOM 784 CA ASP A 50 0.982 12.929 -2.936 1.00 0.00 C ATOM 785 C ASP A 50 1.866 11.922 -2.207 1.00 0.00 C ATOM 786 O ASP A 50 3.035 12.190 -1.934 1.00 0.00 O ATOM 787 CB ASP A 50 0.221 13.785 -1.922 1.00 0.00 C ATOM 788 CG ASP A 50 1.132 14.727 -1.160 1.00 0.00 C ATOM 789 OD1 ASP A 50 2.288 14.342 -0.887 1.00 0.00 O ATOM 790 OD2 ASP A 50 0.689 15.849 -0.836 1.00 0.00 O ATOM 0 H ASP A 50 -0.904 12.186 -3.471 1.00 0.00 H new ATOM 0 HA ASP A 50 1.619 13.575 -3.540 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.543 14.364 -2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.296 13.134 -1.217 1.00 0.00 H new ATOM 795 N GLY A 51 1.298 10.761 -1.894 1.00 0.00 N ATOM 796 CA GLY A 51 2.049 9.732 -1.198 1.00 0.00 C ATOM 797 C GLY A 51 1.833 9.770 0.302 1.00 0.00 C ATOM 798 O GLY A 51 1.887 8.738 0.971 1.00 0.00 O ATOM 0 H GLY A 51 0.332 10.515 -2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.757 8.753 -1.579 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.111 9.854 -1.412 1.00 0.00 H new ATOM 802 N THR A 52 1.589 10.964 0.833 1.00 0.00 N ATOM 803 CA THR A 52 1.367 11.134 2.263 1.00 0.00 C ATOM 804 C THR A 52 0.373 10.106 2.791 1.00 0.00 C ATOM 805 O THR A 52 0.531 9.584 3.894 1.00 0.00 O ATOM 806 CB THR A 52 0.849 12.548 2.588 1.00 0.00 C ATOM 807 OG1 THR A 52 0.081 13.052 1.489 1.00 0.00 O ATOM 808 CG2 THR A 52 2.004 13.493 2.883 1.00 0.00 C ATOM 0 H THR A 52 1.540 11.828 0.293 1.00 0.00 H new ATOM 0 HA THR A 52 2.330 10.988 2.752 1.00 0.00 H new ATOM 0 HB THR A 52 0.217 12.486 3.474 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.246 13.950 1.703 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.614 14.485 3.110 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.569 13.121 3.738 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.658 13.551 2.013 1.00 0.00 H new ATOM 816 N VAL A 53 -0.654 9.820 1.996 1.00 0.00 N ATOM 817 CA VAL A 53 -1.674 8.853 2.382 1.00 0.00 C ATOM 818 C VAL A 53 -1.120 7.433 2.365 1.00 0.00 C ATOM 819 O VAL A 53 -1.508 6.594 3.178 1.00 0.00 O ATOM 820 CB VAL A 53 -2.898 8.926 1.450 1.00 0.00 C ATOM 821 CG1 VAL A 53 -3.811 7.730 1.673 1.00 0.00 C ATOM 822 CG2 VAL A 53 -3.652 10.230 1.663 1.00 0.00 C ATOM 0 H VAL A 53 -0.801 10.245 1.080 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.983 9.107 3.396 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.549 8.899 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.670 7.799 1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.263 6.811 1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.155 7.722 2.707 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.514 10.265 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.991 10.290 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.993 11.071 1.448 1.00 0.00 H new ATOM 832 N LEU A 54 -0.210 7.171 1.434 1.00 0.00 N ATOM 833 CA LEU A 54 0.400 5.851 1.310 1.00 0.00 C ATOM 834 C LEU A 54 1.294 5.550 2.509 1.00 0.00 C ATOM 835 O LEU A 54 1.396 4.403 2.947 1.00 0.00 O ATOM 836 CB LEU A 54 1.213 5.762 0.018 1.00 0.00 C ATOM 837 CG LEU A 54 0.406 5.641 -1.276 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.246 6.066 -2.470 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.101 4.218 -1.457 1.00 0.00 C ATOM 0 H LEU A 54 0.122 7.855 0.754 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.399 5.110 1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.844 6.648 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.878 4.902 0.090 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.455 6.306 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.656 5.973 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.559 7.102 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.126 5.427 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.673 4.150 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.746 3.533 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.740 3.949 -0.615 1.00 0.00 H new ATOM 851 N CYS A 55 1.937 6.586 3.036 1.00 0.00 N ATOM 852 CA CYS A 55 2.822 6.433 4.185 1.00 0.00 C ATOM 853 C CYS A 55 2.032 6.046 5.431 1.00 0.00 C ATOM 854 O CYS A 55 2.371 5.082 6.117 1.00 0.00 O ATOM 855 CB CYS A 55 3.593 7.729 4.437 1.00 0.00 C ATOM 856 SG CYS A 55 4.810 8.125 3.159 1.00 0.00 S ATOM 0 H CYS A 55 1.862 7.541 2.686 1.00 0.00 H new ATOM 0 HA CYS A 55 3.531 5.635 3.964 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.883 8.552 4.515 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.102 7.655 5.398 1.00 0.00 H new ATOM 0 HG CYS A 55 4.195 8.459 2.063 1.00 0.00 H new ATOM 862 N GLU A 56 0.979 6.805 5.718 1.00 0.00 N ATOM 863 CA GLU A 56 0.143 6.542 6.883 1.00 0.00 C ATOM 864 C GLU A 56 -0.266 5.073 6.939 1.00 0.00 C ATOM 865 O GLU A 56 -0.358 4.483 8.016 1.00 0.00 O ATOM 866 CB GLU A 56 -1.103 7.429 6.856 1.00 0.00 C ATOM 867 CG GLU A 56 -0.830 8.874 7.238 1.00 0.00 C ATOM 868 CD GLU A 56 -0.467 9.032 8.701 1.00 0.00 C ATOM 869 OE1 GLU A 56 -0.793 8.124 9.494 1.00 0.00 O ATOM 870 OE2 GLU A 56 0.143 10.063 9.054 1.00 0.00 O ATOM 0 H GLU A 56 0.685 7.607 5.160 1.00 0.00 H new ATOM 0 HA GLU A 56 0.725 6.773 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.536 7.402 5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.847 7.016 7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.018 9.261 6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.712 9.476 7.019 1.00 0.00 H new ATOM 877 N LEU A 57 -0.511 4.489 5.771 1.00 0.00 N ATOM 878 CA LEU A 57 -0.912 3.089 5.686 1.00 0.00 C ATOM 879 C LEU A 57 0.190 2.174 6.213 1.00 0.00 C ATOM 880 O LEU A 57 0.067 1.598 7.294 1.00 0.00 O ATOM 881 CB LEU A 57 -1.247 2.721 4.239 1.00 0.00 C ATOM 882 CG LEU A 57 -1.563 1.248 3.977 1.00 0.00 C ATOM 883 CD1 LEU A 57 -2.916 0.880 4.565 1.00 0.00 C ATOM 884 CD2 LEU A 57 -1.531 0.954 2.484 1.00 0.00 C ATOM 0 H LEU A 57 -0.439 4.963 4.871 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.799 2.952 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.103 3.317 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.406 3.009 3.608 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.801 0.640 4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.124 -0.172 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.904 1.053 5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.691 1.495 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.758 -0.099 2.316 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.272 1.571 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.540 1.179 2.090 1.00 0.00 H new ATOM 896 N ILE A 58 1.265 2.047 5.443 1.00 0.00 N ATOM 897 CA ILE A 58 2.389 1.206 5.834 1.00 0.00 C ATOM 898 C ILE A 58 2.847 1.525 7.253 1.00 0.00 C ATOM 899 O ILE A 58 3.274 0.639 7.992 1.00 0.00 O ATOM 900 CB ILE A 58 3.580 1.374 4.872 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.650 0.320 5.162 1.00 0.00 C ATOM 902 CG2 ILE A 58 4.162 2.775 4.990 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.454 -0.968 4.394 1.00 0.00 C ATOM 0 H ILE A 58 1.381 2.516 4.545 1.00 0.00 H new ATOM 0 HA ILE A 58 2.041 0.174 5.791 1.00 0.00 H new ATOM 0 HB ILE A 58 3.226 1.234 3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.629 0.732 4.920 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.652 0.100 6.230 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.003 2.879 4.304 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.397 3.509 4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.504 2.942 6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.249 -1.668 4.649 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.489 -1.404 4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.482 -0.762 3.324 1.00 0.00 H new ATOM 915 N ASN A 59 2.753 2.797 7.627 1.00 0.00 N ATOM 916 CA ASN A 59 3.157 3.233 8.959 1.00 0.00 C ATOM 917 C ASN A 59 2.208 2.687 10.021 1.00 0.00 C ATOM 918 O ASN A 59 2.631 2.323 11.118 1.00 0.00 O ATOM 919 CB ASN A 59 3.193 4.761 9.028 1.00 0.00 C ATOM 920 CG ASN A 59 4.517 5.330 8.558 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.583 4.879 8.977 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.455 6.327 7.683 1.00 0.00 N ATOM 0 H ASN A 59 2.401 3.543 7.027 1.00 0.00 H new ATOM 0 HA ASN A 59 4.156 2.843 9.155 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.388 5.169 8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.007 5.080 10.054 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.313 6.751 7.331 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.549 6.669 7.363 1.00 0.00 H new ATOM 929 N ALA A 60 0.923 2.632 9.687 1.00 0.00 N ATOM 930 CA ALA A 60 -0.086 2.128 10.611 1.00 0.00 C ATOM 931 C ALA A 60 0.218 0.693 11.025 1.00 0.00 C ATOM 932 O ALA A 60 0.123 0.342 12.202 1.00 0.00 O ATOM 933 CB ALA A 60 -1.469 2.217 9.982 1.00 0.00 C ATOM 0 H ALA A 60 0.556 2.930 8.783 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.066 2.749 11.507 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.213 1.837 10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.694 3.256 9.742 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.493 1.621 9.070 1.00 0.00 H new ATOM 939 N LEU A 61 0.582 -0.135 10.052 1.00 0.00 N ATOM 940 CA LEU A 61 0.900 -1.534 10.316 1.00 0.00 C ATOM 941 C LEU A 61 2.093 -1.653 11.259 1.00 0.00 C ATOM 942 O LEU A 61 1.940 -2.011 12.427 1.00 0.00 O ATOM 943 CB LEU A 61 1.196 -2.266 9.006 1.00 0.00 C ATOM 944 CG LEU A 61 0.046 -2.334 8.000 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.569 -2.665 6.612 1.00 0.00 C ATOM 946 CD2 LEU A 61 -0.988 -3.361 8.441 1.00 0.00 C ATOM 0 H LEU A 61 0.664 0.138 9.073 1.00 0.00 H new ATOM 0 HA LEU A 61 0.035 -1.993 10.795 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.045 -1.779 8.525 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.505 -3.284 9.244 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.435 -1.357 7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.264 -2.709 5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.271 -1.894 6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.076 -3.630 6.635 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.799 -3.396 7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.519 -4.343 8.510 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.387 -3.080 9.416 1.00 0.00 H new ATOM 958 N TYR A 62 3.279 -1.350 10.745 1.00 0.00 N ATOM 959 CA TYR A 62 4.499 -1.423 11.541 1.00 0.00 C ATOM 960 C TYR A 62 4.327 -0.693 12.869 1.00 0.00 C ATOM 961 O TYR A 62 3.718 0.375 12.946 1.00 0.00 O ATOM 962 CB TYR A 62 5.675 -0.826 10.766 1.00 0.00 C ATOM 963 CG TYR A 62 6.169 -1.707 9.642 1.00 0.00 C ATOM 964 CD1 TYR A 62 6.837 -2.896 9.907 1.00 0.00 C ATOM 965 CD2 TYR A 62 5.969 -1.350 8.314 1.00 0.00 C ATOM 966 CE1 TYR A 62 7.291 -3.704 8.882 1.00 0.00 C ATOM 967 CE2 TYR A 62 6.418 -2.153 7.283 1.00 0.00 C ATOM 968 CZ TYR A 62 7.079 -3.329 7.572 1.00 0.00 C ATOM 969 OH TYR A 62 7.529 -4.130 6.548 1.00 0.00 O ATOM 0 H TYR A 62 3.422 -1.051 9.780 1.00 0.00 H new ATOM 0 HA TYR A 62 4.705 -2.473 11.749 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.377 0.139 10.356 