USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 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 104 ASN : amide:sc= -2.02! C(o=-1.9!,f=-3.1!) USER MOD Set 1.2: A 106 THR OG1 : rot -68:sc= 0.152 USER MOD Set 2.1: A 83 MET CE :methyl -155:sc= -2.01 (180deg=-0.368) USER MOD Set 2.2: A 111 SER OG : rot 76:sc= 0.608 USER MOD Set 3.1: A 78 ASN : amide:sc= 0.0443 K(o=1,f=-12!) USER MOD Set 3.2: A 81 LYS NZ :NH3+ 153:sc= 0.983 (180deg=-0.517) USER MOD Set 4.1: A 64 ASN : amide:sc= -5.14! C(o=-7!,f=-9.7!) USER MOD Set 4.2: A 66 SER OG : rot -148:sc= 1.02 USER MOD Set 4.3: A 68 GLN : amide:sc= -0.426 K(o=-7,f=-12!) USER MOD Set 4.4: A 71 HIS : no HD1:sc= -2.46 K(o=-7,f=-8.8!) USER MOD Set 5.1: A 52 MET CE :methyl -167:sc= -3.11 (180deg=-3.8) USER MOD Set 5.2: A 56 GLN :FLIP amide:sc= 0 F(o=-4.8,f=-3.1) USER MOD Set 6.1: A 43 LYS NZ :NH3+ -145:sc= 1.26 (180deg=0) USER MOD Set 6.2: A 72 GLN : amide:sc= 0.793 K(o=2.1,f=-12!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 69:sc= 1.27 USER MOD Single : A 30 THR OG1 : rot -140:sc= 0 USER MOD Single : A 33 SER OG : rot 27:sc= 0.081 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.79 F(o=-3!,f=-1.8) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -77:sc= 0.125 USER MOD Single : A 49 CYS SG : rot 159:sc= -1.18 USER MOD Single : A 50 THR OG1 : rot -2:sc= 0.285 USER MOD Single : A 53 ASN :FLIP amide:sc= 0.232 F(o=-1,f=0.23) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -81:sc= 0.154 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.403 K(o=-0.4,f=-4.6!) USER MOD Single : A 75 ASN : amide:sc= 0.0714 K(o=0.071,f=-7.5!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 15:sc= -0.244 USER MOD Single : A 88 MET CE :methyl -121:sc= -0.91 (180deg=-3.25!) USER MOD Single : A 89 ASN : amide:sc= -0.0305 K(o=-0.031,f=-1.1) USER MOD Single : A 97 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.7!) USER MOD Single : A 102 SER OG : rot -3:sc= 0.465 USER MOD Single : A 105 MET CE :methyl 162:sc= -1.49 (180deg=-2.56!) USER MOD Single : A 107 GLN : amide:sc= -5.78 K(o=-5.8,f=-14!) USER MOD Single : A 109 GLN : amide:sc= -1.67 X(o=-1.7,f=-2) USER MOD Single : A 118 LYS NZ :NH3+ -158:sc= -0.18 (180deg=-0.92) USER MOD ----------------------------------------------------------------- ATOM 196 N ASP A 15 5.535 -12.065 9.404 1.00 0.00 N ATOM 197 CA ASP A 15 6.741 -12.885 9.355 1.00 0.00 C ATOM 198 C ASP A 15 7.992 -12.011 9.359 1.00 0.00 C ATOM 199 O ASP A 15 8.066 -10.986 8.681 1.00 0.00 O ATOM 200 CB ASP A 15 6.729 -13.774 8.111 1.00 0.00 C ATOM 201 CG ASP A 15 7.471 -15.079 8.325 1.00 0.00 C ATOM 202 OD1 ASP A 15 6.868 -16.017 8.886 1.00 0.00 O ATOM 203 OD2 ASP A 15 8.653 -15.161 7.931 1.00 0.00 O ATOM 0 HA ASP A 15 6.758 -13.517 10.243 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.698 -13.988 7.831 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.181 -13.235 7.278 1.00 0.00 H new ATOM 208 N PRO A 16 8.999 -12.424 10.144 1.00 0.00 N ATOM 209 CA PRO A 16 10.265 -11.694 10.255 1.00 0.00 C ATOM 210 C PRO A 16 11.095 -11.772 8.980 1.00 0.00 C ATOM 211 O PRO A 16 12.084 -11.056 8.827 1.00 0.00 O ATOM 212 CB PRO A 16 10.983 -12.403 11.406 1.00 0.00 C ATOM 213 CG PRO A 16 10.411 -13.779 11.418 1.00 0.00 C ATOM 214 CD PRO A 16 8.980 -13.636 10.979 1.00 0.00 C ATOM 0 HA PRO A 16 10.107 -10.629 10.424 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.061 -12.424 11.247 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.810 -11.894 12.354 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.962 -14.437 10.745 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.472 -14.218 12.414 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.643 -14.507 10.416 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.308 -13.527 11.830 1.00 0.00 H new ATOM 222 N GLN A 17 10.686 -12.647 8.066 1.00 0.00 N ATOM 223 CA GLN A 17 11.393 -12.819 6.802 1.00 0.00 C ATOM 224 C GLN A 17 10.767 -11.962 5.707 1.00 0.00 C ATOM 225 O GLN A 17 11.471 -11.380 4.880 1.00 0.00 O ATOM 226 CB GLN A 17 11.384 -14.290 6.384 1.00 0.00 C ATOM 227 CG GLN A 17 12.246 -15.180 7.266 1.00 0.00 C ATOM 228 CD GLN A 17 12.428 -16.570 6.691 1.00 0.00 C ATOM 229 OE1 GLN A 17 13.481 -16.896 6.144 1.00 0.00 O ATOM 230 NE2 GLN A 17 11.398 -17.401 6.813 1.00 0.00 N ATOM 0 H GLN A 17 9.869 -13.247 8.177 1.00 0.00 H new ATOM 0 HA GLN A 17 12.424 -12.496 6.945 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.358 -14.658 6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.731 -14.368 5.354 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.223 -14.716 7.400 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.791 -15.256 8.254 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.543 -17.089 7.274 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.462 -18.350 6.446 1.00 0.00 H new ATOM 239 N LYS A 18 9.440 -11.889 5.705 1.00 0.00 N ATOM 240 CA LYS A 18 8.718 -11.103 4.712 1.00 0.00 C ATOM 241 C LYS A 18 9.042 -9.619 4.852 1.00 0.00 C ATOM 242 O LYS A 18 9.264 -8.927 3.859 1.00 0.00 O ATOM 243 CB LYS A 18 7.210 -11.323 4.857 1.00 0.00 C ATOM 244 CG LYS A 18 6.787 -12.769 4.675 1.00 0.00 C ATOM 245 CD LYS A 18 6.747 -13.159 3.206 1.00 0.00 C ATOM 246 CE LYS A 18 5.695 -14.225 2.940 1.00 0.00 C ATOM 247 NZ LYS A 18 5.761 -14.733 1.542 1.00 0.00 N ATOM 0 H LYS A 18 8.843 -12.365 6.381 1.00 0.00 H new ATOM 0 HA LYS A 18 9.034 -11.434 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.895 -10.982 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.689 -10.706 4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.480 -13.421 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.803 -12.920 5.119 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.535 -12.278 2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.726 -13.528 2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.834 -15.054 3.634 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.704 -13.813 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.028 -15.457 1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.603 -13.947 0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.698 -15.150 1.368 1.00 0.00 H new ATOM 261 N GLU A 19 9.069 -9.139 6.091 1.00 0.00 N ATOM 262 CA GLU A 19 9.367 -7.736 6.359 1.00 0.00 C ATOM 263 C GLU A 19 10.506 -7.242 5.470 1.00 0.00 C ATOM 264 O GLU A 19 10.527 -6.083 5.059 1.00 0.00 O ATOM 265 CB GLU A 19 9.735 -7.542 7.832 1.00 0.00 C ATOM 266 CG GLU A 19 10.242 -6.146 8.154 1.00 0.00 C ATOM 267 CD GLU A 19 11.704 -5.960 7.797 1.00 0.00 C ATOM 268 OE1 GLU A 19 12.468 -6.942 7.893 1.00 0.00 O ATOM 269 OE2 GLU A 19 12.082 -4.831 7.421 1.00 0.00 O ATOM 0 H GLU A 19 8.889 -9.699 6.924 1.00 0.00 H new ATOM 0 HA GLU A 19 8.474 -7.152 6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.860 -7.753 8.447 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.499 -8.269 8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.644 -5.412 7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.104 -5.949 9.217 1.00 0.00 H new ATOM 276 N ALA A 20 11.449 -8.131 5.180 1.00 0.00 N ATOM 277 CA ALA A 20 12.590 -7.787 4.340 1.00 0.00 C ATOM 278 C ALA A 20 12.217 -7.831 2.862 1.00 0.00 C ATOM 279 O ALA A 20 12.613 -6.963 2.086 1.00 0.00 O ATOM 280 CB ALA A 20 13.754 -8.725 4.619 1.00 0.00 C ATOM 0 H ALA A 20 11.446 -9.095 5.514 1.00 0.00 H new ATOM 0 HA ALA A 20 12.892 -6.768 4.582 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.598 -8.456 3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.046 -8.641 5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.453 -9.751 4.407 1.00 0.00 H new ATOM 286 N GLU A 21 11.452 -8.850 2.480 1.00 0.00 N ATOM 287 CA GLU A 21 11.026 -9.007 1.094 1.00 0.00 C ATOM 288 C GLU A 21 10.281 -7.767 0.610 1.00 0.00 C ATOM 289 O GLU A 21 10.515 -7.280 -0.497 1.00 0.00 O ATOM 290 CB GLU A 21 10.134 -10.241 0.947 1.00 0.00 C ATOM 291 CG GLU A 21 10.815 -11.537 1.357 1.00 0.00 C ATOM 292 CD GLU A 21 10.157 -12.759 0.747 1.00 0.00 C ATOM 293 OE1 GLU A 21 8.956 -12.978 1.008 1.00 0.00 O ATOM 294 OE2 GLU A 21 10.844 -13.498 0.011 1.00 0.00 O ATOM 0 H GLU A 21 11.115 -9.578 3.110 1.00 0.00 H new ATOM 0 HA GLU A 21 11.917 -9.137 0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.237 -10.105 1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.810 -10.323 -0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.862 -11.504 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.798 -11.624 2.443 1.00 0.00 H new ATOM 301 N LEU A 22 9.382 -7.260 1.446 1.00 0.00 N ATOM 302 CA LEU A 22 8.600 -6.077 1.105 1.00 0.00 C ATOM 303 C LEU A 22 9.508 -4.875 0.868 1.00 0.00 C ATOM 304 O LEU A 22 9.621 -4.380 -0.254 1.00 0.00 O ATOM 305 CB LEU A 22 7.600 -5.763 2.218 1.00 0.00 C ATOM 306 CG LEU A 22 6.547 -6.838 2.497 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.773 -6.509 3.764 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.604 -6.980 1.313 1.00 0.00 C ATOM 0 H LEU A 22 9.176 -7.650 2.366 1.00 0.00 H new ATOM 0 HA LEU A 22 8.055 -6.285 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.156 -5.580 3.138 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.086 -4.836 1.966 1.00 0.00 H new ATOM 0 HG LEU A 22 7.056 -7.790 2.645 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.029 -7.284 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.461 -6.460 4.608 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.274 -5.547 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.862 -7.749 1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.101 -6.030 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.172 -7.263 0.427 1.00 0.00 H new ATOM 320 N ARG A 23 10.155 -4.410 1.931 1.00 0.00 N ATOM 321 CA ARG A 23 11.055 -3.265 1.839 1.00 0.00 C ATOM 322 C ARG A 23 12.003 -3.414 0.652 1.00 0.00 C ATOM 323 O ARG A 23 12.320 -2.439 -0.029 1.00 0.00 O ATOM 324 CB ARG A 23 11.858 -3.116 3.132 1.00 0.00 C ATOM 325 CG ARG A 23 12.723 -4.323 3.456 1.00 0.00 C ATOM 326 CD ARG A 23 13.822 -3.972 4.446 1.00 0.00 C ATOM 327 NE ARG A 23 14.932 -4.919 4.390 1.00 0.00 N ATOM 328 CZ ARG A 23 16.148 -4.653 4.855 1.00 0.00 C ATOM 329 NH1 ARG A 23 16.408 -3.476 5.408 1.00 0.00 N ATOM 330 NH2 ARG A 23 17.108 -5.566 4.767 1.00 0.00 N ATOM 0 H ARG A 23 10.073 -4.808 2.867 1.00 0.00 H new ATOM 0 HA ARG A 23 10.451 -2.370 1.690 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.494 -2.234 3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.170 -2.941 3.959 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.101 -5.117 3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.168 -4.710 2.539 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.191 -2.968 4.237 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.410 -3.956 5.455 1.00 0.00 H new ATOM 0 HE ARG A 23 14.765 -5.834 3.971 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.673 -2.772 5.477 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.343 -3.275 5.764 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.912 -6.472 4.342 1.00 0.00 H new ATOM 0 HH22 ARG A 23 18.041 -5.361 5.124 1.00 0.00 H new ATOM 344 N THR A 24 12.455 -4.642 0.413 1.00 0.00 N ATOM 345 CA THR A 24 13.368 -4.918 -0.689 1.00 0.00 C ATOM 346 C THR A 24 12.663 -4.785 -2.035 1.00 0.00 C ATOM 347 O THR A 24 13.285 -4.445 -3.041 1.00 0.00 O ATOM 348 CB THR A 