USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1001 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 MET CE :methyl 143:sc= -1.24 (180deg=-1.59) USER MOD Set 1.2: A 118 GLN : amide:sc= -4.51! C(o=-5.7!,f=-7.2!) USER MOD Set 2.1: A 98 ASN :FLIP amide:sc= -0.103 F(o=-4.6!,f=-0.1) USER MOD Set 2.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 49 LYS NZ :NH3+ -149:sc= 0.875 (180deg=0) USER MOD Set 3.2: A 81 GLN : amide:sc= -2.01! C(o=-1.1!,f=-19!) USER MOD Single : A 20 GLN : amide:sc= -0.359 X(o=-0.36,f=0) USER MOD Single : A 24 GLN : amide:sc= 0.141 X(o=0.14,f=0) USER MOD Single : A 27 THR OG1 : rot -17:sc= 0.606 USER MOD Single : A 28 THR OG1 : rot 80:sc= 1.15 USER MOD Single : A 29 GLN : amide:sc= -5.44! C(o=-5.4!,f=-6.3!) USER MOD Single : A 30 CYS SG : rot 15:sc= 0.401 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.162 K(o=-0.16,f=-2.1!) USER MOD Single : A 43 ASN : amide:sc= -6.1! C(o=-6.1!,f=-10!) USER MOD Single : A 45 GLN : amide:sc= -3.36 K(o=-3.4,f=-5.3!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 58:sc= -0.554 USER MOD Single : A 59 ASN : amide:sc= -7.4! C(o=-7.4!,f=-9.7!) USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.55 K(o=-1.5,f=-4.9!) USER MOD Single : A 70 LYS NZ :NH3+ -161:sc= -0.0166 (180deg=-0.674) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot -130:sc= -0.658 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 168:sc=-0.00157 (180deg=-0.0864) USER MOD Single : A 82 MET CE :methyl 175:sc= -8.24! (180deg=-8.29!) USER MOD Single : A 84 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.6!) USER MOD Single : A 86 SER OG : rot -70:sc= 0.949 USER MOD Single : A 87 GLN : amide:sc=-0.000852 X(o=-0.00085,f=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 95 TYR OH : rot 69:sc= -1.26 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) 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 K(o=0,f=-1.5) USER MOD Single : A 116 CYS SG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot -13:sc= -0.878 USER MOD Single : A 122 MET CE :methyl 175:sc= -0.145 (180deg=-0.168) USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= 1.17 K(o=1.2,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 221 N ASP A 17 -15.363 -2.860 -7.174 1.00 0.00 N ATOM 222 CA ASP A 17 -15.776 -3.499 -5.931 1.00 0.00 C ATOM 223 C ASP A 17 -14.644 -3.483 -4.909 1.00 0.00 C ATOM 224 O ASP A 17 -14.883 -3.502 -3.701 1.00 0.00 O ATOM 225 CB ASP A 17 -16.221 -4.939 -6.195 1.00 0.00 C ATOM 226 CG ASP A 17 -15.424 -5.596 -7.305 1.00 0.00 C ATOM 227 OD1 ASP A 17 -15.605 -5.205 -8.477 1.00 0.00 O ATOM 228 OD2 ASP A 17 -14.619 -6.502 -7.001 1.00 0.00 O ATOM 0 HA ASP A 17 -16.616 -2.936 -5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -16.115 -5.523 -5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.279 -4.947 -6.457 1.00 0.00 H new ATOM 233 N LEU A 18 -13.410 -3.450 -5.401 1.00 0.00 N ATOM 234 CA LEU A 18 -12.239 -3.433 -4.531 1.00 0.00 C ATOM 235 C LEU A 18 -11.896 -2.008 -4.109 1.00 0.00 C ATOM 236 O LEU A 18 -11.577 -1.755 -2.948 1.00 0.00 O ATOM 237 CB LEU A 18 -11.043 -4.069 -5.241 1.00 0.00 C ATOM 238 CG LEU A 18 -11.254 -5.488 -5.771 1.00 0.00 C ATOM 239 CD1 LEU A 18 -9.988 -6.001 -6.440 1.00 0.00 C ATOM 240 CD2 LEU A 18 -11.680 -6.420 -4.646 1.00 0.00 C ATOM 0 H LEU A 18 -13.195 -3.434 -6.398 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.472 -4.011 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.760 -3.429 -6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.200 -4.082 -4.550 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.050 -5.463 -6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.157 -7.012 -6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.726 -5.348 -7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.173 -6.011 -5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.826 -7.425 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.907 -6.441 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.613 -6.063 -4.211 1.00 0.00 H new ATOM 252 N GLU A 19 -11.965 -1.081 -5.059 1.00 0.00 N ATOM 253 CA GLU A 19 -11.663 0.318 -4.784 1.00 0.00 C ATOM 254 C GLU A 19 -12.474 0.827 -3.596 1.00 0.00 C ATOM 255 O GLU A 19 -11.914 1.241 -2.582 1.00 0.00 O ATOM 256 CB GLU A 19 -11.950 1.177 -6.018 1.00 0.00 C ATOM 257 CG GLU A 19 -11.578 2.640 -5.841 1.00 0.00 C ATOM 258 CD GLU A 19 -11.378 3.354 -7.163 1.00 0.00 C ATOM 259 OE1 GLU A 19 -12.332 3.390 -7.968 1.00 0.00 O ATOM 260 OE2 GLU A 19 -10.268 3.877 -7.394 1.00 0.00 O ATOM 0 H GLU A 19 -12.227 -1.274 -6.026 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.604 0.392 -4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.401 0.772 -6.868 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.010 1.107 -6.260 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.361 3.144 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.663 2.710 -5.252 1.00 0.00 H new ATOM 267 N GLN A 20 -13.796 0.793 -3.732 1.00 0.00 N ATOM 268 CA GLN A 20 -14.684 1.251 -2.671 1.00 0.00 C ATOM 269 C GLN A 20 -14.238 0.713 -1.316 1.00 0.00 C ATOM 270 O GLN A 20 -14.390 1.379 -0.291 1.00 0.00 O ATOM 271 CB GLN A 20 -16.123 0.816 -2.957 1.00 0.00 C ATOM 272 CG GLN A 20 -16.298 -0.692 -3.030 1.00 0.00 C ATOM 273 CD GLN A 20 -17.747 -1.118 -2.892 1.00 0.00 C ATOM 274 OE1 GLN A 20 -18.318 -1.075 -1.802 1.00 0.00 O ATOM 275 NE2 GLN A 20 -18.350 -1.534 -4.000 1.00 0.00 N ATOM 0 H GLN A 20 -14.275 0.453 -4.566 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.640 2.340 -2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.775 1.212 -2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.447 1.257 -3.900 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.906 -1.054 -3.980 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.709 -1.161 -2.242 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.839 -1.553 -4.882 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.324 -1.834 -3.968 1.00 0.00 H new ATOM 284 N ILE A 21 -13.686 -0.497 -1.318 1.00 0.00 N ATOM 285 CA ILE A 21 -13.217 -1.124 -0.089 1.00 0.00 C ATOM 286 C ILE A 21 -11.866 -0.559 0.335 1.00 0.00 C ATOM 287 O ILE A 21 -11.639 -0.280 1.514 1.00 0.00 O ATOM 288 CB ILE A 21 -13.096 -2.651 -0.247 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.461 -3.263 -0.567 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.515 -3.270 1.016 1.00 0.00 C ATOM 291 CD1 ILE A 21 -14.408 -4.749 -0.841 1.00 0.00 C ATOM 0 H ILE A 21 -13.553 -1.062 -2.157 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.957 -0.904 0.680 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.421 -2.863 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.137 -3.080 0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.883 -2.757 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.436 -4.350 0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.526 -2.853 1.204 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -13.167 -3.051 1.862 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.411 -5.115 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.758 -4.939 -1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -14.016 -5.267 0.035 1.00 0.00 H new ATOM 303 N LEU A 22 -10.971 -0.390 -0.632 1.00 0.00 N ATOM 304 CA LEU A 22 -9.641 0.144 -0.360 1.00 0.00 C ATOM 305 C LEU A 22 -9.729 1.450 0.422 1.00 0.00 C ATOM 306 O LEU A 22 -9.080 1.610 1.457 1.00 0.00 O ATOM 307 CB LEU A 22 -8.884 0.370 -1.670 1.00 0.00 C ATOM 308 CG LEU A 22 -8.227 -0.865 -2.288 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.726 -0.557 -3.690 1.00 0.00 C ATOM 310 CD2 LEU A 22 -7.089 -1.360 -1.408 1.00 0.00 C ATOM 0 H LEU A 22 -11.142 -0.615 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.100 -0.584 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.577 0.791 -2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.111 1.119 -1.495 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.975 -1.655 -2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.262 -1.447 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.564 -0.251 -4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.993 0.249 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.633 -2.239 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.340 -0.575 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.477 -1.621 -0.424 1.00 0.00 H new ATOM 322 N ILE A 23 -10.536 2.380 -0.076 1.00 0.00 N ATOM 323 CA ILE A 23 -10.711 3.671 0.578 1.00 0.00 C ATOM 324 C ILE A 23 -11.209 3.498 2.009 1.00 0.00 C ATOM 325 O ILE A 23 -10.787 4.218 2.914 1.00 0.00 O ATOM 326 CB ILE A 23 -11.701 4.564 -0.194 1.00 0.00 C ATOM 327 CG1 ILE A 23 -11.258 4.713 -1.650 1.00 0.00 C ATOM 328 CG2 ILE A 23 -11.815 5.926 0.473 1.00 0.00 C ATOM 329 CD1 ILE A 23 -12.333 5.273 -2.555 1.00 0.00 C ATOM 0 H ILE A 23 -11.080 2.264 -0.931 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.734 4.154 0.591 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.683 4.091 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.385 5.364 -1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.947 3.739 -2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.518 6.546 -0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.172 5.802 1.496 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.837 6.408 0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.948 5.351 -3.572 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.199 4.611 -2.544 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.628 6.261 -2.202 1.00 0.00 H new ATOM 341 N GLN A 24 -12.107 2.539 2.206 1.00 0.00 N ATOM 342 CA GLN A 24 -12.661 2.271 3.528 1.00 0.00 C ATOM 343 C GLN A 24 -11.599 1.692 4.456 1.00 0.00 C ATOM 344 O GLN A 24 -11.479 2.103 5.611 1.00 0.00 O ATOM 345 CB GLN A 24 -13.844 1.307 3.423 1.00 0.00 C ATOM 346 CG GLN A 24 -15.158 1.992 3.083 1.00 0.00 C ATOM 347 CD GLN A 24 -16.322 1.022 3.020 1.00 0.00 C ATOM 348 OE1 GLN A 24 -17.085 0.887 3.978 1.00 0.00 O ATOM 349 NE2 GLN A 24 -16.466 0.341 1.890 1.00 0.00 N ATOM 0 H GLN A 24 -12.467 1.934 1.467 1.00 0.00 H new ATOM 0 HA GLN A 24 -13.008 3.216 3.947 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.626 0.559 2.661 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.955 0.776 4.369 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.368 2.758 3.830 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -15.061 2.500 2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.811 0.484 1.121 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -17.232 -0.325 1.790 1.00 0.00 H new ATOM 358 N TRP A 25 -10.831 0.736 3.945 1.00 0.00 N ATOM 359 CA TRP A 25 -9.779 0.100 4.730 1.00 0.00 C ATOM 360 C TRP A 25 -8.698 1.107 5.108 1.00 0.00 C ATOM 361 O TRP A 25 -8.329 1.225 6.276 1.00 0.00 O ATOM 362 CB TRP A 25 -9.162 -1.060 3.947 1.00 0.00 C ATOM 363 CG TRP A 25 -7.918 -1.608 4.579 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.753 -1.968 5.886 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.666 -1.856 3.931 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.473 -2.424 6.090 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.786 -2.367 4.906 1.00 0.00 C ATOM 368 CE3 TRP A 25 -6.202 -1.698 2.622 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.472 -2.718 4.611 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.897 -2.047 2.331 1.00 0.00 C ATOM 371 CH2 TRP A 25 -4.044 -2.554 3.322 1.00 0.00 C ATOM 0 H TRP A 25 -10.917 0.385 2.991 1.00 0.00 H new ATOM 0 HA TRP A 25 -10.226 -0.286 5.646 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.897 -1.859 3.856 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -8.930 -0.724 2.936 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.516 -1.904 6.647 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -6.095 -2.752 6.979 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.852 -1.310 1.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.813 -3.106 5.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.528 -1.927 1.323 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -3.030 -2.820 3.063 1.00 0.00 H new ATOM 382 N ILE A 26 -8.195 1.829 4.113 1.00 0.00 N ATOM 383 CA ILE A 26 -7.157 2.827 4.343 1.00 0.00 C ATOM 384 C ILE A 26 -7.588 3.835 5.402 1.00 0.00 C ATOM 385 O ILE A 26 -6.909 4.023 6.411 1.00 0.00 O ATOM 386 CB ILE A 26 -6.802 3.579 3.047 1.00 0.00 C ATOM 387 CG1 ILE A 26 -6.322 2.598 1.976 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.740 4.634 3.321 1.00 0.00 C ATOM 389 CD1 ILE A 26 -6.367 3.163 0.574 1.00 0.00 C ATOM 0 H ILE A 26 -8.489 1.742 3.140 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.276 2.290 4.694 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.697 4.079 2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.300 2.295 2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.937 1.699 2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.499 5.157 2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.117 5.348 4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.842 4.154 3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.013 2.412 -0.132 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.392 3.440 0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.729 4.045 0.517 1.00 0.00 H new ATOM 401 N THR A 27 -8.725 4.483 5.165 1.00 0.00 N ATOM 402 CA THR A 27 -9.249 5.473 6.098 1.00 0.00 C ATOM 403 C THR A 27 -9.312 4.914 7.515 1.00 0.00 C ATOM 404 O THR A 27 -9.156 5.648 8.491 1.00 0.00 O ATOM 405 CB THR A 27 -10.654 5.947 5.683 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.556 4.836 5.648 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.617 6.621 4.319 1.00 0.00 C ATOM 0 H THR A 27 -9.300 4.340 4.335 1.00 0.00 H new ATOM 0 HA THR A 27 -8.565 6.322 6.075 1.00 0.00 H new ATOM 0 HB THR A 27 -11.001 6.672 6.419 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.045 4.000 5.630 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.621 6.947 4.047 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.953 7.484 4.358 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.251 5.915 3.574 1.00 0.00 H new ATOM 415 N THR A 28 -9.540 3.608 7.622 1.00 0.00 N ATOM 416 CA THR A 28 -9.624 2.950 8.919 1.00 0.00 C ATOM 417 C THR A 28 -8.237 2.718 9.509 1.00 0.00 C ATOM 418 O THR A 28 -7.926 3.204 10.596 1.00 0.00 O ATOM 419 CB THR A 28 -10.359 1.600 8.819 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.701 1.806 8.363 1.00 0.00 O ATOM 421 CG2 THR A 28 -10.378 0.893 10.165 1.00 0.00 C ATOM 0 H THR A 28 -9.670 2.985 6.825 1.00 0.00 H new ATOM 0 HA THR A 28 -10.188 3.614 9.574 1.00 0.00 H new ATOM 0 HB THR A 28 -9.825 0.973 8.105 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.702 1.922 7.390 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.902 -0.058 10.069 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.355 0.712 10.495 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.890 1.518 10.897 1.00 0.00 H new ATOM 429 N GLN A 29 -7.408 1.974 8.784 1.00 0.00 N ATOM 430 CA GLN A 29 -6.054 1.678 9.236 1.00 0.00 C ATOM 431 C GLN A 29 -5.390 2.923 9.816 1.00 0.00 C ATOM 432 O GLN A 29 -4.899 2.907 10.945 1.00 0.00 O ATOM 433 CB GLN A 29 -5.216 1.130 8.080 1.00 0.00 C ATOM 434 CG GLN A 29 -3.896 0.518 8.522 1.00 0.00 C ATOM 435 CD GLN A 29 -3.966 -0.076 9.915 1.00 0.00 C ATOM 436 OE1 GLN A 29 -3.880 0.640 10.913 1.00 0.00 O ATOM 437 NE2 GLN A 29 -4.123 -1.393 9.990 1.00 0.00 N ATOM 0 H GLN A 29 -7.650 1.565 7.881 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.116 0.923 10.020 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.796 0.376 7.547 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.015 1.936 7.374 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.605 -0.258 7.814 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.119 1.282 8.495 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.190 -1.948 9.137 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.177 -1.849 10.901 1.00 0.00 H new ATOM 446 N CYS A 30 -5.378 3.998 9.036 1.00 0.00 N ATOM 447 CA CYS A 30 -4.773 5.252 9.472 1.00 0.00 C ATOM 448 C CYS A 30 -5.566 5.869 10.619 1.00 0.00 C ATOM 449 O CYS A 30 -6.783 6.033 10.528 1.00 0.00 O ATOM 450 CB CYS A 30 -4.692 6.236 8.304 1.00 0.00 C ATOM 451 SG CYS A 30 -6.300 6.831 7.728 1.00 0.00 S ATOM 0 H CYS A 30 -5.780 4.027 8.099 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.765 5.037 9.827 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.086 7.091 8.604 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.175 5.756 7.473 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.208 6.558 8.618 1.00 0.00 H new ATOM 457 N ARG A 31 -4.869 6.207 11.699 1.00 0.00 N ATOM 458 CA ARG A 31 -5.509 6.803 12.866 1.00 0.00 C ATOM 459 C ARG A 31 -5.995 8.216 12.556 1.00 0.00 C ATOM 460 O ARG A 31 -7.188 8.508 12.649 1.00 0.00 O ATOM 461 CB ARG A 31 -4.537 6.834 14.047 1.00 0.00 C ATOM 462 CG ARG A 31 -5.223 6.963 15.397 1.00 0.00 C ATOM 463 CD ARG A 31 -4.346 6.432 16.520 1.00 0.00 C ATOM 464 NE ARG A 31 -5.004 6.527 17.820 1.00 0.00 N ATOM 465 CZ ARG A 31 -4.367 6.397 18.978 1.00 0.00 C ATOM 466 NH1 ARG A 31 -3.061 6.170 18.998 1.00 0.00 N ATOM 467 NH2 ARG A 31 -5.036 6.496 20.120 1.00 0.00 N ATOM 0 H ARG A 31 -3.861 6.078 11.790 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.371 6.190 13.130 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.939 5.923 14.038 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.848 7.669 13.918 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.464 8.009 15.586 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.166 6.417 15.381 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.090 5.392 16.319 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.411 6.992 16.545 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.009 6.703 17.840 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.543 6.095 18.123 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.574 6.071 19.889 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.041 6.672 20.109 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.546 6.396 21.009 1.00 0.00 H new ATOM 481 N LYS A 32 -5.064 9.090 12.189 1.00 0.00 N ATOM 482 CA LYS A 32 -5.396 10.472 11.865 1.00 0.00 C ATOM 483 C LYS A 32 -6.135 10.556 10.533 1.00 0.00 C ATOM 484 O LYS A 32 -5.744 9.920 9.554 1.00 0.00 O ATOM 485 CB LYS A 32 -4.126 11.324 11.811 1.00 0.00 C ATOM 486 CG LYS A 32 -3.278 11.075 10.575 1.00 0.00 C ATOM 487 CD LYS A 32 -3.670 11.998 9.434 1.00 0.00 C ATOM 488 CE LYS A 32 -2.945 13.333 9.523 1.00 0.00 C ATOM 489 NZ LYS A 32 -3.581 14.368 8.662 1.00 0.00 N ATOM 0 H LYS A 32 -4.072 8.865 12.109 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.050 10.856 12.648 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.404 12.377 11.845 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.526 11.124 12.699 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.226 11.223 10.819 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.389 10.038 10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.439 11.520 8.482 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.747 12.165 9.454 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.939 13.675 10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.905 13.202 9.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.058 15.263 8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.564 14.053 7.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.566 14.512 8.962 1.00 0.00 H new ATOM 503 N ASP A 33 -7.202 11.346 10.502 1.00 0.00 N ATOM 504 CA ASP A 33 -7.994 11.516 9.289 1.00 0.00 C ATOM 505 C ASP A 33 -7.194 12.249 8.217 1.00 0.00 C ATOM 506 O ASP A 33 -7.048 13.470 8.263 1.00 0.00 O ATOM 507 CB ASP A 33 -9.281 12.283 9.597 1.00 0.00 C ATOM 508 CG ASP A 33 -10.388 11.976 8.609 1.00 0.00 C ATOM 509 OD1 ASP A 33 -10.574 10.787 8.275 1.00 0.00 O ATOM 510 OD2 ASP A 33 -11.070 12.926 8.169 1.00 0.00 O ATOM 0 H ASP A 33 -7.539 11.879 11.303 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.252 10.527 8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.617 12.034 10.604 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.074 13.353 9.586 1.00 0.00 H new ATOM 515 N VAL A 34 -6.678 11.494 7.252 1.00 0.00 N ATOM 516 CA VAL A 34 -5.893 12.072 6.167 1.00 0.00 C ATOM 517 C VAL A 34 -6.757 12.956 5.274 1.00 0.00 C ATOM 518 O VAL A 34 -6.252 13.838 4.581 1.00 0.00 O ATOM 519 CB VAL A 34 -5.235 10.978 5.306 1.00 0.00 C ATOM 520 CG1 VAL A 34 -4.075 10.337 6.052 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.262 9.931 4.900 1.00 0.00 C ATOM 0 H VAL A 34 -6.789 10.481 7.199 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.114 12.678 6.628 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.842 11.440 4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.622 9.566 5.428 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.330 11.097 6.288 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.440 9.888 6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.780 9.165 4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.686 9.472 5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.057 10.405 4.324 1.00 0.00 H new ATOM 531 N GLY A 35 -8.064 12.712 5.296 1.00 0.00 N ATOM 532 CA GLY A 35 -8.978 13.495 4.484 1.00 0.00 C ATOM 533 C GLY A 35 -9.649 12.667 3.406 1.00 0.00 C ATOM 534 O GLY A 35 -9.409 12.873 2.216 1.00 0.00 O ATOM 0 H GLY A 35 -8.506 11.987 5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.740 13.938 5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.434 14.318 4.020 1.00 0.00 H new ATOM 538 N ARG A 36 -10.491 11.727 3.822 1.00 0.00 N ATOM 539 CA ARG A 36 -11.197 10.864 2.883 1.00 0.00 C ATOM 540 C ARG A 36 -11.813 11.681 1.751 1.00 0.00 C ATOM 541 O ARG A 36 -12.719 12.488 1.957 1.00 0.00 O ATOM 542 CB ARG A 36 -12.288 10.071 3.607 1.00 0.00 C ATOM 543 CG ARG A 36 -12.785 8.867 2.825 1.00 0.00 C ATOM 544 CD ARG A 36 -13.829 8.087 3.609 1.00 0.00 C ATOM 545 NE ARG A 36 -14.934 8.937 4.045 1.00 0.00 N ATOM 546 CZ ARG A 36 -15.894 8.530 4.869 1.00 0.00 C ATOM 547 NH1 ARG A 36 -15.883 7.292 5.343 1.00 0.00 N ATOM 548 NH2 ARG A 36 -16.866 9.362 5.219 1.00 0.00 N ATOM 0 H ARG A 36 -10.701 11.544 4.803 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.475 10.168 2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.903 9.735 4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.130 10.732 3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.211 9.197 1.878 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.945 8.215 2.586 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.217 7.277 2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.360 7.627 4.479 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.971 9.895 3.698 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.137 6.650 5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.621 6.981 5.975 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.877 10.315 4.856 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.602 9.049 5.851 1.00 0.00 H new ATOM 562 N PRO A 37 -11.311 11.467 0.526 1.00 0.00 N ATOM 563 CA PRO A 37 -11.797 12.174 -0.663 1.00 0.00 C ATOM 564 C PRO A 37 -13.205 11.742 -1.058 1.00 0.00 C ATOM 565 O PRO A 37 -13.883 11.042 -0.307 1.00 0.00 O ATOM 566 CB PRO A 37 -10.792 11.776 -1.747 1.00 0.00 C ATOM 567 CG PRO A 37 -10.246 10.466 -1.296 1.00 0.00 C ATOM 568 CD PRO A 37 -10.230 10.519 0.207 1.00 0.00 C ATOM 0 HA PRO A 37 -11.865 13.249 -0.499 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.274 11.690 -2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.002 12.521 -1.847 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.865 9.642 -1.651 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.243 10.304 -1.691 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.413 9.538 0.646 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.268 10.864 0.587 1.00 0.00 H new ATOM 576 N GLN A 38 -13.638 12.164 -2.242 1.00 0.00 N ATOM 577 CA GLN A 38 -14.966 11.821 -2.736 1.00 0.00 C ATOM 578 C GLN A 38 -14.996 10.393 -3.269 1.00 0.00 C ATOM 579 O GLN A 38 -13.993 9.859 -3.743 1.00 0.00 O ATOM 580 CB GLN A 38 -15.393 12.797 -3.834 1.00 0.00 C ATOM 581 CG GLN A 38 -14.506 12.750 -5.068 1.00 0.00 C ATOM 582 CD GLN A 38 -14.475 14.068 -5.816 1.00 0.00 C ATOM 583 OE1 GLN A 38 -14.776 15.121 -5.253 1.00 0.00 O ATOM 584 NE2 GLN A 38 -14.111 14.017 -7.091 1.00 0.00 N ATOM 0 H GLN A 38 -13.089 12.744 -2.876 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.666 11.894 -1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.420 12.576 -4.126 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -15.387 13.810 -3.431 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.492 12.481 -4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -14.861 11.966 -5.736 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.870 13.122 -7.517 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.072 14.873 -7.645 1.00 0.00 H new ATOM 593 N PRO A 39 -16.174 9.756 -3.190 1.00 0.00 N ATOM 594 CA PRO A 39 -16.364 8.380 -3.660 1.00 0.00 C ATOM 595 C PRO A 39 -16.295 8.272 -5.180 1.00 0.00 C ATOM 596 O PRO A 39 -17.321 8.282 -5.859 1.00 0.00 O ATOM 597 CB PRO A 39 -17.766 8.025 -3.161 1.00 0.00 C ATOM 598 CG PRO A 39 -18.466 9.334 -3.035 1.00 0.00 C ATOM 599 CD PRO A 39 -17.412 10.330 -2.637 1.00 0.00 C ATOM 0 HA PRO A 39 -15.585 7.712 -3.292 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -18.280 7.367 -3.861 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.726 7.504 -2.204 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.935 9.618 -3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -19.257 9.283 -2.287 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.616 11.318 -3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.354 10.443 -1.554 1.00 0.00 H new ATOM 607 N GLY A 40 -15.079 8.168 -5.707 1.00 0.00 N ATOM 608 CA GLY A 40 -14.900 8.059 -7.143 1.00 0.00 C ATOM 609 C GLY A 40 -13.606 7.361 -7.515 1.00 0.00 C ATOM 610 O GLY A 40 -12.961 6.743 -6.668 1.00 0.00 O ATOM 0 H GLY A 40 -14.215 8.157 -5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.740 7.512 -7.570 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.911 9.056 -7.584 1.00 0.00 H new ATOM 614 N ARG A 41 -13.227 7.459 -8.785 1.00 0.00 N ATOM 615 CA ARG A 41 -12.004 6.830 -9.267 1.00 0.00 C ATOM 616 C ARG A 41 -10.965 7.881 -9.648 1.00 0.00 C ATOM 617 O ARG A 41 -9.762 7.638 -9.563 1.00 0.00 O ATOM 618 CB ARG A 41 -12.305 5.936 -10.471 1.00 0.00 C ATOM 619 CG ARG A 41 -12.763 6.704 -11.700 1.00 0.00 C ATOM 620 CD ARG A 41 -11.585 7.119 -12.568 1.00 0.00 C ATOM 621 NE ARG A 41 -12.006 7.509 -13.912 1.00 0.00 N ATOM 622 CZ ARG A 41 -11.158 7.811 -14.889 1.00 0.00 C ATOM 623 NH1 ARG A 41 -9.851 7.768 -14.673 1.00 0.00 N ATOM 624 NH2 ARG A 41 -11.618 8.157 -16.084 1.00 0.00 N ATOM 0 H ARG A 41 -13.749 7.968 -9.498 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.598 6.218 -8.461 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.411 5.365 -10.722 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.075 5.216 -10.195 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.446 6.086 -12.283 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.319 7.589 -11.391 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.062 7.951 -12.096 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.876 6.294 -12.635 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.006 7.552 -14.111 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.494 7.503 -13.755 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.202 8.000 -15.425 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -12.623 8.191 -16.253 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.966 8.389 -16.834 1.00 0.00 H new ATOM 638 N GLU A 42 -11.440 9.050 -10.068 1.00 0.00 N ATOM 639 CA GLU A 42 -10.552 10.137 -10.463 1.00 0.00 C ATOM 640 C GLU A 42 -9.851 10.736 -9.247 1.00 0.00 C ATOM 641 O GLU A 42 -8.732 11.237 -9.347 1.00 0.00 O ATOM 642 CB GLU A 42 -11.337 11.224 -11.199 1.00 0.00 C ATOM 643 CG GLU A 42 -12.518 11.763 -10.410 1.00 0.00 C ATOM 644 CD GLU A 42 -13.139 12.989 -11.051 1.00 0.00 C ATOM 645 OE1 GLU A 42 -12.680 14.111 -10.752 1.00 0.00 O ATOM 646 OE2 GLU A 42 -14.083 12.826 -11.852 1.00 0.00 O ATOM 0 H GLU A 42 -12.434 9.268 -10.143 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.795 9.729 -11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.664 12.048 -11.437 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.697 10.822 -12.146 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.274 10.984 -10.318 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.192 12.012 -9.400 1.00 0.00 H new ATOM 653 N ASN A 43 -10.519 10.680 -8.099 1.00 0.00 N ATOM 654 CA ASN A 43 -9.961 11.217 -6.863 1.00 0.00 C ATOM 655 C ASN A 43 -8.951 10.249 -6.256 1.00 0.00 C ATOM 656 O ASN A 43 -7.807 10.615 -5.988 1.00 0.00 O ATOM 657 CB ASN A 43 -11.078 11.505 -5.858 1.00 0.00 C ATOM 658 CG ASN A 43 -11.836 10.252 -5.462 1.00 0.00 C ATOM 659 OD1 ASN A 43 -12.685 9.765 -6.209 1.00 0.00 O ATOM 660 ND2 ASN A 43 -11.532 9.725 -4.282 1.00 0.00 N ATOM 0 H ASN A 43 -11.447 10.268 -7.999 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.446 12.148 -7.100 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.652 11.965 -4.967 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.773 12.226 -6.288 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.009 8.882 -3.962 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.821 10.163 -3.696 1.00 0.00 H new ATOM 667 N PHE A 44 -9.383 9.010 -6.041 1.00 0.00 N ATOM 668 CA PHE A 44 -8.517 7.988 -5.464 1.00 0.00 C ATOM 669 C PHE A 44 -7.076 8.170 -5.931 1.00 0.00 C ATOM 670 O PHE A 44 -6.141 8.086 -5.136 1.00 0.00 O ATOM 671 CB PHE A 44 -9.017 6.593 -5.845 1.00 0.00 C ATOM 672 CG PHE A 44 -8.358 5.488 -5.069 1.00 0.00 C ATOM 673 CD1 PHE A 44 -8.564 5.364 -3.705 1.00 0.00 C ATOM 674 CD2 PHE A 44 -7.532 4.575 -5.704 1.00 0.00 C ATOM 675 CE1 PHE A 44 -7.959 4.348 -2.988 1.00 0.00 C ATOM 676 CE2 PHE A 44 -6.925 3.557 -4.993 1.00 0.00 C ATOM 677 CZ PHE A 44 -7.138 3.444 -3.633 1.00 0.00 C ATOM 0 H PHE A 44 -10.327 8.690 -6.258 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.544 8.093 -4.379 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.094 6.546 -5.686 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.845 6.432 -6.909 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.204 6.069 -3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.360 4.660 -6.767 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.128 4.262 -1.925 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.285 2.851 -5.500 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.663 2.650 -3.075 1.00 0.00 H new ATOM 687 N GLN A 45 -6.906 8.417 -7.226 1.00 0.00 N ATOM 688 CA GLN A 45 -5.580 8.609 -7.799 1.00 0.00 C ATOM 689 C GLN A 45 -4.875 9.799 -7.156 1.00 0.00 C ATOM 690 O GLN A 45 -3.722 9.700 -6.741 1.00 0.00 O ATOM 691 CB GLN A 45 -5.679 8.817 -9.311 1.00 0.00 C ATOM 692 CG GLN A 45 -4.344 8.710 -10.030 1.00 0.00 C ATOM 693 CD GLN A 45 -3.642 10.047 -10.160 1.00 0.00 C ATOM 694 OE1 GLN A 45 -3.128 10.589 -9.181 1.00 0.00 O ATOM 695 NE2 GLN A 45 -3.617 10.587 -11.372 1.00 0.00 N ATOM 0 H GLN A 45 -7.670 8.489 -7.898 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.994 7.712 -7.600 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.366 