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.497 -0.638 11.457 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.004 -3.194 10.932 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.454 -0.429 8.084 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.809 -4.625 9.106 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.252 -1.862 6.256 1.00 0.00 H new ATOM 0 HH TYR A 62 7.527 -5.066 6.839 1.00 0.00 H new ATOM 979 N PRO A 63 4.877 -1.281 13.942 1.00 0.00 N ATOM 980 CA PRO A 63 4.799 -0.704 15.287 1.00 0.00 C ATOM 981 C PRO A 63 5.642 0.559 15.426 1.00 0.00 C ATOM 982 O PRO A 63 6.175 1.071 14.442 1.00 0.00 O ATOM 983 CB PRO A 63 5.353 -1.816 16.182 1.00 0.00 C ATOM 984 CG PRO A 63 6.241 -2.613 15.291 1.00 0.00 C ATOM 985 CD PRO A 63 5.617 -2.553 13.924 1.00 0.00 C ATOM 0 HA PRO A 63 3.784 -0.398 15.541 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.906 -1.405 17.027 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.551 -2.429 16.593 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.251 -2.202 15.278 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.320 -3.643 15.639 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.371 -2.568 13.137 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.955 -3.401 13.747 1.00 0.00 H new ATOM 993 N GLU A 64 5.757 1.057 16.654 1.00 0.00 N ATOM 994 CA GLU A 64 6.535 2.261 16.919 1.00 0.00 C ATOM 995 C GLU A 64 8.015 2.028 16.630 1.00 0.00 C ATOM 996 O GLU A 64 8.635 1.131 17.199 1.00 0.00 O ATOM 997 CB GLU A 64 6.351 2.704 18.372 1.00 0.00 C ATOM 998 CG GLU A 64 4.896 2.844 18.787 1.00 0.00 C ATOM 999 CD GLU A 64 4.694 2.665 20.279 1.00 0.00 C ATOM 1000 OE1 GLU A 64 4.985 1.563 20.789 1.00 0.00 O ATOM 1001 OE2 GLU A 64 4.246 3.627 20.936 1.00 0.00 O ATOM 0 H GLU A 64 5.322 0.645 17.479 1.00 0.00 H new ATOM 0 HA GLU A 64 6.174 3.049 16.258 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.839 1.983 19.027 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.855 3.659 18.518 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.531 3.827 18.490 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.297 2.107 18.252 1.00 0.00 H new ATOM 1008 N GLY A 65 8.574 2.843 15.741 1.00 0.00 N ATOM 1009 CA GLY A 65 9.976 2.709 15.391 1.00 0.00 C ATOM 1010 C GLY A 65 10.187 1.839 14.168 1.00 0.00 C ATOM 1011 O GLY A 65 11.021 2.147 13.316 1.00 0.00 O ATOM 0 H GLY A 65 8.081 3.594 15.257 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.398 3.697 15.207 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.519 2.283 16.235 1.00 0.00 H new ATOM 1015 N GLN A 66 9.433 0.748 14.081 1.00 0.00 N ATOM 1016 CA GLN A 66 9.544 -0.170 12.954 1.00 0.00 C ATOM 1017 C GLN A 66 9.122 0.508 11.656 1.00 0.00 C ATOM 1018 O GLN A 66 9.705 0.265 10.599 1.00 0.00 O ATOM 1019 CB GLN A 66 8.687 -1.414 13.196 1.00 0.00 C ATOM 1020 CG GLN A 66 9.355 -2.450 14.085 1.00 0.00 C ATOM 1021 CD GLN A 66 9.623 -1.933 15.485 1.00 0.00 C ATOM 1022 OE1 GLN A 66 10.315 -0.931 15.668 1.00 0.00 O ATOM 1023 NE2 GLN A 66 9.073 -2.615 16.483 1.00 0.00 N ATOM 0 H GLN A 66 8.739 0.478 14.778 1.00 0.00 H new ATOM 0 HA GLN A 66 10.588 -0.469 12.863 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.743 -1.112 13.650 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.447 -1.872 12.236 1.00 0.00 H new ATOM 0 HG2 GLN A 66 8.722 -3.335 14.144 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.296 -2.761 13.630 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.507 -3.440 16.286 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.217 -2.314 17.447 1.00 0.00 H new ATOM 1032 N ALA A 67 8.104 1.359 11.742 1.00 0.00 N ATOM 1033 CA ALA A 67 7.605 2.073 10.574 1.00 0.00 C ATOM 1034 C ALA A 67 8.753 2.576 9.705 1.00 0.00 C ATOM 1035 O ALA A 67 9.688 3.221 10.182 1.00 0.00 O ATOM 1036 CB ALA A 67 6.718 3.233 11.003 1.00 0.00 C ATOM 0 H ALA A 67 7.609 1.570 12.609 1.00 0.00 H new ATOM 0 HA ALA A 67 7.013 1.377 9.980 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.352 3.757 10.120 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.872 2.852 11.575 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.293 3.922 11.622 1.00 0.00 H new ATOM 1042 N PRO A 68 8.685 2.276 8.400 1.00 0.00 N ATOM 1043 CA PRO A 68 9.711 2.689 7.438 1.00 0.00 C ATOM 1044 C PRO A 68 9.705 4.194 7.193 1.00 0.00 C ATOM 1045 O PRO A 68 10.754 4.837 7.188 1.00 0.00 O ATOM 1046 CB PRO A 68 9.324 1.937 6.162 1.00 0.00 C ATOM 1047 CG PRO A 68 7.859 1.698 6.293 1.00 0.00 C ATOM 1048 CD PRO A 68 7.600 1.512 7.762 1.00 0.00 C ATOM 0 HA PRO A 68 10.717 2.464 7.793 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.551 2.524 5.272 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.872 0.999 6.074 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.289 2.540 5.900 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.555 0.816 5.728 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.619 1.892 8.048 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.629 0.460 8.045 1.00 0.00 H new ATOM 1056 N VAL A 69 8.515 4.750 6.990 1.00 0.00 N ATOM 1057 CA VAL A 69 8.371 6.180 6.745 1.00 0.00 C ATOM 1058 C VAL A 69 7.985 6.920 8.021 1.00 0.00 C ATOM 1059 O VAL A 69 6.819 6.936 8.414 1.00 0.00 O ATOM 1060 CB VAL A 69 7.313 6.462 5.662 1.00 0.00 C ATOM 1061 CG1 VAL A 69 7.088 7.958 5.511 1.00 0.00 C ATOM 1062 CG2 VAL A 69 7.730 5.840 4.337 1.00 0.00 C ATOM 0 H VAL A 69 7.636 4.232 6.990 1.00 0.00 H new ATOM 0 HA VAL A 69 9.340 6.540 6.398 1.00 0.00 H new ATOM 0 HB VAL A 69 6.371 6.008 5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.337 8.137 4.741 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.742 8.371 6.458 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.023 8.440 5.225 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.972 6.049 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.683 6.264 4.020 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.834 4.762 4.458 1.00 0.00 H new ATOM 1072 N LYS A 70 8.973 7.533 8.665 1.00 0.00 N ATOM 1073 CA LYS A 70 8.738 8.278 9.896 1.00 0.00 C ATOM 1074 C LYS A 70 8.215 9.678 9.595 1.00 0.00 C ATOM 1075 O LYS A 70 7.190 10.098 10.132 1.00 0.00 O ATOM 1076 CB LYS A 70 10.028 8.369 10.715 1.00 0.00 C ATOM 1077 CG LYS A 70 10.210 7.222 11.693 1.00 0.00 C ATOM 1078 CD LYS A 70 9.579 7.532 13.040 1.00 0.00 C ATOM 1079 CE LYS A 70 9.468 6.285 13.904 1.00 0.00 C ATOM 1080 NZ LYS A 70 8.629 6.520 15.112 1.00 0.00 N ATOM 0 H LYS A 70 9.945 7.528 8.354 1.00 0.00 H new ATOM 0 HA LYS A 70 7.983 7.745 10.475 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.879 8.394 10.035 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.033 9.309 11.266 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.764 6.317 11.281 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.273 7.021 11.826 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.175 8.283 13.558 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.588 7.961 12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.039 5.473 13.316 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.464 5.965 14.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.578 5.647 15.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.051 7.277 15.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.671 6.800 14.820 1.00 0.00 H new ATOM 1094 N LYS A 71 8.924 10.396 8.730 1.00 0.00 N ATOM 1095 CA LYS A 71 8.530 11.749 8.354 1.00 0.00 C ATOM 1096 C LYS A 71 7.406 11.721 7.323 1.00 0.00 C ATOM 1097 O LYS A 71 7.535 11.101 6.267 1.00 0.00 O ATOM 1098 CB LYS A 71 9.731 12.515 7.795 1.00 0.00 C ATOM 1099 CG LYS A 71 9.357 13.557 6.755 1.00 0.00 C ATOM 1100 CD LYS A 71 10.423 14.632 6.634 1.00 0.00 C ATOM 1101 CE LYS A 71 10.326 15.368 5.306 1.00 0.00 C ATOM 1102 NZ LYS A 71 9.301 16.447 5.344 1.00 0.00 N ATOM 0 H LYS A 71 9.775 10.063 8.276 1.00 0.00 H new ATOM 0 HA LYS A 71 8.167 12.257 9.247 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.253 13.005 8.617 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.429 11.805 7.351 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.216 13.073 5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 71 8.405 14.016 7.024 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.318 15.343 7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.410 14.179 6.729 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.296 15.797 5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.079 14.660 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.265 16.925 4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.370 16.034 5.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.550 17.137 6.081 1.00 0.00 H new ATOM 1116 N ILE A 72 6.306 12.397 7.635 1.00 0.00 N ATOM 1117 CA ILE A 72 5.161 12.452 6.734 1.00 0.00 C ATOM 1118 C ILE A 72 4.674 13.885 6.550 1.00 0.00 C ATOM 1119 O ILE A 72 4.010 14.442 7.423 1.00 0.00 O ATOM 1120 CB ILE A 72 3.996 11.588 7.252 1.00 0.00 C ATOM 1121 CG1 ILE A 72 4.498 10.196 7.642 1.00 0.00 C ATOM 1122 CG2 ILE A 72 2.903 11.487 6.198 1.00 0.00 C ATOM 1123 CD1 ILE A 72 3.423 9.310 8.232 1.00 0.00 C ATOM 0 H ILE A 72 6.183 12.915 8.505 1.00 0.00 H new ATOM 0 HA ILE A 72 5.496 12.059 5.774 1.00 0.00 H new ATOM 0 HB ILE A 72 3.577 12.063 8.139 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.916 9.709 6.761 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.309 10.300 8.363 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.086 10.873 6.578 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.529 12.484 5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.309 11.031 5.295 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.850 8.339 8.485 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.021 9.776 9.132 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.622 9.176 7.505 1.00 0.00 H new ATOM 1135 N GLN A 73 5.008 14.475 5.407 1.00 0.00 N ATOM 1136 CA GLN A 73 4.604 15.843 5.107 1.00 0.00 C ATOM 1137 C GLN A 73 4.165 15.975 3.652 1.00 0.00 C ATOM 1138 O GLN A 73 4.700 15.305 2.770 1.00 0.00 O ATOM 1139 CB GLN A 73 5.752 16.812 5.396 1.00 0.00 C ATOM 1140 CG GLN A 73 5.310 18.262 5.512 1.00 0.00 C ATOM 1141 CD GLN A 73 4.725 18.587 6.872 1.00 0.00 C ATOM 1142 OE1 GLN A 73 5.083 17.973 7.878 1.00 0.00 O ATOM 1143 NE2 GLN A 73 3.818 19.557 6.910 1.00 0.00 N ATOM 0 H GLN A 73 5.557 14.027 4.674 1.00 0.00 H new ATOM 0 HA GLN A 73 3.758 16.093 5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.242 16.515 6.323 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.494 16.730 4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.163 18.914 5.322 1.00 0.00 H new ATOM 0 HG3 GLN A 73 4.569 18.475 4.742 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.551 20.039 6.052 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.389 19.819 7.797 1.00 0.00 H new ATOM 1152 N ALA A 74 3.188 16.844 3.411 1.00 0.00 N ATOM 1153 CA ALA A 74 2.679 17.065 2.063 1.00 0.00 C ATOM 1154 C ALA A 74 3.398 18.229 1.389 1.00 0.00 C ATOM 1155 O ALA A 74 2.990 19.382 1.521 1.00 0.00 O ATOM 1156 CB ALA A 74 1.180 17.318 2.100 1.00 0.00 C ATOM 0 H ALA A 74 2.734 17.406 4.131 1.00 0.00 H new ATOM 0 HA ALA A 74 2.870 