24 13.972 -6.331 -0.577 1.00 0.00 C ATOM 349 OG1 THR A 24 14.750 -6.437 0.621 1.00 0.00 O ATOM 350 CG2 THR A 24 14.844 -6.643 -1.783 1.00 0.00 C ATOM 0 H THR A 24 12.203 -5.460 0.968 1.00 0.00 H new ATOM 0 HA THR A 24 14.169 -4.181 -0.627 1.00 0.00 H new ATOM 0 HB THR A 24 13.154 -7.051 -0.544 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.156 -6.417 1.400 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.260 -7.646 -1.682 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.243 -6.589 -2.690 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.656 -5.918 -1.842 1.00 0.00 H new ATOM 358 N TRP A 25 11.362 -5.054 -2.044 1.00 0.00 N ATOM 359 CA TRP A 25 10.573 -4.963 -3.267 1.00 0.00 C ATOM 360 C TRP A 25 10.120 -3.529 -3.517 1.00 0.00 C ATOM 361 O TRP A 25 9.999 -3.098 -4.664 1.00 0.00 O ATOM 362 CB TRP A 25 9.357 -5.888 -3.184 1.00 0.00 C ATOM 363 CG TRP A 25 8.233 -5.473 -4.084 1.00 0.00 C ATOM 364 CD1 TRP A 25 8.192 -5.574 -5.445 1.00 0.00 C ATOM 365 CD2 TRP A 25 6.988 -4.889 -3.686 1.00 0.00 C ATOM 366 NE1 TRP A 25 6.996 -5.089 -5.917 1.00 0.00 N ATOM 367 CE2 TRP A 25 6.239 -4.663 -4.858 1.00 0.00 C ATOM 368 CE3 TRP A 25 6.430 -4.538 -2.453 1.00 0.00 C ATOM 369 CZ2 TRP A 25 4.966 -4.101 -4.831 1.00 0.00 C ATOM 370 CZ3 TRP A 25 5.167 -3.980 -2.428 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.445 -3.767 -3.610 1.00 0.00 C ATOM 0 H TRP A 25 10.832 -5.336 -1.219 1.00 0.00 H new ATOM 0 HA TRP A 25 11.203 -5.276 -4.100 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.663 -6.902 -3.440 1.00 0.00 H new ATOM 0 HB3 TRP A 25 8.999 -5.914 -2.155 1.00 0.00 H new ATOM 0 HD1 TRP A 25 8.983 -5.976 -6.060 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.717 -5.052 -6.897 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.977 -4.700 -1.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.409 -3.934 -5.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.728 -3.703 -1.481 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.458 -3.331 -3.557 1.00 0.00 H new ATOM 382 N ILE A 26 9.872 -2.795 -2.438 1.00 0.00 N ATOM 383 CA ILE A 26 9.433 -1.409 -2.542 1.00 0.00 C ATOM 384 C ILE A 26 10.613 -0.476 -2.795 1.00 0.00 C ATOM 385 O ILE A 26 10.603 0.311 -3.741 1.00 0.00 O ATOM 386 CB ILE A 26 8.697 -0.954 -1.268 1.00 0.00 C ATOM 387 CG1 ILE A 26 7.573 -1.933 -0.925 1.00 0.00 C ATOM 388 CG2 ILE A 26 8.145 0.453 -1.449 1.00 0.00 C ATOM 389 CD1 ILE A 26 6.983 -1.718 0.451 1.00 0.00 C ATOM 0 H ILE A 26 9.968 -3.137 -1.482 1.00 0.00 H new ATOM 0 HA ILE A 26 8.745 -1.359 -3.386 1.00 0.00 H new ATOM 0 HB ILE A 26 9.407 -0.941 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.782 -1.840 -1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.956 -2.951 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.628 0.761 -0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.965 1.142 -1.651 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.447 0.465 -2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.192 -2.447 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.762 -1.840 1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.569 -0.712 0.516 1.00 0.00 H new ATOM 401 N GLU A 27 11.629 -0.573 -1.942 1.00 0.00 N ATOM 402 CA GLU A 27 12.817 0.263 -2.074 1.00 0.00 C ATOM 403 C GLU A 27 13.290 0.312 -3.525 1.00 0.00 C ATOM 404 O GLU A 27 13.657 1.370 -4.033 1.00 0.00 O ATOM 405 CB GLU A 27 13.940 -0.265 -1.178 1.00 0.00 C ATOM 406 CG GLU A 27 13.837 0.200 0.264 1.00 0.00 C ATOM 407 CD GLU A 27 15.109 -0.053 1.051 1.00 0.00 C ATOM 408 OE1 GLU A 27 16.204 0.080 0.466 1.00 0.00 O ATOM 409 OE2 GLU A 27 15.009 -0.385 2.250 1.00 0.00 O ATOM 0 H GLU A 27 11.653 -1.221 -1.154 1.00 0.00 H new ATOM 0 HA GLU A 27 12.556 1.274 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.930 -1.355 -1.201 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.899 0.054 -1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.608 1.266 0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.006 -0.313 0.749 1.00 0.00 H new ATOM 416 N GLY A 28 13.275 -0.842 -4.185 1.00 0.00 N ATOM 417 CA GLY A 28 13.704 -0.910 -5.570 1.00 0.00 C ATOM 418 C GLY A 28 12.684 -0.320 -6.522 1.00 0.00 C ATOM 419 O GLY A 28 13.040 0.208 -7.576 1.00 0.00 O ATOM 0 H GLY A 28 12.974 -1.731 -3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.650 -0.379 -5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.889 -1.950 -5.839 1.00 0.00 H new ATOM 423 N LEU A 29 11.411 -0.409 -6.153 1.00 0.00 N ATOM 424 CA LEU A 29 10.334 0.120 -6.983 1.00 0.00 C ATOM 425 C LEU A 29 10.414 1.640 -7.075 1.00 0.00 C ATOM 426 O LEU A 29 10.588 2.199 -8.158 1.00 0.00 O ATOM 427 CB LEU A 29 8.976 -0.299 -6.418 1.00 0.00 C ATOM 428 CG LEU A 29 8.398 -1.608 -6.959 1.00 0.00 C ATOM 429 CD1 LEU A 29 7.420 -2.210 -5.963 1.00 0.00 C ATOM 430 CD2 LEU A 29 7.721 -1.377 -8.302 1.00 0.00 C ATOM 0 H LEU A 29 11.099 -0.843 -5.284 1.00 0.00 H new ATOM 0 HA LEU A 29 10.445 -0.292 -7.986 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.067 -0.385 -5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.261 0.500 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 29 9.217 -2.313 -7.104 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.019 -3.141 -6.364 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.935 -2.412 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.604 -1.510 -5.786 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.316 -2.319 -8.672 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.912 -0.656 -8.183 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.449 -0.991 -9.015 1.00 0.00 H new ATOM 442 N THR A 30 10.285 2.304 -5.931 1.00 0.00 N ATOM 443 CA THR A 30 10.343 3.759 -5.882 1.00 0.00 C ATOM 444 C THR A 30 11.786 4.253 -5.881 1.00 0.00 C ATOM 445 O THR A 30 12.077 5.351 -6.353 1.00 0.00 O ATOM 446 CB THR A 30 9.625 4.308 -4.635 1.00 0.00 C ATOM 447 OG1 THR A 30 10.318 3.900 -3.450 1.00 0.00 O ATOM 448 CG2 THR A 30 8.185 3.819 -4.580 1.00 0.00 C ATOM 0 H THR A 30 10.140 1.857 -5.026 1.00 0.00 H new ATOM 0 HA THR A 30 9.837 4.125 -6.775 1.00 0.00 H new ATOM 0 HB THR A 30 9.621 5.396 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.668 3.659 -2.757 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.698 4.220 -3.691 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.652 4.157 -5.469 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.172 2.730 -4.541 1.00 0.00 H new ATOM 456 N GLY A 31 12.687 3.434 -5.348 1.00 0.00 N ATOM 457 CA GLY A 31 14.088 3.804 -5.296 1.00 0.00 C ATOM 458 C GLY A 31 14.405 4.712 -4.125 1.00 0.00 C ATOM 459 O GLY A 31 15.374 5.473 -4.164 1.00 0.00 O ATOM 0 H GLY A 31 12.471 2.520 -4.951 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.696 2.902 -5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.363 4.304 -6.225 1.00 0.00 H new ATOM 463 N LEU A 32 13.589 4.636 -3.080 1.00 0.00 N ATOM 464 CA LEU A 32 13.785 5.459 -1.892 1.00 0.00 C ATOM 465 C LEU A 32 14.274 4.615 -0.719 1.00 0.00 C ATOM 466 O LEU A 32 14.346 3.389 -0.812 1.00 0.00 O ATOM 467 CB LEU A 32 12.483 6.168 -1.517 1.00 0.00 C ATOM 468 CG LEU A 32 11.886 7.085 -2.586 1.00 0.00 C ATOM 469 CD1 LEU A 32 10.445 7.433 -2.247 1.00 0.00 C ATOM 470 CD2 LEU A 32 12.721 8.349 -2.730 1.00 0.00 C ATOM 0 H LEU A 32 12.784 4.012 -3.031 1.00 0.00 H new ATOM 0 HA LEU A 32 14.545 6.206 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.742 5.411 -1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.660 6.758 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 32 11.896 6.555 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.037 8.086 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.853 6.519 -2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.411 7.943 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.282 8.990 -3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.743 8.881 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.737 8.083 -3.020 1.00 0.00 H new ATOM 482 N SER A 33 14.605 5.278 0.383 1.00 0.00 N ATOM 483 CA SER A 33 15.088 4.589 1.574 1.00 0.00 C ATOM 484 C SER A 33 14.064 4.672 2.702 1.00 0.00 C ATOM 485 O SER A 33 13.602 5.756 3.056 1.00 0.00 O ATOM 486 CB SER A 33 16.418 5.190 2.033 1.00 0.00 C ATOM 487 OG SER A 33 16.320 6.596 2.178 1.00 0.00 O ATOM 0 H SER A 33 14.548 6.292 0.477 1.00 0.00 H new ATOM 0 HA SER A 33 15.240 3.540 1.320 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.714 4.743 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.198 4.949 1.310 1.00 0.00 H new ATOM 0 HG SER A 33 15.393 6.840 2.381 1.00 0.00 H new ATOM 493 N ILE A 34 13.716 3.518 3.261 1.00 0.00 N ATOM 494 CA ILE A 34 12.748 3.459 4.350 1.00 0.00 C ATOM 495 C ILE A 34 13.381 3.877 5.673 1.00 0.00 C ATOM 496 O ILE A 34 12.745 4.529 6.499 1.00 0.00 O ATOM 497 CB ILE A 34 12.157 2.045 4.501 1.00 0.00 C ATOM 498 CG1 ILE A 34 11.389 1.652 3.238 1.00 0.00 C ATOM 499 CG2 ILE A 34 11.250 1.978 5.721 1.00 0.00 C ATOM 500 CD1 ILE A 34 11.397 0.164 2.964 1.00 0.00 C ATOM 0 H ILE A 34 14.089 2.612 2.978 1.00 0.00 H new ATOM 0 HA ILE A 34 11.947 4.154 4.098 1.00 0.00 H new ATOM 0 HB ILE A 34 12.975 1.338 4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.357 1.991 3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.821 2.173 2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.840 0.973 5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.824 2.220 6.615 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.435 2.693 5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.834 -0.041 2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.425 -0.178 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.938 -0.363 3.801 1.00 0.00 H new ATOM 512 N GLY A 35 14.642 3.498 5.865 1.00 0.00 N ATOM 513 CA GLY A 35 15.342 3.844 7.088 1.00 0.00 C ATOM 514 C GLY A 35 15.598 2.639 7.971 1.00 0.00 C ATOM 515 O GLY A 35 15.282 1.503 7.613 1.00 0.00 O ATOM 0 H GLY A 35 15.190 2.958 5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.292 4.316 6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.758 4.579 7.642 1.00 0.00 H new ATOM 519 N PRO A 36 16.187 2.879 9.151 1.00 0.00 N ATOM 520 CA PRO A 36 16.501 1.816 10.111 1.00 0.00 C ATOM 521 C PRO A 36 15.249 1.221 10.745 1.00 0.00 C ATOM 522 O PRO A 36 15.333 0.313 11.573 1.00 0.00 O ATOM 523 CB PRO A 36 17.349 2.529 11.166 1.00 0.00 C ATOM 524 CG PRO A 36 16.933 3.958 11.083 1.00 0.00 C ATOM 525 CD PRO A 36 16.593 4.207 9.640 1.00 0.00 C ATOM 0 HA PRO A 36 17.007 0.975 9.637 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.169 2.121 12.161 1.00 0.00 H new ATOM 0 HB3 PRO A 36 18.414 2.414 10.962 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.074 4.152 11.725 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.735 4.618 11.414 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.789 4.936 9.537 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.448 4.595 9.087 1.00 0.00 H new ATOM 533 N ASP A 37 14.090 1.736 10.353 1.00 0.00 N ATOM 534 CA ASP A 37 12.820 1.254 10.882 1.00 0.00 C ATOM 535 C ASP A 37 11.745 1.248 9.799 1.00 0.00 C ATOM 536 O ASP A 37 11.640 2.187 9.010 1.00 0.00 O ATOM 537 CB ASP A 37 12.370 2.123 12.059 1.00 0.00 C ATOM 538 CG ASP A 37 11.305 1.451 12.902 1.00 0.00 C ATOM 539 OD1 ASP A 37 10.212 1.176 12.367 1.00 0.00 O ATOM 540 OD2 ASP A 37 11.566 1.200 14.098 1.00 