8.079 -9.726 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.110 9.799 -9.507 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.699 8.017 -9.490 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.503 8.290 -11.023 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.056 10.103 -12.155 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.159 11.486 -11.520 1.00 0.00 H new ATOM 704 N ASN A 46 -5.579 10.924 -7.076 1.00 0.00 N ATOM 705 CA ASN A 46 -5.020 12.134 -6.484 1.00 0.00 C ATOM 706 C ASN A 46 -4.843 11.971 -4.977 1.00 0.00 C ATOM 707 O ASN A 46 -3.986 12.612 -4.370 1.00 0.00 O ATOM 708 CB ASN A 46 -5.924 13.334 -6.775 1.00 0.00 C ATOM 709 CG ASN A 46 -5.768 13.844 -8.195 1.00 0.00 C ATOM 710 OD1 ASN A 46 -4.681 14.253 -8.603 1.00 0.00 O ATOM 711 ND2 ASN A 46 -6.857 13.822 -8.954 1.00 0.00 N ATOM 0 H ASN A 46 -6.537 11.023 -7.413 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.041 12.308 -6.931 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.963 13.052 -6.605 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.693 14.138 -6.076 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.814 14.153 -9.918 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.737 13.474 -8.573 1.00 0.00 H new ATOM 718 N TRP A 47 -5.659 11.109 -4.382 1.00 0.00 N ATOM 719 CA TRP A 47 -5.592 10.860 -2.946 1.00 0.00 C ATOM 720 C TRP A 47 -4.223 10.319 -2.550 1.00 0.00 C ATOM 721 O TRP A 47 -3.629 10.765 -1.568 1.00 0.00 O ATOM 722 CB TRP A 47 -6.685 9.875 -2.527 1.00 0.00 C ATOM 723 CG TRP A 47 -6.910 9.832 -1.046 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.851 10.885 -0.177 1.00 0.00 C ATOM 725 CD2 TRP A 47 -7.228 8.678 -0.260 1.00 0.00 C ATOM 726 NE1 TRP A 47 -7.113 10.454 1.101 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.348 9.105 1.077 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.424 7.327 -0.556 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.655 8.227 2.113 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -7.728 6.457 0.474 1.00 0.00 C ATOM 731 CH2 TRP A 47 -7.842 6.910 1.795 1.00 0.00 C ATOM 0 H TRP A 47 -6.374 10.571 -4.871 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.750 11.807 -2.430 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.618 10.147 -3.021 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.418 8.877 -2.876 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.631 11.905 -0.454 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.130 11.044 1.933 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.340 6.969 -1.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.742 8.574 3.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -7.880 5.410 0.257 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -8.082 6.205 2.577 1.00 0.00 H new ATOM 742 N LEU A 48 -3.727 9.356 -3.320 1.00 0.00 N ATOM 743 CA LEU A 48 -2.426 8.754 -3.049 1.00 0.00 C ATOM 744 C LEU A 48 -1.328 9.448 -3.849 1.00 0.00 C ATOM 745 O LEU A 48 -0.143 9.312 -3.544 1.00 0.00 O ATOM 746 CB LEU A 48 -2.453 7.262 -3.386 1.00 0.00 C ATOM 747 CG LEU A 48 -3.760 6.529 -3.081 1.00 0.00 C ATOM 748 CD1 LEU A 48 -3.686 5.086 -3.557 1.00 0.00 C ATOM 749 CD2 LEU A 48 -4.070 6.586 -1.592 1.00 0.00 C ATOM 0 H LEU A 48 -4.206 8.976 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.210 8.877 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.233 7.146 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.648 6.772 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.567 7.027 -3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.625 4.580 -3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.512 5.066 -4.633 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.868 4.576 -3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.004 6.059 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.262 6.114 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.167 7.626 -1.280 1.00 0.00 H new ATOM 761 N LYS A 49 -1.730 10.193 -4.873 1.00 0.00 N ATOM 762 CA LYS A 49 -0.782 10.912 -5.715 1.00 0.00 C ATOM 763 C LYS A 49 0.216 11.694 -4.866 1.00 0.00 C ATOM 764 O LYS A 49 1.362 11.896 -5.267 1.00 0.00 O ATOM 765 CB LYS A 49 -1.524 11.864 -6.656 1.00 0.00 C ATOM 766 CG LYS A 49 -0.612 12.849 -7.367 1.00 0.00 C ATOM 767 CD LYS A 49 -0.465 14.141 -6.579 1.00 0.00 C ATOM 768 CE LYS A 49 0.493 15.104 -7.262 1.00 0.00 C ATOM 769 NZ LYS A 49 0.144 16.525 -6.983 1.00 0.00 N ATOM 0 H LYS A 49 -2.707 10.315 -5.140 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.233 10.180 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.063 11.278 -7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.269 12.418 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.369 12.397 -7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.013 13.069 -8.357 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.441 14.614 -6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.104 13.917 -5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.510 14.906 -6.923 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.477 14.931 -8.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.414 17.115 -7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.880 16.606 -6.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.654 16.848 -6.136 1.00 0.00 H new ATOM 783 N ASP A 50 -0.228 12.131 -3.693 1.00 0.00 N ATOM 784 CA ASP A 50 0.627 12.889 -2.786 1.00 0.00 C ATOM 785 C ASP A 50 1.580 11.963 -2.036 1.00 0.00 C ATOM 786 O ASP A 50 2.745 12.294 -1.825 1.00 0.00 O ATOM 787 CB ASP A 50 -0.223 13.680 -1.792 1.00 0.00 C ATOM 788 CG ASP A 50 0.617 14.540 -0.868 1.00 0.00 C ATOM 789 OD1 ASP A 50 1.836 14.290 -0.770 1.00 0.00 O ATOM 790 OD2 ASP A 50 0.055 15.464 -0.242 1.00 0.00 O ATOM 0 H ASP A 50 -1.175 11.974 -3.347 1.00 0.00 H new ATOM 0 HA ASP A 50 1.219 13.585 -3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.921 14.314 -2.339 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.820 12.988 -1.197 1.00 0.00 H new ATOM 795 N GLY A 51 1.074 10.800 -1.635 1.00 0.00 N ATOM 796 CA GLY A 51 1.893 9.845 -0.912 1.00 0.00 C ATOM 797 C GLY A 51 1.601 9.840 0.575 1.00 0.00 C ATOM 798 O GLY A 51 1.540 8.781 1.201 1.00 0.00 O ATOM 0 H GLY A 51 0.112 10.503 -1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.724 8.847 -1.316 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.945 10.079 -1.072 1.00 0.00 H new ATOM 802 N THR A 52 1.420 11.027 1.146 1.00 0.00 N ATOM 803 CA THR A 52 1.135 11.156 2.569 1.00 0.00 C ATOM 804 C THR A 52 0.130 10.104 3.026 1.00 0.00 C ATOM 805 O THR A 52 0.174 9.644 4.167 1.00 0.00 O ATOM 806 CB THR A 52 0.587 12.555 2.908 1.00 0.00 C ATOM 807 OG1 THR A 52 -0.389 12.948 1.937 1.00 0.00 O ATOM 808 CG2 THR A 52 1.710 13.580 2.950 1.00 0.00 C ATOM 0 H THR A 52 1.466 11.913 0.644 1.00 0.00 H new ATOM 0 HA THR A 52 2.078 11.006 3.095 1.00 0.00 H new ATOM 0 HB THR A 52 0.121 12.510 3.892 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.733 13.838 2.161 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.299 14.560 3.191 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.436 13.294 3.711 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.201 13.622 1.978 1.00 0.00 H new ATOM 816 N VAL A 53 -0.775 9.728 2.128 1.00 0.00 N ATOM 817 CA VAL A 53 -1.791 8.729 2.439 1.00 0.00 C ATOM 818 C VAL A 53 -1.196 7.325 2.446 1.00 0.00 C ATOM 819 O VAL A 53 -1.426 6.546 3.373 1.00 0.00 O ATOM 820 CB VAL A 53 -2.953 8.777 1.430 1.00 0.00 C ATOM 821 CG1 VAL A 53 -4.016 7.751 1.790 1.00 0.00 C ATOM 822 CG2 VAL A 53 -3.548 10.176 1.370 1.00 0.00 C ATOM 0 H VAL A 53 -0.825 10.100 1.180 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.173 8.964 3.432 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.564 8.530 0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.829 7.800 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.578 6.753 1.777 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.404 7.964 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.368 10.192 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.923 10.455 2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.780 10.885 1.060 1.00 0.00 H new ATOM 832 N LEU A 54 -0.431 7.007 1.408 1.00 0.00 N ATOM 833 CA LEU A 54 0.198 5.696 1.294 1.00 0.00 C ATOM 834 C LEU A 54 1.066 5.401 2.513 1.00 0.00 C ATOM 835 O LEU A 54 1.149 4.259 2.966 1.00 0.00 O ATOM 836 CB LEU A 54 1.044 5.623 0.021 1.00 0.00 C ATOM 837 CG LEU A 54 0.272 5.476 -1.290 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.113 5.957 -2.462 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.157 4.031 -1.497 1.00 0.00 C ATOM 0 H LEU A 54 -0.231 7.639 0.633 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.590 4.945 1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.653 6.525 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.730 4.781 0.112 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.623 6.096 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.547 5.845 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.370 7.007 -2.319 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.026 5.365 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.705 3.945 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.725 3.391 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.798 3.720 -0.672 1.00 0.00 H new ATOM 851 N CYS A 55 1.709 6.437 3.039 1.00 0.00 N ATOM 852 CA CYS A 55 2.571 6.289 4.207 1.00 0.00 C ATOM 853 C CYS A 55 1.757 5.900 5.437 1.00 0.00 C ATOM 854 O CYS A 55 2.032 4.888 6.080 1.00 0.00 O ATOM 855 CB CYS A 55 3.331 7.589 4.474 1.00 0.00 C ATOM 856 SG CYS A 55 4.066 8.330 2.998 1.00 0.00 S ATOM 0 H CYS A 55 1.650 7.388 2.676 1.00 0.00 H new ATOM 0 HA CYS A 55 3.287 5.494 4.001 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.650 8.309 4.928 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.120 7.394 5.201 1.00 0.00 H new ATOM 0 HG CYS A 55 3.136 8.564 2.121 1.00 0.00 H new ATOM 862 N GLU A 56 0.755 6.713 5.759 1.00 0.00 N ATOM 863 CA GLU A 56 -0.097 6.454 6.913 1.00 0.00 C ATOM 864 C GLU A 56 -0.493 4.982 6.978 1.00 0.00 C ATOM 865 O GLU A 56 -0.695 4.429 8.060 1.00 0.00 O ATOM 866 CB GLU A 56 -1.351 7.329 6.856 1.00 0.00 C ATOM 867 CG GLU A 56 -1.084 8.795 7.150 1.00 0.00 C ATOM 868 CD GLU A 56 -0.971 9.082 8.635 1.00 0.00 C ATOM 869 OE1 GLU A 56 -0.750 8.126 9.407 1.00 0.00 O ATOM 870 OE2 GLU A 56 -1.104 10.261 9.024 1.00 0.00 O ATOM 0 H GLU A 56 0.514 7.556 5.237 1.00 0.00 H new ATOM 0 HA GLU A 56 0.468 6.700 7.812 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.800 7.242 5.867 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.081 6.951 7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.162 9.099 6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.887 9.398 6.727 1.00 0.00 H new ATOM 877 N LEU A 57 -0.603 4.353 5.813 1.00 0.00 N ATOM 878 CA LEU A 57 -0.975 2.944 5.736 1.00 0.00 C ATOM 879 C LEU A 57 0.158 2.054 6.236 1.00 0.00 C ATOM 880 O LEU A 57 0.095 1.515 7.342 1.00 0.00 O ATOM 881 CB LEU A 57 -1.337 2.570 4.298 1.00 0.00 C ATOM 882 CG LEU A 57 -1.767 1.121 4.070 1.00 0.00 C ATOM 883 CD1 LEU A 57 -3.022 0.805 4.868 1.00 0.00 C ATOM 884 CD2 LEU A 57 -1.996 0.860 2.588 1.00 0.00 C ATOM 0 H LEU A 57 -0.440 4.796 4.909 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.844 2.787 6.375 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.143 3.224 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.476 2.777 3.662 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.967 0.466 4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.313 -0.231 4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.825 0.952 5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.829 1.467 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.302 -0.176 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.778 1.523 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.073 1.046 2.039 1.00 0.00 H new ATOM 896 N ILE A 58 1.193 1.905 5.416 1.00 0.00 N ATOM 897 CA ILE A 58 2.341 1.083 5.777 1.00 0.00 C ATOM 898 C ILE A 58 2.838 1.417 7.179 1.00 0.00 C ATOM 899 O ILE A 58 3.353 0.554 7.888 1.00 0.00 O ATOM 900 CB ILE A 58 3.498 1.263 4.777 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.610 0.251 5.064 1.00 0.00 C ATOM 902 CG2 ILE A 58 4.038 2.684 4.842 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.359 -1.111 4.458 1.00 0.00 C ATOM 0 H ILE A 58 1.260 2.343 4.497 1.00 0.00 H new ATOM 0 HA ILE A 58 2.007 0.046 5.751 1.00 0.00 H new ATOM 0 HB ILE A 58 3.120 1.085 3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.553 0.642 4.682 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.723 0.144 6.143 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.855 2.796 4.129 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.243 3.387 4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.404 2.889 5.848 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.187 -1.776 4.702 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.433 -1.523 4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.275 -1.018 3.375 1.00 0.00 H new ATOM 915 N ASN A 59 2.679 2.677 7.573 1.00 0.00 N ATOM 916 CA ASN A 59 3.110 3.126 8.891 1.00 0.00 C ATOM 917 C ASN A 59 2.246 2.508 9.986 1.00 0.00 C ATOM 918 O ASN A 59 2.757 2.022 10.994 1.00 0.00 O ATOM 919 CB ASN A 59 3.050 4.652 8.978 1.00 0.00 C ATOM 920 CG ASN A 59 4.343 5.308 8.534 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.419 4.990 9.040 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.242 6.229 7.582 1.00 0.00 N ATOM 0 H ASN A 59 2.255 3.405 6.998 1.00 0.00 H new ATOM 0 HA ASN A 59 4.140 2.801 9.039 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.230 5.016 8.359 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.830 4.946 10.004 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.078 6.704 7.242 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.329 6.461 7.191 1.00 0.00 H new ATOM 929 N ALA A 60 0.933 2.531 9.779 1.00 0.00 N ATOM 930 CA ALA A 60 -0.002 1.972 10.747 1.00 0.00 C ATOM 931 C ALA A 60 0.370 0.536 11.104 1.00 0.00 C ATOM 932 O ALA A 60 0.409 0.168 12.278 1.00 0.00 O ATOM 933 CB ALA A 60 -1.422 2.031 10.204 1.00 0.00 C ATOM 0 H ALA A 60 0.493 2.931 8.950 1.00 0.00 H new ATOM 0 HA ALA A 60 0.053 2.571 11.656 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.110 1.610 10.937 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.693 3.068 10.006 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.482 1.457 9.279 1.00 0.00 H new ATOM 939 N LEU A 61 0.641 -0.270 10.084 1.00 0.00 N ATOM 940 CA LEU A 61 1.010 -1.667 10.290 1.00 0.00 C ATOM 941 C LEU A 61 2.228 -1.780 11.202 1.00 0.00 C ATOM 942 O LEU A 61 2.134 -2.288 12.319 1.00 0.00 O ATOM 943 CB LEU A 61 1.299 -2.342 8.948 1.00 0.00 C ATOM 944 CG LEU A 61 0.198 -2.235 7.892 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.781 -2.393 6.496 1.00 0.00 C ATOM 946 CD2 LEU A 61 -0.883 -3.275 8.142 1.00 0.00 C ATOM 0 H LEU A 61 0.612 0.019 9.106 1.00 0.00 H new ATOM 0 HA LEU A 61 0.172 -2.171 10.770 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.212 -1.912 8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.498 -3.398 9.131 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.254 -1.246 7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.017 -2.314 5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.518 -1.610 6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.260 -3.368 6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.658 -3.184 7.381 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.446 -4.272 8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.321 -3.115 9.127 1.00 0.00 H new ATOM 958 N TYR A 62 3.368 -1.300 10.718 1.00 