16.166 1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.813 17.481 1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.676 16.454 2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.975 18.200 2.707 1.00 0.00 H new ATOM 1162 N SER A 75 4.469 17.918 0.666 1.00 0.00 N ATOM 1163 CA SER A 75 5.247 18.940 -0.025 1.00 0.00 C ATOM 1164 C SER A 75 4.793 19.080 -1.475 1.00 0.00 C ATOM 1165 O SER A 75 5.079 18.226 -2.314 1.00 0.00 O ATOM 1166 CB SER A 75 6.737 18.596 0.023 1.00 0.00 C ATOM 1167 OG SER A 75 7.286 18.883 1.297 1.00 0.00 O ATOM 0 H SER A 75 4.818 16.967 0.543 1.00 0.00 H new ATOM 0 HA SER A 75 5.084 19.891 0.483 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.877 17.540 -0.207 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.269 19.162 -0.742 1.00 0.00 H new ATOM 0 HG SER A 75 8.239 18.653 1.302 1.00 0.00 H new ATOM 1173 N THR A 76 4.082 20.166 -1.763 1.00 0.00 N ATOM 1174 CA THR A 76 3.586 20.419 -3.110 1.00 0.00 C ATOM 1175 C THR A 76 4.624 20.039 -4.159 1.00 0.00 C ATOM 1176 O THR A 76 4.282 19.557 -5.238 1.00 0.00 O ATOM 1177 CB THR A 76 3.201 21.899 -3.297 1.00 0.00 C ATOM 1178 OG1 THR A 76 2.554 22.390 -2.118 1.00 0.00 O ATOM 1179 CG2 THR A 76 2.280 22.071 -4.496 1.00 0.00 C ATOM 0 H THR A 76 3.837 20.884 -1.081 1.00 0.00 H new ATOM 0 HA THR A 76 2.698 19.800 -3.242 1.00 0.00 H new ATOM 0 HB THR A 76 4.113 22.469 -3.474 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.314 23.332 -2.245 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.022 23.124 -4.608 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.786 21.724 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.371 21.489 -4.343 1.00 0.00 H new ATOM 1187 N MET A 77 5.894 20.260 -3.834 1.00 0.00 N ATOM 1188 CA MET A 77 6.983 19.938 -4.750 1.00 0.00 C ATOM 1189 C MET A 77 6.672 18.672 -5.542 1.00 0.00 C ATOM 1190 O MET A 77 6.751 17.564 -5.014 1.00 0.00 O ATOM 1191 CB MET A 77 8.292 19.761 -3.977 1.00 0.00 C ATOM 1192 CG MET A 77 9.045 21.062 -3.752 1.00 0.00 C ATOM 1193 SD MET A 77 10.138 21.478 -5.124 1.00 0.00 S ATOM 1194 CE MET A 77 9.282 22.887 -5.824 1.00 0.00 C ATOM 0 H MET A 77 6.194 20.660 -2.945 1.00 0.00 H new ATOM 0 HA MET A 77 7.091 20.766 -5.451 1.00 0.00 H new ATOM 0 HB2 MET A 77 8.075 19.304 -3.011 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.934 19.068 -4.520 1.00 0.00 H new ATOM 0 HG2 MET A 77 8.329 21.871 -3.605 1.00 0.00 H new ATOM 0 HG3 MET A 77 9.631 20.984 -2.836 1.00 0.00 H new ATOM 0 HE1 MET A 77 9.488 22.943 -6.893 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.209 22.776 -5.666 1.00 0.00 H new ATOM 0 HE3 MET A 77 9.627 23.800 -5.339 1.00 0.00 H new ATOM 1204 N ALA A 78 6.317 18.846 -6.811 1.00 0.00 N ATOM 1205 CA ALA A 78 5.995 17.717 -7.675 1.00 0.00 C ATOM 1206 C ALA A 78 6.922 16.537 -7.404 1.00 0.00 C ATOM 1207 O ALA A 78 6.469 15.401 -7.254 1.00 0.00 O ATOM 1208 CB ALA A 78 6.079 18.131 -9.137 1.00 0.00 C ATOM 0 H ALA A 78 6.245 19.757 -7.263 1.00 0.00 H new ATOM 0 HA ALA A 78 4.975 17.402 -7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.836 17.278 -9.771 1.00 0.00 H new ATOM 0 HB2 ALA A 78 5.372 18.938 -9.328 1.00 0.00 H new ATOM 0 HB3 ALA A 78 7.089 18.473 -9.361 1.00 0.00 H new ATOM 1214 N PHE A 79 8.220 16.812 -7.342 1.00 0.00 N ATOM 1215 CA PHE A 79 9.211 15.771 -7.091 1.00 0.00 C ATOM 1216 C PHE A 79 8.952 15.086 -5.752 1.00 0.00 C ATOM 1217 O PHE A 79 9.044 13.864 -5.639 1.00 0.00 O ATOM 1218 CB PHE A 79 10.621 16.365 -7.109 1.00 0.00 C ATOM 1219 CG PHE A 79 11.611 15.582 -6.295 1.00 0.00 C ATOM 1220 CD1 PHE A 79 12.224 14.456 -6.820 1.00 0.00 C ATOM 1221 CD2 PHE A 79 11.929 15.973 -5.004 1.00 0.00 C ATOM 1222 CE1 PHE A 79 13.136 13.734 -6.074 1.00 0.00 C ATOM 1223 CE2 PHE A 79 12.841 15.255 -4.253 1.00 0.00 C ATOM 1224 CZ PHE A 79 13.444 14.133 -4.788 1.00 0.00 C ATOM 0 H PHE A 79 8.611 17.746 -7.462 1.00 0.00 H new ATOM 0 HA PHE A 79 9.128 15.026 -7.882 1.00 0.00 H new ATOM 0 HB2 PHE A 79 10.971 16.418 -8.140 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.581 17.387 -6.733 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.986 14.139 -7.825 1.00 0.00 H new ATOM 0 HD2 PHE A 79 11.459 16.848 -4.580 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.607 12.859 -6.496 1.00 0.00 H new ATOM 0 HE2 PHE A 79 13.082 15.571 -3.249 1.00 0.00 H new ATOM 0 HZ PHE A 79 14.155 13.569 -4.202 1.00 0.00 H new ATOM 1234 N LYS A 80 8.629 15.883 -4.739 1.00 0.00 N ATOM 1235 CA LYS A 80 8.356 15.356 -3.407 1.00 0.00 C ATOM 1236 C LYS A 80 7.077 14.526 -3.403 1.00 0.00 C ATOM 1237 O LYS A 80 7.058 13.403 -2.898 1.00 0.00 O ATOM 1238 CB LYS A 80 8.238 16.501 -2.398 1.00 0.00 C ATOM 1239 CG LYS A 80 9.570 17.134 -2.038 1.00 0.00 C ATOM 1240 CD LYS A 80 10.213 16.443 -0.847 1.00 0.00 C ATOM 1241 CE LYS A 80 11.280 17.316 -0.205 1.00 0.00 C ATOM 1242 NZ LYS A 80 12.445 17.522 -1.108 1.00 0.00 N ATOM 0 H LYS A 80 8.550 16.897 -4.815 1.00 0.00 H new ATOM 0 HA LYS A 80 9.187 14.712 -3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.580 17.268 -2.807 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.766 16.126 -1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.241 17.083 -2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.422 18.190 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.448 16.200 -0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.657 15.501 -1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.849 18.282 0.058 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.617 16.854 0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.150 18.122 -0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.872 16.602 -1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.128 17.986 -1.983 1.00 0.00 H new ATOM 1256 N GLN A 81 6.012 15.084 -3.968 1.00 0.00 N ATOM 1257 CA GLN A 81 4.730 14.393 -4.029 1.00 0.00 C ATOM 1258 C GLN A 81 4.902 12.970 -4.550 1.00 0.00 C ATOM 1259 O GLN A 81 4.298 12.032 -4.030 1.00 0.00 O ATOM 1260 CB GLN A 81 3.755 15.161 -4.923 1.00 0.00 C ATOM 1261 CG GLN A 81 3.506 16.589 -4.466 1.00 0.00 C ATOM 1262 CD GLN A 81 2.403 16.687 -3.430 1.00 0.00 C ATOM 1263 OE1 GLN A 81 1.218 16.697 -3.767 1.00 0.00 O ATOM 1264 NE2 GLN A 81 2.787 16.758 -2.161 1.00 0.00 N ATOM 0 H GLN A 81 6.011 16.013 -4.390 1.00 0.00 H new ATOM 0 HA GLN A 81 4.324 14.344 -3.018 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.144 15.177 -5.941 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.805 14.627 -4.953 1.00 0.00 H new ATOM 0 HG2 GLN A 81 4.427 16.999 -4.051 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.244 17.202 -5.329 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.780 16.746 -1.927 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.089 16.824 -1.420 1.00 0.00 H new ATOM 1273 N MET A 82 5.729 12.818 -5.579 1.00 0.00 N ATOM 1274 CA MET A 82 5.981 11.508 -6.169 1.00 0.00 C ATOM 1275 C MET A 82 7.034 10.746 -5.370 1.00 0.00 C ATOM 1276 O MET A 82 6.972 9.522 -5.255 1.00 0.00 O ATOM 1277 CB MET A 82 6.436 11.659 -7.621 1.00 0.00 C ATOM 1278 CG MET A 82 7.868 12.149 -7.762 1.00 0.00 C ATOM 1279 SD MET A 82 8.499 11.979 -9.443 1.00 0.00 S ATOM 1280 CE MET A 82 7.568 13.257 -10.284 1.00 0.00 C ATOM 0 H MET A 82 6.236 13.585 -6.021 1.00 0.00 H new ATOM 0 HA MET A 82 5.051 10.940 -6.145 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.338 10.698 -8.125 1.00 0.00 H new ATOM 0 HB3 MET A 82 5.771 12.356 -8.131 1.00 0.00 H new ATOM 0 HG2 MET A 82 7.921 13.196 -7.463 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.508 11.590 -7.080 1.00 0.00 H new ATOM 0 HE1 MET A 82 7.156 12.857 -11.210 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.755 13.597 -9.642 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.226 14.096 -10.512 1.00 0.00 H new ATOM 1290 N GLU A 83 7.999 11.477 -4.821 1.00 0.00 N ATOM 1291 CA GLU A 83 9.065 10.868 -4.035 1.00 0.00 C ATOM 1292 C GLU A 83 8.499 10.163 -2.805 1.00 0.00 C ATOM 1293 O GLU A 83 8.984 9.104 -2.407 1.00 0.00 O ATOM 1294 CB GLU A 83 10.082 11.928 -3.606 1.00 0.00 C ATOM 1295 CG GLU A 83 11.149 11.400 -2.662 1.00 0.00 C ATOM 1296 CD GLU A 83 12.430 12.209 -2.719 1.00 0.00 C ATOM 1297 OE1 GLU A 83 12.396 13.401 -2.346 1.00 0.00 O ATOM 1298 OE2 GLU A 83 13.467 11.652 -3.137 1.00 0.00 O ATOM 0 H GLU A 83 8.064 12.491 -4.906 1.00 0.00 H new ATOM 0 HA GLU A 83 9.565 10.127 -4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.564 12.337 -4.494 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.555 12.750 -3.122 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.763 11.409 -1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.368 10.362 -2.911 1.00 0.00 H new ATOM 1305 N GLN A 84 7.471 10.759 -2.209 1.00 0.00 N ATOM 1306 CA GLN A 84 6.841 10.189 -1.025 1.00 0.00 C ATOM 1307 C GLN A 84 6.271 8.806 -1.323 1.00 0.00 C ATOM 1308 O GLN A 84 6.299 7.916 -0.473 1.00 0.00 O ATOM 1309 CB GLN A 84 5.731 11.112 -0.518 1.00 0.00 C ATOM 1310 CG GLN A 84 5.455 10.971 0.970 1.00 0.00 C ATOM 1311 CD GLN A 84 6.326 11.881 1.815 1.00 0.00 C ATOM 1312 OE1 GLN A 84 6.679 12.983 1.397 1.00 0.00 O ATOM 1313 NE2 GLN A 84 6.676 11.422 3.011 1.00 0.00 N ATOM 0 H GLN A 84 7.057 11.636 -2.527 1.00 0.00 H new ATOM 0 HA GLN A 84 7.603 10.089 -0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.003 12.146 -0.732 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.815 10.902 -1.070 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.406 11.196 1.164 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.620 9.936 1.270 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.360 10.502 3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.261 11.990 3.624 1.00 0.00 H new ATOM 1322 N ILE A 85 5.754 8.634 -2.535 1.00 0.00 N ATOM 1323 CA ILE A 85 5.178 7.359 -2.945 1.00 0.00 C ATOM 1324 C ILE A 85 6.201 6.233 -2.836 1.00 0.00 C ATOM 1325 O ILE A 85 5.974 5.238 -2.148 1.00 0.00 O ATOM 1326 CB ILE A 85 4.650 7.419 -4.390 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.582 8.507 -4.521 1.00 0.00 C ATOM 1328 CG2 ILE A 85 4.089 6.067 -4.806 1.00 0.00 C ATOM 1329 CD1 ILE A 85 3.145 8.757 -5.948 1.00 0.00 C ATOM 0 H ILE A 85 5.722 9.361 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 85 4.346 7.157 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 85 5.479 7.667 -5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.712 8.224 -3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.967 9.436 -4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.720 6.126 -5.830 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.874 5.313 -4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.271 5.792 -4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.387 9.540 -5.964 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.004 9.071 -6.542 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.729 7.841 -6.367 1.00 0.00 H new ATOM 1341 N SER A 86 7.330 6.399 -3.519 1.00 0.00 N ATOM 1342 CA SER A 86 8.388 5.396 -3.501 1.00 0.00 C ATOM 1343 C SER A 86 8.695 4.956 -2.073 1.00 0.00 C ATOM 1344 O SER A 86 8.743 3.762 -1.777 1.00 0.00 O ATOM 1345 CB SER A 86 9.654 5.947 -4.160 1.00 0.00 C ATOM 1346 OG SER