0.00 O ATOM 0 H ASP A 37 14.003 2.488 9.670 1.00 0.00 H new ATOM 0 HA ASP A 37 12.966 0.231 11.229 1.00 0.00 H new ATOM 0 HB2 ASP A 37 13.231 2.356 12.685 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.986 3.070 11.681 1.00 0.00 H new ATOM 545 N PHE A 38 10.951 0.183 9.766 1.00 0.00 N ATOM 546 CA PHE A 38 9.887 0.054 8.778 1.00 0.00 C ATOM 547 C PHE A 38 8.677 0.897 9.168 1.00 0.00 C ATOM 548 O PHE A 38 8.321 1.848 8.472 1.00 0.00 O ATOM 549 CB PHE A 38 9.473 -1.412 8.632 1.00 0.00 C ATOM 550 CG PHE A 38 8.801 -1.718 7.324 1.00 0.00 C ATOM 551 CD1 PHE A 38 9.504 -1.638 6.133 1.00 0.00 C ATOM 552 CD2 PHE A 38 7.465 -2.085 7.286 1.00 0.00 C ATOM 553 CE1 PHE A 38 8.886 -1.918 4.928 1.00 0.00 C ATOM 554 CE2 PHE A 38 6.842 -2.366 6.084 1.00 0.00 C ATOM 555 CZ PHE A 38 7.555 -2.283 4.904 1.00 0.00 C ATOM 0 H PHE A 38 11.024 -0.603 10.412 1.00 0.00 H new ATOM 0 HA PHE A 38 10.268 0.415 7.823 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.356 -2.042 8.734 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.799 -1.674 9.448 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.546 -1.354 6.146 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.904 -2.152 8.206 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.445 -1.851 4.006 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.800 -2.650 6.068 1.00 0.00 H new ATOM 0 HZ PHE A 38 7.072 -2.503 3.964 1.00 0.00 H new ATOM 565 N GLN A 39 8.051 0.543 10.285 1.00 0.00 N ATOM 566 CA GLN A 39 6.881 1.268 10.767 1.00 0.00 C ATOM 567 C GLN A 39 7.075 2.774 10.624 1.00 0.00 C ATOM 568 O GLN A 39 6.196 3.480 10.129 1.00 0.00 O ATOM 569 CB GLN A 39 6.603 0.914 12.229 1.00 0.00 C ATOM 570 CG GLN A 39 5.335 1.548 12.778 1.00 0.00 C ATOM 571 CD GLN A 39 5.584 2.907 13.403 1.00 0.00 C ATOM 572 OE1 GLN A 39 5.007 3.946 12.814 1.00 0.00 O flip ATOM 573 NE2 GLN A 39 6.289 3.020 14.408 1.00 0.00 N flip ATOM 0 H GLN A 39 8.334 -0.241 10.873 1.00 0.00 H new ATOM 0 HA GLN A 39 6.026 0.972 10.159 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.528 -0.169 12.324 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.450 1.230 12.838 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.607 1.651 11.973 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.895 0.885 13.523 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.714 2.193 14.829 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.448 3.940 14.819 1.00 0.00 H new ATOM 582 N LYS A 40 8.232 3.260 11.060 1.00 0.00 N ATOM 583 CA LYS A 40 8.544 4.682 10.981 1.00 0.00 C ATOM 584 C LYS A 40 8.758 5.111 9.533 1.00 0.00 C ATOM 585 O LYS A 40 8.069 5.998 9.030 1.00 0.00 O ATOM 586 CB LYS A 40 9.791 4.999 11.808 1.00 0.00 C ATOM 587 CG LYS A 40 9.697 4.540 13.252 1.00 0.00 C ATOM 588 CD LYS A 40 10.985 4.817 14.011 1.00 0.00 C ATOM 589 CE LYS A 40 10.816 4.572 15.503 1.00 0.00 C ATOM 590 NZ LYS A 40 11.725 5.430 16.311 1.00 0.00 N ATOM 0 H LYS A 40 8.970 2.689 11.472 1.00 0.00 H new ATOM 0 HA LYS A 40 7.698 5.237 11.385 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.656 4.527 11.341 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.966 6.075 11.788 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.868 5.049 13.743 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.479 3.473 13.282 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.781 4.180 13.624 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.293 5.849 13.843 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.782 4.768 15.789 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.015 3.523 15.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.580 5.234 17.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.712 5.225 16.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.519 6.431 16.120 1.00 0.00 H new ATOM 604 N GLY A 41 9.716 4.475 8.867 1.00 0.00 N ATOM 605 CA GLY A 41 10.002 4.804 7.482 1.00 0.00 C ATOM 606 C GLY A 41 8.744 5.007 6.663 1.00 0.00 C ATOM 607 O GLY A 41 8.729 5.797 5.718 1.00 0.00 O ATOM 0 H GLY A 41 10.300 3.737 9.261 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.606 5.710 7.444 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.596 4.006 7.037 1.00 0.00 H new ATOM 611 N LEU A 42 7.683 4.292 7.023 1.00 0.00 N ATOM 612 CA LEU A 42 6.413 4.395 6.313 1.00 0.00 C ATOM 613 C LEU A 42 5.430 5.273 7.081 1.00 0.00 C ATOM 614 O LEU A 42 4.564 5.918 6.490 1.00 0.00 O ATOM 615 CB LEU A 42 5.812 3.005 6.097 1.00 0.00 C ATOM 616 CG LEU A 42 6.754 1.950 5.515 1.00 0.00 C ATOM 617 CD1 LEU A 42 6.029 0.624 5.348 1.00 0.00 C ATOM 618 CD2 LEU A 42 7.324 2.421 4.185 1.00 0.00 C ATOM 0 H LEU A 42 7.678 3.635 7.803 1.00 0.00 H new ATOM 0 HA LEU A 42 6.603 4.856 5.344 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.437 2.641 7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.953 3.102 5.434 1.00 0.00 H new ATOM 0 HG LEU A 42 7.581 1.804 6.210 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.714 -0.115 4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.670 0.281 6.318 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.183 0.754 4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.992 1.658 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.510 2.595 3.482 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.879 3.347 4.335 1.00 0.00 H new ATOM 630 N LYS A 43 5.571 5.296 8.401 1.00 0.00 N ATOM 631 CA LYS A 43 4.699 6.097 9.252 1.00 0.00 C ATOM 632 C LYS A 43 4.334 7.412 8.572 1.00 0.00 C ATOM 633 O LYS A 43 3.202 7.599 8.128 1.00 0.00 O ATOM 634 CB LYS A 43 5.378 6.377 10.594 1.00 0.00 C ATOM 635 CG LYS A 43 4.761 7.535 11.358 1.00 0.00 C ATOM 636 CD LYS A 43 5.594 7.910 12.573 1.00 0.00 C ATOM 637 CE LYS A 43 5.234 9.294 13.090 1.00 0.00 C ATOM 638 NZ LYS A 43 6.059 10.356 12.451 1.00 0.00 N ATOM 0 H LYS A 43 6.283 4.768 8.906 1.00 0.00 H new ATOM 0 HA LYS A 43 3.784 5.531 9.426 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.330 5.479 11.210 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.433 6.588 10.421 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.668 8.398 10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.753 7.267 11.676 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.440 7.174 13.362 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.652 7.882 12.313 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.179 9.490 12.899 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.374 9.326 14.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.252 11.109 13.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.958 9.948 12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.544 10.754 11.640 1.00 0.00 H new ATOM 652 N ASP A 44 5.301 8.319 8.491 1.00 0.00 N ATOM 653 CA ASP A 44 5.082 9.616 7.860 1.00 0.00 C ATOM 654 C ASP A 44 4.232 9.474 6.602 1.00 0.00 C ATOM 655 O ASP A 44 3.474 10.374 6.247 1.00 0.00 O ATOM 656 CB ASP A 44 6.420 10.272 7.516 1.00 0.00 C ATOM 657 CG ASP A 44 7.422 9.282 6.954 1.00 0.00 C ATOM 658 OD1 ASP A 44 7.089 8.596 5.965 1.00 0.00 O ATOM 659 OD2 ASP A 44 8.540 9.194 7.504 1.00 0.00 O ATOM 0 H ASP A 44 6.244 8.181 8.854 1.00 0.00 H new ATOM 0 HA ASP A 44 4.547 10.250 8.567 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.255 11.069 6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.835 10.736 8.411 1.00 0.00 H new ATOM 664 N GLY A 45 4.365 8.333 5.931 1.00 0.00 N ATOM 665 CA GLY A 45 3.604 8.093 4.719 1.00 0.00 C ATOM 666 C GLY A 45 4.181 8.817 3.519 1.00 0.00 C ATOM 667 O GLY A 45 3.445 9.394 2.718 1.00 0.00 O ATOM 0 H GLY A 45 4.986 7.572 6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.579 7.022 4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.573 8.413 4.872 1.00 0.00 H new ATOM 671 N THR A 46 5.504 8.790 3.393 1.00 0.00 N ATOM 672 CA THR A 46 6.181 9.451 2.284 1.00 0.00 C ATOM 673 C THR A 46 6.443 8.477 1.141 1.00 0.00 C ATOM 674 O THR A 46 6.164 8.780 -0.020 1.00 0.00 O ATOM 675 CB THR A 46 7.518 10.072 2.732 1.00 0.00 C ATOM 676 OG1 THR A 46 8.400 9.047 3.204 1.00 0.00 O ATOM 677 CG2 THR A 46 7.297 11.103 3.827 1.00 0.00 C ATOM 0 H THR A 46 6.129 8.317 4.046 1.00 0.00 H new ATOM 0 HA THR A 46 5.519 10.244 1.937 1.00 0.00 H new ATOM 0 HB THR A 46 7.968 10.570 1.873 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.128 8.770 4.104 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.255 11.527 4.126 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.650 11.897 3.454 1.00 0.00 H new ATOM 0 HG23 THR A 46 6.827 10.626 4.687 1.00 0.00 H new ATOM 685 N ILE A 47 6.979 7.309 1.476 1.00 0.00 N ATOM 686 CA ILE A 47 7.276 6.291 0.475 1.00 0.00 C ATOM 687 C ILE A 47 6.013 5.545 0.057 1.00 0.00 C ATOM 688 O ILE A 47 5.688 5.468 -1.128 1.00 0.00 O ATOM 689 CB ILE A 47 8.309 5.274 0.998 1.00 0.00 C ATOM 690 CG1 ILE A 47 9.653 5.961 1.245 1.00 0.00 C ATOM 691 CG2 ILE A 47 8.467 4.127 0.011 1.00 0.00 C ATOM 692 CD1 ILE A 47 10.458 5.331 2.360 1.00 0.00 C ATOM 0 H ILE A 47 7.217 7.044 2.432 1.00 0.00 H new ATOM 0 HA ILE A 47 7.691 6.809 -0.389 1.00 0.00 H new ATOM 0 HB ILE A 47 7.952 4.867 1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.239 5.936 0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.477 7.010 1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.200 3.416 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.508 3.625 -0.120 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.806 4.517 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.398 5.869 2.479 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.892 5.380 3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.665 4.289 2.115 1.00 0.00 H new ATOM 704 N LEU A 48 5.300 5.002 1.038 1.00 0.00 N ATOM 705 CA LEU A 48 4.070 4.264 0.773 1.00 0.00 C ATOM 706 C LEU A 48 3.334 4.848 -0.429 1.00 0.00 C ATOM 707 O LEU A 48 2.786 4.113 -1.251 1.00 0.00 O ATOM 708 CB LEU A 48 3.162 4.289 2.004 1.00 0.00 C ATOM 709 CG LEU A 48 3.533 3.325 3.130 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.515 3.404 4.257 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.637 1.901 2.602 1.00 0.00 C ATOM 0 H LEU A 48 5.553 5.059 2.025 1.00 0.00 H new ATOM 0 HA LEU A 48 4.336 3.231 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.157 5.302 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.144 4.068 1.684 1.00 0.00 H new ATOM 0 HG LEU A 48 4.506 3.616 3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.795 2.711 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.490 4.419 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.529 3.139 3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.902 1.229 3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.679 1.599 2.179 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.405 1.854 1.830 1.00 0.00 H new ATOM 723 N CYS A 49 3.327 6.173 -0.525 1.00 0.00 N ATOM 724 CA CYS A 49 2.660 6.856 -1.627 1.00 0.00 C ATOM 725 C CYS A 49 3.353 6.556 -2.952 1.00 0.00 C ATOM 726 O CYS A 49 2.750 5.997 -3.870 1.00 0.00 O ATOM 727 CB CYS A 49 2.636 8.365 -1.380 1.00 0.00 C ATOM 728 SG CYS A 49 1.348 8.905 -0.232 1.00 0.00 S ATOM 0 H CYS A 49 3.776 6.795 0.147 1.00 0.00 H new ATOM 0 HA CYS A 49 1.635 6.488 -1.682 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.606 8.674 -0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.496 8.876 -2.333 1.00 0.00 H new ATOM 0 HG CYS A 49 1.663 10.067 0.259 