0.00 N ATOM 959 CA TYR A 62 4.605 -1.348 11.489 1.00 0.00 C ATOM 960 C TYR A 62 4.471 -0.549 12.782 1.00 0.00 C ATOM 961 O TYR A 62 3.859 0.518 12.823 1.00 0.00 O ATOM 962 CB TYR A 62 5.769 -0.805 10.659 1.00 0.00 C ATOM 963 CG TYR A 62 6.324 -1.803 9.669 1.00 0.00 C ATOM 964 CD1 TYR A 62 6.899 -2.993 10.100 1.00 0.00 C ATOM 965 CD2 TYR A 62 6.274 -1.557 8.302 1.00 0.00 C ATOM 966 CE1 TYR A 62 7.408 -3.908 9.198 1.00 0.00 C ATOM 967 CE2 TYR A 62 6.779 -2.467 7.394 1.00 0.00 C ATOM 968 CZ TYR A 62 7.345 -3.641 7.847 1.00 0.00 C ATOM 969 OH TYR A 62 7.851 -4.549 6.945 1.00 0.00 O ATOM 0 H TYR A 62 3.461 -0.874 9.796 1.00 0.00 H new ATOM 0 HA TYR A 62 4.805 -2.389 11.745 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.437 0.082 10.120 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.567 -0.490 11.331 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.949 -3.206 11.158 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.833 -0.639 7.944 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.853 -4.827 9.550 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.731 -2.261 6.335 1.00 0.00 H new ATOM 0 HH TYR A 62 7.771 -5.454 7.312 1.00 0.00 H new ATOM 979 N PRO A 63 5.060 -1.077 13.866 1.00 0.00 N ATOM 980 CA PRO A 63 5.022 -0.430 15.181 1.00 0.00 C ATOM 981 C PRO A 63 5.861 0.842 15.225 1.00 0.00 C ATOM 982 O PRO A 63 6.487 1.218 14.235 1.00 0.00 O ATOM 983 CB PRO A 63 5.611 -1.491 16.115 1.00 0.00 C ATOM 984 CG PRO A 63 6.475 -2.330 15.238 1.00 0.00 C ATOM 985 CD PRO A 63 5.807 -2.346 13.891 1.00 0.00 C ATOM 0 HA PRO A 63 4.014 -0.116 15.452 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.188 -1.034 16.919 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.827 -2.085 16.583 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.481 -1.916 15.170 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.573 -3.340 15.637 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.535 -2.400 13.082 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.145 -3.205 13.781 1.00 0.00 H new ATOM 993 N GLU A 64 5.868 1.501 16.380 1.00 0.00 N ATOM 994 CA GLU A 64 6.630 2.732 16.552 1.00 0.00 C ATOM 995 C GLU A 64 8.119 2.488 16.320 1.00 0.00 C ATOM 996 O GLU A 64 8.695 1.544 16.860 1.00 0.00 O ATOM 997 CB GLU A 64 6.409 3.305 17.953 1.00 0.00 C ATOM 998 CG GLU A 64 4.979 3.751 18.209 1.00 0.00 C ATOM 999 CD GLU A 64 4.817 4.455 19.542 1.00 0.00 C ATOM 1000 OE1 GLU A 64 5.070 5.677 19.601 1.00 0.00 O ATOM 1001 OE2 GLU A 64 4.439 3.785 20.526 1.00 0.00 O ATOM 0 H GLU A 64 5.355 1.203 17.210 1.00 0.00 H new ATOM 0 HA GLU A 64 6.278 3.452 15.813 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.684 2.552 18.692 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.077 4.154 18.099 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.662 4.420 17.409 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.321 2.883 18.179 1.00 0.00 H new ATOM 1008 N GLY A 65 8.735 3.345 15.512 1.00 0.00 N ATOM 1009 CA GLY A 65 10.150 3.205 15.222 1.00 0.00 C ATOM 1010 C GLY A 65 10.409 2.342 14.003 1.00 0.00 C ATOM 1011 O GLY A 65 11.174 2.724 13.117 1.00 0.00 O ATOM 0 H GLY A 65 8.279 4.134 15.053 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.585 4.192 15.064 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.653 2.770 16.085 1.00 0.00 H new ATOM 1015 N GLN A 66 9.773 1.176 13.959 1.00 0.00 N ATOM 1016 CA GLN A 66 9.941 0.257 12.840 1.00 0.00 C ATOM 1017 C GLN A 66 9.414 0.870 11.547 1.00 0.00 C ATOM 1018 O GLN A 66 9.940 0.608 10.466 1.00 0.00 O ATOM 1019 CB GLN A 66 9.220 -1.062 13.124 1.00 0.00 C ATOM 1020 CG GLN A 66 10.056 -2.055 13.915 1.00 0.00 C ATOM 1021 CD GLN A 66 10.075 -1.749 15.400 1.00 0.00 C ATOM 1022 OE1 GLN A 66 10.436 -0.647 15.814 1.00 0.00 O ATOM 1023 NE2 GLN A 66 9.686 -2.727 16.211 1.00 0.00 N ATOM 0 H GLN A 66 9.137 0.846 14.685 1.00 0.00 H new ATOM 0 HA GLN A 66 11.007 0.062 12.720 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.302 -0.854 13.674 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.928 -1.518 12.178 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.663 -3.060 13.760 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.077 -2.050 13.534 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.395 -3.625 15.824 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.679 -2.580 17.220 1.00 0.00 H new ATOM 1032 N ALA A 67 8.374 1.687 11.667 1.00 0.00 N ATOM 1033 CA ALA A 67 7.777 2.339 10.508 1.00 0.00 C ATOM 1034 C ALA A 67 8.848 2.806 9.528 1.00 0.00 C ATOM 1035 O ALA A 67 9.790 3.512 9.891 1.00 0.00 O ATOM 1036 CB ALA A 67 6.914 3.512 10.948 1.00 0.00 C ATOM 0 H ALA A 67 7.927 1.914 12.555 1.00 0.00 H new ATOM 0 HA ALA A 67 7.147 1.611 9.997 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.475 3.989 10.072 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.120 3.154 11.603 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.529 4.235 11.485 1.00 0.00 H new ATOM 1042 N PRO A 68 8.705 2.404 8.257 1.00 0.00 N ATOM 1043 CA PRO A 68 9.652 2.770 7.199 1.00 0.00 C ATOM 1044 C PRO A 68 9.578 4.250 6.842 1.00 0.00 C ATOM 1045 O PRO A 68 10.579 4.858 6.460 1.00 0.00 O ATOM 1046 CB PRO A 68 9.208 1.910 6.013 1.00 0.00 C ATOM 1047 CG PRO A 68 7.764 1.640 6.260 1.00 0.00 C ATOM 1048 CD PRO A 68 7.608 1.561 7.754 1.00 0.00 C ATOM 0 HA PRO A 68 10.686 2.602 7.501 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.357 2.432 5.068 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.780 0.984 5.959 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.142 2.432 5.844 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.454 0.709 5.785 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.635 1.933 8.077 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.692 0.535 8.113 1.00 0.00 H new ATOM 1056 N VAL A 69 8.387 4.826 6.968 1.00 0.00 N ATOM 1057 CA VAL A 69 8.183 6.236 6.660 1.00 0.00 C ATOM 1058 C VAL A 69 7.732 7.009 7.894 1.00 0.00 C ATOM 1059 O VAL A 69 6.550 7.017 8.238 1.00 0.00 O ATOM 1060 CB VAL A 69 7.139 6.421 5.542 1.00 0.00 C ATOM 1061 CG1 VAL A 69 6.824 7.896 5.344 1.00 0.00 C ATOM 1062 CG2 VAL A 69 7.630 5.794 4.246 1.00 0.00 C ATOM 0 H VAL A 69 7.548 4.337 7.281 1.00 0.00 H new ATOM 0 HA VAL A 69 9.142 6.627 6.320 1.00 0.00 H new ATOM 0 HB VAL A 69 6.221 5.915 5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.085 8.007 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.427 8.311 6.270 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.734 8.429 5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.880 5.934 3.467 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.562 6.270 3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.800 4.728 4.399 1.00 0.00 H new ATOM 1072 N LYS A 70 8.682 7.659 8.558 1.00 0.00 N ATOM 1073 CA LYS A 70 8.384 8.438 9.754 1.00 0.00 C ATOM 1074 C LYS A 70 7.955 9.855 9.388 1.00 0.00 C ATOM 1075 O LYS A 70 6.992 10.386 9.941 1.00 0.00 O ATOM 1076 CB LYS A 70 9.606 8.485 10.674 1.00 0.00 C ATOM 1077 CG LYS A 70 9.736 7.269 11.576 1.00 0.00 C ATOM 1078 CD LYS A 70 10.418 7.618 12.888 1.00 0.00 C ATOM 1079 CE LYS A 70 10.272 6.499 13.907 1.00 0.00 C ATOM 1080 NZ LYS A 70 8.928 6.504 14.548 1.00 0.00 N ATOM 0 H LYS A 70 9.666 7.662 8.288 1.00 0.00 H new ATOM 0 HA LYS A 70 7.561 7.952 10.278 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.506 8.573 10.065 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.551 9.381 11.292 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.747 6.857 11.777 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.306 6.494 11.064 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.475 7.813 12.709 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.988 8.536 13.290 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.438 5.539 13.418 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.040 6.603 14.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.965 5.963 15.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.644 7.484 14.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.235 6.069 13.906 1.00 0.00 H new ATOM 1094 N LYS A 71 8.676 10.463 8.452 1.00 0.00 N ATOM 1095 CA LYS A 71 8.369 11.818 8.009 1.00 0.00 C ATOM 1096 C LYS A 71 7.173 11.823 7.062 1.00 0.00 C ATOM 1097 O LYS A 71 7.247 11.298 5.951 1.00 0.00 O ATOM 1098 CB LYS A 71 9.585 12.438 7.316 1.00 0.00 C ATOM 1099 CG LYS A 71 10.712 12.795 8.269 1.00 0.00 C ATOM 1100 CD LYS A 71 11.772 13.642 7.586 1.00 0.00 C ATOM 1101 CE LYS A 71 12.775 12.780 6.835 1.00 0.00 C ATOM 1102 NZ LYS A 71 13.816 12.222 7.742 1.00 0.00 N ATOM 0 H LYS A 71 9.477 10.039 7.985 1.00 0.00 H new ATOM 0 HA LYS A 71 8.117 12.412 8.887 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.961 11.740 6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.271 13.337 6.785 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.308 13.336 9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.167 11.882 8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.295 14.335 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.293 14.244 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.251 11.964 6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.253 13.374 6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.480 11.641 7.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.333 13.001 8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.363 11.634 8.471 1.00 0.00 H new ATOM 1116 N ILE A 72 6.074 12.421 7.509 1.00 0.00 N ATOM 1117 CA ILE A 72 4.864 12.497 6.699 1.00 0.00 C ATOM 1118 C ILE A 72 4.312 13.918 6.667 1.00 0.00 C ATOM 1119 O ILE A 72 3.587 14.333 7.570 1.00 0.00 O ATOM 1120 CB ILE A 72 3.773 11.546 7.228 1.00 0.00 C ATOM 1121 CG1 ILE A 72 4.397 10.233 7.703 1.00 0.00 C ATOM 1122 CG2 ILE A 72 2.731 11.285 6.151 1.00 0.00 C ATOM 1123 CD1 ILE A 72 3.412 9.307 8.382 1.00 0.00 C ATOM 0 H ILE A 72 5.996 12.860 8.427 1.00 0.00 H new ATOM 0 HA ILE A 72 5.140 12.195 5.689 1.00 0.00 H new ATOM 0 HB ILE A 72 3.279 12.019 8.077 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.837 9.719 6.848 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.210 10.455 8.394 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.967 10.612 6.539 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.269 12.227 5.856 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.210 10.829 5.284 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.924 8.396 8.693 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.990 9.802 9.257 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.611 9.054 7.687 1.00 0.00 H new ATOM 1135 N GLN A 73 4.659 14.658 5.619 1.00 0.00 N ATOM 1136 CA GLN A 73 4.198 16.033 5.468 1.00 0.00 C ATOM 1137 C GLN A 73 3.854 16.335 4.014 1.00 0.00 C ATOM 1138 O GLN A 73 4.736 16.392 3.157 1.00 0.00 O ATOM 1139 CB GLN A 73 5.265 17.009 5.967 1.00 0.00 C ATOM 1140 CG GLN A 73 4.701 18.345 6.423 1.00 0.00 C ATOM 1141 CD GLN A 73 4.145 18.293 7.832 1.00 0.00 C ATOM 1142 OE1 GLN A 73 2.955 18.053 8.034 1.00 0.00 O ATOM 1143 NE2 GLN A 73 5.007 18.519 8.817 1.00 0.00 N ATOM 0 H GLN A 73 5.258 14.328 4.862 1.00 0.00 H new ATOM 0 HA GLN A 73 3.296 16.155 6.068 1.00 0.00 H new ATOM 0 HB2 GLN A 73 5.806 16.551 6.795 1.00 0.00 H new ATOM 0 HB3 GLN A 73 5.988 17.182 5.170 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.484 19.102 6.373 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.913 18.656 5.737 1.00 0.00 H new ATOM 0 HE21 GLN A 73 5.985 18.714 8.604 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.691 18.497 9.786 1.00 0.00 H new ATOM 1152 N ALA A 74 2.568 16.528 3.742 1.00 0.00 N ATOM 1153 CA ALA A 74 2.108 16.827 2.391 1.00 0.00 C ATOM 1154 C ALA A 74 2.974 17.901 1.742 1.00 0.00 C ATOM 1155 O ALA A 74 2.948 19.062 2.149 1.00 0.00 O ATOM 1156 CB ALA A 74 0.651 17.262 2.414 1.00 0.00 C ATOM 0 H ALA A 74 1.825 16.483 4.440 1.00 0.00 H new ATOM 0 HA ALA A 74 2.194 15.919 1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.321 17.482 1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.039 16.461 2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.548 18.155 3.031 1.00 0.00 H new ATOM 1162 N SER A 75 3.740 17.506 0.730 1.00 0.00 N ATOM 1163 CA SER A 75 4.617 18.435 0.027 1.00 0.00 C ATOM 1164 C SER A 75 3.860 19.167 -1.077 1.00 0.00 C ATOM 1165 O SER A 75 3.442 18.563 -2.066 1.00 0.00 O ATOM 1166 CB SER A 75 5.814 17.689 -0.567 1.00 0.00 C ATOM 1167 OG SER A 75 5.389 16.645 -1.425 1.00 0.00 O ATOM 0 H SER A 75 3.771 16.549 0.379 1.00 0.00 H new ATOM 0 HA SER A 75 4.977 19.171 0.746 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.443 18.386 -1.121 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.425 17.278 0.236 1.00 0.00 H new ATOM 0 HG SER A 75 5.852 15.815 -1.185 1.00 0.00 H new ATOM 1173 N THR A 76 3.687 20.473 -0.901 1.00 0.00 N ATOM 1174 CA THR A 76 2.980 21.289 -1.880 1.00 0.00 C ATOM 1175 C THR A 76 3.653 21.215 -3.246 1.00 0.00 C ATOM 1176 O THR A 76 3.096 21.663 -4.248 1.00 0.00 O ATOM 1177 CB THR A 76 2.906 22.762 -1.436 1.00 0.00 C ATOM 1178 OG1 THR A 76 4.226 23.294 -1.280 1.00 0.00 O ATOM 1179 CG2 THR A 76 2.142 22.894 -0.127 1.00 0.00 C ATOM 0 H THR A 76 4.027 20.988 -0.089 1.00 0.00 H new ATOM 0 HA THR A 76 1.969 20.889 -1.954 1.00 0.00 H new ATOM 0 HB THR A 76 2.377 23.325 -2.206 1.00 0.00 H new ATOM 0 HG1 THR A 76 4.170 24.231 -0.999 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.103 23.943 0.167 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.128 22.515 -0.258 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.647 22.318 0.649 1.00 0.00 H new ATOM 1187 N MET A 77 4.854 20.647 -3.279 1.00 0.00 N ATOM 1188 CA MET A 77 5.602 20.513 -4.523 1.00 0.00 C ATOM 1189 C MET A 77 5.143 19.285 -5.304 1.00 0.00 C ATOM 1190 O MET A 77 4.256 18.555 -4.864 1.00 0.00 O ATOM 1191 CB MET A 77 7.101 20.417 -4.235 1.00 0.00 C ATOM 1192 CG MET A 77 7.771 21.768 -4.046 1.00 0.00 C ATOM 1193 SD MET A 77 9.560 21.635 -3.859 1.00 0.00 S ATOM 1194 CE MET A 77 10.120 22.626 -5.242 1.00 0.00 C ATOM 0 H MET A 77 5.330 20.272 -2.458 1.00 0.00 H new ATOM 0 HA MET A 77 5.412 21.399 -5.128 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.253 19.817 -3.338 1.00 0.00 H new ATOM 0 HB3 MET A 77 7.588 19.891 -5.056 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.545 22.404 -4.902 1.00 0.00 H new ATOM 0 HG3 MET A 77 7.353 22.257 -3.166 1.00 0.00 H new ATOM 0 HE1 MET A 77 11.210 22.641 -5.262 1.00 0.00 H new ATOM 0 HE2 MET A 77 9.746 22.197 -6.172 1.00 0.00 H new ATOM 0 HE3 MET A 77 9.745 23.644 -5.135 1.00 0.00 H new ATOM 1204 N ALA A 78 5.752 19.066 -6.465 1.00 0.00 N ATOM 1205 CA ALA A 78 5.407 17.926 -7.305 1.00 0.00 C ATOM 1206 C ALA A 78 6.516 16.880 -7.294 1.00 0.00 C ATOM 1207 O ALA A 78 6.257 15.685 -7.443 1.00 0.00 O ATOM 1208 CB ALA A 78 5.126 18.386 -8.728 1.00 0.00 C ATOM 0 H ALA A 78 6.487 19.663 -6.845 1.00 0.00 H new ATOM 0 HA ALA A 78 4.506 17.466 -6.899 1.00 0.00 H new ATOM 0 HB1 ALA A 78 4.870 17.525 -9.345 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.294 19.091 -8.725 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.012 18.873 -9.135 1.00 0.00 H new ATOM 1214 N PHE A 79 7.751 17.336 -7.118 1.00 0.00 N ATOM 1215 CA PHE A 79 8.900 16.439 -7.089 1.00 0.00 C ATOM 1216 C PHE A 79 9.006 15.733 -5.741 1.00 0.00 C ATOM 1217 O PHE A 79 9.527 14.621 -5.647 1.00 0.00 O ATOM 1218 CB PHE A 79 10.188 17.215 -7.373 1.00 0.00 C ATOM 1219 CG PHE A 79 11.416 16.572 -6.795 1.00 0.00 C ATOM 1220 CD1 PHE A 79 11.805 16.838 -5.492 1.00 0.00 C ATOM 1221 CD2 PHE A 79 12.181 15.701 -7.554 1.00 0.00 C ATOM 1222 CE1 PHE A 79 12.935 16.248 -4.958 1.00 0.00 C ATOM 1223 CE2 PHE A 79 13.311 15.107 -7.025 1.00 0.00 C ATOM 1224 CZ PHE A 79 13.688 15.381 -5.725 1.00 