A 86 10.232 6.975 -3.374 1.00 0.00 O ATOM 0 H SER A 86 7.535 7.218 -4.091 1.00 0.00 H new ATOM 0 HA SER A 86 8.042 4.529 -4.064 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.375 5.142 -4.299 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.413 6.334 -5.150 1.00 0.00 H new ATOM 0 HG SER A 86 9.580 7.695 -3.246 1.00 0.00 H new ATOM 1352 N GLN A 87 8.902 5.929 -1.192 1.00 0.00 N ATOM 1353 CA GLN A 87 9.205 5.643 0.206 1.00 0.00 C ATOM 1354 C GLN A 87 8.343 4.497 0.726 1.00 0.00 C ATOM 1355 O GLN A 87 8.821 3.629 1.456 1.00 0.00 O ATOM 1356 CB GLN A 87 8.987 6.891 1.063 1.00 0.00 C ATOM 1357 CG GLN A 87 9.818 8.085 0.622 1.00 0.00 C ATOM 1358 CD GLN A 87 10.168 9.009 1.771 1.00 0.00 C ATOM 1359 OE1 GLN A 87 10.669 8.569 2.807 1.00 0.00 O ATOM 1360 NE2 GLN A 87 9.906 10.299 1.595 1.00 0.00 N ATOM 0 H GLN A 87 8.866 6.922 -1.421 1.00 0.00 H new ATOM 0 HA GLN A 87 10.251 5.345 0.271 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.932 7.162 1.033 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.226 6.656 2.100 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.736 7.731 0.153 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.269 8.645 -0.135 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.490 10.620 0.721 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.120 10.968 2.334 1.00 0.00 H new ATOM 1369 N PHE A 88 7.069 4.502 0.346 1.00 0.00 N ATOM 1370 CA PHE A 88 6.140 3.463 0.775 1.00 0.00 C ATOM 1371 C PHE A 88 6.422 2.149 0.054 1.00 0.00 C ATOM 1372 O PHE A 88 6.485 1.087 0.676 1.00 0.00 O ATOM 1373 CB PHE A 88 4.697 3.901 0.515 1.00 0.00 C ATOM 1374 CG PHE A 88 3.747 2.754 0.327 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.604 1.787 1.310 1.00 0.00 C ATOM 1376 CD2 PHE A 88 2.995 2.641 -0.831 1.00 0.00 C ATOM 1377 CE1 PHE A 88 2.731 0.730 1.140 1.00 0.00 C ATOM 1378 CE2 PHE A 88 2.120 1.586 -1.007 1.00 0.00 C ATOM 1379 CZ PHE A 88 1.987 0.630 -0.020 1.00 0.00 C ATOM 0 H PHE A 88 6.657 5.213 -0.258 1.00 0.00 H new ATOM 0 HA PHE A 88 6.278 3.306 1.845 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.355 4.512 1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.672 4.532 -0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.182 1.861 2.219 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.094 3.387 -1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.630 -0.017 1.913 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.541 1.509 -1.915 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.303 -0.195 -0.154 1.00 0.00 H new ATOM 1389 N LEU A 89 6.590 2.227 -1.261 1.00 0.00 N ATOM 1390 CA LEU A 89 6.866 1.043 -2.069 1.00 0.00 C ATOM 1391 C LEU A 89 8.111 0.320 -1.568 1.00 0.00 C ATOM 1392 O LEU A 89 8.061 -0.864 -1.237 1.00 0.00 O ATOM 1393 CB LEU A 89 7.044 1.434 -3.537 1.00 0.00 C ATOM 1394 CG LEU A 89 5.872 2.173 -4.183 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.280 2.750 -5.529 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.677 1.244 -4.339 1.00 0.00 C ATOM 0 H LEU A 89 6.540 3.097 -1.791 1.00 0.00 H new ATOM 0 HA LEU A 89 6.016 0.366 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.932 2.060 -3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.238 0.529 -4.112 1.00 0.00 H new ATOM 0 HG LEU A 89 5.584 2.997 -3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.432 3.272 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.105 3.449 -5.390 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.596 1.943 -6.190 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.852 1.787 -4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.953 0.399 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.369 0.880 -3.359 1.00 0.00 H new ATOM 1408 N GLN A 90 9.227 1.041 -1.514 1.00 0.00 N ATOM 1409 CA GLN A 90 10.485 0.467 -1.051 1.00 0.00 C ATOM 1410 C GLN A 90 10.249 -0.508 0.097 1.00 0.00 C ATOM 1411 O GLN A 90 10.940 -1.519 0.218 1.00 0.00 O ATOM 1412 CB GLN A 90 11.442 1.575 -0.607 1.00 0.00 C ATOM 1413 CG GLN A 90 12.031 2.369 -1.762 1.00 0.00 C ATOM 1414 CD GLN A 90 13.281 3.131 -1.369 1.00 0.00 C ATOM 1415 OE1 GLN A 90 13.253 3.970 -0.469 1.00 0.00 O ATOM 1416 NE2 GLN A 90 14.388 2.841 -2.043 1.00 0.00 N ATOM 0 H GLN A 90 9.285 2.023 -1.785 1.00 0.00 H new ATOM 0 HA GLN A 90 10.933 -0.080 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.912 2.256 0.058 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.254 1.133 -0.030 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.267 1.690 -2.582 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.284 3.071 -2.134 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.366 2.138 -2.782 1.00 0.00 H new ATOM 0 HE22 GLN A 90 15.260 3.321 -1.822 1.00 0.00 H new ATOM 1425 N ALA A 91 9.269 -0.197 0.939 1.00 0.00 N ATOM 1426 CA ALA A 91 8.941 -1.046 2.078 1.00 0.00 C ATOM 1427 C ALA A 91 7.929 -2.118 1.689 1.00 0.00 C ATOM 1428 O ALA A 91 8.014 -3.259 2.142 1.00 0.00 O ATOM 1429 CB ALA A 91 8.407 -0.205 3.227 1.00 0.00 C ATOM 0 H ALA A 91 8.688 0.637 0.854 1.00 0.00 H new ATOM 0 HA ALA A 91 9.854 -1.546 2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.166 -0.852 4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.163 0.519 3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.508 0.321 2.906 1.00 0.00 H new ATOM 1435 N ALA A 92 6.971 -1.744 0.847 1.00 0.00 N ATOM 1436 CA ALA A 92 5.943 -2.674 0.397 1.00 0.00 C ATOM 1437 C ALA A 92 6.529 -4.058 0.139 1.00 0.00 C ATOM 1438 O ALA A 92 6.074 -5.049 0.708 1.00 0.00 O ATOM 1439 CB ALA A 92 5.265 -2.144 -0.859 1.00 0.00 C ATOM 0 H ALA A 92 6.886 -0.803 0.463 1.00 0.00 H new ATOM 0 HA ALA A 92 5.199 -2.765 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.499 -2.849 -1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.803 -1.180 -0.644 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.006 -2.023 -1.649 1.00 0.00 H new ATOM 1445 N GLU A 93 7.541 -4.116 -0.721 1.00 0.00 N ATOM 1446 CA GLU A 93 8.188 -5.380 -1.054 1.00 0.00 C ATOM 1447 C GLU A 93 8.874 -5.979 0.170 1.00 0.00 C ATOM 1448 O GLU A 93 8.627 -7.129 0.534 1.00 0.00 O ATOM 1449 CB GLU A 93 9.208 -5.176 -2.176 1.00 0.00 C ATOM 1450 CG GLU A 93 10.236 -4.099 -1.875 1.00 0.00 C ATOM 1451 CD GLU A 93 10.823 -3.486 -3.132 1.00 0.00 C ATOM 1452 OE1 GLU A 93 10.045 -3.151 -4.049 1.00 0.00 O ATOM 1453 OE2 GLU A 93 12.062 -3.341 -3.198 1.00 0.00 O ATOM 0 H GLU A 93 7.930 -3.304 -1.199 1.00 0.00 H new ATOM 0 HA GLU A 93 7.419 -6.074 -1.394 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.724 -6.118 -2.362 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.680 -4.916 -3.093 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.772 -3.316 -1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.039 -4.526 -1.274 1.00 0.00 H new ATOM 1460 N ARG A 94 9.738 -5.190 0.802 1.00 0.00 N ATOM 1461 CA ARG A 94 10.462 -5.642 1.984 1.00 0.00 C ATOM 1462 C ARG A 94 9.514 -6.290 2.988 1.00 0.00 C ATOM 1463 O ARG A 94 9.904 -7.184 3.739 1.00 0.00 O ATOM 1464 CB ARG A 94 11.193 -4.469 2.640 1.00 0.00 C ATOM 1465 CG ARG A 94 12.609 -4.269 2.126 1.00 0.00 C ATOM 1466 CD ARG A 94 12.650 -4.236 0.606 1.00 0.00 C ATOM 1467 NE ARG A 94 13.951 -3.801 0.103 1.00 0.00 N ATOM 1468 CZ ARG A 94 14.416 -4.116 -1.101 1.00 0.00 C ATOM 1469 NH1 ARG A 94 13.690 -4.864 -1.921 1.00 0.00 N ATOM 1470 NH2 ARG A 94 15.609 -3.683 -1.487 1.00 0.00 N ATOM 0 H ARG A 94 9.953 -4.235 0.515 1.00 0.00 H new ATOM 0 HA ARG A 94 11.193 -6.386 1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.622 -3.556 2.471 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.226 -4.630 3.718 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.013 -3.337 2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 94 13.247 -5.074 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 94 12.424 -5.228 0.216 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.875 -3.564 0.237 1.00 0.00 H new ATOM 0 HE ARG A 94 14.534 -3.224 0.709 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.772 -5.199 -1.628 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.049 -5.104 -2.845 1.00 0.00 H new ATOM 0 HH21 ARG A 94 16.170 -3.108 -0.859 1.00 0.00 H new ATOM 0 HH22 ARG A 94 15.965 -3.926 -2.412 1.00 0.00 H new ATOM 1484 N TYR A 95 8.266 -5.834 2.995 1.00 0.00 N ATOM 1485 CA TYR A 95 7.262 -6.367 3.908 1.00 0.00 C ATOM 1486 C TYR A 95 6.853 -7.780 3.504 1.00 0.00 C ATOM 1487 O TYR A 95 6.759 -8.675 4.342 1.00 0.00 O ATOM 1488 CB TYR A 95 6.033 -5.456 3.936 1.00 0.00 C ATOM 1489 CG TYR A 95 4.765 -6.164 4.356 1.00 0.00 C ATOM 1490 CD1 TYR A 95 4.426 -6.287 5.698 1.00 0.00 C ATOM 1491 CD2 TYR A 95 3.905 -6.710 3.411 1.00 0.00 C ATOM 1492 CE1 TYR A 95 3.269 -6.933 6.086 1.00 0.00 C ATOM 1493 CE2 TYR A 95 2.745 -7.357 3.789 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.431 -7.466 5.128 1.00 0.00 C ATOM 1495 OH TYR A 95 1.277 -8.110 5.511 1.00 0.00 O ATOM 0 H TYR A 95 7.926 -5.096 2.378 1.00 0.00 H new ATOM 0 HA TYR A 95 7.699 -6.407 4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.220 -4.628 4.619 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.888 -5.025 2.945 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.079 -5.870 6.451 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.148 -6.627 2.362 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.021 -7.021 7.134 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.088 -7.775 3.041 1.00 0.00 H new ATOM 0 HH TYR A 95 1.478 -8.737 6.237 1.00 0.00 H new ATOM 1505 N GLY A 96 6.612 -7.972 2.210 1.00 0.00 N ATOM 1506 CA GLY A 96 6.217 -9.278 1.716 1.00 0.00 C ATOM 1507 C GLY A 96 5.719 -9.229 0.285 1.00 0.00 C ATOM 1508 O GLY A 96 5.908 -10.178 -0.477 1.00 0.00 O ATOM 0 H GLY A 96 6.683 -7.247 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.066 -9.959 1.779 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.434 -9.684 2.356 1.00 0.00 H new ATOM 1512 N ILE A 97 5.081 -8.123 -0.081 1.00 0.00 N ATOM 1513 CA ILE A 97 4.555 -7.955 -1.430 1.00 0.00 C ATOM 1514 C ILE A 97 5.627 -8.237 -2.477 1.00 0.00 C ATOM 1515 O ILE A 97 6.821 -8.159 -2.194 1.00 0.00 O ATOM 1516 CB ILE A 97 4.002 -6.534 -1.646 1.00 0.00 C ATOM 1517 CG1 ILE A 97 2.827 -6.271 -0.702 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.577 -6.346 -3.095 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.501 -4.803 -0.539 1.00 0.00 C ATOM 0 H ILE A 97 4.916 -7.329 0.538 1.00 0.00 H new ATOM 0 HA ILE A 97 3.742 -8.673 -1.544 1.00 0.00 H new ATOM 0 HB ILE A 97 4.790 -5.815 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.946 -6.791 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.055 -6.695 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.188 -5.337 -3.232 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.436 -6.496 -3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.801 -7.070 -3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.658 -4.691 0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.368 -4.281 -0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.242 -4.378 -1.509 1.00 0.00 H new ATOM 1531 N ASN A 98 5.190 -8.564 -3.689 1.00 0.00 N ATOM 1532 CA ASN A 98 6.113 -8.856 -4.781 