1.00 0.00 H new ATOM 734 N THR A 50 4.624 6.934 -3.048 1.00 0.00 N ATOM 735 CA THR A 50 5.399 6.709 -4.262 1.00 0.00 C ATOM 736 C THR A 50 5.254 5.271 -4.748 1.00 0.00 C ATOM 737 O THR A 50 5.068 5.024 -5.941 1.00 0.00 O ATOM 738 CB THR A 50 6.892 7.014 -4.040 1.00 0.00 C ATOM 739 OG1 THR A 50 7.355 6.361 -2.853 1.00 0.00 O ATOM 740 CG2 THR A 50 7.127 8.513 -3.923 1.00 0.00 C ATOM 0 H THR A 50 5.139 7.398 -2.299 1.00 0.00 H new ATOM 0 HA THR A 50 5.005 7.388 -5.018 1.00 0.00 H new ATOM 0 HB THR A 50 7.447 6.640 -4.900 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.608 5.894 -2.424 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.189 8.704 -3.767 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.801 9.005 -4.839 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.560 8.905 -3.079 1.00 0.00 H new ATOM 748 N LEU A 51 5.337 4.326 -3.819 1.00 0.00 N ATOM 749 CA LEU A 51 5.213 2.912 -4.153 1.00 0.00 C ATOM 750 C LEU A 51 4.027 2.673 -5.082 1.00 0.00 C ATOM 751 O LEU A 51 4.159 2.024 -6.118 1.00 0.00 O ATOM 752 CB LEU A 51 5.056 2.079 -2.880 1.00 0.00 C ATOM 753 CG LEU A 51 4.586 0.636 -3.076 1.00 0.00 C ATOM 754 CD1 LEU A 51 5.599 -0.148 -3.896 1.00 0.00 C ATOM 755 CD2 LEU A 51 4.352 -0.036 -1.730 1.00 0.00 C ATOM 0 H LEU A 51 5.490 4.513 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 51 6.122 2.605 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.014 2.061 -2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.348 2.585 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 51 3.642 0.652 -3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.248 -1.172 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.718 0.321 -4.873 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.558 -0.156 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.018 -1.061 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.281 -0.041 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.589 0.512 -1.177 1.00 0.00 H new ATOM 767 N MET A 52 2.869 3.204 -4.702 1.00 0.00 N ATOM 768 CA MET A 52 1.660 3.052 -5.503 1.00 0.00 C ATOM 769 C MET A 52 1.815 3.736 -6.856 1.00 0.00 C ATOM 770 O MET A 52 1.596 3.124 -7.901 1.00 0.00 O ATOM 771 CB MET A 52 0.454 3.630 -4.759 1.00 0.00 C ATOM 772 CG MET A 52 -0.883 3.214 -5.353 1.00 0.00 C ATOM 773 SD MET A 52 -1.244 1.467 -5.094 1.00 0.00 S ATOM 774 CE MET A 52 -1.997 1.041 -6.662 1.00 0.00 C ATOM 0 H MET A 52 2.743 3.743 -3.845 1.00 0.00 H new ATOM 0 HA MET A 52 1.497 1.988 -5.672 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.494 3.313 -3.717 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.522 4.718 -4.764 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.676 3.815 -4.908 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.883 3.427 -6.422 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.481 0.068 -6.581 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.739 1.794 -6.926 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.230 1.001 -7.435 1.00 0.00 H new ATOM 784 N ASN A 53 2.192 5.011 -6.830 1.00 0.00 N ATOM 785 CA ASN A 53 2.375 5.779 -8.056 1.00 0.00 C ATOM 786 C ASN A 53 3.125 4.961 -9.104 1.00 0.00 C ATOM 787 O ASN A 53 2.948 5.160 -10.305 1.00 0.00 O ATOM 788 CB ASN A 53 3.136 7.074 -7.763 1.00 0.00 C ATOM 789 CG ASN A 53 2.219 8.191 -7.302 1.00 0.00 C ATOM 790 OD1 ASN A 53 2.636 8.908 -6.265 1.00 0.00 O flip ATOM 791 ND2 ASN A 53 1.150 8.407 -7.872 1.00 0.00 N flip ATOM 0 H ASN A 53 2.376 5.533 -5.974 1.00 0.00 H new ATOM 0 HA ASN A 53 1.389 6.026 -8.451 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.888 6.885 -6.997 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.668 7.391 -8.660 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.869 7.831 -8.665 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.544 9.163 -7.551 1.00 0.00 H new ATOM 798 N LYS A 54 3.963 4.041 -8.640 1.00 0.00 N ATOM 799 CA LYS A 54 4.740 3.191 -9.534 1.00 0.00 C ATOM 800 C LYS A 54 3.882 2.058 -10.088 1.00 0.00 C ATOM 801 O LYS A 54 3.980 1.710 -11.265 1.00 0.00 O ATOM 802 CB LYS A 54 5.952 2.616 -8.800 1.00 0.00 C ATOM 803 CG LYS A 54 6.893 3.676 -8.255 1.00 0.00 C ATOM 804 CD LYS A 54 7.683 4.346 -9.367 1.00 0.00 C ATOM 805 CE LYS A 54 8.286 5.664 -8.906 1.00 0.00 C ATOM 806 NZ LYS A 54 9.208 6.238 -9.924 1.00 0.00 N ATOM 0 H LYS A 54 4.122 3.865 -7.648 1.00 0.00 H new ATOM 0 HA LYS A 54 5.086 3.803 -10.367 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.605 1.992 -7.976 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.504 1.967 -9.480 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.320 4.427 -7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.581 3.221 -7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.477 3.679 -9.703 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.031 4.522 -10.223 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.487 6.376 -8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.827 5.509 -7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.598 7.136 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.984 5.570 -10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.686 6.410 -10.807 1.00 0.00 H new ATOM 820 N LEU A 55 3.041 1.485 -9.233 1.00 0.00 N ATOM 821 CA LEU A 55 2.165 0.392 -9.637 1.00 0.00 C ATOM 822 C LEU A 55 0.969 0.915 -10.427 1.00 0.00 C ATOM 823 O LEU A 55 0.728 0.493 -11.557 1.00 0.00 O ATOM 824 CB LEU A 55 1.681 -0.381 -8.409 1.00 0.00 C ATOM 825 CG LEU A 55 2.756 -0.768 -7.393 1.00 0.00 C ATOM 826 CD1 LEU A 55 2.143 -1.546 -6.238 1.00 0.00 C ATOM 827 CD2 LEU A 55 3.853 -1.582 -8.064 1.00 0.00 C ATOM 0 H LEU A 55 2.948 1.760 -8.255 1.00 0.00 H new ATOM 0 HA LEU A 55 2.736 -0.279 -10.279 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.928 0.220 -7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.186 -1.291 -8.749 1.00 0.00 H new ATOM 0 HG LEU A 55 3.199 0.145 -6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.923 -1.813 -5.525 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.393 -0.930 -5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.674 -2.453 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.610 -1.849 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.424 -2.489 -8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.311 -0.991 -8.857 1.00 0.00 H new ATOM 839 N GLN A 56 0.227 1.838 -9.824 1.00 0.00 N ATOM 840 CA GLN A 56 -0.943 2.420 -10.472 1.00 0.00 C ATOM 841 C GLN A 56 -0.623 3.803 -11.030 1.00 0.00 C ATOM 842 O GLN A 56 -0.339 4.747 -10.292 1.00 0.00 O ATOM 843 CB GLN A 56 -2.107 2.512 -9.484 1.00 0.00 C ATOM 844 CG GLN A 56 -3.294 3.300 -10.014 1.00 0.00 C ATOM 845 CD GLN A 56 -4.612 2.833 -9.432 1.00 0.00 C ATOM 846 OE1 GLN A 56 -4.787 3.027 -8.130 1.00 0.00 O flip ATOM 847 NE2 GLN A 56 -5.465 2.301 -10.143 1.00 0.00 N flip ATOM 0 H GLN A 56 0.415 2.199 -8.889 1.00 0.00 H new ATOM 0 HA GLN A 56 -1.230 1.771 -11.300 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.435 1.505 -9.228 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.755 2.977 -8.563 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.155 4.357 -9.786 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.329 3.210 -11.100 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.290 2.171 -11.139 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.347 1.990 -9.736 1.00 0.00 H new ATOM 856 N PRO A 57 -0.672 3.929 -12.365 1.00 0.00 N ATOM 857 CA PRO A 57 -0.391 5.193 -13.052 1.00 0.00 C ATOM 858 C PRO A 57 -1.480 6.234 -12.816 1.00 0.00 C ATOM 859 O PRO A 57 -2.346 6.443 -13.663 1.00 0.00 O ATOM 860 CB PRO A 57 -0.345 4.792 -14.528 1.00 0.00 C ATOM 861 CG PRO A 57 -1.187 3.566 -14.614 1.00 0.00 C ATOM 862 CD PRO A 57 -1.004 2.847 -13.306 1.00 0.00 C ATOM 0 HA PRO A 57 0.528 5.657 -12.694 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.735 5.585 -15.166 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.677 4.594 -14.853 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.234 3.822 -14.776 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.879 2.939 -15.451 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.910 2.319 -13.008 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.207 2.106 -13.363 1.00 0.00 H new ATOM 870 N GLY A 58 -1.428 6.887 -11.659 1.00 0.00 N ATOM 871 CA GLY A 58 -2.414 7.900 -11.333 1.00 0.00 C ATOM 872 C GLY A 58 -3.086 7.647 -9.998 1.00 0.00 C ATOM 873 O GLY A 58 -4.275 7.919 -9.833 1.00 0.00 O ATOM 0 H GLY A 58 -0.720 6.732 -10.941 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.933 8.878 -11.315 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.171 7.932 -12.117 1.00 0.00 H new ATOM 877 N SER A 59 -2.323 7.123 -9.044 1.00 0.00 N ATOM 878 CA SER A 59 -2.853 6.827 -7.718 1.00 0.00 C ATOM 879 C SER A 59 -2.780 8.056 -6.817 1.00 0.00 C ATOM 880 O SER A 59 -3.792 8.701 -6.543 1.00 0.00 O ATOM 881 CB SER A 59 -2.082 5.668 -7.084 1.00 0.00 C ATOM 882 OG SER A 59 -0.738 5.646 -7.530 1.00 0.00 O ATOM 0 H SER A 59 -1.336 6.895 -9.164 1.00 0.00 H new ATOM 0 HA SER A 59 -3.899 6.540 -7.827 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.107 5.761 -5.998 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.567 4.724 -7.334 1.00 0.00 H new ATOM 0 HG SER A 59 -0.692 5.214 -8.409 1.00 0.00 H new ATOM 888 N VAL A 60 -1.573 8.375 -6.359 1.00 0.00 N ATOM 889 CA VAL A 60 -1.365 9.527 -5.490 1.00 0.00 C ATOM 890 C VAL A 60 -0.832 10.719 -6.277 1.00 0.00 C ATOM 891 O VAL A 60 0.215 10.652 -6.919 1.00 0.00 O ATOM 892 CB VAL A 60 -0.384 9.199 -4.349 1.00 0.00 C ATOM 893 CG1 VAL A 60 -0.311 10.351 -3.359 1.00 0.00 C ATOM 894 CG2 VAL A 60 -0.792 7.910 -3.651 1.00 0.00 C ATOM 0 H VAL A 60 -0.725 7.852 -6.576 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.335 9.781 -5.063 1.00 0.00 H new ATOM 0 HB VAL A 60 0.609 9.056 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.387 10.101 -2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.031 11.250 -3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.299 10.529 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.088 7.693 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.794 8.022 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.787 7.090 -4.369 1.00 0.00 H new ATOM 904 N PRO A 61 -1.569 11.838 -6.225 1.00 0.00 N ATOM 905 CA PRO A 61 -1.190 13.070 -6.926 1.00 0.00 C ATOM 906 C PRO A 61 0.038 13.732 -6.310 1.00 0.00 C ATOM 907 O PRO A 61 0.991 14.072 -7.013 1.00 0.00 O ATOM 908 CB PRO A 61 -2.420 13.965 -6.761 1.00 0.00 C ATOM 909 CG PRO A 61 -3.084 13.471 -5.522 1.00 0.00 C ATOM 910 CD PRO A 61 -2.829 11.990 -5.478 1.00 0.00 C ATOM 0 HA PRO A 61 -0.920 12.882 -7.965 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.137 15.013 -6.667 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.083 13.889 -7.623 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.678 13.963 -4.639 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.153 13.683 -5.541 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.735 11.629 -4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.641 11.429 -5.941 1.00 0.00 H new ATOM 918 N LYS A 62 0.011 13.912 -4.994 1.00 0.00 N ATOM 919 CA LYS A 62 1.122 14.532 -4.283 1.00 0.00 C ATOM 920 C LYS A 62 1.284 13.926 -2.892 1.00 0.00 C ATOM 921 O LYS A 62 0.385 13.250 -2.392 1.00 0.00 O ATOM 922 CB LYS A 62 0.903 16.043 -4.171 1.00 0.00 C ATOM 923 CG LYS A 62 2.189 16.832 -3.998 1.00 0.00 C ATOM 924 CD LYS A 62 2.006 18.289 -4.390 1.00 0.00 C ATOM 925 CE LYS A 62 2.142 18.482 -5.893 1.00 0.00 C ATOM 926 NZ LYS A 62 2.578 19.864 -6.237 1.00 0.00 N ATOM 0 H LYS A 62 -0.769 13.637 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 62 2.034 14.344 -4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.388 16.394 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.246 16.245 -3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.517 16.772 -2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.975 16.386 -4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.024 18.634 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.746 18.901 -3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.862 17.765 -6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.187 18.272 -6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.659 19.956 -7.