0.00 C ATOM 0 H PHE A 79 7.982 18.322 -6.993 1.00 0.00 H new ATOM 0 HA PHE A 79 8.759 15.685 -7.864 1.00 0.00 H new ATOM 0 HB2 PHE A 79 10.313 17.314 -8.451 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.092 18.223 -6.970 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.219 17.514 -4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 79 11.891 15.484 -8.571 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.229 16.465 -3.942 1.00 0.00 H new ATOM 0 HE2 PHE A 79 13.898 14.430 -7.627 1.00 0.00 H new ATOM 0 HZ PHE A 79 14.570 14.918 -5.309 1.00 0.00 H new ATOM 1234 N LYS A 80 8.507 16.387 -4.697 1.00 0.00 N ATOM 1235 CA LYS A 80 8.543 15.824 -3.352 1.00 0.00 C ATOM 1236 C LYS A 80 7.450 14.775 -3.172 1.00 0.00 C ATOM 1237 O LYS A 80 7.694 13.701 -2.623 1.00 0.00 O ATOM 1238 CB LYS A 80 8.380 16.932 -2.309 1.00 0.00 C ATOM 1239 CG LYS A 80 9.578 17.860 -2.215 1.00 0.00 C ATOM 1240 CD LYS A 80 10.617 17.333 -1.240 1.00 0.00 C ATOM 1241 CE LYS A 80 11.672 18.383 -0.928 1.00 0.00 C ATOM 1242 NZ LYS A 80 11.139 19.460 -0.047 1.00 0.00 N ATOM 0 H LYS A 80 8.073 17.308 -4.757 1.00 0.00 H new ATOM 0 HA LYS A 80 9.510 15.342 -3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.494 17.519 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.205 16.478 -1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.028 17.975 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.249 18.849 -1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.127 17.023 -0.317 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.096 16.448 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.526 17.908 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.035 18.821 -1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.926 20.040 0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.484 20.059 -0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.635 19.034 0.756 1.00 0.00 H new ATOM 1256 N GLN A 81 6.247 15.095 -3.638 1.00 0.00 N ATOM 1257 CA GLN A 81 5.118 14.179 -3.528 1.00 0.00 C ATOM 1258 C GLN A 81 5.435 12.842 -4.190 1.00 0.00 C ATOM 1259 O GLN A 81 5.433 11.799 -3.537 1.00 0.00 O ATOM 1260 CB GLN A 81 3.871 14.794 -4.165 1.00 0.00 C ATOM 1261 CG GLN A 81 3.272 15.932 -3.355 1.00 0.00 C ATOM 1262 CD GLN A 81 1.944 16.408 -3.909 1.00 0.00 C ATOM 1263 OE1 GLN A 81 1.495 15.946 -4.959 1.00 0.00 O ATOM 1264 NE2 GLN A 81 1.307 17.337 -3.206 1.00 0.00 N ATOM 0 H GLN A 81 6.029 15.981 -4.095 1.00 0.00 H new ATOM 0 HA GLN A 81 4.927 14.003 -2.469 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.125 15.161 -5.159 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.118 14.016 -4.295 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.135 15.606 -2.324 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.973 16.767 -3.335 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.716 17.692 -2.341 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.409 17.696 -3.531 1.00 0.00 H new ATOM 1273 N MET A 82 5.706 12.881 -5.491 1.00 0.00 N ATOM 1274 CA MET A 82 6.026 11.672 -6.241 1.00 0.00 C ATOM 1275 C MET A 82 6.976 10.778 -5.452 1.00 0.00 C ATOM 1276 O MET A 82 6.771 9.568 -5.359 1.00 0.00 O ATOM 1277 CB MET A 82 6.649 12.033 -7.591 1.00 0.00 C ATOM 1278 CG MET A 82 8.077 12.543 -7.484 1.00 0.00 C ATOM 1279 SD MET A 82 8.805 12.911 -9.091 1.00 0.00 S ATOM 1280 CE MET A 82 7.486 13.854 -9.853 1.00 0.00 C ATOM 0 H MET A 82 5.710 13.736 -6.047 1.00 0.00 H new ATOM 0 HA MET A 82 5.099 11.125 -6.412 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.633 11.154 -8.236 1.00 0.00 H new ATOM 0 HB3 MET A 82 6.035 12.794 -8.073 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.092 13.442 -6.868 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.688 11.797 -6.975 1.00 0.00 H new ATOM 0 HE1 MET A 82 7.819 14.230 -10.820 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.615 13.214 -9.993 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.220 14.693 -9.210 1.00 0.00 H new ATOM 1290 N GLU A 83 8.017 11.381 -4.886 1.00 0.00 N ATOM 1291 CA GLU A 83 8.999 10.638 -4.106 1.00 0.00 C ATOM 1292 C GLU A 83 8.364 10.049 -2.850 1.00 0.00 C ATOM 1293 O GLU A 83 8.765 8.985 -2.380 1.00 0.00 O ATOM 1294 CB GLU A 83 10.170 11.545 -3.721 1.00 0.00 C ATOM 1295 CG GLU A 83 11.157 10.893 -2.767 1.00 0.00 C ATOM 1296 CD GLU A 83 12.305 11.812 -2.397 1.00 0.00 C ATOM 1297 OE1 GLU A 83 12.053 12.832 -1.722 1.00 0.00 O ATOM 1298 OE2 GLU A 83 13.454 11.512 -2.783 1.00 0.00 O ATOM 0 H GLU A 83 8.202 12.382 -4.953 1.00 0.00 H new ATOM 0 HA GLU A 83 9.370 9.819 -4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.698 11.847 -4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.779 12.453 -3.262 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.634 10.589 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.555 9.987 -3.225 1.00 0.00 H new ATOM 1305 N GLN A 84 7.371 10.750 -2.312 1.00 0.00 N ATOM 1306 CA GLN A 84 6.681 10.297 -1.110 1.00 0.00 C ATOM 1307 C GLN A 84 6.046 8.928 -1.330 1.00 0.00 C ATOM 1308 O GLN A 84 5.908 8.140 -0.394 1.00 0.00 O ATOM 1309 CB GLN A 84 5.610 11.309 -0.699 1.00 0.00 C ATOM 1310 CG GLN A 84 5.344 11.341 0.797 1.00 0.00 C ATOM 1311 CD GLN A 84 6.287 12.268 1.538 1.00 0.00 C ATOM 1312 OE1 GLN A 84 6.795 13.237 0.972 1.00 0.00 O ATOM 1313 NE2 GLN A 84 6.526 11.976 2.811 1.00 0.00 N ATOM 0 H GLN A 84 7.027 11.633 -2.689 1.00 0.00 H new ATOM 0 HA GLN A 84 7.416 10.212 -0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.916 12.303 -1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.682 11.074 -1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.316 11.658 0.973 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.440 10.333 1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.083 11.163 3.240 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.152 12.565 3.360 1.00 0.00 H new ATOM 1322 N ILE A 85 5.660 8.653 -2.571 1.00 0.00 N ATOM 1323 CA ILE A 85 5.040 7.378 -2.913 1.00 0.00 C ATOM 1324 C ILE A 85 6.056 6.242 -2.865 1.00 0.00 C ATOM 1325 O ILE A 85 5.816 5.207 -2.244 1.00 0.00 O ATOM 1326 CB ILE A 85 4.401 7.421 -4.313 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.342 8.524 -4.381 1.00 0.00 C ATOM 1328 CG2 ILE A 85 3.791 6.071 -4.658 1.00 0.00 C ATOM 1329 CD1 ILE A 85 2.999 8.946 -5.793 1.00 0.00 C ATOM 0 H ILE A 85 5.765 9.295 -3.356 1.00 0.00 H new ATOM 0 HA ILE A 85 4.261 7.197 -2.172 1.00 0.00 H new ATOM 0 HB ILE A 85 5.178 7.644 -5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.436 8.178 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.698 9.393 -3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.343 6.117 -5.651 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.568 5.307 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.024 5.820 -3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.243 9.730 -5.765 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.894 9.323 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.613 8.089 -6.345 1.00 0.00 H new ATOM 1341 N SER A 86 7.193 6.444 -3.522 1.00 0.00 N ATOM 1342 CA SER A 86 8.246 5.436 -3.556 1.00 0.00 C ATOM 1343 C SER A 86 8.558 4.929 -2.152 1.00 0.00 C ATOM 1344 O SER A 86 8.545 3.724 -1.899 1.00 0.00 O ATOM 1345 CB SER A 86 9.512 6.011 -4.195 1.00 0.00 C ATOM 1346 OG SER A 86 10.051 7.058 -3.407 1.00 0.00 O ATOM 0 H SER A 86 7.409 7.297 -4.038 1.00 0.00 H new ATOM 0 HA SER A 86 7.893 4.598 -4.157 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.254 5.222 -4.313 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.282 6.384 -5.193 1.00 0.00 H new ATOM 0 HG SER A 86 9.464 7.841 -3.458 1.00 0.00 H new ATOM 1352 N GLN A 87 8.838 5.857 -1.242 1.00 0.00 N ATOM 1353 CA GLN A 87 9.153 5.504 0.137 1.00 0.00 C ATOM 1354 C GLN A 87 8.324 4.309 0.596 1.00 0.00 C ATOM 1355 O GLN A 87 8.850 3.364 1.185 1.00 0.00 O ATOM 1356 CB GLN A 87 8.905 6.698 1.061 1.00 0.00 C ATOM 1357 CG GLN A 87 9.940 7.803 0.917 1.00 0.00 C ATOM 1358 CD GLN A 87 9.915 8.779 2.077 1.00 0.00 C ATOM 1359 OE1 GLN A 87 10.259 8.427 3.206 1.00 0.00 O ATOM 1360 NE2 GLN A 87 9.509 10.013 1.804 1.00 0.00 N ATOM 0 H GLN A 87 8.853 6.858 -1.435 1.00 0.00 H new ATOM 0 HA GLN A 87 10.207 5.231 0.184 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.916 7.108 0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.897 6.352 2.094 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.933 7.359 0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.762 8.344 -0.012 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.233 10.261 0.854 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.473 10.714 2.544 1.00 0.00 H new ATOM 1369 N PHE A 88 7.024 4.358 0.325 1.00 0.00 N ATOM 1370 CA PHE A 88 6.121 3.281 0.712 1.00 0.00 C ATOM 1371 C PHE A 88 6.484 1.983 -0.004 1.00 0.00 C ATOM 1372 O PHE A 88 6.716 0.954 0.632 1.00 0.00 O ATOM 1373 CB PHE A 88 4.673 3.662 0.396 1.00 0.00 C ATOM 1374 CG PHE A 88 3.762 2.478 0.241 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.613 1.562 1.270 1.00 0.00 C ATOM 1376 CD2 PHE A 88 3.054 2.281 -0.934 1.00 0.00 C ATOM 1377 CE1 PHE A 88 2.775 0.472 1.129 1.00 0.00 C ATOM 1378 CE2 PHE A 88 2.214 1.193 -1.080 1.00 0.00 C ATOM 1379 CZ PHE A 88 2.074 0.287 -0.047 1.00 0.00 C ATOM 0 H PHE A 88 6.572 5.133 -0.161 1.00 0.00 H new ATOM 0 HA PHE A 88 6.223 3.124 1.786 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.292 4.302 1.192 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.652 4.249 -0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.158 1.701 2.192 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.160 2.986 -1.745 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.668 -0.235 1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.668 1.052 -2.001 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.418 -0.564 -0.158 1.00 0.00 H new ATOM 1389 N LEU A 89 6.532 2.039 -1.330 1.00 0.00 N ATOM 1390 CA LEU A 89 6.866 0.869 -2.134 1.00 0.00 C ATOM 1391 C LEU A 89 8.078 0.142 -1.560 1.00 0.00 C ATOM 1392 O LEU A 89 8.004 -1.040 -1.227 1.00 0.00 O ATOM 1393 CB LEU A 89 7.143 1.282 -3.581 1.00 0.00 C ATOM 1394 CG LEU A 89 6.058 2.119 -4.260 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.459 2.457 -5.687 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.726 1.383 -4.239 1.00 0.00 C ATOM 0 H LEU A 89 6.344 2.883 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 89 6.014 0.189 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.076 1.845 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.300 0.379 -4.172 1.00 0.00 H new ATOM 0 HG LEU A 89 5.945 3.051 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.675 3.053 -6.154 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.390 3.025 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.601 1.536 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.965 1.993 -4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.825 0.436 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.432 1.192 -3.207 1.00 0.00 H new ATOM 1408 N GLN A 90 9.192 0.859 -1.446 1.00 0.00 N ATOM 1409 CA GLN A 90 10.419 0.282 -0.910 1.00 0.00 C ATOM 1410 C GLN A 90 10.124 -0.601 0.298 1.00 0.00 C ATOM 1411 O GLN A 90 10.773 -1.626 0.504 1.00 0.00 O ATOM 1412 CB GLN A 90 11.400 1.388 -0.520 1.00 0.00 C ATOM 1413 CG GLN A 90 12.014 2.105 -1.712 1.00 0.00 C ATOM 1414 CD GLN A 90 13.136 3.044 -1.314 1.00 0.00 C ATOM 1415 OE1 GLN A 90 12.894 4.179 -0.902 1.00 0.00 O ATOM 1416 NE2 GLN A 90 14.372 2.575 -1.436 1.00 0.00 N ATOM 0 H GLN A 90 9.270 1.839 -1.717 1.00 0.00 H new ATOM 0 HA GLN A 90 10.869 -0.336 -1.687 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.884 2.116 0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.198 0.958 0.085 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.396 1.367 -2.418 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.239 2.670 -2.230 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.526 1.628 -1.782 1.00 0.00 H new ATOM 0 HE22 GLN A 90 15.167 3.162 -1.184 1.00 0.00 H new ATOM 1425 N ALA A 91 9.139 -0.196 1.094 1.00 0.00 N ATOM 1426 CA ALA A 91 8.757 -0.951 2.280 1.00 0.00 C ATOM 1427 C ALA A 91 7.751 -2.044 1.935 1.00 0.00 C ATOM 1428 O ALA A 91 7.752 -3.116 2.540 1.00 0.00 O ATOM 1429 CB ALA A 91 8.184 -0.019 3.337 1.00 0.00 C ATOM 0 H ALA A 91 8.592 0.651 0.938 1.00 0.00 H new ATOM 0 HA ALA A 91 9.651 -1.429 2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.903 -0.597 4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.934 0.722 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.304 0.486 2.938 1.00 0.00 H new ATOM 1435 N ALA A 92 6.893 -1.765 0.959 1.00 0.00 N ATOM 1436 CA ALA A 92 5.882 -2.725 0.533 1.00 0.00 C ATOM 1437 C ALA A 92 6.518 -4.055 0.143 1.00 0.00 C ATOM 1438 O ALA A 92 6.104 -5.113 0.616 1.00 0.00 O ATOM 1439 CB ALA A 92 5.076 -2.163 -0.629 1.00 0.00 C ATOM 0 H ALA A 92 6.878 -0.882 0.449 1.00 0.00 H new ATOM 0 HA ALA A 92 5.211 -2.905 1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.325 -2.891 -0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.583 -1.242 -0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.742 -1.953 -1.466 1.00 0.00 H new ATOM 1445 N GLU A 93 7.526 -3.993 -0.721 1.00 0.00 N ATOM 1446 CA GLU A 93 8.218 -5.194 -1.175 1.00 0.00 C ATOM 1447 C GLU A 93 8.929 -5.883 -0.014 1.00 0.00 C ATOM 1448 O GLU A 93 8.777 -7.087 0.194 1.00 0.00 O ATOM 1449 CB GLU A 93 9.226 -4.845 -2.271 1.00 0.00 C ATOM 1450 CG GLU A 93 9.993 -6.047 -2.798 1.00 0.00 C ATOM 1451 CD GLU A 93 11.273 -6.306 -2.028 1.00 0.00 C ATOM 1452 OE1 GLU A 93 11.195 -6.893 -0.928 1.00 0.00 O ATOM 1453 OE2 GLU A 93 12.352 -5.922 -2.525 1.00 0.00 O ATOM 0 H GLU A 93 7.882 -3.125 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 93 7.474 -5.880 -1.581 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.700 -4.369 -3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.935 -4.114 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.357 -6.931 -2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.232 -5.888 -3.850 1.00 0.00 H new ATOM 1460 N ARG A 94 9.708 -5.111 0.737 1.00 0.00 N ATOM 1461 CA ARG A 94 10.444 -5.647 1.875 1.00 0.00 C ATOM 1462 C ARG A 94 9.493 -6.253 2.903 1.00 0.00 C ATOM 1463 O ARG A 94 9.875 -7.132 3.675 1.00 0.00 O ATOM 1464 CB ARG A 94 11.285 -4.548 2.528 1.00 0.00 C ATOM 1465 CG ARG A 94 12.542 -4.199 1.749 1.00 0.00 C ATOM 1466 CD ARG A 94 13.416 -3.216 2.513 1.00 0.00 C ATOM 1467 NE ARG A 94 12.749 -1.933 2.715 1.00 0.00 N ATOM 1468 CZ ARG A 94 13.360 -0.853 3.188 1.00 0.00 C ATOM 1469 NH1 ARG A 94 14.647 -0.901 3.505 1.00 0.00 N ATOM 1470 NH2 ARG A 94 12.685 0.278 3.344 1.00 0.00 N ATOM 0 H ARG A 94 9.845 -4.113 0.578 1.00 0.00 H new ATOM 0 HA ARG A 94 11.105 -6.433 1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.675 -3.652 2.637 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.566 -4.866 3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.108 -5.108 1.544 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.267 -3.770 0.785 1.00 0.00 H new ATOM 0 HD2 ARG A 94 13.681 -3.643 3.480 1.00 0.00 H new ATOM 0 HD3 ARG A 94 14.347 -3.059 1.968 1.00 0.00 H new ATOM 0 HE ARG A 94 11.759 -1.862 2.480 1.00 0.00 H new ATOM 0 HH11 ARG A 94 15.170 -1.769 3.386 1.00 0.00 H new ATOM 0 HH12 ARG A 94 15.114 -0.070 3.868 1.00 0.00 H new ATOM 0 HH21 ARG A 94 11.695 0.319 3.101 1.00 0.00 H new ATOM 0 HH22 ARG A 94 13.156 1.107 3.707 1.00 0.00 H new ATOM 1484 N TYR A 95 8.253 -5.776 2.906 1.00 0.00 N ATOM 1485 CA TYR A 95 7.247 -6.268 3.840 1.00 0.00 C ATOM 1486 C TYR A 95 6.766 -7.660 3.439 1.00 0.00 C ATOM 1487 O TYR A 95 6.378 -8.463 4.287 1.00 0.00 O ATOM 1488 CB TYR A 95 6.061 -5.304 3.900 1.00 0.00 C ATOM 1489 CG TYR A 95 4.821 -5.907 4.520 1.00 