1.00 0.00 C ATOM 1533 C ASN A 98 6.217 -7.672 -5.737 1.00 0.00 C ATOM 1534 O ASN A 98 5.207 -7.094 -6.141 1.00 0.00 O ATOM 1535 CB ASN A 98 5.656 -10.102 -5.542 1.00 0.00 C ATOM 1536 CG ASN A 98 6.817 -10.867 -6.147 1.00 0.00 C ATOM 1537 OD1 ASN A 98 7.979 -10.505 -5.960 1.00 0.00 O ATOM 1538 ND2 ASN A 98 6.507 -11.932 -6.878 1.00 0.00 N ATOM 0 H ASN A 98 4.204 -8.633 -3.940 1.00 0.00 H new ATOM 0 HA ASN A 98 7.098 -9.041 -4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.106 -10.756 -4.866 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.966 -9.809 -6.333 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.246 -12.486 -7.311 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.530 -12.196 -7.007 1.00 0.00 H new ATOM 1545 N THR A 99 7.446 -7.314 -6.097 1.00 0.00 N ATOM 1546 CA THR A 99 7.683 -6.199 -7.005 1.00 0.00 C ATOM 1547 C THR A 99 6.911 -6.377 -8.307 1.00 0.00 C ATOM 1548 O THR A 99 6.413 -5.410 -8.884 1.00 0.00 O ATOM 1549 CB THR A 99 9.181 -6.045 -7.326 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.679 -7.245 -7.929 1.00 0.00 O ATOM 1551 CG2 THR A 99 9.976 -5.738 -6.066 1.00 0.00 C ATOM 0 H THR A 99 8.293 -7.781 -5.773 1.00 0.00 H new ATOM 0 HA THR A 99 7.333 -5.299 -6.499 1.00 0.00 H new ATOM 0 HB THR A 99 9.297 -5.214 -8.022 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.632 -7.138 -8.132 1.00 0.00 H new ATOM 0 HG21 THR A 99 11.031 -5.634 -6.318 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.615 -4.809 -5.625 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.853 -6.551 -5.351 1.00 0.00 H new ATOM 1559 N THR A 100 6.813 -7.621 -8.767 1.00 0.00 N ATOM 1560 CA THR A 100 6.102 -7.926 -10.002 1.00 0.00 C ATOM 1561 C THR A 100 4.682 -7.375 -9.969 1.00 0.00 C ATOM 1562 O THR A 100 4.030 -7.249 -11.005 1.00 0.00 O ATOM 1563 CB THR A 100 6.046 -9.444 -10.258 1.00 0.00 C ATOM 1564 OG1 THR A 100 5.244 -9.717 -11.412 1.00 0.00 O ATOM 1565 CG2 THR A 100 5.474 -10.175 -9.052 1.00 0.00 C ATOM 0 H THR A 100 7.218 -8.434 -8.302 1.00 0.00 H new ATOM 0 HA THR A 100 6.655 -7.449 -10.811 1.00 0.00 H new ATOM 0 HB THR A 100 7.062 -9.799 -10.430 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.215 -10.684 -11.569 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.444 -11.245 -9.256 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.103 -9.989 -8.182 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.464 -9.815 -8.854 1.00 0.00 H new ATOM 1573 N ASP A 101 4.207 -7.047 -8.772 1.00 0.00 N ATOM 1574 CA ASP A 101 2.863 -6.507 -8.604 1.00 0.00 C ATOM 1575 C ASP A 101 2.913 -5.017 -8.277 1.00 0.00 C ATOM 1576 O ASP A 101 2.081 -4.241 -8.748 1.00 0.00 O ATOM 1577 CB ASP A 101 2.122 -7.260 -7.498 1.00 0.00 C ATOM 1578 CG ASP A 101 1.360 -8.459 -8.025 1.00 0.00 C ATOM 1579 OD1 ASP A 101 0.188 -8.290 -8.424 1.00 0.00 O ATOM 1580 OD2 ASP A 101 1.935 -9.568 -8.040 1.00 0.00 O ATOM 0 H ASP A 101 4.733 -7.146 -7.904 1.00 0.00 H new ATOM 0 HA ASP A 101 2.326 -6.637 -9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.838 -7.590 -6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.428 -6.581 -7.002 1.00 0.00 H new ATOM 1585 N ILE A 102 3.891 -4.627 -7.467 1.00 0.00 N ATOM 1586 CA ILE A 102 4.048 -3.231 -7.078 1.00 0.00 C ATOM 1587 C ILE A 102 3.997 -2.312 -8.293 1.00 0.00 C ATOM 1588 O ILE A 102 4.731 -2.504 -9.262 1.00 0.00 O ATOM 1589 CB ILE A 102 5.375 -3.001 -6.330 1.00 0.00 C ATOM 1590 CG1 ILE A 102 5.406 -3.819 -5.037 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.567 -1.522 -6.033 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.552 -3.455 -4.119 1.00 0.00 C ATOM 0 H ILE A 102 4.586 -5.257 -7.067 1.00 0.00 H new ATOM 0 HA ILE A 102 3.218 -2.994 -6.412 1.00 0.00 H new ATOM 0 HB ILE A 102 6.195 -3.332 -6.967 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.466 -3.678 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.474 -4.878 -5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.509 -1.376 -5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.586 -0.962 -6.968 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.744 -1.166 -5.413 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.511 -4.074 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.498 -3.623 -4.634 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.474 -2.405 -3.838 1.00 0.00 H new ATOM 1604 N PHE A 103 3.125 -1.311 -8.234 1.00 0.00 N ATOM 1605 CA PHE A 103 2.977 -0.360 -9.330 1.00 0.00 C ATOM 1606 C PHE A 103 4.208 0.535 -9.442 1.00 0.00 C ATOM 1607 O PHE A 103 5.190 0.350 -8.724 1.00 0.00 O ATOM 1608 CB PHE A 103 1.726 0.497 -9.125 1.00 0.00 C ATOM 1609 CG PHE A 103 1.759 1.314 -7.865 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.404 0.751 -6.649 1.00 0.00 C ATOM 1611 CD2 PHE A 103 2.146 2.644 -7.895 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.432 1.500 -5.489 1.00 0.00 C ATOM 1613 CE2 PHE A 103 2.177 3.398 -6.737 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.820 2.825 -5.532 1.00 0.00 C ATOM 0 H PHE A 103 2.510 -1.137 -7.439 1.00 0.00 H new ATOM 0 HA PHE A 103 2.874 -0.924 -10.257 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.609 1.165 -9.979 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.850 -0.152 -9.105 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.102 -0.285 -6.608 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.427 3.097 -8.834 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.151 1.050 -4.548 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.480 4.434 -6.774 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.844 3.412 -4.626 1.00 0.00 H new ATOM 1624 N GLN A 104 4.146 1.505 -10.349 1.00 0.00 N ATOM 1625 CA GLN A 104 5.255 2.428 -10.557 1.00 0.00 C ATOM 1626 C GLN A 104 4.909 3.820 -10.040 1.00 0.00 C ATOM 1627 O GLN A 104 3.790 4.301 -10.220 1.00 0.00 O ATOM 1628 CB GLN A 104 5.617 2.498 -12.042 1.00 0.00 C ATOM 1629 CG GLN A 104 6.664 1.479 -12.462 1.00 0.00 C ATOM 1630 CD GLN A 104 7.839 1.422 -11.506 1.00 0.00 C ATOM 1631 OE1 GLN A 104 8.521 2.422 -11.281 1.00 0.00 O ATOM 1632 NE2 GLN A 104 8.083 0.247 -10.936 1.00 0.00 N ATOM 0 H GLN A 104 3.340 1.672 -10.951 1.00 0.00 H new ATOM 0 HA GLN A 104 6.114 2.056 -9.998 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.715 2.345 -12.635 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.983 3.499 -12.271 1.00 0.00 H new ATOM 0 HG2 GLN A 104 6.202 0.494 -12.523 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.025 1.725 -13.461 1.00 0.00 H new ATOM 0 HE21 GLN A 104 7.492 -0.556 -11.151 1.00 0.00 H new ATOM 0 HE22 GLN A 104 8.861 0.148 -10.284 1.00 0.00 H new ATOM 1641 N THR A 105 5.877 4.465 -9.396 1.00 0.00 N ATOM 1642 CA THR A 105 5.675 5.801 -8.851 1.00 0.00 C ATOM 1643 C THR A 105 4.879 6.673 -9.815 1.00 0.00 C ATOM 1644 O THR A 105 3.875 7.277 -9.438 1.00 0.00 O ATOM 1645 CB THR A 105 7.017 6.490 -8.541 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.751 5.723 -7.580 1.00 0.00 O ATOM 1647 CG2 THR A 105 6.792 7.898 -8.009 1.00 0.00 C ATOM 0 H THR A 105 6.810 4.083 -9.239 1.00 0.00 H new ATOM 0 HA THR A 105 5.114 5.683 -7.924 1.00 0.00 H new ATOM 0 HB THR A 105 7.589 6.555 -9.466 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.604 6.167 -7.390 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.754 8.365 -7.797 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.259 8.488 -8.755 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.202 7.851 -7.094 1.00 0.00 H new ATOM 1655 N VAL A 106 5.334 6.734 -11.063 1.00 0.00 N ATOM 1656 CA VAL A 106 4.663 7.532 -12.082 1.00 0.00 C ATOM 1657 C VAL A 106 3.263 6.998 -12.365 1.00 0.00 C ATOM 1658 O VAL A 106 2.304 7.763 -12.465 1.00 0.00 O ATOM 1659 CB VAL A 106 5.466 7.554 -13.396 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.448 6.185 -14.058 1.00 0.00 C ATOM 1661 CG2 VAL A 106 4.919 8.617 -14.337 1.00 0.00 C ATOM 0 H VAL A 106 6.164 6.241 -11.392 1.00 0.00 H new ATOM 0 HA VAL A 106 4.590 8.547 -11.691 1.00 0.00 H new ATOM 0 HB VAL A 106 6.501 7.804 -13.163 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.021 6.221 -14.985 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.891 5.450 -13.386 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.419 5.901 -14.278 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.498 8.618 -15.260 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.875 8.400 -14.564 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.991 9.595 -13.862 1.00 0.00 H new ATOM 1671 N ASP A 107 3.153 5.680 -12.492 1.00 0.00 N ATOM 1672 CA ASP A 107 1.870 5.042 -12.761 1.00 0.00 C ATOM 1673 C ASP A 107 0.759 5.687 -11.938 1.00 0.00 C ATOM 1674 O ASP A 107 -0.283 6.069 -12.473 1.00 0.00 O ATOM 1675 CB ASP A 107 1.945 3.546 -12.454 1.00 0.00 C ATOM 1676 CG ASP A 107 0.868 2.753 -13.168 1.00 0.00 C ATOM 1677 OD1 ASP A 107 -0.296 2.793 -12.718 1.00 0.00 O ATOM 1678 OD2 ASP A 107 1.190 2.093 -14.178 1.00 0.00 O ATOM 0 H ASP A 107 3.937 5.033 -12.413 1.00 0.00 H new ATOM 0 HA ASP A 107 1.640 5.177 -13.818 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.925 3.167 -12.746 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.851 3.394 -11.379 1.00 0.00 H new ATOM 1683 N LEU A 108 0.987 5.805 -10.635 1.00 0.00 N ATOM 1684 CA LEU A 108 0.005 6.403 -9.737 1.00 0.00 C ATOM 1685 C LEU A 108 0.086 7.926 -9.779 1.00 0.00 C ATOM 1686 O LEU A 108 -0.930 8.607 -9.925 1.00 0.00 O ATOM 1687 CB LEU A 108 0.226 5.909 -8.306 1.00 0.00 C ATOM 1688 CG LEU A 108 -0.546 6.650 -7.214 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -2.025 6.302 -7.275 1.00 0.00 C ATOM 1690 CD2 LEU A 108 0.025 6.322 -5.842 1.00 0.00 C ATOM 0 H LEU A 108 1.843 5.494 -10.176 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.988 6.100 -10.070 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.044 4.854 -8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.290 5.976 -8.080 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.439 7.721 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.558 6.839 -6.490 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.426 6.588 -8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.153 5.229 -7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.536 6.858 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.051 5.249 -5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.072 6.623 -5.802 1.00 0.00 H new ATOM 1702 N TRP A 109 1.298 8.453 -9.652 1.00 0.00 N ATOM 1703 CA TRP A 109 1.511 9.896 -9.678 1.00 0.00 C ATOM 1704 C TRP A 109 0.705 10.545 -10.798 1.00 0.00 C ATOM 1705 O TRP A 109 -0.227 11.306 -10.542 1.00 0.00 O ATOM 1706 CB TRP A 109 2.997 10.210 -9.855 1.00 0.00 C ATOM 1707 CG TRP A 109 3.377 11.576 -9.371 1.00 0.00 C ATOM 1708 CD1 TRP A 109 3.180 12.087 -8.120 1.00 0.00 C ATOM 1709 CD2 TRP A 109 4.018 12.607 -10.131 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.659 13.373 -8.056 1.00 0.00 N ATOM 1711 CE2 TRP A 109 4.180 13.715 -9.276 1.00 0.00 C ATOM 1712 CE3 TRP A 109 4.474 12.700 -11.448 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 4.776 14.900 -9.699 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 5.065 13.877 -11.867 1.00 0.00 C ATOM 1715 CH2 TRP A 109 5.212 14.964 -10.994 1.00 0.00 C ATOM 0 H TRP A 109 2.148 7.903 -9.530 1.00 0.00 H new ATOM 0 HA TRP A 109 1.171 10.305 -8.727 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.585 9.466 -9.318 1.00 0.00 H new ATOM 0 HB3 TRP A 109 3.257 10.121 -10.910 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.716 11.558 -7.301 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.631 13.976 -7.233 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.367 11.867 -12.