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.878 20.547 -5.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.502 20.056 -5.799 1.00 0.00 H new ATOM 940 N ILE A 63 2.433 14.175 -2.274 1.00 0.00 N ATOM 941 CA ILE A 63 2.710 13.657 -0.940 1.00 0.00 C ATOM 942 C ILE A 63 3.041 14.784 0.030 1.00 0.00 C ATOM 943 O ILE A 63 3.790 15.703 -0.301 1.00 0.00 O ATOM 944 CB ILE A 63 3.876 12.651 -0.959 1.00 0.00 C ATOM 945 CG1 ILE A 63 3.523 11.441 -1.826 1.00 0.00 C ATOM 946 CG2 ILE A 63 4.220 12.212 0.457 1.00 0.00 C ATOM 947 CD1 ILE A 63 4.730 10.732 -2.397 1.00 0.00 C ATOM 0 H ILE A 63 3.187 14.732 -2.675 1.00 0.00 H new ATOM 0 HA ILE A 63 1.806 13.148 -0.605 1.00 0.00 H new ATOM 0 HB ILE A 63 4.750 13.140 -1.390 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.945 10.734 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.882 11.766 -2.645 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.046 11.501 0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.511 13.081 1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.350 11.739 0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.403 9.885 -3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.297 11.424 -3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.361 10.375 -1.583 1.00 0.00 H new ATOM 959 N ASN A 64 2.479 14.708 1.233 1.00 0.00 N ATOM 960 CA ASN A 64 2.716 15.723 2.253 1.00 0.00 C ATOM 961 C ASN A 64 4.207 15.868 2.540 1.00 0.00 C ATOM 962 O ASN A 64 4.792 16.927 2.314 1.00 0.00 O ATOM 963 CB ASN A 64 1.970 15.364 3.540 1.00 0.00 C ATOM 964 CG ASN A 64 0.572 15.953 3.582 1.00 0.00 C ATOM 965 OD1 ASN A 64 0.402 17.172 3.611 1.00 0.00 O ATOM 966 ND2 ASN A 64 -0.435 15.088 3.585 1.00 0.00 N ATOM 0 H ASN A 64 1.857 13.954 1.525 1.00 0.00 H new ATOM 0 HA ASN A 64 2.343 16.676 1.877 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.907 14.280 3.630 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.538 15.723 4.398 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.397 15.426 3.612 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.247 14.086 3.560 1.00 0.00 H new ATOM 973 N ARG A 65 4.815 14.796 3.038 1.00 0.00 N ATOM 974 CA ARG A 65 6.238 14.804 3.356 1.00 0.00 C ATOM 975 C ARG A 65 6.578 15.958 4.297 1.00 0.00 C ATOM 976 O ARG A 65 7.715 16.428 4.333 1.00 0.00 O ATOM 977 CB ARG A 65 7.068 14.915 2.076 1.00 0.00 C ATOM 978 CG ARG A 65 6.821 13.784 1.091 1.00 0.00 C ATOM 979 CD ARG A 65 8.061 13.487 0.262 1.00 0.00 C ATOM 980 NE ARG A 65 9.212 13.159 1.098 1.00 0.00 N ATOM 981 CZ ARG A 65 10.394 12.796 0.612 1.00 0.00 C ATOM 982 NH1 ARG A 65 10.579 12.715 -0.698 1.00 0.00 N ATOM 983 NH2 ARG A 65 11.394 12.514 1.437 1.00 0.00 N ATOM 0 H ARG A 65 4.345 13.911 3.230 1.00 0.00 H new ATOM 0 HA ARG A 65 6.478 13.866 3.856 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.845 15.865 1.589 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.126 14.932 2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.521 12.887 1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.995 14.049 0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.855 12.657 -0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.298 14.351 -0.358 1.00 0.00 H new ATOM 0 HE ARG A 65 9.103 13.211 2.111 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.813 12.932 -1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.487 12.436 -1.068 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.256 12.576 2.446 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.301 12.235 1.063 1.00 0.00 H new ATOM 997 N SER A 66 5.584 16.406 5.057 1.00 0.00 N ATOM 998 CA SER A 66 5.777 17.507 5.994 1.00 0.00 C ATOM 999 C SER A 66 5.774 17.001 7.434 1.00 0.00 C ATOM 1000 O SER A 66 5.358 15.875 7.706 1.00 0.00 O ATOM 1001 CB SER A 66 4.683 18.560 5.809 1.00 0.00 C ATOM 1002 OG SER A 66 5.160 19.854 6.134 1.00 0.00 O ATOM 0 H SER A 66 4.638 16.024 5.043 1.00 0.00 H new ATOM 0 HA SER A 66 6.746 17.961 5.788 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.332 18.547 4.777 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.828 18.315 6.439 1.00 0.00 H new ATOM 0 HG SER A 66 4.425 20.393 6.494 1.00 0.00 H new ATOM 1008 N MET A 67 6.241 17.842 8.351 1.00 0.00 N ATOM 1009 CA MET A 67 6.290 17.481 9.763 1.00 0.00 C ATOM 1010 C MET A 67 4.887 17.407 10.355 1.00 0.00 C ATOM 1011 O MET A 67 4.631 16.625 11.270 1.00 0.00 O ATOM 1012 CB MET A 67 7.132 18.495 10.541 1.00 0.00 C ATOM 1013 CG MET A 67 7.021 18.345 12.050 1.00 0.00 C ATOM 1014 SD MET A 67 8.184 19.398 12.939 1.00 0.00 S ATOM 1015 CE MET A 67 9.457 18.212 13.365 1.00 0.00 C ATOM 0 H MET A 67 6.591 18.777 8.142 1.00 0.00 H new ATOM 0 HA MET A 67 6.751 16.497 9.845 1.00 0.00 H new ATOM 0 HB2 MET A 67 8.177 18.388 10.249 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.824 19.502 10.260 1.00 0.00 H new ATOM 0 HG2 MET A 67 6.005 18.588 12.362 1.00 0.00 H new ATOM 0 HG3 MET A 67 7.198 17.304 12.322 1.00 0.00 H new ATOM 0 HE1 MET A 67 10.250 18.713 13.920 1.00 0.00 H new ATOM 0 HE2 MET A 67 9.027 17.422 13.980 1.00 0.00 H new ATOM 0 HE3 MET A 67 9.870 17.779 12.454 1.00 0.00 H new ATOM 1025 N GLN A 68 3.982 18.224 9.826 1.00 0.00 N ATOM 1026 CA GLN A 68 2.605 18.250 10.304 1.00 0.00 C ATOM 1027 C GLN A 68 2.054 16.835 10.455 1.00 0.00 C ATOM 1028 O GLN A 68 2.016 16.068 9.494 1.00 0.00 O ATOM 1029 CB GLN A 68 1.725 19.053 9.345 1.00 0.00 C ATOM 1030 CG GLN A 68 1.971 20.552 9.404 1.00 0.00 C ATOM 1031 CD GLN A 68 3.160 20.982 8.568 1.00 0.00 C ATOM 1032 OE1 GLN A 68 3.038 21.208 7.363 1.00 0.00 O ATOM 1033 NE2 GLN A 68 4.320 21.099 9.204 1.00 0.00 N ATOM 0 H GLN A 68 4.178 18.876 9.067 1.00 0.00 H new ATOM 0 HA GLN A 68 2.596 18.730 11.283 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.899 18.704 8.327 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.678 18.856 9.575 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.080 21.076 9.058 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.134 20.849 10.440 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.376 20.902 10.203 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.155 21.386 8.693 1.00 0.00 H new ATOM 1042 N ASN A 69 1.628 16.498 11.668 1.00 0.00 N ATOM 1043 CA ASN A 69 1.080 15.175 11.944 1.00 0.00 C ATOM 1044 C ASN A 69 -0.098 14.871 11.023 1.00 0.00 C ATOM 1045 O ASN A 69 -0.092 13.873 10.302 1.00 0.00 O ATOM 1046 CB ASN A 69 0.636 15.080 13.405 1.00 0.00 C ATOM 1047 CG ASN A 69 1.772 15.351 14.374 1.00 0.00 C ATOM 1048 OD1 ASN A 69 2.762 15.991 14.021 1.00 0.00 O ATOM 1049 ND2 ASN A 69 1.633 14.862 15.601 1.00 0.00 N ATOM 0 H ASN A 69 1.652 17.122 12.475 1.00 0.00 H new ATOM 0 HA ASN A 69 1.862 14.439 11.759 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.169 15.793 13.584 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.230 14.086 13.595 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.365 15.011 16.295 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.794 14.337 15.849 1.00 0.00 H new ATOM 1056 N TRP A 70 -1.104 15.737 11.052 1.00 0.00 N ATOM 1057 CA TRP A 70 -2.288 15.561 10.219 1.00 0.00 C ATOM 1058 C TRP A 70 -1.899 15.319 8.765 1.00 0.00 C ATOM 1059 O TRP A 70 -2.557 14.559 8.055 1.00 0.00 O ATOM 1060 CB TRP A 70 -3.195 16.788 10.321 1.00 0.00 C ATOM 1061 CG TRP A 70 -2.445 18.085 10.294 1.00 0.00 C ATOM 1062 CD1 TRP A 70 -2.148 18.838 9.194 1.00 0.00 C ATOM 1063 CD2 TRP A 70 -1.895 18.781 11.419 1.00 0.00 C ATOM 1064 NE1 TRP A 70 -1.447 19.959 9.567 1.00 0.00 N ATOM 1065 CE2 TRP A 70 -1.280 19.947 10.926 1.00 0.00 C ATOM 1066 CE3 TRP A 70 -1.865 18.532 12.793 1.00 0.00 C ATOM 1067 CZ2 TRP A 70 -0.641 20.861 11.761 1.00 0.00 C ATOM 1068 CZ3 TRP A 70 -1.231 19.439 13.621 1.00 0.00 C ATOM 1069 CH2 TRP A 70 -0.626 20.593 13.103 1.00 0.00 C ATOM 0 H TRP A 70 -1.124 16.568 11.643 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.830 14.687 10.580 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.909 16.772 9.498 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.771 16.729 11.244 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.424 18.589 8.180 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.106 20.683 8.934 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -2.329 17.646 13.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.174 21.750 11.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.201 19.256 14.685 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.139 21.283 13.776 1.00 0.00 H new ATOM 1080 N HIS A 71 -0.827 15.972 8.327 1.00 0.00 N ATOM 1081 CA HIS A 71 -0.350 15.827 6.956 1.00 0.00 C ATOM 1082 C HIS A 71 0.130 14.402 6.696 1.00 0.00 C ATOM 1083 O HIS A 71 -0.182 13.812 5.662 1.00 0.00 O ATOM 1084 CB HIS A 71 0.781 16.818 6.679 1.00 0.00 C ATOM 1085 CG HIS A 71 0.301 18.165 6.235 1.00 0.00 C ATOM 1086 ND1 HIS A 71 1.124 19.268 6.157 1.00 0.00 N ATOM 1087 CD2 HIS A 71 -0.925 18.583 5.841 1.00 0.00 C ATOM 1088 CE1 HIS A 71 0.424 20.308 5.735 1.00 0.00 C ATOM 1089 NE2 HIS A 71 -0.822 19.917 5.537 1.00 0.00 N ATOM 0 H HIS A 71 -0.272 16.607 8.901 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.181 16.040 6.284 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.380 16.934 7.582 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.436 16.404 5.913 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.818 17.979 5.778 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.806 21.306 5.579 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.584 20.511 5.211 1.00 0.00 H new ATOM 1098 N GLN A 72 0.891 13.859 7.639 1.00 0.00 N ATOM 1099 CA GLN A 72 1.416 12.504 7.511 1.00 0.00 C ATOM 1100 C GLN A 72 0.283 11.491 7.385 1.00 0.00 C ATOM 1101 O GLN A 72 0.403 10.494 6.671 1.00 0.00 O ATOM 1102 CB GLN A 72 2.295 12.158 8.713 1.00 0.00 C ATOM 1103 CG GLN A 72 3.668 12.810 8.673 1.00 0.00 C ATOM 1104 CD GLN A 72 4.383 12.746 10.007 1.00 0.00 C ATOM 1105 OE1 GLN A 72 4.637 11.665 10.538 1.00 0.00 O ATOM 1106 NE2 GLN A 72 4.714 13.910 10.557 1.00 0.00 N ATOM 0 H GLN A 72 1.158 14.336 8.500 1.00 0.00 H new ATOM 0 HA GLN A 72 2.020 12.460 6.605 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.784 12.464 9.626 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.417 11.076 8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.277 12.319 7.915 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.563 13.852 8.371 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.484 