0.00 C ATOM 1490 CD1 TYR A 95 3.955 -6.690 3.766 1.00 0.00 C ATOM 1491 CD2 TYR A 95 4.516 -5.694 5.858 1.00 0.00 C ATOM 1492 CE1 TYR A 95 2.820 -7.243 4.328 1.00 0.00 C ATOM 1493 CE2 TYR A 95 3.384 -6.244 6.429 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.539 -7.017 5.660 1.00 0.00 C ATOM 1495 OH TYR A 95 1.410 -7.566 6.224 1.00 0.00 O ATOM 0 H TYR A 95 7.920 -5.049 2.272 1.00 0.00 H new ATOM 0 HA TYR A 95 7.705 -6.332 4.827 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.350 -4.421 4.471 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.825 -4.968 2.890 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.173 -6.869 2.723 1.00 0.00 H new ATOM 0 HD2 TYR A 95 5.175 -5.088 6.463 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.157 -7.849 3.728 1.00 0.00 H new ATOM 0 HE2 TYR A 95 3.162 -6.070 7.471 1.00 0.00 H new ATOM 0 HH TYR A 95 1.513 -8.539 6.281 1.00 0.00 H new ATOM 1505 N GLY A 96 6.795 -7.937 2.139 1.00 0.00 N ATOM 1506 CA GLY A 96 6.360 -9.232 1.647 1.00 0.00 C ATOM 1507 C GLY A 96 5.868 -9.172 0.215 1.00 0.00 C ATOM 1508 O GLY A 96 6.139 -10.073 -0.579 1.00 0.00 O ATOM 0 H GLY A 96 7.112 -7.289 1.418 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.187 -9.939 1.715 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.563 -9.611 2.286 1.00 0.00 H new ATOM 1512 N ILE A 97 5.143 -8.109 -0.116 1.00 0.00 N ATOM 1513 CA ILE A 97 4.612 -7.936 -1.462 1.00 0.00 C ATOM 1514 C ILE A 97 5.688 -8.183 -2.514 1.00 0.00 C ATOM 1515 O ILE A 97 6.871 -7.948 -2.272 1.00 0.00 O ATOM 1516 CB ILE A 97 4.029 -6.524 -1.661 1.00 0.00 C ATOM 1517 CG1 ILE A 97 2.908 -6.265 -0.653 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.518 -6.358 -3.084 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.304 -4.882 -0.763 1.00 0.00 C ATOM 0 H ILE A 97 4.910 -7.355 0.530 1.00 0.00 H new ATOM 0 HA ILE A 97 3.815 -8.669 -1.583 1.00 0.00 H new ATOM 0 HB ILE A 97 4.820 -5.793 -1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.123 -7.008 -0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.298 -6.403 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.109 -5.355 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.340 -6.505 -3.785 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.739 -7.095 -3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.516 -4.769 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.077 -4.133 -0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.884 -4.747 -1.760 1.00 0.00 H new ATOM 1531 N ASN A 98 5.268 -8.656 -3.683 1.00 0.00 N ATOM 1532 CA ASN A 98 6.197 -8.933 -4.773 1.00 0.00 C ATOM 1533 C ASN A 98 6.140 -7.833 -5.828 1.00 0.00 C ATOM 1534 O ASN A 98 5.065 -7.466 -6.303 1.00 0.00 O ATOM 1535 CB ASN A 98 5.876 -10.285 -5.412 1.00 0.00 C ATOM 1536 CG ASN A 98 7.103 -10.950 -6.007 1.00 0.00 C ATOM 1537 OD1 ASN A 98 7.976 -10.150 -6.607 1.00 0.00 O flip ATOM 1538 ND2 ASN A 98 7.263 -12.168 -5.926 1.00 0.00 N flip ATOM 0 H ASN A 98 4.291 -8.855 -3.900 1.00 0.00 H new ATOM 0 HA ASN A 98 7.205 -8.964 -4.360 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.437 -10.943 -4.662 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.127 -10.146 -6.192 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.565 -12.744 -5.455 1.00 0.00 H new ATOM 0 HD22 ASN A 98 8.094 -12.601 -6.330 1.00 0.00 H new ATOM 1545 N THR A 99 7.307 -7.309 -6.192 1.00 0.00 N ATOM 1546 CA THR A 99 7.391 -6.251 -7.190 1.00 0.00 C ATOM 1547 C THR A 99 6.589 -6.605 -8.437 1.00 0.00 C ATOM 1548 O THR A 99 6.254 -5.735 -9.242 1.00 0.00 O ATOM 1549 CB THR A 99 8.852 -5.975 -7.595 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.496 -7.198 -7.969 1.00 0.00 O ATOM 1551 CG2 THR A 99 9.616 -5.323 -6.452 1.00 0.00 C ATOM 0 H THR A 99 8.207 -7.601 -5.810 1.00 0.00 H new ATOM 0 HA THR A 99 6.972 -5.354 -6.734 1.00 0.00 H new ATOM 0 HB THR A 99 8.848 -5.292 -8.445 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.423 -7.014 -8.227 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.645 -5.138 -6.761 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.140 -4.378 -6.189 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.611 -5.985 -5.586 1.00 0.00 H new ATOM 1559 N THR A 100 6.283 -7.890 -8.593 1.00 0.00 N ATOM 1560 CA THR A 100 5.520 -8.360 -9.742 1.00 0.00 C ATOM 1561 C THR A 100 4.096 -7.816 -9.717 1.00 0.00 C ATOM 1562 O THR A 100 3.326 -8.024 -10.654 1.00 0.00 O ATOM 1563 CB THR A 100 5.469 -9.899 -9.791 1.00 0.00 C ATOM 1564 OG1 THR A 100 4.818 -10.405 -8.621 1.00 0.00 O ATOM 1565 CG2 THR A 100 6.870 -10.484 -9.891 1.00 0.00 C ATOM 0 H THR A 100 6.552 -8.623 -7.937 1.00 0.00 H new ATOM 0 HA THR A 100 6.031 -7.992 -10.632 1.00 0.00 H new ATOM 0 HB THR A 100 4.905 -10.194 -10.676 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.788 -11.384 -8.661 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.809 -11.572 -9.924 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.352 -10.120 -10.798 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.454 -10.180 -9.022 1.00 0.00 H new ATOM 1573 N ASP A 101 3.753 -7.119 -8.639 1.00 0.00 N ATOM 1574 CA ASP A 101 2.421 -6.544 -8.492 1.00 0.00 C ATOM 1575 C ASP A 101 2.505 -5.056 -8.166 1.00 0.00 C ATOM 1576 O ASP A 101 1.645 -4.273 -8.569 1.00 0.00 O ATOM 1577 CB ASP A 101 1.644 -7.276 -7.398 1.00 0.00 C ATOM 1578 CG ASP A 101 1.098 -8.610 -7.868 1.00 0.00 C ATOM 1579 OD1 ASP A 101 1.890 -9.569 -7.976 1.00 0.00 O ATOM 1580 OD2 ASP A 101 -0.120 -8.694 -8.130 1.00 0.00 O ATOM 0 H ASP A 101 4.379 -6.939 -7.854 1.00 0.00 H new ATOM 0 HA ASP A 101 1.895 -6.661 -9.439 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.296 -7.436 -6.539 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.820 -6.648 -7.060 1.00 0.00 H new ATOM 1585 N ILE A 102 3.545 -4.674 -7.432 1.00 0.00 N ATOM 1586 CA ILE A 102 3.741 -3.281 -7.052 1.00 0.00 C ATOM 1587 C ILE A 102 3.650 -2.362 -8.265 1.00 0.00 C ATOM 1588 O ILE A 102 4.254 -2.626 -9.305 1.00 0.00 O ATOM 1589 CB ILE A 102 5.103 -3.071 -6.364 1.00 0.00 C ATOM 1590 CG1 ILE A 102 5.170 -3.872 -5.062 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.338 -1.592 -6.095 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.478 -3.710 -4.320 1.00 0.00 C ATOM 0 H ILE A 102 4.265 -5.310 -7.089 1.00 0.00 H new ATOM 0 HA ILE A 102 2.946 -3.031 -6.349 1.00 0.00 H new ATOM 0 HB ILE A 102 5.889 -3.429 -7.029 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.352 -3.562 -4.412 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.017 -4.928 -5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.304 -1.460 -5.609 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.328 -1.045 -7.038 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.550 -1.211 -5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.455 -4.306 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.299 -4.047 -4.952 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.624 -2.660 -4.065 1.00 0.00 H new ATOM 1604 N PHE A 103 2.891 -1.279 -8.125 1.00 0.00 N ATOM 1605 CA PHE A 103 2.721 -0.319 -9.209 1.00 0.00 C ATOM 1606 C PHE A 103 3.953 0.570 -9.346 1.00 0.00 C ATOM 1607 O PHE A 103 4.923 0.423 -8.603 1.00 0.00 O ATOM 1608 CB PHE A 103 1.481 0.542 -8.966 1.00 0.00 C ATOM 1609 CG PHE A 103 1.599 1.440 -7.767 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.212 0.997 -6.513 1.00 0.00 C ATOM 1611 CD2 PHE A 103 2.100 2.726 -7.895 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.319 1.821 -5.409 1.00 0.00 C ATOM 1613 CE2 PHE A 103 2.210 3.554 -6.794 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.820 3.101 -5.549 1.00 0.00 C ATOM 0 H PHE A 103 2.384 -1.045 -7.271 1.00 0.00 H new ATOM 0 HA PHE A 103 2.592 -0.876 -10.137 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.293 1.152 -9.850 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.616 -0.109 -8.839 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.822 -0.004 -6.397 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.408 3.085 -8.866 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.011 1.465 -4.437 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.601 4.555 -6.907 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.906 3.746 -4.687 1.00 0.00 H new ATOM 1624 N GLN A 104 3.907 1.493 -10.302 1.00 0.00 N ATOM 1625 CA GLN A 104 5.019 2.405 -10.538 1.00 0.00 C ATOM 1626 C GLN A 104 4.715 3.791 -9.977 1.00 0.00 C ATOM 1627 O GLN A 104 3.659 4.364 -10.248 1.00 0.00 O ATOM 1628 CB GLN A 104 5.319 2.502 -12.034 1.00 0.00 C ATOM 1629 CG GLN A 104 6.336 1.481 -12.518 1.00 0.00 C ATOM 1630 CD GLN A 104 6.809 1.753 -13.932 1.00 0.00 C ATOM 1631 OE1 GLN A 104 6.003 1.943 -14.844 1.00 0.00 O ATOM 1632 NE2 GLN A 104 8.123 1.774 -14.124 1.00 0.00 N ATOM 0 H GLN A 104 3.111 1.628 -10.925 1.00 0.00 H new ATOM 0 HA GLN A 104 5.895 2.009 -10.025 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.391 2.371 -12.591 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.687 3.503 -12.258 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.194 1.482 -11.846 1.00 0.00 H new ATOM 0 HG3 GLN A 104 5.895 0.485 -12.472 1.00 0.00 H new ATOM 0 HE21 GLN A 104 8.756 1.612 -13.340 1.00 0.00 H new ATOM 0 HE22 GLN A 104 8.500 1.953 -15.055 1.00 0.00 H new ATOM 1641 N THR A 105 5.647 4.325 -9.194 1.00 0.00 N ATOM 1642 CA THR A 105 5.478 5.642 -8.594 1.00 0.00 C ATOM 1643 C THR A 105 4.701 6.572 -9.519 1.00 0.00 C ATOM 1644 O THR A 105 3.774 7.259 -9.091 1.00 0.00 O ATOM 1645 CB THR A 105 6.837 6.286 -8.260 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.562 5.454 -7.347 1.00 0.00 O ATOM 1647 CG2 THR A 105 6.646 7.668 -7.653 1.00 0.00 C ATOM 0 H THR A 105 6.527 3.865 -8.961 1.00 0.00 H new ATOM 0 HA THR A 105 4.916 5.499 -7.671 1.00 0.00 H new ATOM 0 HB THR A 105 7.403 6.388 -9.186 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.425 5.869 -7.141 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.619 8.103 -7.425 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.120 8.307 -8.362 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.062 7.585 -6.736 1.00 0.00 H new ATOM 1655 N VAL A 106 5.086 6.589 -10.792 1.00 0.00 N ATOM 1656 CA VAL A 106 4.424 7.434 -11.779 1.00 0.00 C ATOM 1657 C VAL A 106 3.029 6.911 -12.104 1.00 0.00 C ATOM 1658 O VAL A 106 2.050 7.656 -12.061 1.00 0.00 O ATOM 1659 CB VAL A 106 5.243 7.523 -13.080 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.372 6.152 -13.725 1.00 0.00 C ATOM 1661 CG2 VAL A 106 4.607 8.516 -14.042 1.00 0.00 C ATOM 0 H VAL A 106 5.852 6.028 -11.163 1.00 0.00 H new ATOM 0 HA VAL A 106 4.342 8.429 -11.341 1.00 0.00 H new ATOM 0 HB VAL A 106 6.244 7.878 -12.835 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.954 6.235 -14.643 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.875 5.472 -13.037 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.380 5.765 -13.958 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.198 8.567 -14.956 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.594 8.192 -14.282 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.572 9.501 -13.577 1.00 0.00 H new ATOM 1671 N ASP A 107 2.947 5.625 -12.428 1.00 0.00 N ATOM 1672 CA ASP A 107 1.671 5.000 -12.759 1.00 0.00 C ATOM 1673 C ASP A 107 0.541 5.600 -11.928 1.00 0.00 C ATOM 1674 O ASP A 107 -0.533 5.904 -12.449 1.00 0.00 O ATOM 1675 CB ASP A 107 1.744 3.490 -12.529 1.00 0.00 C ATOM 1676 CG ASP A 107 2.364 2.755 -13.701 1.00 0.00 C ATOM 1677 OD1 ASP A 107 3.091 3.398 -14.487 1.00 0.00 O ATOM 1678 OD2 ASP A 107 2.124 1.537 -13.831 1.00 0.00 O ATOM 0 H ASP A 107 3.748 4.995 -12.469 1.00 0.00 H new ATOM 0 HA ASP A 107 1.463 5.189 -13.812 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.326 3.290 -11.630 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.740 3.104 -12.351 1.00 0.00 H new ATOM 1683 N LEU A 108 0.789 5.766 -10.634 1.00 0.00 N ATOM 1684 CA LEU A 108 -0.209 6.329 -9.730 1.00 0.00 C ATOM 1685 C LEU A 108 -0.137 7.853 -9.720 1.00 0.00 C ATOM 1686 O LEU A 108 -1.163 8.532 -9.732 1.00 0.00 O ATOM 1687 CB LEU A 108 -0.004 5.789 -8.313 1.00 0.00 C ATOM 1688 CG LEU A 108 -0.785 6.497 -7.206 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -2.253 6.101 -7.251 1.00 0.00 C ATOM 1690 CD2 LEU A 108 -0.186 6.178 -5.843 1.00 0.00 C ATOM 0 H LEU A 108 1.672 5.519 -10.187 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.195 6.032 -10.087 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.277 4.734 -8.305 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.058 5.846 -8.074 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.715 7.572 -7.369 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.793 6.615 -6.456 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.676 6.380 -8.216 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.344 5.023 -7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.754 6.690 -5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.225 5.102 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.851 6.513 -5.814 1.00 0.00 H new ATOM 1702 N TRP A 109 1.081 8.382 -9.701 1.00 0.00 N ATOM 1703 CA TRP A 109 1.286 9.826 -9.692 1.00 0.00 C ATOM 1704 C TRP A 109 0.583 10.483 -10.875 1.00 0.00 C ATOM 1705 O TRP A 109 -0.399 11.203 -10.701 1.00 0.00 O ATOM 1706 CB TRP A 109 2.781 10.150 -9.727 1.00 0.00 C ATOM 1707 CG TRP A 109 3.103 11.523 -9.222 1.00 0.00 C ATOM 1708 CD1 TRP A 109 2.818 12.030 -7.986 1.00 0.00 C ATOM 1709 CD2 TRP A 109 3.770 12.566 -9.942 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.268 13.325 -7.894 1.00 0.00 N ATOM 1711 CE2 TRP A 109 3.856 13.678 -9.080 1.00 0.00 C ATOM 1712 CE3 TRP A 109 4.304 12.669 -11.229 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 4.454 14.874 -9.467 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 4.897 13.858 -11.611 1.00 0.00 C ATOM 1715 CH2 TRP A 109 4.968 14.947 -10.732 1.00 0.00 C ATOM 0 H TRP A 109 1.941 7.833 -9.692 1.00 0.00 H new ATOM 0 HA TRP A 109 0.857 10.223 -8.772 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.319 9.415 -9.128 1.00 0.00 H new ATOM 0 HB3 TRP A 109 3.143 10.053 -10.751 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.313 11.492 -7.197 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.179 13.926 -7.075 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.254 11.835 -11.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 4.510 15.715 -8.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 5.313 13.949 -12.604 1.00 0.00 H new ATOM 0 HH2 TRP A 109 5.438 15.862 -11.060 1.00 0.00 H new ATOM 1726 N GLU A 110 1.093 10.229 -12.076 1.00 0.00 N ATOM 1727 CA GLU A 110 0.512 10.798 -13.287 1.00 0.00 C ATOM 1728 C GLU A 110 -0.813 10.121 -13.625 1.00 0.00 C ATOM 1729 O GLU A 110 -1.611 10.646 -14.400 1.00 0.00 O ATOM 1730 CB GLU A 110 1.484 10.656 -14.460 1.00 0.00 C ATOM 1731 CG GLU A 110 2.621 11.662 -14.434 1.00 0.00 C ATOM 1732 CD GLU A 110 2.229 13.002 -15.028 1.00 0.00 C ATOM 1733 OE1 GLU A 110 1.664 13.836 -14.290 1.00 0.00 O ATOM 1734 OE2 GLU A 110 2.488 13.215 -16.231 1.00 0.00 O ATOM 0 H GLU A 110 1.906 9.634 -12.237 1.00 0.00 H new ATOM 0 HA GLU A 110 0.323 11.856 -13.107 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.901 9.649 -14.455 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.932 10.768 -15.393 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.949 11.807 -13.405 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.470 11.259 -14.986 1.00 0.00 H new ATOM 1741 N GLY A 111 -1.040 8.950 -13.036 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.268 8.219 -13.287 1.00 0.00 C ATOM 1743 C GLY A 111 -2.226 7.443 -14.588 1.00 0.00 C ATOM 1744 O GLY A 111 -3.264 7.045 -15.117 1.00 0.00 O ATOM 0 H GLY A 111 -0.395 8.495 -12.390 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.452 7.530 -12.463 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.104 8.918 -13.311 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.022 7.229 -15.108 1.00 0.00 N ATOM 1749 CA LYS A 112 -0.847 6.496 -16.356 1.00 0.00 C ATOM 1750 C LYS A 112 -1.454 5.100 -16.257 1.00 0.00 C ATOM 1751 O LYS A 112 -2.197 4.672 -17.140 1.00 0.00 O ATOM 1752 CB LYS A 112 0.639 6.393 -16.707 1.00 0.00 C ATOM 1753 CG LYS A 112 1.199 7.648 -17.354 1.00 0.00 C ATOM 1754 CD LYS A 112 2.710 7.725 -17.208 1.00 0.00 C ATOM 1755 CE LYS A 112 3.407 6.683 -18.069 1.00 0.00 C ATOM 1756 NZ LYS A 112 4.880 6.676 -17.849 1.00 0.00 N ATOM 0 H LYS A 112 -0.153 7.553 -14.684 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.364 7.043 -17.145 1.00 0.00 H new ATOM 0 HB2 LYS A 112 1.204 6.179 -15.800 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.787 5.550 -17.381 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.934 7.663 -18.411 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.743 8.527 -16.899 1.00 0.00 H new ATOM 0 HD2 LYS A 112 3.054 8.720 -17.490 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.984 7.577 -16.163 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.002 5.696 -17.844 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.198 6.882 -19.