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 4.890 15.739 -9.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 5.419 13.961 -12.884 1.00 0.00 H new ATOM 0 HH2 TRP A 109 5.679 15.870 -11.351 1.00 0.00 H new ATOM 1726 N GLU A 110 1.070 10.238 -12.039 1.00 0.00 N ATOM 1727 CA GLU A 110 0.379 10.793 -13.197 1.00 0.00 C ATOM 1728 C GLU A 110 -0.969 10.110 -13.406 1.00 0.00 C ATOM 1729 O GLU A 110 -1.766 10.528 -14.245 1.00 0.00 O ATOM 1730 CB GLU A 110 1.240 10.642 -14.453 1.00 0.00 C ATOM 1731 CG GLU A 110 2.238 11.771 -14.647 1.00 0.00 C ATOM 1732 CD GLU A 110 1.591 13.038 -15.172 1.00 0.00 C ATOM 1733 OE1 GLU A 110 0.801 12.944 -16.134 1.00 0.00 O ATOM 1734 OE2 GLU A 110 1.875 14.122 -14.621 1.00 0.00 O ATOM 0 H GLU A 110 1.839 9.609 -12.268 1.00 0.00 H new ATOM 0 HA GLU A 110 0.204 11.853 -13.010 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.780 9.696 -14.402 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.589 10.590 -15.326 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.728 11.985 -13.697 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.014 11.449 -15.341 1.00 0.00 H new ATOM 1741 N GLY A 111 -1.217 9.055 -12.635 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.469 8.330 -12.751 1.00 0.00 C ATOM 1743 C GLY A 111 -2.599 7.606 -14.077 1.00 0.00 C ATOM 1744 O GLY A 111 -3.686 7.536 -14.651 1.00 0.00 O ATOM 0 H GLY A 111 -0.574 8.690 -11.933 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.544 7.608 -11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.300 9.026 -12.637 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.487 7.067 -14.566 1.00 0.00 N ATOM 1749 CA LYS A 112 -1.480 6.345 -15.833 1.00 0.00 C ATOM 1750 C LYS A 112 -2.396 5.127 -15.770 1.00 0.00 C ATOM 1751 O LYS A 112 -3.336 5.004 -16.555 1.00 0.00 O ATOM 1752 CB LYS A 112 -0.057 5.908 -16.187 1.00 0.00 C ATOM 1753 CG LYS A 112 0.864 7.063 -16.541 1.00 0.00 C ATOM 1754 CD LYS A 112 1.981 6.620 -17.471 1.00 0.00 C ATOM 1755 CE LYS A 112 2.549 7.792 -18.257 1.00 0.00 C ATOM 1756 NZ LYS A 112 3.637 8.484 -17.512 1.00 0.00 N ATOM 0 H LYS A 112 -0.579 7.117 -14.104 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.850 7.017 -16.607 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.367 5.362 -15.344 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.097 5.216 -17.028 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.288 7.857 -17.016 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.292 7.481 -15.630 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.775 6.151 -16.890 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.603 5.866 -18.162 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.933 7.436 -19.213 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.752 8.502 -18.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.998 9.276 -18.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.265 8.846 -16.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.409 7.814 -17.323 1.00 0.00 H new ATOM 1770 N ASN A 113 -2.116 4.229 -14.831 1.00 0.00 N ATOM 1771 CA ASN A 113 -2.916 3.021 -14.665 1.00 0.00 C ATOM 1772 C ASN A 113 -3.472 2.926 -13.248 1.00 0.00 C ATOM 1773 O ASN A 113 -2.833 2.369 -12.356 1.00 0.00 O ATOM 1774 CB ASN A 113 -2.077 1.781 -14.980 1.00 0.00 C ATOM 1775 CG ASN A 113 -2.088 1.435 -16.456 1.00 0.00 C ATOM 1776 OD1 ASN A 113 -2.456 2.257 -17.295 1.00 0.00 O ATOM 1777 ND2 ASN A 113 -1.683 0.212 -16.780 1.00 0.00 N ATOM 0 H ASN A 113 -1.341 4.315 -14.173 1.00 0.00 H new ATOM 0 HA ASN A 113 -3.753 3.072 -15.361 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -1.050 1.949 -14.657 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -2.457 0.934 -14.408 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.669 -0.078 -17.758 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.386 -0.437 -16.051 1.00 0.00 H new ATOM 1784 N MET A 114 -4.666 3.475 -13.048 1.00 0.00 N ATOM 1785 CA MET A 114 -5.309 3.451 -11.739 1.00 0.00 C ATOM 1786 C MET A 114 -5.760 2.038 -11.381 1.00 0.00 C ATOM 1787 O MET A 114 -6.294 1.803 -10.298 1.00 0.00 O ATOM 1788 CB MET A 114 -6.507 4.402 -11.718 1.00 0.00 C ATOM 1789 CG MET A 114 -6.162 5.803 -11.240 1.00 0.00 C ATOM 1790 SD MET A 114 -6.360 5.998 -9.459 1.00 0.00 S ATOM 1791 CE MET A 114 -4.913 5.128 -8.860 1.00 0.00 C ATOM 0 H MET A 114 -5.208 3.942 -13.775 1.00 0.00 H new ATOM 0 HA MET A 114 -4.581 3.780 -10.998 1.00 0.00 H new ATOM 0 HB2 MET A 114 -6.930 4.463 -12.721 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.279 3.986 -11.071 1.00 0.00 H new ATOM 0 HG2 MET A 114 -5.132 6.033 -11.514 1.00 0.00 H new ATOM 0 HG3 MET A 114 -6.798 6.525 -11.753 1.00 0.00 H new ATOM 0 HE1 MET A 114 -4.682 5.460 -7.848 1.00 0.00 H new ATOM 0 HE2 MET A 114 -5.109 4.056 -8.855 1.00 0.00 H new ATOM 0 HE3 MET A 114 -4.066 5.338 -9.513 1.00 0.00 H new ATOM 1801 N ALA A 115 -5.541 1.102 -12.298 1.00 0.00 N ATOM 1802 CA ALA A 115 -5.923 -0.288 -12.078 1.00 0.00 C ATOM 1803 C ALA A 115 -4.720 -1.130 -11.668 1.00 0.00 C ATOM 1804 O ALA A 115 -4.861 -2.303 -11.320 1.00 0.00 O ATOM 1805 CB ALA A 115 -6.570 -0.862 -13.329 1.00 0.00 C ATOM 0 H ALA A 115 -5.101 1.281 -13.201 1.00 0.00 H new ATOM 0 HA ALA A 115 -6.647 -0.315 -11.263 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.850 -1.900 -13.150 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.460 -0.284 -13.576 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -5.864 -0.814 -14.158 1.00 0.00 H new ATOM 1811 N CYS A 116 -3.538 -0.525 -11.712 1.00 0.00 N ATOM 1812 CA CYS A 116 -2.309 -1.220 -11.346 1.00 0.00 C ATOM 1813 C CYS A 116 -2.068 -1.143 -9.843 1.00 0.00 C ATOM 1814 O CYS A 116 -1.928 -2.166 -9.172 1.00 0.00 O ATOM 1815 CB CYS A 116 -1.118 -0.624 -12.098 1.00 0.00 C ATOM 1816 SG CYS A 116 0.208 -1.806 -12.437 1.00 0.00 S ATOM 0 H CYS A 116 -3.405 0.445 -11.997 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.417 -2.268 -11.624 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -1.470 -0.208 -13.042 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.712 0.204 -11.516 1.00 0.00 H new ATOM 0 HG CYS A 116 1.169 -1.209 -13.078 1.00 0.00 H new ATOM 1822 N VAL A 117 -2.018 0.078 -9.319 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.792 0.290 -7.894 1.00 0.00 C ATOM 1824 C VAL A 117 -2.920 -0.313 -7.063 1.00 0.00 C ATOM 1825 O VAL A 117 -2.686 -0.852 -5.981 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.669 1.789 -7.562 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.674 2.598 -8.367 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -1.859 2.021 -6.070 1.00 0.00 C ATOM 0 H VAL A 117 -2.131 0.935 -9.860 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.855 -0.208 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.668 2.123 -7.834 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.572 3.655 -8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.487 2.455 -9.431 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.684 2.265 -8.128 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.769 3.085 -5.853 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.847 1.672 -5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.097 1.472 -5.517 1.00 0.00 H new ATOM 1838 N GLN A 118 -4.141 -0.219 -7.578 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.306 -0.755 -6.882 1.00 0.00 C ATOM 1840 C GLN A 118 -5.002 -2.128 -6.291 1.00 0.00 C ATOM 1841 O GLN A 118 -5.471 -2.463 -5.203 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.497 -0.850 -7.837 1.00 0.00 C ATOM 1843 CG GLN A 118 -7.357 0.403 -7.863 1.00 0.00 C ATOM 1844 CD GLN A 118 -8.183 0.571 -6.603 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -8.922 -0.469 -6.237 1.00 0.00 O flip ATOM 1846 NE2 GLN A 118 -8.156 1.624 -5.966 1.00 0.00 N flip ATOM 0 H GLN A 118 -4.350 0.222 -8.473 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.556 -0.076 -6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.130 -1.050 -8.844 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.116 -1.700 -7.549 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -6.717 1.276 -7.992 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -8.022 0.365 -8.726 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.573 2.398 -6.285 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.717 1.723 -5.120 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.216 -2.918 -7.015 1.00 0.00 N ATOM 1856 CA ARG A 119 -3.851 -4.255 -6.562 1.00 0.00 C ATOM 1857 C ARG A 119 -2.802 -4.187 -5.456 1.00 0.00 C ATOM 1858 O ARG A 119 -3.002 -4.717 -4.363 1.00 0.00 O ATOM 1859 CB ARG A 119 -3.320 -5.085 -7.733 1.00 0.00 C ATOM 1860 CG ARG A 119 -2.831 -6.466 -7.327 1.00 0.00 C ATOM 1861 CD ARG A 119 -2.619 -7.360 -8.539 1.00 0.00 C ATOM 1862 NE ARG A 119 -2.472 -8.764 -8.164 1.00 0.00 N ATOM 1863 CZ ARG A 119 -2.190 -9.730 -9.031 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -2.025 -9.446 -10.315 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -2.071 -10.984 -8.613 1.00 0.00 N ATOM 0 H ARG A 119 -3.820 -2.655 -7.917 1.00 0.00 H new ATOM 0 HA ARG A 119 -4.745 -4.733 -6.162 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.108 -5.192 -8.478 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.502 -4.544 -8.209 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -1.897 -6.374 -6.773 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.555 -6.927 -6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.463 -7.253 -9.220 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -1.730 -7.034 -9.079 1.00 0.00 H new ATOM 0 HE ARG A 119 -2.592 -9.016 -7.183 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -2.114 -8.483 -10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -1.809 -10.190 -10.978 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -2.196 -11.206 -7.625 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -1.854 -11.725 -9.279 1.00 0.00 H new ATOM 1879 N THR A 120 -1.683 -3.531 -5.748 1.00 0.00 N ATOM 1880 CA THR A 120 -0.602 -3.396 -4.779 1.00 0.00 C ATOM 1881 C THR A 120 -1.149 -3.186 -3.372 1.00 0.00 C ATOM 1882 O THR A 120 -0.728 -3.853 -2.426 1.00 0.00 O ATOM 1883 CB THR A 120 0.328 -2.222 -5.137 1.00 0.00 C ATOM 1884 OG1 THR A 120 1.037 -2.510 -6.347 1.00 0.00 O ATOM 1885 CG2 THR A 120 1.319 -1.955 -4.014 1.00 0.00 C ATOM 0 H THR A 120 -1.502 -3.085 -6.647 1.00 0.00 H new ATOM 0 HA THR A 120 -0.031 -4.324 -4.809 1.00 0.00 H new ATOM 0 HB THR A 120 -0.285 -1.332 -5.279 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.519 -2.189 -7.114 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.965 -1.122 -4.290 