14.783 10.082 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.198 13.931 11.454 1.00 0.00 H new ATOM 1115 N LEU A 73 -0.817 11.751 8.083 1.00 0.00 N ATOM 1116 CA LEU A 73 -1.973 10.862 8.050 1.00 0.00 C ATOM 1117 C LEU A 73 -2.594 10.827 6.657 1.00 0.00 C ATOM 1118 O LEU A 73 -2.738 9.762 6.058 1.00 0.00 O ATOM 1119 CB LEU A 73 -3.016 11.311 9.075 1.00 0.00 C ATOM 1120 CG LEU A 73 -2.878 10.718 10.477 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -3.120 9.216 10.447 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -1.505 11.027 11.055 1.00 0.00 C ATOM 0 H LEU A 73 -0.933 12.571 8.679 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.635 9.857 8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.973 12.397 9.156 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.005 11.059 8.692 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.631 11.175 11.119 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.018 8.811 11.454 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.125 9.017 10.076 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.390 8.743 9.790 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.425 10.597 12.053 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.735 10.599 10.413 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.369 12.107 11.113 1.00 0.00 H new ATOM 1134 N GLU A 74 -2.956 12.000 6.147 1.00 0.00 N ATOM 1135 CA GLU A 74 -3.560 12.103 4.824 1.00 0.00 C ATOM 1136 C GLU A 74 -2.855 11.183 3.831 1.00 0.00 C ATOM 1137 O GLU A 74 -3.497 10.529 3.010 1.00 0.00 O ATOM 1138 CB GLU A 74 -3.506 13.548 4.325 1.00 0.00 C ATOM 1139 CG GLU A 74 -4.562 13.872 3.281 1.00 0.00 C ATOM 1140 CD GLU A 74 -5.973 13.722 3.813 1.00 0.00 C ATOM 1141 OE1 GLU A 74 -6.298 14.377 4.825 1.00 0.00 O ATOM 1142 OE2 GLU A 74 -6.753 12.950 3.218 1.00 0.00 O ATOM 0 H GLU A 74 -2.842 12.891 6.629 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.602 11.793 4.903 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.628 14.221 5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.519 13.741 3.904 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.417 14.893 2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.430 13.216 2.421 1.00 0.00 H new ATOM 1149 N ASN A 75 -1.529 11.139 3.914 1.00 0.00 N ATOM 1150 CA ASN A 75 -0.735 10.301 3.021 1.00 0.00 C ATOM 1151 C ASN A 75 -1.281 8.877 2.985 1.00 0.00 C ATOM 1152 O ASN A 75 -1.678 8.380 1.930 1.00 0.00 O ATOM 1153 CB ASN A 75 0.728 10.287 3.469 1.00 0.00 C ATOM 1154 CG ASN A 75 1.434 11.597 3.177 1.00 0.00 C ATOM 1155 OD1 ASN A 75 1.006 12.368 2.319 1.00 0.00 O ATOM 1156 ND2 ASN A 75 2.523 11.854 3.893 1.00 0.00 N ATOM 0 H ASN A 75 -0.982 11.673 4.589 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.797 10.721 2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.776 10.082 4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.252 9.475 2.965 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.040 12.720 3.741 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.842 11.185 4.594 1.00 0.00 H new ATOM 1163 N LEU A 76 -1.298 8.226 4.142 1.00 0.00 N ATOM 1164 CA LEU A 76 -1.796 6.858 4.244 1.00 0.00 C ATOM 1165 C LEU A 76 -3.207 6.750 3.676 1.00 0.00 C ATOM 1166 O LEU A 76 -3.486 5.893 2.837 1.00 0.00 O ATOM 1167 CB LEU A 76 -1.783 6.396 5.702 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.403 6.208 6.334 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.536 5.786 7.789 1.00 0.00 C ATOM 1170 CD2 LEU A 76 0.408 5.187 5.551 1.00 0.00 C ATOM 0 H LEU A 76 -0.973 8.623 5.024 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.139 6.213 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.337 7.122 6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.322 5.451 5.768 1.00 0.00 H new ATOM 0 HG LEU A 76 0.124 7.162 6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.456 5.657 8.222 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.077 6.554 8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.082 4.845 7.846 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.387 5.066 6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.114 4.230 5.551 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.533 5.532 4.525 1.00 0.00 H new ATOM 1182 N SER A 77 -4.095 7.624 4.139 1.00 0.00 N ATOM 1183 CA SER A 77 -5.478 7.625 3.679 1.00 0.00 C ATOM 1184 C SER A 77 -5.544 7.630 2.155 1.00 0.00 C ATOM 1185 O SER A 77 -6.455 7.055 1.560 1.00 0.00 O ATOM 1186 CB SER A 77 -6.223 8.840 4.236 1.00 0.00 C ATOM 1187 OG SER A 77 -6.338 8.764 5.647 1.00 0.00 O ATOM 0 H SER A 77 -3.881 8.341 4.833 1.00 0.00 H new ATOM 0 HA SER A 77 -5.956 6.716 4.044 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.695 9.753 3.959 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.216 8.898 3.789 1.00 0.00 H new ATOM 0 HG SER A 77 -6.816 9.552 5.979 1.00 0.00 H new ATOM 1193 N ASN A 78 -4.570 8.284 1.529 1.00 0.00 N ATOM 1194 CA ASN A 78 -4.518 8.365 0.073 1.00 0.00 C ATOM 1195 C ASN A 78 -4.072 7.037 -0.530 1.00 0.00 C ATOM 1196 O ASN A 78 -4.736 6.488 -1.410 1.00 0.00 O ATOM 1197 CB ASN A 78 -3.564 9.481 -0.361 1.00 0.00 C ATOM 1198 CG ASN A 78 -4.251 10.831 -0.437 1.00 0.00 C ATOM 1199 OD1 ASN A 78 -5.252 10.992 -1.136 1.00 0.00 O ATOM 1200 ND2 ASN A 78 -3.714 11.809 0.283 1.00 0.00 N ATOM 0 H ASN A 78 -3.807 8.765 2.006 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.521 8.590 -0.290 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.733 9.538 0.342 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.142 9.236 -1.335 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.132 12.739 0.271 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.884 11.630 0.848 1.00 0.00 H new ATOM 1207 N PHE A 79 -2.944 6.524 -0.049 1.00 0.00 N ATOM 1208 CA PHE A 79 -2.408 5.259 -0.540 1.00 0.00 C ATOM 1209 C PHE A 79 -3.453 4.151 -0.441 1.00 0.00 C ATOM 1210 O PHE A 79 -3.563 3.306 -1.329 1.00 0.00 O ATOM 1211 CB PHE A 79 -1.158 4.869 0.249 1.00 0.00 C ATOM 1212 CG PHE A 79 -0.742 3.441 0.046 1.00 0.00 C ATOM 1213 CD1 PHE A 79 -0.655 2.905 -1.229 1.00 0.00 C ATOM 1214 CD2 PHE A 79 -0.437 2.633 1.130 1.00 0.00 C ATOM 1215 CE1 PHE A 79 -0.273 1.590 -1.419 1.00 0.00 C ATOM 1216 CE2 PHE A 79 -0.054 1.317 0.946 1.00 0.00 C ATOM 1217 CZ PHE A 79 0.030 0.796 -0.330 1.00 0.00 C ATOM 0 H PHE A 79 -2.383 6.965 0.680 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.140 5.389 -1.589 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.336 5.523 -0.042 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.340 5.038 1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.888 3.522 -2.084 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.499 3.036 2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.212 1.184 -2.418 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.179 0.697 1.799 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.332 -0.231 -0.476 1.00 0.00 H new ATOM 1227 N ILE A 80 -4.216 4.161 0.647 1.00 0.00 N ATOM 1228 CA ILE A 80 -5.251 3.159 0.863 1.00 0.00 C ATOM 1229 C ILE A 80 -6.313 3.219 -0.230 1.00 0.00 C ATOM 1230 O ILE A 80 -6.444 2.296 -1.034 1.00 0.00 O ATOM 1231 CB ILE A 80 -5.932 3.339 2.233 1.00 0.00 C ATOM 1232 CG1 ILE A 80 -4.916 3.146 3.361 1.00 0.00 C ATOM 1233 CG2 ILE A 80 -7.088 2.360 2.383 1.00 0.00 C ATOM 1234 CD1 ILE A 80 -5.271 3.892 4.628 1.00 0.00 C ATOM 0 H ILE A 80 -4.136 4.853 1.393 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.758 2.187 0.835 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.328 4.352 2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.833 2.083 3.586 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.936 3.476 3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.559 2.500 3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.821 2.539 1.596 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.713 1.340 2.304 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.507 3.709 5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.326 4.960 4.418 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.236 3.545 4.996 1.00 0.00 H new ATOM 1246 N LYS A 81 -7.066 4.313 -0.256 1.00 0.00 N ATOM 1247 CA LYS A 81 -8.114 4.498 -1.253 1.00 0.00 C ATOM 1248 C LYS A 81 -7.599 4.173 -2.651 1.00 0.00 C ATOM 1249 O LYS A 81 -8.366 3.787 -3.532 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.637 5.935 -1.212 1.00 0.00 C ATOM 1251 CG LYS A 81 -7.635 6.962 -1.707 1.00 0.00 C ATOM 1252 CD LYS A 81 -8.327 8.192 -2.269 1.00 0.00 C ATOM 1253 CE LYS A 81 -7.486 9.445 -2.073 1.00 0.00 C ATOM 1254 NZ LYS A 81 -7.625 9.995 -0.697 1.00 0.00 N ATOM 0 H LYS A 81 -6.970 5.086 0.403 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.929 3.814 -1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.541 6.001 -1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.920 6.180 -0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.979 7.255 -0.888 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.005 6.515 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.523 8.047 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -9.293 8.321 -1.782 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.439 9.214 -2.268 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.786 10.201 -2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -6.763 10.518 -0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.443 10.637 -0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.767 9.215 -0.024 1.00 0.00 H new ATOM 1268 N ALA A 82 -6.293 4.331 -2.847 1.00 0.00 N ATOM 1269 CA ALA A 82 -5.675 4.051 -4.137 1.00 0.00 C ATOM 1270 C ALA A 82 -5.600 2.550 -4.395 1.00 0.00 C ATOM 1271 O ALA A 82 -5.728 2.100 -5.534 1.00 0.00 O ATOM 1272 CB ALA A 82 -4.286 4.670 -4.202 1.00 0.00 C ATOM 0 H ALA A 82 -5.644 4.651 -2.129 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.296 4.496 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.836 4.453 -5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.362 5.749 -4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.664 4.251 -3.411 1.00 0.00 H new ATOM 1278 N MET A 83 -5.390 1.781 -3.332 1.00 0.00 N ATOM 1279 CA MET A 83 -5.298 0.329 -3.445 1.00 0.00 C ATOM 1280 C MET A 83 -6.627 -0.265 -3.902 1.00 0.00 C ATOM 1281 O MET A 83 -6.662 -1.135 -4.773 1.00 0.00 O ATOM 1282 CB MET A 83 -4.885 -0.283 -2.106 1.00 0.00 C ATOM 1283 CG MET A 83 -3.416 -0.083 -1.773 1.00 0.00 C ATOM 1284 SD MET A 83 -2.803 -1.289 -0.581 1.00 0.00 S ATOM 1285 CE MET A 83 -3.253 -0.497 0.962 1.00 0.00 C ATOM 0 H MET A 83 -5.280 2.138 -2.383 1.00 0.00 H new ATOM 0 HA MET A 83 -4.539 0.094 -4.192 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.492 0.155 -1.313 1.00 0.00 H new ATOM 0 HB3 MET A 83 -5.103 -1.351 -2.121 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.828 -0.151 -2.688 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.271 0.921 -1.375 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.593 -0.846 1.756 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.155 0.584 0.858 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.284 -0.746 1.211 1.00 0.00 H new ATOM 1295 N VAL A 84 -7.718 0.209 -3.308 1.00 0.00 N ATOM 1296 CA VAL A 84 -9.048 -0.275 -3.655 1.00 0.00 C ATOM 1297 C VAL A 84 -9.257 -0.275 -5.165 1.00 0.00 C ATOM 1298 O VAL A 84 -9.792 -1.230 -5.728 