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.318 5.952 -18.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 5.271 7.610 -18.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 5.081 6.461 -16.851 1.00 0.00 H new ATOM 1770 N ASN A 113 -1.133 4.395 -15.177 1.00 0.00 N ATOM 1771 CA ASN A 113 -1.648 3.048 -14.963 1.00 0.00 C ATOM 1772 C ASN A 113 -2.422 2.963 -13.651 1.00 0.00 C ATOM 1773 O ASN A 113 -1.961 2.358 -12.684 1.00 0.00 O ATOM 1774 CB ASN A 113 -0.500 2.036 -14.956 1.00 0.00 C ATOM 1775 CG ASN A 113 -0.973 0.623 -15.242 1.00 0.00 C ATOM 1776 OD1 ASN A 113 -2.174 0.363 -15.319 1.00 0.00 O ATOM 1777 ND2 ASN A 113 -0.028 -0.296 -15.401 1.00 0.00 N ATOM 0 H ASN A 113 -0.519 4.734 -14.437 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.328 2.812 -15.782 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.241 2.326 -15.701 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.003 2.061 -13.986 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -0.285 -1.264 -15.596 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.955 -0.034 -15.328 1.00 0.00 H new ATOM 1784 N MET A 114 -3.602 3.575 -13.626 1.00 0.00 N ATOM 1785 CA MET A 114 -4.441 3.567 -12.434 1.00 0.00 C ATOM 1786 C MET A 114 -5.255 2.280 -12.350 1.00 0.00 C ATOM 1787 O MET A 114 -6.408 2.290 -11.919 1.00 0.00 O ATOM 1788 CB MET A 114 -5.378 4.777 -12.436 1.00 0.00 C ATOM 1789 CG MET A 114 -6.020 5.050 -11.085 1.00 0.00 C ATOM 1790 SD MET A 114 -4.857 5.735 -9.889 1.00 0.00 S ATOM 1791 CE MET A 114 -5.378 4.897 -8.393 1.00 0.00 C ATOM 0 H MET A 114 -3.998 4.082 -14.417 1.00 0.00 H new ATOM 0 HA MET A 114 -3.790 3.621 -11.562 1.00 0.00 H new ATOM 0 HB2 MET A 114 -4.819 5.659 -12.748 1.00 0.00 H new ATOM 0 HB3 MET A 114 -6.162 4.618 -13.176 1.00 0.00 H new ATOM 0 HG2 MET A 114 -6.851 5.743 -11.215 1.00 0.00 H new ATOM 0 HG3 MET A 114 -6.437 4.123 -10.691 1.00 0.00 H new ATOM 0 HE1 MET A 114 -4.504 4.658 -7.787 1.00 0.00 H new ATOM 0 HE2 MET A 114 -6.046 5.546 -7.826 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.901 3.977 -8.655 1.00 0.00 H new ATOM 1801 N ALA A 115 -4.649 1.173 -12.766 1.00 0.00 N ATOM 1802 CA ALA A 115 -5.317 -0.122 -12.736 1.00 0.00 C ATOM 1803 C ALA A 115 -4.426 -1.185 -12.103 1.00 0.00 C ATOM 1804 O ALA A 115 -4.828 -2.341 -11.960 1.00 0.00 O ATOM 1805 CB ALA A 115 -5.722 -0.539 -14.142 1.00 0.00 C ATOM 0 H ALA A 115 -3.696 1.147 -13.128 1.00 0.00 H new ATOM 0 HA ALA A 115 -6.214 -0.026 -12.124 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.220 -1.508 -14.105 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.403 0.203 -14.560 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.834 -0.611 -14.770 1.00 0.00 H new ATOM 1811 N CYS A 116 -3.215 -0.788 -11.727 1.00 0.00 N ATOM 1812 CA CYS A 116 -2.266 -1.708 -11.110 1.00 0.00 C ATOM 1813 C CYS A 116 -2.169 -1.464 -9.608 1.00 0.00 C ATOM 1814 O CYS A 116 -2.229 -2.400 -8.810 1.00 0.00 O ATOM 1815 CB CYS A 116 -0.887 -1.558 -11.754 1.00 0.00 C ATOM 1816 SG CYS A 116 0.125 -3.055 -11.689 1.00 0.00 S ATOM 0 H CYS A 116 -2.867 0.164 -11.839 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.626 -2.724 -11.271 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -1.014 -1.263 -12.796 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.352 -0.749 -11.257 1.00 0.00 H new ATOM 0 HG CYS A 116 1.271 -2.829 -12.260 1.00 0.00 H new ATOM 1822 N VAL A 117 -2.018 -0.199 -9.228 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.912 0.170 -7.822 1.00 0.00 C ATOM 1824 C VAL A 117 -3.145 -0.274 -7.043 1.00 0.00 C ATOM 1825 O VAL A 117 -3.063 -0.576 -5.853 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.731 1.690 -7.652 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.824 2.444 -8.394 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -1.721 2.063 -6.177 1.00 0.00 C ATOM 0 H VAL A 117 -1.966 0.588 -9.875 1.00 0.00 H new ATOM 0 HA VAL A 117 -1.033 -0.339 -7.427 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.771 1.975 -8.082 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.680 3.516 -8.263 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.779 2.199 -9.455 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.798 2.157 -7.997 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.592 3.141 -6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.665 1.766 -5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -0.899 1.551 -5.678 1.00 0.00 H new ATOM 1838 N GLN A 118 -4.286 -0.311 -7.723 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.537 -0.719 -7.094 1.00 0.00 C ATOM 1840 C GLN A 118 -5.376 -2.056 -6.379 1.00 0.00 C ATOM 1841 O GLN A 118 -5.920 -2.259 -5.293 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.650 -0.817 -8.139 1.00 0.00 C ATOM 1843 CG GLN A 118 -7.096 0.532 -8.681 1.00 0.00 C ATOM 1844 CD GLN A 118 -7.836 1.360 -7.649 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -7.520 2.530 -7.432 1.00 0.00 O ATOM 1846 NE2 GLN A 118 -8.827 0.755 -7.005 1.00 0.00 N ATOM 0 H GLN A 118 -4.370 -0.064 -8.709 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.807 0.037 -6.356 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.306 -1.436 -8.967 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.508 -1.324 -7.697 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -6.224 1.086 -9.028 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.740 0.377 -9.546 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -9.055 -0.216 -7.217 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.361 1.262 -6.299 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.628 -2.965 -6.995 1.00 0.00 N ATOM 1856 CA ARG A 119 -4.397 -4.283 -6.417 1.00 0.00 C ATOM 1857 C ARG A 119 -3.220 -4.254 -5.446 1.00 0.00 C ATOM 1858 O ARG A 119 -3.321 -4.731 -4.316 1.00 0.00 O ATOM 1859 CB ARG A 119 -4.135 -5.309 -7.522 1.00 0.00 C ATOM 1860 CG ARG A 119 -3.904 -6.718 -7.002 1.00 0.00 C ATOM 1861 CD ARG A 119 -3.920 -7.738 -8.130 1.00 0.00 C ATOM 1862 NE ARG A 119 -5.258 -7.919 -8.686 1.00 0.00 N ATOM 1863 CZ ARG A 119 -5.522 -8.697 -9.729 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -4.544 -9.364 -10.327 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -6.766 -8.811 -10.177 1.00 0.00 N ATOM 0 H ARG A 119 -4.172 -2.813 -7.894 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.292 -4.572 -5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.983 -5.318 -8.206 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.264 -4.996 -8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.947 -6.763 -6.483 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -4.674 -6.969 -6.273 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.240 -7.416 -8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -3.549 -8.694 -7.760 1.00 0.00 H new ATOM 0 HE ARG A 119 -6.033 -7.420 -8.249 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -3.586 -9.280 -9.986 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -4.749 -9.961 -11.128 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -7.521 -8.300 -9.720 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -6.967 -9.409 -10.978 1.00 0.00 H new ATOM 1879 N THR A 120 -2.103 -3.690 -5.896 1.00 0.00 N ATOM 1880 CA THR A 120 -0.907 -3.599 -5.069 1.00 0.00 C ATOM 1881 C THR A 120 -1.266 -3.380 -3.603 1.00 0.00 C ATOM 1882 O THR A 120 -0.681 -3.996 -2.711 1.00 0.00 O ATOM 1883 CB THR A 120 0.013 -2.455 -5.536 1.00 0.00 C ATOM 1884 OG1 THR A 120 0.697 -2.835 -6.735 1.00 0.00 O ATOM 1885 CG2 THR A 120 1.028 -2.103 -4.458 1.00 0.00 C ATOM 0 H THR A 120 -2.002 -3.290 -6.829 1.00 0.00 H new ATOM 0 HA THR A 120 -0.379 -4.547 -5.173 1.00 0.00 H new ATOM 0 HB THR A 120 -0.605 -1.579 -5.732 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.598 -3.800 -6.876 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.667 -1.293 -4.810 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.505 -1.787 -3.555 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.640 -2.977 -4.235 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.232 -2.501 -3.361 1.00 0.00 N ATOM 1894 CA LEU A 121 -2.671 -2.202 -2.002 1.00 0.00 C ATOM 1895 C LEU A 121 -3.297 -3.430 -1.349 1.00 0.00 C ATOM 1896 O LEU A 121 -2.821 -3.908 -0.321 1.00 0.00 O ATOM 1897 CB LEU A 121 -3.675 -1.047 -2.012 1.00 0.00 C ATOM 1898 CG LEU A 121 -3.162 0.283 -2.566 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -4.243 1.349 -2.477 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -1.912 0.724 -1.820 1.00 0.00 C ATOM 0 H LEU A 121 -2.726 -1.983 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.797 -1.910 -1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.543 -1.351 -2.597 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.021 -0.883 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.903 0.143 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.861 2.289 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.112 1.036 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.532 1.488 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.561 1.672 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.144 0.847 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.134 -0.031 -1.935 1.00 0.00 H new ATOM 1912 N MET A 122 -4.366 -3.936 -1.956 1.00 0.00 N ATOM 1913 CA MET A 122 -5.055 -5.111 -1.435 1.00 0.00 C ATOM 1914 C MET A 122 -4.059 -6.125 -0.883 1.00 0.00 C ATOM 1915 O MET A 122 -4.258 -6.679 0.197 1.00 0.00 O ATOM 1916 CB MET A 122 -5.905 -5.757 -2.530 1.00 0.00 C ATOM 1917 CG MET A 122 -7.288 -5.143 -2.669 1.00 0.00 C ATOM 1918 SD MET A 122 -8.514 -6.320 -3.270 1.00 0.00 S ATOM 1919 CE MET A 122 -9.299 -6.806 -1.735 1.00 0.00 C ATOM 0 H MET A 122 -4.773 -3.551 -2.808 1.00 0.00 H new ATOM 0 HA MET A 122 -5.706 -4.789 -0.622 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.382 -5.672 -3.482 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.009 -6.821 -2.317 1.00 0.00 H new ATOM 0 HG2 MET A 122 -7.607 -4.754 -1.702 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.238 -4.296 -3.353 1.00 0.00 H new ATOM 0 HE1 MET A 122 -10.140 -7.465 -1.949 1.00 0.00 H new ATOM 0 HE2 MET A 122 -8.578 -7.330 -1.108 1.00 0.00 H new ATOM 0 HE3 MET A 122 -9.657 -5.919 -1.213 1.00 0.00 H new ATOM 1929 N ASN A 123 -2.987 -6.363 -1.632 1.00 0.00 N ATOM 1930 CA ASN A 123 -1.960 -7.312 -1.217 1.00 0.00 C ATOM 1931 C ASN A 123 -1.448 -6.982 0.182 1.00 0.00 C ATOM 1932 O ASN A 123 -1.314 -7.865 1.030 1.00 0.00 O ATOM 1933 CB ASN A 123 -0.798 -7.305 -2.212 1.00 0.00 C ATOM 1934 CG ASN A 123 -1.047 -8.216 -3.398 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -1.092 -9.438 -3.257 1.00 0.00 O ATOM 1936 ND2 ASN A 123 -1.209 -7.624 -4.575 1.00 0.00 N ATOM 0 H ASN A 123 -2.807 -5.912 -2.529 1.00 0.00 H new ATOM 0 HA ASN A 123 -2.406 -8.306 -1.196 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -0.633 -6.288 -2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 123 0.114 -7.617 -1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -1.379 -8.186 -5.409 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -1.164 -6.607 -4.645 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.165 -5.706 0.417 1.00 0.00 N ATOM 1944 CA LEU A 124 -0.668 -5.258 1.714 1.00 0.00 C ATOM 1945 C LEU A 124 -1.606 -5.694 2.836 1.00 0.00 C ATOM 1946 O LEU A 124 -1.160 -6.129 3.897 1.00 0.00 O ATOM 1947 CB LEU A 124 -0.514 -3.736 1.725 1.00 0.00 C ATOM 1948 CG LEU A 124 0.318 -3.155 2.869 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.797 -3.429 2.645 1.00 0.00 C ATOM 1950 CD2 LEU A 124 0.066 -1.660 3.005 1.00 0.00 C ATOM 0 H LEU A 124 -1.271 -4.963 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 124 0.307 -5.717 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.062 -3.430 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.508 -3.290 1.762 1.00 0.00 H new ATOM 0 HG LEU A 124 0.015 -3.641 3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.374 -3.008 3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.964 -4.505 2.597 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.114 -2.970 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.666 -1.263 3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.341 -1.159 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.990 -1.486 3.212 1.00 0.00 H new ATOM 1962 N GLY A 125 -2.907 -5.576 2.592 1.00 0.00 N ATOM 1963 CA GLY A 125 -3.887 -5.964 3.590 1.00 0.00 C ATOM 1964 C GLY A 125 -3.962 -7.466 3.775 1.00 0.00 C ATOM 1965 O GLY A 125 -3.757 -7.974 4.877 1.00 0.00 O ATOM 0 H GLY A 125 -3.300 -5.219 1.721 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.637 -5.496 4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -4.867 -5.588 3.298 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.260 -8.181 2.694 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.359 -9.627 2.764 1.00 0.00 C ATOM 1971 C GLY A 126 -3.172 -10.255 3.468 1.00 0.00 C ATOM 1972 O GLY A 126 -3.323 -11.234 4.201 1.00 0.00 O ATOM 0 H GLY A 126 -4.435 -7.784 1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.275 -9.901 3.288 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.436 -10.032 1.755 1.00 0.00 H new ATOM 1976 N LEU A 127 -1.989 -9.694 3.245 1.00 0.00 N ATOM 1977 CA LEU A 127 -0.771 -10.207 3.863 1.00 0.00 C ATOM 1978 C LEU A 127 -0.791 -9.987 5.372 1.00 0.00 C ATOM 1979 O LEU A 127 -0.535 -10.908 6.147 1.00 0.00 O ATOM 1980 CB LEU A 127 0.458 -9.529 3.254 1.00 0.00 C ATOM 1981 CG LEU A 127 0.836 -9.971 1.840 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.513 -8.835 1.089 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.740 -11.195 1.887 1.00 0.00 C ATOM 0 H LEU A 127 -1.847 -8.884 2.641 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.720 -11.279 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.286 -8.453 3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.310 -9.709 3.910 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.077 -10.239 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.775 -9.168 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.833 -7.986 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.417 -8.536 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 127 1.999 -11.495 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.650 -10.955 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.220 -12.013 2.386 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.099 -8.761 5.782 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.158 -8.421 7.198 1.00 0.00 C ATOM 1997 C ALA A 128 -2.046 -9.398 7.961 1.00 0.00 C ATOM 1998 O ALA A 128 -1.697 -9.849 9.052 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.660 -6.997 7.379 1.00 0.00 C ATOM 0 H ALA A 128 -1.312 -7.987 5.153 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.150 -8.493 7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.699 -6.757 8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -0.984 -6.306 6.876 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.658 -6.906 6.950 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.197 -9.721 7.380 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.136 -10.645 8.005 1.00 0.00 C ATOM 2007 C VAL A 129 -3.534 -12.040 8.130 1.00 0.00 C ATOM 2008 O VAL A 129 -4.028 -12.875 8.887 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.451 -10.735 7.208 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.411 -11.713 7.868 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.087 -9.360 7.072 1.00 0.00 C ATOM 0 H VAL A 129 -3.502 -9.356 6.477 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.349 -10.254 9.000 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.224 -11.106 6.208 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.334 -11.763 7.290 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -5.954 -12.702 7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.634 -11.376 8.880 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.015 -9.443 6.506 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.301 -8.958 8.063 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.402 -8.692 6.550 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.463 -12.285 7.383 1.00 0.00 N ATOM 2022 CA ALA A 130 -1.791 -13.578 7.411 1.00 0.00 C ATOM 2023 C ALA A 130 -0.582 -13.548 8.340 1.00 0.00 C ATOM 2024 O ALA A 130 0.365 -14.317 8.168 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.370 -13.986 6.007 1.00 0.00 C ATOM 0 H ALA A 130 -2.042 -11.605 6.751 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.494 -14.316 7.796 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -0.869 -14.954 6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.251 -14.057 5.369 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.687 -13.240 5.601 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.619 -12.656 9.324 1.00 0.00 N ATOM 2032 CA ARG A 131 0.475 -12.524 10.279 1.00 0.00 C ATOM 2033 C ARG A 131 0.017 -12.901 11.685 1.00 0.00 C ATOM 2034 O ARG A 131 0.669 -13.689 12.371 1.00 0.00 O ATOM 2035 CB ARG A 131 1.016 -11.094 10.274 1.00 0.00 C ATOM 2036 CG ARG A 131 1.214 -10.523 8.879 1.00 0.00 C ATOM 2037 CD ARG A 131 2.588 -10.866 8.326 1.00 0.00 C ATOM 2038 NE ARG A 131 3.657 -10.199 9.065 1.00 0.00 N ATOM 2039 CZ ARG A 131 4.933 -10.562 8.998 1.00 0.00 C ATOM 2040 NH1 ARG A 131 5.297 -11.580 8.230 1.00 0.00 N ATOM 2041 NH2 ARG A 131 5.848 -9.906 9.700 1.00 0.00 N ATOM 0 H ARG A 131 -1.395 -12.013 9.481 1.00 0.00 H new ATOM 0 HA ARG A 131 1.270 -13.206 9.979 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.329 -10.453 10.826 1.00 0.00 H new ATOM 0 HB3 ARG A 131 1.968 -11.073 10.805 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.445 -10.913 8.213 1.00 0.00 H new ATOM 0 HG3 ARG A 131 1.092 -9.440 8.907 1.00 0.00 H new ATOM 0 HD2 ARG A 131 2.737 -11.945 8.368 1.00 0.00 H new ATOM 0 HD3 ARG A 131 2.639 -10.578 7.276 1.00 0.00 H new ATOM 0 HE ARG A 131 3.410 -9.412 9.665 1.00 0.00 H new ATOM 0 HH11 ARG A 131 4.596 -12.087 7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 131 6.278 -11.856 8.181 1.00 0.00 H new ATOM 0 HH21 ARG A 131 5.572 -9.122 10.292 1.00 0.00 H new ATOM 0 HH22 ARG A 131 6.828 -10.185 9.648 1.00 0.00 H new ATOM 2055 N ASP A 132 -1.107 -12.333 12.108 1.00 0.00 N ATOM 2056 CA ASP A 132 -1.652 -12.609 13.432 1.00 0.00 C ATOM 2057 C ASP A 132 -0.765 -12.013 14.520 1.00 0.00 C ATOM 2058 O ASP A 132 -0.717 -12.518 15.642 1.00 0.00 O ATOM 2059 CB ASP A 132 -1.796 -14.117 13.643 1.00 0.00 C ATOM 2060 CG ASP A 132 -2.853 -14.459 14.674 1.00 0.00 C ATOM 2061 OD1 ASP A 132 -3.799 -13.661 14.842 1.00 0.00 O ATOM 2062 OD2 ASP A 132 -2.736 -15.526 15.313 1.00 0.00 O ATOM 0 H ASP A 132 -1.658 -11.679 11.553 1.00 0.00 H new ATOM 0 HA ASP A 132 -2.636 -12.145 13.497 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -2.051 -14.591 12.695 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -0.838 -14.530 13.959 1.00 0.00 H new ATOM 2067 N ASP A 133 -0.064 -10.937 14.181 1.00 0.00 N ATOM 2068 CA ASP A 133 0.822 -10.271 15.129 1.00 0.00 C ATOM 2069 C ASP A 133 0.034 -9.345 16.051 1.00 0.00 C ATOM 2070 O ASP A 133 0.365 -9.195 17.227 1.00 0.00 O ATOM 2071 CB ASP A 133 1.896 -9.477 14.385 1.00 0.00 C ATOM 2072 CG ASP A 133 2.903 -10.373 13.692 1.00 0.00 C ATOM 2073 OD1 ASP A 133 2.592 -11.564 13.483 1.00 0.00 O ATOM 2074 OD2 ASP A 133 4.004 -9.884 13.360 1.00 0.00 O ATOM 0 H ASP A 133 -0.092 -10.507 13.257 1.00 0.00 H new ATOM 0 HA ASP A 133 1.304 -11.036 15.738 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.420 -8.831 13.647 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.416 -8.827 15.089 1.00 0.00 H new ATOM 2079 N GLY A 134 -1.010 -8.726 15.509 1.00 0.00 N ATOM 2080 CA GLY A 134 -1.828 -7.822 16.296 1.00 0.00 C ATOM 2081 C GLY A 134 -1.604 -6.368 15.928 1.00 0.00 C ATOM 2082 O GLY A 134 -1.368 -5.529 16.798 1.00 0.00 O ATOM 0 H GLY A 134 -1.304 -8.834 14.538 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.879 -8.072 16.154 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.607 -7.964 17.354 1.00 0.00 H new ATOM 2086 N LEU A 135 -1.676 -6.069 14.636 1.00 0.00 N ATOM 2087 CA LEU A 135 -1.477 -4.707 14.154 1.00 0.00 C ATOM 2088 C LEU A 135 -2.573 -4.313 13.168 1.00 0.00 C ATOM 2089 O LEU A 135 -3.206 -3.267 13.313 1.00 0.00 O ATOM 2090 CB LEU A 135 -0.106 -4.574 13.489 1.00 0.00 C ATOM 2091 CG LEU A 135 1.088 -5.060 14.311 1.00 0.00 C ATOM 2092 CD1 LEU A 135 2.332 -5.155 13.441 1.00 0.00 C ATOM 2093 CD2 LEU A 135 1.332 -4.134 15.494 1.00 0.00 C ATOM 0 H LEU A 135 -1.871 -6.751 13.903 1.00 0.00 H new ATOM 0 HA LEU A 135 -1.525 -4.035 15.011 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -0.125 -5.127 12.550 1.00 0.00 H new ATOM 0 HB3 LEU A 135 0.054 -3.525 13.238 1.00 0.00 H new ATOM 0 HG LEU A 135 0.861 -6.055 14.694 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.171 -5.502 14.043 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.154 -5.858 12.627 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.563 -4.173 13.028 1.00 0.00 H new ATOM 0 HD21 LEU A 135 2.185 -4.495 16.068 1.00 0.00 H new ATOM 0 HD22 LEU A 135 1.538 -3.127 15.131 1.00 0.00 H new ATOM 0 HD23 LEU A 135 0.447 -4.116 16.131 1.00 0.00 H new ATOM 2105 N PHE A 136 -2.793 -5.159 12.167 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.814 -4.900 11.158 1.00 0.00 C ATOM 2107 C PHE A 136 -5.092 -4.370 11.801 1.00 0.00 C ATOM 2108 O PHE A 136 -5.381 -4.658 12.962 1.00 0.00 O ATOM 2109 CB PHE A 136 -4.117 -6.176 10.370 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.497 -6.201 9.777 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.606 -6.412 10.580 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.684 -6.012 8.417 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.877 -6.436 10.036 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -6.953 -6.035 7.868 1.00 0.00 C ATOM 2115 CZ PHE A 136 -8.050 -6.246 8.679 1.00 0.00 C ATOM 0 H PHE A 136 -2.278 -6.029 12.033 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.431 -4.142 10.475 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.384 -6.282 9.570 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.997 -7.037 11.028 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.476 -6.559 11.642 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.829 -5.845 7.779 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.734 -6.603 10.672 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -7.086 -5.888 6.806 1.00 0.00 H new ATOM 0 HZ PHE A 136 -9.042 -6.262 8.253 1.00 0.00 H new ATOM 2125 N SER A 137 -5.854 -3.594 11.037 1.00 0.00 N ATOM 2126 CA SER A 137 -7.099 -3.019 11.532 1.00 0.00 C ATOM 2127 C SER A 137 -8.202 -3.128 10.484 1.00 0.00 C ATOM 2128 O SER A 137 -7.978 -3.621 9.379 1.00 0.00 O ATOM 2129 CB SER A 137 -6.891 -1.554 11.919 1.00 0.00 C ATOM 2130 OG SER A 137 -6.448 -1.439 13.261 1.00 0.00 O ATOM 0 H SER A 137 -5.631 -3.349 10.072 1.00 0.00 H new ATOM 0 HA SER A 137 -7.404 -3.581 12.415 1.00 0.00 H new ATOM 0 HB2 SER A 137 -6.160 -1.098 11.251 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.824 -1.005 11.792 1.00 0.00 H new ATOM 0 HG SER A 137 -6.321 -0.493 13.484 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.397 -2.664 10.840 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.518 -2.719 9.920 1.00 0.00 C ATOM 2138 C GLY A 138 -11.174 -4.085 9.886 1.00 0.00 C ATOM 2139 O GLY A 138 -11.027 -4.875 10.819 1.00 0.00 O ATOM 0 H GLY A 138 -9.608 -2.251 11.749 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.257 -1.972 10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -10.175 -2.459 8.919 1.00 0.00 H new ATOM 2143 N ASP A 139 -11.901 -4.363 8.810 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.583 -5.643 8.658 1.00 0.00 C ATOM 2145 C ASP A 139 -11.672 -6.668 7.989 1.00 0.00 C ATOM 2146 O ASP A 139 -11.189 -6.471 6.874 1.00 0.00 O ATOM 2147 CB ASP A 139 -13.863 -5.469 7.839 1.00 0.00 C ATOM 2148 CG ASP A 139 -14.884 -6.553 8.123 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -14.471 -7.703 8.385 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -16.095 -6.253 8.083 1.00 0.00 O ATOM 0 H ASP A 139 -12.033 -3.719 8.030 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.843 -6.008 9.651 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -14.301 -4.495 8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -13.615 -5.476 6.778 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.431 -7.789 8.685 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.577 -8.867 8.179 1.00 0.00 C ATOM 2157 C PRO A 140 -11.215 -9.612 7.011 1.00 0.00 C ATOM 2158 O PRO A 140 -10.610 -10.515 6.435 1.00 0.00 O ATOM 2159 CB PRO A 140 -10.423 -9.795 9.386 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.635 -9.542 10.215 1.00 0.00 C ATOM 2161 CD PRO A 140 -11.974 -8.090 10.020 1.00 0.00 C ATOM 0 HA PRO A 140 -9.631 -8.489 7.792 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.365 -10.839 9.078 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.511 -9.575 9.941 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -12.461 -10.181 9.903 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -11.442 -9.760 11.265 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -13.050 -7.919 10.064 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.520 -7.465 10.789 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.440 -9.228 6.668 1.00 0.00 N ATOM 2170 CA ASN A 141 -13.160 -9.861 5.569 1.00 0.00 C ATOM 2171 C ASN A 141 -12.719 -9.284 4.227 1.00 0.00 C ATOM 2172 O ASN A 141 -12.511 -10.020 3.262 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.668 -9.675 5.746 1.00 0.00 C ATOM 2174 CG ASN A 141 -15.258 -10.652 6.745 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -15.821 -11.679 6.366 1.00 0.00 O ATOM 2176 ND2 ASN A 141 -15.130 -10.336 8.028 1.00 0.00 N ATOM 0 H ASN A 141 -12.955 -8.482 7.135 1.00 0.00 H new ATOM 0 HA ASN A 141 -12.928 -10.926 5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.869 -8.656 6.076 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -15.162 -9.801 4.783 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -15.506 -10.955 8.746 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -14.655 -9.474 8.296 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.579 -7.965 4.174 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.162 -7.289 2.950 1.00 0.00 C ATOM 2185 C TRP A 142 -11.048 -8.063 2.253 1.00 0.00 C ATOM 2186 O TRP A 142 -11.065 -8.232 1.034 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.694 -5.867 3.262 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.783 -4.987 3.796 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -14.109 -5.036 3.472 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.638 -3.925 4.746 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.797 -4.069 4.164 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -13.918 -3.375 4.953 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.553 -3.388 5.443 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -14.139 -2.313 5.826 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.774 -2.334 6.310 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -13.059 -1.807 6.496 1.00 0.00 C ATOM 0 H TRP A 142 -12.748 -7.342 4.964 1.00 0.00 H new ATOM 0 HA TRP A 142 -13.021 -7.242 2.280 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -10.883 -5.910 3.989 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -11.286 -5.419 2.356 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.551 -5.732 2.775 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.800 -3.896 4.101 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.559 -3.789 5.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -15.128 -1.903 5.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -10.942 -1.910 6.853 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -13.200 -0.985 7.182 1.00 0.00 H new ATOM 2207 N PHE A 143 -10.081 -8.533 3.035 1.00 0.00 N ATOM 2208 CA PHE A 143 -8.959 -9.289 2.492 1.00 0.00 C ATOM 2209 C PHE A 143 -8.923 -10.700 3.070 1.00 0.00 C ATOM 2210 O PHE A 143 -8.724 -10.902 4.269 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.641 -8.570 2.789 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.736 -7.075 2.681 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -7.491 -6.437 1.476 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -8.072 -6.307 3.785 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -7.577 -5.061 1.374 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -8.160 -4.931 3.689 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.913 -4.307 2.482 1.00 0.00 C ATOM 0 H PHE A 143 -10.052 -8.403 4.046 1.00 0.00 H new ATOM 0 HA PHE A 143 -9.090 -9.361 1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.311 -8.833 3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -6.877 -8.928 2.099 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -7.230 -7.021 0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -8.267 -6.790 4.731 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -7.382 -4.576 0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -8.422 -4.344 4.557 1.00 0.00 H new ATOM 0 HZ PHE A 143 -7.982 -3.232 2.404 1.00 0.00 H new ATOM 2227 N PRO A 144 -9.120 -11.701 2.200 1.00 0.00 N ATOM 2228 CA PRO A 144 -9.115 -13.111 2.600 1.00 0.00 C ATOM 2229 C PRO A 144 -7.725 -13.597 2.994 1.00 0.00 C ATOM 2230 O PRO A 144 -6.780 -12.811 3.073 1.00 0.00 O ATOM 2231 CB PRO A 144 -9.600 -13.839 1.344 1.00 0.00 C ATOM 2232 CG PRO A 144 -9.240 -12.932 0.218 1.00 0.00 C ATOM 2233 CD PRO A 144 -9.363 -11.533 0.757 1.00 0.00 C ATOM 0 HA PRO A 144 -9.737 -13.287 3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -9.118 -14.811 1.239 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -10.675 -14.018 1.380 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -8.226 -13.128 -0.132 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -9.905 -13.082 -0.632 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -8.635 -10.862 0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -10.349 -11.112 0.562 1.00 0.00 H new