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.777 -1.707 -3.101 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.926 -2.844 -3.845 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.088 -2.256 -3.239 1.00 0.00 N ATOM 1894 CA LEU A 121 -2.693 -1.958 -1.946 1.00 0.00 C ATOM 1895 C LEU A 121 -3.322 -3.208 -1.338 1.00 0.00 C ATOM 1896 O LEU A 121 -2.870 -3.703 -0.306 1.00 0.00 O ATOM 1897 CB LEU A 121 -3.750 -0.862 -2.095 1.00 0.00 C ATOM 1898 CG LEU A 121 -3.254 0.480 -2.635 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -4.381 1.500 -2.647 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -2.082 0.987 -1.807 1.00 0.00 C ATOM 0 H LEU A 121 -2.447 -1.695 -4.011 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.907 -1.607 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.535 -1.229 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.208 -0.692 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.913 0.334 -3.660 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.009 2.449 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.190 1.141 -3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.753 1.643 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.742 1.943 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.397 1.117 -0.772 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.267 0.265 -1.850 1.00 0.00 H new ATOM 1912 N MET A 122 -4.366 -3.714 -1.987 1.00 0.00 N ATOM 1913 CA MET A 122 -5.055 -4.908 -1.513 1.00 0.00 C ATOM 1914 C MET A 122 -4.061 -5.926 -0.961 1.00 0.00 C ATOM 1915 O MET A 122 -4.214 -6.412 0.158 1.00 0.00 O ATOM 1916 CB MET A 122 -5.870 -5.536 -2.645 1.00 0.00 C ATOM 1917 CG MET A 122 -7.214 -4.863 -2.871 1.00 0.00 C ATOM 1918 SD MET A 122 -8.240 -4.843 -1.389 1.00 0.00 S ATOM 1919 CE MET A 122 -8.893 -6.511 -1.406 1.00 0.00 C ATOM 0 H MET A 122 -4.753 -3.315 -2.842 1.00 0.00 H new ATOM 0 HA MET A 122 -5.730 -4.613 -0.710 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.291 -5.491 -3.567 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.034 -6.590 -2.422 1.00 0.00 H new ATOM 0 HG2 MET A 122 -7.051 -3.840 -3.209 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.746 -5.381 -3.669 1.00 0.00 H new ATOM 0 HE1 MET A 122 -9.959 -6.487 -1.178 1.00 0.00 H new ATOM 0 HE2 MET A 122 -8.743 -6.950 -2.392 1.00 0.00 H new ATOM 0 HE3 MET A 122 -8.375 -7.112 -0.659 1.00 0.00 H new ATOM 1929 N ASN A 123 -3.044 -6.243 -1.755 1.00 0.00 N ATOM 1930 CA ASN A 123 -2.026 -7.204 -1.346 1.00 0.00 C ATOM 1931 C ASN A 123 -1.601 -6.964 0.100 1.00 0.00 C ATOM 1932 O ASN A 123 -1.598 -7.885 0.918 1.00 0.00 O ATOM 1933 CB ASN A 123 -0.808 -7.113 -2.269 1.00 0.00 C ATOM 1934 CG ASN A 123 -1.079 -7.695 -3.643 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -1.850 -8.643 -3.786 1.00 0.00 O ATOM 1936 ND2 ASN A 123 -0.444 -7.127 -4.661 1.00 0.00 N ATOM 0 H ASN A 123 -2.903 -5.849 -2.685 1.00 0.00 H new ATOM 0 HA ASN A 123 -2.455 -8.203 -1.419 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -0.511 -6.069 -2.372 1.00 0.00 H new ATOM 0 HB3 ASN A 123 0.030 -7.640 -1.813 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -0.587 -7.475 -5.609 1.00 0.00 H new ATOM 0 HD22 ASN A 123 0.186 -6.343 -4.495 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.244 -5.722 0.407 1.00 0.00 N ATOM 1944 CA LEU A 124 -0.818 -5.360 1.754 1.00 0.00 C ATOM 1945 C LEU A 124 -1.833 -5.829 2.791 1.00 0.00 C ATOM 1946 O LEU A 124 -1.466 -6.309 3.863 1.00 0.00 O ATOM 1947 CB LEU A 124 -0.626 -3.846 1.860 1.00 0.00 C ATOM 1948 CG LEU A 124 0.347 -3.366 2.937 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.783 -3.650 2.524 1.00 0.00 C ATOM 1950 CD2 LEU A 124 0.152 -1.882 3.210 1.00 0.00 C ATOM 0 H LEU A 124 -1.241 -4.949 -0.258 1.00 0.00 H new ATOM 0 HA LEU A 124 0.132 -5.855 1.953 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.280 -3.476 0.895 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.598 -3.389 2.047 1.00 0.00 H new ATOM 0 HG LEU A 124 0.140 -3.914 3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.461 -3.301 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.915 -4.722 2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.003 -3.130 1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.853 -1.558 3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.331 -1.317 2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.868 -1.706 3.552 1.00 0.00 H new ATOM 1962 N GLY A 125 -3.114 -5.690 2.463 1.00 0.00 N ATOM 1963 CA GLY A 125 -4.163 -6.106 3.375 1.00 0.00 C ATOM 1964 C GLY A 125 -4.187 -7.607 3.585 1.00 0.00 C ATOM 1965 O GLY A 125 -4.026 -8.087 4.706 1.00 0.00 O ATOM 0 H GLY A 125 -3.444 -5.297 1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.023 -5.610 4.335 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.128 -5.781 2.986 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.390 -8.352 2.502 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.433 -9.799 2.595 1.00 0.00 C ATOM 1971 C GLY A 126 -3.224 -10.371 3.308 1.00 0.00 C ATOM 1972 O GLY A 126 -3.321 -11.392 3.990 1.00 0.00 O ATOM 0 H GLY A 126 -4.525 -7.979 1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.338 -10.099 3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.494 -10.223 1.593 1.00 0.00 H new ATOM 1976 N LEU A 127 -2.081 -9.713 3.150 1.00 0.00 N ATOM 1977 CA LEU A 127 -0.846 -10.162 3.784 1.00 0.00 C ATOM 1978 C LEU A 127 -0.848 -9.836 5.273 1.00 0.00 C ATOM 1979 O LEU A 127 -0.524 -10.684 6.105 1.00 0.00 O ATOM 1980 CB LEU A 127 0.363 -9.511 3.109 1.00 0.00 C ATOM 1981 CG LEU A 127 0.726 -10.044 1.722 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.391 -8.959 0.890 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.633 -11.260 1.839 1.00 0.00 C ATOM 0 H LEU A 127 -1.983 -8.867 2.589 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.780 -11.244 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.175 -8.440 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.228 -9.634 3.761 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.192 -10.347 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.642 -9.357 -0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.708 -8.117 0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.300 -8.624 1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 127 1.881 -11.626 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.548 -10.982 2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.120 -12.044 2.396 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.216 -8.603 5.603 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.265 -8.166 6.993 1.00 0.00 C ATOM 1997 C ALA A 128 -2.102 -9.119 7.839 1.00 0.00 C ATOM 1998 O ALA A 128 -1.704 -9.501 8.939 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.819 -6.752 7.083 1.00 0.00 C ATOM 0 H ALA A 128 -1.485 -7.888 4.927 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.248 -8.171 7.385 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.850 -6.439 8.127 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.178 -6.074 6.519 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.826 -6.729 6.667 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.265 -9.498 7.319 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.159 -10.407 8.027 1.00 0.00 C ATOM 2007 C VAL A 129 -3.509 -11.772 8.227 1.00 0.00 C ATOM 2008 O VAL A 129 -3.926 -12.549 9.085 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.488 -10.590 7.271 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.471 -11.397 8.105 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.078 -9.239 6.896 1.00 0.00 C ATOM 0 H VAL A 129 -3.610 -9.190 6.410 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.362 -9.958 8.999 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.290 -11.142 6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.404 -11.516 7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.048 -12.379 8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.667 -10.876 9.042 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.017 -9.387 6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.262 -8.659 7.800 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.378 -8.701 6.256 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.485 -12.056 7.430 1.00 0.00 N ATOM 2022 CA ALA A 130 -1.775 -13.326 7.521 1.00 0.00 C ATOM 2023 C ALA A 130 -0.553 -13.208 8.426 1.00 0.00 C ATOM 2024 O ALA A 130 0.403 -13.973 8.296 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.364 -13.801 6.135 1.00 0.00 C ATOM 0 H ALA A 130 -2.128 -11.424 6.714 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.450 -14.061 7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -0.835 -14.750 6.218 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.252 -13.933 5.517 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.710 -13.060 5.675 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.591 -12.246 9.342 1.00 0.00 N ATOM 2032 CA ARG A 131 0.514 -12.027 10.267 1.00 0.00 C ATOM 2033 C ARG A 131 0.080 -12.295 11.705 1.00 0.00 C ATOM 2034 O ARG A 131 -1.099 -12.522 11.976 1.00 0.00 O ATOM 2035 CB ARG A 131 1.039 -10.596 10.139 1.00 0.00 C ATOM 2036 CG ARG A 131 1.193 -10.130 8.701 1.00 0.00 C ATOM 2037 CD ARG A 131 2.546 -10.525 8.129 1.00 0.00 C ATOM 2038 NE ARG A 131 3.629 -9.713 8.678 1.00 0.00 N ATOM 2039 CZ ARG A 131 4.892 -9.805 8.276 1.00 0.00 C ATOM 2040 NH1 ARG A 131 5.228 -10.668 7.327 1.00 0.00 N ATOM 2041 NH2 ARG A 131 5.821 -9.033 8.823 1.00 0.00 N ATOM 0 H ARG A 131 -1.376 -11.606 9.463 1.00 0.00 H new ATOM 0 HA ARG A 131 1.313 -12.723 10.011 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.360 -9.921 10.660 1.00 0.00 H new ATOM 0 HB3 ARG A 131 2.005 -10.526 10.640 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.399 -10.561 8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 131 1.079 -9.047 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 131 2.737 -11.577 8.342 1.00 0.00 H new ATOM 0 HD3 ARG A 131 2.526 -10.418 7.044 1.00 0.00 H new ATOM 0 HE ARG A 131 3.403 -9.039 9.410 1.00 0.00 H new ATOM 0 HH11 ARG A 131 4.516 -11.263 6.904 1.00 0.00 H new ATOM 0 HH12 ARG A 131 6.198 -10.737 7.020 1.00 0.00 H new ATOM 0 HH21 ARG A 131 5.566 -8.368 9.553 1.00 0.00 H new ATOM 0 HH22 ARG A 131 6.790 -9.104 8.514 1.00 0.00 H new ATOM 2055 N ASP A 132 1.040 -12.266 12.622 1.00 0.00 N ATOM 2056 CA ASP A 132 0.758 -12.505 14.033 1.00 0.00 C ATOM 2057 C ASP A 132 1.023 -11.251 14.860 1.00 0.00 C ATOM 2058 O ASP A 132 0.926 -11.273 16.087 1.00 0.00 O ATOM 2059 CB ASP A 132 1.607 -13.665 14.556 1.00 0.00 C ATOM 2060 CG ASP A 132 3.010 -13.232 14.931 1.00 0.00 C ATOM 2061 OD1 ASP A 132 3.853 -13.097 14.019 1.00 0.00 O ATOM 2062 OD2 ASP A 132 3.267 -13.029 16.136 1.00 0.00 O ATOM 0 H ASP A 132 2.021 -12.079 12.414 1.00 0.00 H new ATOM 0 HA ASP A 132 -0.296 -12.765 14.128 1.00 0.00 H new ATOM 0 HB2 ASP A 132 1.120 -14.104 15.427 1.00 0.00 H new ATOM 0 HB3 ASP A 132 1.661 -14.444 13.795 1.00 0.00 H new ATOM 2067 N ASP A 133 1.358 -10.160 14.180 1.00 0.00 N ATOM 2068 CA ASP A 133 1.637 -8.896 14.852 1.00 0.00 C ATOM 2069 C ASP A 133 