1.00 0.00 O ATOM 1299 CB VAL A 84 -10.146 0.579 -2.995 1.00 0.00 C ATOM 1300 CG1 VAL A 84 -11.516 0.201 -3.537 1.00 0.00 C ATOM 1301 CG2 VAL A 84 -10.102 0.429 -1.482 1.00 0.00 C ATOM 0 H VAL A 84 -7.706 0.928 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.120 -1.297 -3.282 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.962 1.625 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.279 0.815 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.540 0.367 -4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.713 -0.850 -3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.885 1.040 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.259 -0.616 -1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.130 0.756 -1.112 1.00 0.00 H new ATOM 1311 N SER A 85 -8.833 0.804 -5.815 1.00 0.00 N ATOM 1312 CA SER A 85 -8.977 0.930 -7.261 1.00 0.00 C ATOM 1313 C SER A 85 -8.119 -0.104 -7.984 1.00 0.00 C ATOM 1314 O SER A 85 -8.505 -0.622 -9.033 1.00 0.00 O ATOM 1315 CB SER A 85 -8.585 2.339 -7.711 1.00 0.00 C ATOM 1316 OG SER A 85 -9.055 2.603 -9.022 1.00 0.00 O ATOM 0 H SER A 85 -8.387 1.603 -5.364 1.00 0.00 H new ATOM 0 HA SER A 85 -10.022 0.751 -7.515 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.997 3.073 -7.019 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.501 2.446 -7.681 1.00 0.00 H new ATOM 0 HG SER A 85 -8.794 3.510 -9.287 1.00 0.00 H new ATOM 1322 N TYR A 86 -6.955 -0.399 -7.418 1.00 0.00 N ATOM 1323 CA TYR A 86 -6.041 -1.369 -8.010 1.00 0.00 C ATOM 1324 C TYR A 86 -6.732 -2.712 -8.217 1.00 0.00 C ATOM 1325 O TYR A 86 -6.579 -3.348 -9.259 1.00 0.00 O ATOM 1326 CB TYR A 86 -4.809 -1.548 -7.119 1.00 0.00 C ATOM 1327 CG TYR A 86 -3.556 -1.905 -7.886 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -3.091 -1.092 -8.914 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -2.836 -3.054 -7.584 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -1.947 -1.414 -9.617 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -1.690 -3.383 -8.282 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.249 -2.560 -9.297 1.00 0.00 C ATOM 1333 OH TYR A 86 -0.108 -2.884 -9.995 1.00 0.00 O ATOM 0 H TYR A 86 -6.621 0.019 -6.550 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.727 -0.989 -8.982 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.635 -0.626 -6.564 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.011 -2.329 -6.386 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.634 -0.193 -9.167 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.178 -3.701 -6.790 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.600 -0.772 -10.413 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.142 -4.280 -8.034 1.00 0.00 H new ATOM 0 HH TYR A 86 0.198 -2.104 -10.503 1.00 0.00 H new ATOM 1343 N GLY A 87 -7.496 -3.139 -7.217 1.00 0.00 N ATOM 1344 CA GLY A 87 -8.201 -4.404 -7.308 1.00 0.00 C ATOM 1345 C GLY A 87 -7.888 -5.327 -6.146 1.00 0.00 C ATOM 1346 O GLY A 87 -7.811 -6.544 -6.316 1.00 0.00 O ATOM 0 H GLY A 87 -7.640 -2.631 -6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.274 -4.217 -7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.935 -4.898 -8.242 1.00 0.00 H new ATOM 1350 N MET A 88 -7.708 -4.749 -4.964 1.00 0.00 N ATOM 1351 CA MET A 88 -7.403 -5.528 -3.771 1.00 0.00 C ATOM 1352 C MET A 88 -8.666 -5.802 -2.962 1.00 0.00 C ATOM 1353 O MET A 88 -9.720 -5.228 -3.226 1.00 0.00 O ATOM 1354 CB MET A 88 -6.377 -4.793 -2.905 1.00 0.00 C ATOM 1355 CG MET A 88 -5.009 -4.670 -3.554 1.00 0.00 C ATOM 1356 SD MET A 88 -3.932 -6.065 -3.173 1.00 0.00 S ATOM 1357 CE MET A 88 -3.544 -5.736 -1.456 1.00 0.00 C ATOM 0 H MET A 88 -7.768 -3.743 -4.807 1.00 0.00 H new ATOM 0 HA MET A 88 -6.983 -6.483 -4.088 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.753 -3.795 -2.679 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.273 -5.318 -1.955 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.129 -4.593 -4.635 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.534 -3.747 -3.220 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.465 -5.632 -1.340 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.033 -4.814 -1.143 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.897 -6.562 -0.838 1.00 0.00 H new ATOM 1367 N ASN A 89 -8.551 -6.686 -1.975 1.00 0.00 N ATOM 1368 CA ASN A 89 -9.685 -7.037 -1.128 1.00 0.00 C ATOM 1369 C ASN A 89 -9.977 -5.928 -0.121 1.00 0.00 C ATOM 1370 O ASN A 89 -9.112 -5.118 0.215 1.00 0.00 O ATOM 1371 CB ASN A 89 -9.412 -8.351 -0.393 1.00 0.00 C ATOM 1372 CG ASN A 89 -9.845 -9.563 -1.194 1.00 0.00 C ATOM 1373 OD1 ASN A 89 -10.100 -9.468 -2.395 1.00 0.00 O ATOM 1374 ND2 ASN A 89 -9.929 -10.711 -0.532 1.00 0.00 N ATOM 0 H ASN A 89 -7.685 -7.172 -1.743 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.559 -7.161 -1.767 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.347 -8.426 -0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -9.936 -8.345 0.563 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -10.214 -11.561 -1.019 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.708 -10.743 0.463 1.00 0.00 H new ATOM 1381 N PRO A 90 -11.223 -5.890 0.373 1.00 0.00 N ATOM 1382 CA PRO A 90 -11.657 -4.887 1.350 1.00 0.00 C ATOM 1383 C PRO A 90 -11.015 -5.094 2.718 1.00 0.00 C ATOM 1384 O PRO A 90 -11.055 -4.209 3.573 1.00 0.00 O ATOM 1385 CB PRO A 90 -13.170 -5.102 1.431 1.00 0.00 C ATOM 1386 CG PRO A 90 -13.373 -6.523 1.031 1.00 0.00 C ATOM 1387 CD PRO A 90 -12.305 -6.825 0.017 1.00 0.00 C ATOM 0 HA PRO A 90 -11.372 -3.878 1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.543 -4.917 2.439 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.703 -4.423 0.765 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.292 -7.186 1.892 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.366 -6.671 0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.976 -7.862 0.077 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.659 -6.661 -1.001 1.00 0.00 H new ATOM 1395 N VAL A 91 -10.424 -6.267 2.917 1.00 0.00 N ATOM 1396 CA VAL A 91 -9.773 -6.590 4.181 1.00 0.00 C ATOM 1397 C VAL A 91 -8.273 -6.327 4.109 1.00 0.00 C ATOM 1398 O VAL A 91 -7.686 -5.758 5.029 1.00 0.00 O ATOM 1399 CB VAL A 91 -10.008 -8.061 4.574 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -11.494 -8.342 4.727 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -9.383 -8.992 3.547 1.00 0.00 C ATOM 0 H VAL A 91 -10.382 -7.010 2.219 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.216 -5.945 4.940 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.528 -8.244 5.536 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.640 -9.386 5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.908 -7.699 5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.001 -8.143 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.558 -10.027 3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.832 -8.810 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.310 -8.807 3.493 1.00 0.00 H new ATOM 1411 N ASP A 92 -7.657 -6.747 3.009 1.00 0.00 N ATOM 1412 CA ASP A 92 -6.225 -6.557 2.815 1.00 0.00 C ATOM 1413 C ASP A 92 -5.821 -5.119 3.125 1.00 0.00 C ATOM 1414 O ASP A 92 -4.651 -4.832 3.381 1.00 0.00 O ATOM 1415 CB ASP A 92 -5.831 -6.912 1.381 1.00 0.00 C ATOM 1416 CG ASP A 92 -5.947 -8.398 1.100 1.00 0.00 C ATOM 1417 OD1 ASP A 92 -6.560 -9.111 1.922 1.00 0.00 O ATOM 1418 OD2 ASP A 92 -5.426 -8.846 0.057 1.00 0.00 O ATOM 0 H ASP A 92 -8.128 -7.221 2.238 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.699 -7.220 3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.466 -6.363 0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.806 -6.589 1.198 1.00 0.00 H new ATOM 1423 N LEU A 93 -6.797 -4.217 3.099 1.00 0.00 N ATOM 1424 CA LEU A 93 -6.544 -2.807 3.376 1.00 0.00 C ATOM 1425 C LEU A 93 -6.241 -2.589 4.855 1.00 0.00 C ATOM 1426 O LEU A 93 -6.601 -3.408 5.701 1.00 0.00 O ATOM 1427 CB LEU A 93 -7.747 -1.961 2.960 1.00 0.00 C ATOM 1428 CG LEU A 93 -8.281 -2.203 1.547 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -9.500 -1.333 1.281 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -7.197 -1.935 0.514 1.00 0.00 C ATOM 0 H LEU A 93 -7.771 -4.437 2.889 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.674 -2.499 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.555 -2.142 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.475 -0.909 3.049 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.581 -3.248 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.866 -1.519 0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -10.283 -1.573 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.226 -0.283 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.595 -2.112 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.866 -0.900 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.352 -2.601 0.692 1.00 0.00 H new ATOM 1442 N PHE A 94 -5.579 -1.478 5.160 1.00 0.00 N ATOM 1443 CA PHE A 94 -5.229 -1.150 6.538 1.00 0.00 C ATOM 1444 C PHE A 94 -5.627 0.284 6.873 1.00 0.00 C ATOM 1445 O PHE A 94 -6.039 1.046 5.999 1.00 0.00 O ATOM 1446 CB PHE A 94 -3.728 -1.341 6.764 1.00 0.00 C ATOM 1447 CG PHE A 94 -2.875 -0.434 5.925 1.00 0.00 C ATOM 1448 CD1 PHE A 94 -2.566 0.846 6.359 1.00 0.00 C ATOM 1449 CD2 PHE A 94 -2.381 -0.860 4.703 1.00 0.00 C ATOM 1450 CE1 PHE A 94 -1.780 1.683 5.590 1.00 0.00 C ATOM 1451 CE2 PHE A 94 -1.596 -0.027 3.929 1.00 0.00 C ATOM 1452 CZ PHE A 94 -1.295 1.246 4.373 1.00 0.00 C ATOM 0 H PHE A 94 -5.274 -0.789 4.472 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.777 -1.824 7.197 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.502 -1.168 7.816 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.465 -2.376 6.548 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.944 1.193 7.309 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.612 -1.855 4.351 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.545 2.677 5.940 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.218 -0.371 2.978 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.681 1.898 3.769 1.00 0.00 H new ATOM 1462 N GLU A 95 -5.500 0.645 8.147 1.00 0.00 N ATOM 1463 CA GLU A 95 -5.847 1.987 8.598 1.00 0.00 C ATOM 1464 C GLU A 95 -4.599 2.853 8.743 1.00 0.00 C ATOM 1465 O GLU A 95 -3.523 2.358 9.079 1.00 0.00 O ATOM 1466 CB GLU A 95 -6.594 1.923 9.933 1.00 0.00 C ATOM 1467 CG GLU A 95 -8.038 1.470 9.801 1.00 0.00 C ATOM 1468 CD GLU A 95 -8.165 0.099 9.167 1.00 0.00 C ATOM 1469 OE1 GLU A 95 -8.118 0.016 7.921 1.00 0.00 O ATOM 1470 OE2 GLU A 95 -8.312 -0.890 9.914 1.00 0.00 O ATOM 0 H GLU A 95 -5.160 0.027 8.884 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.496 2.438 7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.068 1.242 10.602 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.572 2.908 10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.501 1.454 10.788 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.589 2.195 9.202 1.00 0.00 H new ATOM 1477 N ALA A 96 -4.751 4.147 8.486 1.00 0.00 N ATOM 1478 CA ALA A 96 -3.638 5.083 8.588 1.00 0.00 C ATOM 1479 C ALA A 96 -3.049 5.084 9.995 1.00 0.00 C ATOM 1480 O ALA A 96 -1.846 5.263 10.174 1.00 0.00 O ATOM 1481 CB ALA A 96 -4.088 6.483 8.201 1.00 0.00 C ATOM 0 H ALA A 96 -5.635 4.572 8.205 