0.414 -8.407 15.620 1.00 0.00 C ATOM 2070 O ASP A 133 0.537 -7.810 16.689 1.00 0.00 O ATOM 2071 CB ASP A 133 2.073 -7.840 13.836 1.00 0.00 C ATOM 2072 CG ASP A 133 3.165 -8.341 12.911 1.00 0.00 C ATOM 2073 OD1 ASP A 133 4.351 -8.265 13.297 1.00 0.00 O ATOM 2074 OD2 ASP A 133 2.834 -8.809 11.802 1.00 0.00 O ATOM 0 H ASP A 133 1.443 -10.125 13.164 1.00 0.00 H new ATOM 0 HA ASP A 133 2.447 -9.061 15.563 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.211 -7.533 13.243 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.427 -6.955 14.365 1.00 0.00 H new ATOM 2079 N GLY A 134 -0.768 -8.664 15.067 1.00 0.00 N ATOM 2080 CA GLY A 134 -1.997 -8.242 15.713 1.00 0.00 C ATOM 2081 C GLY A 134 -2.184 -6.738 15.677 1.00 0.00 C ATOM 2082 O GLY A 134 -2.611 -6.134 16.662 1.00 0.00 O ATOM 0 H GLY A 134 -0.896 -9.157 14.183 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.844 -8.722 15.224 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.994 -8.580 16.749 1.00 0.00 H new ATOM 2086 N LEU A 135 -1.863 -6.131 14.540 1.00 0.00 N ATOM 2087 CA LEU A 135 -1.997 -4.687 14.379 1.00 0.00 C ATOM 2088 C LEU A 135 -2.973 -4.352 13.256 1.00 0.00 C ATOM 2089 O LEU A 135 -3.681 -3.346 13.314 1.00 0.00 O ATOM 2090 CB LEU A 135 -0.633 -4.058 14.090 1.00 0.00 C ATOM 2091 CG LEU A 135 0.505 -4.461 15.029 1.00 0.00 C ATOM 2092 CD1 LEU A 135 1.853 -4.130 14.407 1.00 0.00 C ATOM 2093 CD2 LEU A 135 0.354 -3.771 16.377 1.00 0.00 C ATOM 0 H LEU A 135 -1.508 -6.616 13.716 1.00 0.00 H new ATOM 0 HA LEU A 135 -2.389 -4.277 15.310 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -0.345 -4.316 13.071 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -0.740 -2.974 14.126 1.00 0.00 H new ATOM 0 HG LEU A 135 0.455 -5.538 15.187 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.651 -4.424 15.089 1.00 0.00 H new ATOM 0 HD12 LEU A 135 1.962 -4.671 13.467 1.00 0.00 H new ATOM 0 HD13 LEU A 135 1.913 -3.058 14.218 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.172 -4.069 17.032 1.00 0.00 H new ATOM 0 HD22 LEU A 135 0.377 -2.690 16.237 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -0.596 -4.058 16.829 1.00 0.00 H new ATOM 2105 N PHE A 136 -3.007 -5.202 12.235 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.897 -4.997 11.099 1.00 0.00 C ATOM 2107 C PHE A 136 -5.243 -4.443 11.556 1.00 0.00 C ATOM 2108 O PHE A 136 -5.885 -4.998 12.447 1.00 0.00 O ATOM 2109 CB PHE A 136 -4.104 -6.311 10.342 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.324 -6.313 9.468 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.569 -6.619 9.993 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.227 -6.009 8.119 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.694 -6.622 9.190 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -6.349 -6.011 7.311 1.00 0.00 C ATOM 2115 CZ PHE A 136 -7.584 -6.317 7.848 1.00 0.00 C ATOM 0 H PHE A 136 -2.428 -6.039 12.171 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.432 -4.271 10.432 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.226 -6.509 9.727 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -4.180 -7.127 11.061 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.662 -6.858 11.042 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.264 -5.768 7.694 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.658 -6.863 9.612 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.260 -5.774 6.261 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.462 -6.318 7.219 1.00 0.00 H new ATOM 2125 N SER A 137 -5.664 -3.344 10.938 1.00 0.00 N ATOM 2126 CA SER A 137 -6.931 -2.711 11.283 1.00 0.00 C ATOM 2127 C SER A 137 -7.967 -2.933 10.185 1.00 0.00 C ATOM 2128 O SER A 137 -7.660 -3.486 9.130 1.00 0.00 O ATOM 2129 CB SER A 137 -6.731 -1.212 11.515 1.00 0.00 C ATOM 2130 OG SER A 137 -6.321 -0.952 12.846 1.00 0.00 O ATOM 0 H SER A 137 -5.146 -2.874 10.196 1.00 0.00 H new ATOM 0 HA SER A 137 -7.298 -3.168 12.202 1.00 0.00 H new ATOM 0 HB2 SER A 137 -5.984 -0.830 10.820 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.660 -0.682 11.307 1.00 0.00 H new ATOM 0 HG SER A 137 -6.198 0.013 12.968 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.196 -2.497 10.442 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.259 -2.657 9.467 1.00 0.00 C ATOM 2138 C GLY A 138 -10.796 -4.073 9.423 1.00 0.00 C ATOM 2139 O GLY A 138 -10.162 -5.001 9.924 1.00 0.00 O ATOM 0 H GLY A 138 -9.475 -2.036 11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.072 -1.971 9.704 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -9.887 -2.382 8.480 1.00 0.00 H new ATOM 2143 N ASP A 139 -11.970 -4.241 8.822 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.593 -5.555 8.715 1.00 0.00 C ATOM 2145 C ASP A 139 -11.646 -6.553 8.056 1.00 0.00 C ATOM 2146 O ASP A 139 -11.134 -6.330 6.959 1.00 0.00 O ATOM 2147 CB ASP A 139 -13.893 -5.462 7.915 1.00 0.00 C ATOM 2148 CG ASP A 139 -15.074 -5.055 8.774 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -15.052 -3.931 9.317 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -16.019 -5.861 8.904 1.00 0.00 O ATOM 0 H ASP A 139 -12.509 -3.483 8.402 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.819 -5.906 9.722 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -13.769 -4.740 7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -14.100 -6.426 7.451 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.406 -7.681 8.741 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.519 -8.736 8.242 1.00 0.00 C ATOM 2157 C PRO A 140 -11.110 -9.473 7.044 1.00 0.00 C ATOM 2158 O PRO A 140 -10.382 -10.040 6.231 1.00 0.00 O ATOM 2159 CB PRO A 140 -10.384 -9.682 9.438 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.624 -9.463 10.235 1.00 0.00 C ATOM 2161 CD PRO A 140 -11.982 -8.014 10.054 1.00 0.00 C ATOM 0 HA PRO A 140 -9.569 -8.335 7.889 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.299 -10.719 9.115 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.492 -9.456 10.023 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -12.430 -10.110 9.889 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -11.458 -9.696 11.287 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -13.061 -7.862 10.069 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.561 -7.394 10.846 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.435 -9.458 6.942 1.00 0.00 N ATOM 2170 CA ASN A 141 -13.125 -10.125 5.844 1.00 0.00 C ATOM 2171 C ASN A 141 -12.718 -9.524 4.502 1.00 0.00 C ATOM 2172 O ASN A 141 -12.439 -10.247 3.545 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.640 -10.019 6.025 1.00 0.00 C ATOM 2174 CG ASN A 141 -15.097 -10.526 7.379 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -15.054 -9.656 8.382 1.00 0.00 O flip ATOM 2176 ND2 ASN A 141 -15.485 -11.686 7.522 1.00 0.00 N flip ATOM 0 H ASN A 141 -13.052 -8.991 7.606 1.00 0.00 H new ATOM 0 HA ASN A 141 -12.839 -11.177 5.853 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.945 -8.979 5.907 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -15.138 -10.588 5.240 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -15.501 -12.320 6.723 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -15.790 -12.012 8.439 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.688 -8.198 4.439 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.315 -7.499 3.215 1.00 0.00 C ATOM 2185 C TRP A 142 -11.244 -8.271 2.452 1.00 0.00 C ATOM 2186 O TRP A 142 -11.383 -8.527 1.256 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.812 -6.091 3.539 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.894 -5.169 4.014 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -14.227 -5.254 3.730 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.735 -4.022 4.856 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.906 -4.229 4.344 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -14.013 -3.460 5.041 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.637 -3.416 5.472 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -14.220 -2.322 5.816 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.844 -2.286 6.241 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -13.127 -1.749 6.408 1.00 0.00 C ATOM 0 H TRP A 142 -12.918 -7.585 5.221 1.00 0.00 H new ATOM 0 HA TRP A 142 -13.201 -7.424 2.585 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -11.038 -6.156 4.304 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -11.346 -5.666 2.650 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.681 -6.015 3.113 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.912 -4.067 4.289 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.644 -3.823 5.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -15.208 -1.906 5.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -11.002 -1.809 6.721 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -13.256 -0.866 7.016 1.00 0.00 H new ATOM 2207 N PHE A 143 -10.175 -8.639 3.150 1.00 0.00 N ATOM 2208 CA PHE A 143 -9.080 -9.382 2.538 1.00 0.00 C ATOM 2209 C PHE A 143 -9.098 -10.842 2.980 1.00 0.00 C ATOM 2210 O PHE A 143 -9.534 -11.178 4.082 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.737 -8.744 2.901 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.774 -7.243 2.927 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -8.392 -6.570 3.969 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -7.193 -6.504 1.909 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -8.427 -5.188 3.997 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -7.225 -5.123 1.932 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.844 -4.464 2.976 1.00 0.00 C ATOM 0 H PHE A 143 -10.044 -8.435 4.141 1.00 0.00 H new ATOM 0 HA PHE A 143 -9.211 -9.347 1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.423 -9.109 3.879 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -6.984 -9.069 2.183 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -8.852 -7.132 4.769 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -6.710 -7.013 1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -8.910 -4.676 4.816 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -6.766 -4.559 1.134 1.00 0.00 H new ATOM 0 HZ PHE A 143 -7.872 -3.385 2.994 1.00 0.00 H new ATOM 2227 N PRO A 144 -8.615 -11.732 2.101 1.00 0.00 N ATOM 2228 CA PRO A 144 -8.564 -13.171 2.378 1.00 0.00 C ATOM 2229 C PRO A 144 -7.535 -13.520 3.447 1.00 0.00 C ATOM 2230 O PRO A 144 -6.660 -12.715 3.768 1.00 0.00 O ATOM 2231 CB PRO A 144 -8.164 -13.777 1.031 1.00 0.00 C ATOM 2232 CG PRO A 144 -7.434 -12.686 0.326 1.00 0.00 C ATOM 2233 CD PRO A 144 -8.079 -11.403 0.769 1.00 0.00 C ATOM 0 HA PRO A 144 -9.512 -13.546 2.765 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -7.532 -14.655 1.164 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -9.039 -14.097 0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -6.374 -12.698 0.580 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -7.504 -12.805 -0.755 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -7.358 -10.587 0.816 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -8.868 -11.093 0.084 1.00 0.00 H new