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.860 4.760 7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.246 7.171 8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.454 6.477 7.174 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.886 6.806 8.869 1.00 0.00 H new ATOM 1487 N ASN A 97 -3.907 4.884 10.990 1.00 0.00 N ATOM 1488 CA ASN A 97 -3.471 4.863 12.382 1.00 0.00 C ATOM 1489 C ASN A 97 -2.620 3.630 12.667 1.00 0.00 C ATOM 1490 O ASN A 97 -1.562 3.724 13.291 1.00 0.00 O ATOM 1491 CB ASN A 97 -4.682 4.889 13.317 1.00 0.00 C ATOM 1492 CG ASN A 97 -5.805 3.992 12.834 1.00 0.00 C ATOM 1493 OD1 ASN A 97 -6.625 4.396 12.010 1.00 0.00 O ATOM 1494 ND2 ASN A 97 -5.847 2.768 13.347 1.00 0.00 N ATOM 0 H ASN A 97 -4.907 4.734 10.859 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.863 5.750 12.560 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.374 4.576 14.315 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -5.049 5.912 13.403 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.580 2.120 13.060 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.146 2.476 14.028 1.00 0.00 H new ATOM 1501 N ASP A 98 -3.088 2.476 12.205 1.00 0.00 N ATOM 1502 CA ASP A 98 -2.368 1.223 12.410 1.00 0.00 C ATOM 1503 C ASP A 98 -0.868 1.422 12.225 1.00 0.00 C ATOM 1504 O ASP A 98 -0.060 0.861 12.968 1.00 0.00 O ATOM 1505 CB ASP A 98 -2.877 0.155 11.440 1.00 0.00 C ATOM 1506 CG ASP A 98 -4.144 -0.518 11.932 1.00 0.00 C ATOM 1507 OD1 ASP A 98 -4.759 0.002 12.887 1.00 0.00 O ATOM 1508 OD2 ASP A 98 -4.520 -1.564 11.363 1.00 0.00 O ATOM 0 H ASP A 98 -3.961 2.381 11.687 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.548 0.891 13.432 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.065 0.611 10.468 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.102 -0.598 11.294 1.00 0.00 H new ATOM 1513 N LEU A 99 -0.500 2.223 11.231 1.00 0.00 N ATOM 1514 CA LEU A 99 0.905 2.495 10.949 1.00 0.00 C ATOM 1515 C LEU A 99 1.385 3.727 11.709 1.00 0.00 C ATOM 1516 O LEU A 99 2.428 3.697 12.363 1.00 0.00 O ATOM 1517 CB LEU A 99 1.113 2.697 9.446 1.00 0.00 C ATOM 1518 CG LEU A 99 2.565 2.781 8.975 1.00 0.00 C ATOM 1519 CD1 LEU A 99 3.280 1.459 9.211 1.00 0.00 C ATOM 1520 CD2 LEU A 99 2.627 3.167 7.505 1.00 0.00 C ATOM 0 H LEU A 99 -1.155 2.695 10.607 1.00 0.00 H new ATOM 0 HA LEU A 99 1.489 1.636 11.280 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.628 1.876 8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.602 3.613 9.149 1.00 0.00 H new ATOM 0 HG LEU A 99 3.071 3.553 9.555 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.312 1.538 8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.267 1.223 10.275 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.774 0.668 8.658 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.668 3.222 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.105 2.418 6.910 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.153 4.138 7.363 1.00 0.00 H new ATOM 1532 N PHE A 100 0.616 4.807 11.622 1.00 0.00 N ATOM 1533 CA PHE A 100 0.962 6.049 12.304 1.00 0.00 C ATOM 1534 C PHE A 100 1.318 5.787 13.765 1.00 0.00 C ATOM 1535 O PHE A 100 2.441 6.044 14.197 1.00 0.00 O ATOM 1536 CB PHE A 100 -0.199 7.042 12.220 1.00 0.00 C ATOM 1537 CG PHE A 100 0.205 8.460 12.506 1.00 0.00 C ATOM 1538 CD1 PHE A 100 1.268 9.041 11.834 1.00 0.00 C ATOM 1539 CD2 PHE A 100 -0.480 9.213 13.447 1.00 0.00 C ATOM 1540 CE1 PHE A 100 1.642 10.346 12.094 1.00 0.00 C ATOM 1541 CE2 PHE A 100 -0.111 10.519 13.711 1.00 0.00 C ATOM 1542 CZ PHE A 100 0.951 11.085 13.034 1.00 0.00 C ATOM 0 H PHE A 100 -0.251 4.848 11.086 1.00 0.00 H new ATOM 0 HA PHE A 100 1.833 6.476 11.808 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.639 6.992 11.224 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -0.974 6.744 12.926 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.811 8.467 11.098 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.311 8.775 13.980 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.473 10.787 11.563 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.653 11.096 14.446 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.241 12.105 13.239 1.00 0.00 H new ATOM 1552 N GLU A 101 0.351 5.272 14.520 1.00 0.00 N ATOM 1553 CA GLU A 101 0.563 4.976 15.932 1.00 0.00 C ATOM 1554 C GLU A 101 0.793 3.482 16.147 1.00 0.00 C ATOM 1555 O GLU A 101 0.339 2.911 17.138 1.00 0.00 O ATOM 1556 CB GLU A 101 -0.638 5.443 16.758 1.00 0.00 C ATOM 1557 CG GLU A 101 -0.816 6.951 16.776 1.00 0.00 C ATOM 1558 CD GLU A 101 0.028 7.625 17.841 1.00 0.00 C ATOM 1559 OE1 GLU A 101 0.107 7.087 18.965 1.00 0.00 O ATOM 1560 OE2 GLU A 101 0.609 8.691 17.550 1.00 0.00 O ATOM 0 H GLU A 101 -0.584 5.052 14.178 1.00 0.00 H new ATOM 0 HA GLU A 101 1.453 5.513 16.261 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.543 4.984 16.359 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.524 5.087 17.782 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.553 7.356 15.799 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.866 7.187 16.947 1.00 0.00 H new ATOM 1567 N SER A 102 1.498 2.859 15.210 1.00 0.00 N ATOM 1568 CA SER A 102 1.785 1.431 15.293 1.00 0.00 C ATOM 1569 C SER A 102 0.568 0.661 15.796 1.00 0.00 C ATOM 1570 O SER A 102 0.696 -0.423 16.363 1.00 0.00 O ATOM 1571 CB SER A 102 2.978 1.182 16.218 1.00 0.00 C ATOM 1572 OG SER A 102 2.670 1.540 17.554 1.00 0.00 O ATOM 0 H SER A 102 1.881 3.319 14.384 1.00 0.00 H new ATOM 0 HA SER A 102 2.030 1.076 14.292 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.262 0.130 16.176 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.837 1.758 15.872 1.00 0.00 H new ATOM 0 HG SER A 102 1.770 1.926 17.590 1.00 0.00 H new ATOM 1578 N GLY A 103 -0.615 1.230 15.583 1.00 0.00 N ATOM 1579 CA GLY A 103 -1.838 0.584 16.020 1.00 0.00 C ATOM 1580 C GLY A 103 -1.974 -0.826 15.481 1.00 0.00 C ATOM 1581 O GLY A 103 -2.754 -1.623 16.002 1.00 0.00 O ATOM 0 H GLY A 103 -0.748 2.127 15.116 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.862 0.557 17.109 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.694 1.177 15.697 1.00 0.00 H new ATOM 1585 N ASN A 104 -1.216 -1.133 14.435 1.00 0.00 N ATOM 1586 CA ASN A 104 -1.256 -2.457 13.824 1.00 0.00 C ATOM 1587 C ASN A 104 -0.207 -2.581 12.723 1.00 0.00 C ATOM 1588 O ASN A 104 -0.284 -1.900 11.700 1.00 0.00 O ATOM 1589 CB ASN A 104 -2.648 -2.734 13.251 1.00 0.00 C ATOM 1590 CG ASN A 104 -3.008 -4.207 13.294 1.00 0.00 C ATOM 1591 OD1 ASN A 104 -2.241 -5.030 13.794 1.00 0.00 O ATOM 1592 ND2 ASN A 104 -4.179 -4.545 12.767 1.00 0.00 N ATOM 0 H ASN A 104 -0.566 -0.484 13.992 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.034 -3.193 14.596 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.389 -2.165 13.813 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.690 -2.382 12.220 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.475 -5.521 12.766 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -4.782 -3.829 12.363 1.00 0.00 H new ATOM 1599 N MET A 105 0.771 -3.454 12.940 1.00 0.00 N ATOM 1600 CA MET A 105 1.834 -3.667 11.966 1.00 0.00 C ATOM 1601 C MET A 105 1.579 -4.931 11.150 1.00 0.00 C ATOM 1602 O MET A 105 2.254 -5.186 10.153 1.00 0.00 O ATOM 1603 CB MET A 105 3.188 -3.767 12.671 1.00 0.00 C ATOM 1604 CG MET A 105 3.899 -2.431 12.814 1.00 0.00 C ATOM 1605 SD MET A 105 5.000 -2.077 11.432 1.00 0.00 S ATOM 1606 CE MET A 105 3.817 -1.864 10.103 1.00 0.00 C ATOM 0 H MET A 105 0.849 -4.025 13.782 1.00 0.00 H new ATOM 0 HA MET A 105 1.847 -2.814 11.288 1.00 0.00 H new ATOM 0 HB2 MET A 105 3.042 -4.199 13.661 1.00 0.00 H new ATOM 0 HB3 MET A 105 3.828 -4.452 12.115 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.157 -1.636 12.895 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.473 -2.427 13.741 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.291 -1.337 9.275 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.473 -2.840 9.763 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.967 -1.284 10.462 1.00 0.00 H new ATOM 1616 N THR A 106 0.598 -5.719 11.581 1.00 0.00 N ATOM 1617 CA THR A 106 0.254 -6.957 10.892 1.00 0.00 C ATOM 1618 C THR A 106 -0.708 -6.694 9.738 1.00 0.00 C ATOM 1619 O THR A 106 -0.615 -7.326 8.687 1.00 0.00 O ATOM 1620 CB THR A 106 -0.382 -7.977 11.854 1.00 0.00 C ATOM 1621 OG1 THR A 106 -1.747 -7.627 12.108 1.00 0.00 O ATOM 1622 CG2 THR A 106 0.384 -8.034 13.167 1.00 0.00 C ATOM 0 H THR A 106 0.028 -5.522 12.404 1.00 0.00 H new ATOM 0 HA THR A 106 1.183 -7.370 10.500 1.00 0.00 H new ATOM 0 HB THR A 106 -0.341 -8.960 11.384 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.781 -6.797 12.627 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.084 -8.761 13.830 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.415 -8.330 12.974 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.371 -7.052 13.639 1.00 0.00 H new ATOM 1630 N GLN A 107 -1.630 -5.759 9.943 1.00 0.00 N ATOM 1631 CA GLN A 107 -2.609 -5.415 8.920 1.00 0.00 C ATOM 1632 C GLN A 107 -1.940 -4.715 7.742 1.00 0.00 C ATOM 1633 O GLN A 107 -2.252 -4.992 6.583 1.00 0.00 O ATOM 1634 CB GLN A 107 -3.700 -4.518 9.509 1.00 0.00 C ATOM 1635 CG GLN A 107 -5.059 -4.705 8.855 1.00 0.00 C ATOM 1636 CD GLN A 107 -4.956 -5.084 7.391 1.00 0.00 C ATOM 1637 OE1 GLN A 107 -4.537 -4.279 6.558 1.00 0.00 O ATOM 1638 NE2 GLN A 107 -5.338 -6.314 7.069 1.00 0.00 N ATOM 0 H GLN A 107 -1.719 -5.226 10.808 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.063 -6.339 8.561 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.789 -4.721 10.576 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -3.397 -3.476 9.406 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.611 -5.479 9.388 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -5.632 -3.783 8.948 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.679 -6.948 7.792 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.291 -6.625 6.099 1.00 0.00 H new ATOM 1647 N VAL A 108 -1.019 -3.805 8.044 1.00 0.00 N ATOM 1648 CA VAL A 108 -0.305 -3.066 7.010 1.00 0.00 C ATOM 1649 C VAL A 108 0.659 -3.973 6.253 1.00 0.00 C ATOM 1650 O VAL A 108 0.871 -3.803 5.053 1.00 0.00 O ATOM 1651 CB VAL A 108 0.481 -1.883 7.606 1.00 0.00 C ATOM 1652 CG1 VAL A 108 1.292 -1.183 6.527 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -0.464 -0.909 8.292 1.00 0.00 C ATOM 0 H VAL A 108 -0.750 -3.562 8.997 1.00 0.00 H new ATOM 0 HA VAL A 108 -1.056 -2.682 6.320 1.00 0.00 H new ATOM 0 HB VAL A 108 1.174 -2.269 8.354 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.840 -0.350 6.967 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.996 -1.888 6.086 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.622 -0.808 5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.108 -0.079 8.708 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.183 -0.527 7.567 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.995 -1.421 9.094 1.00 0.00 H new ATOM 1663 N GLN A 109 1.239 -4.935 6.963 1.00 0.00 N ATOM 1664 CA GLN A 109 2.181 -5.869 6.357 1.00 0.00 C ATOM 1665 C GLN A 109 1.498 -6.714 5.287 1.00 0.00 C ATOM 1666 O GLN A 109 1.938 -6.753 4.138 1.00 0.00 O ATOM 1667 CB GLN A 109 2.792 -6.776 7.426 1.00 0.00 C ATOM 1668 CG GLN A 109 3.903 -7.671 6.903 1.00 0.00 C ATOM 1669 CD GLN A 109 5.272 -7.032 7.024 1.00 0.00 C ATOM 1670 OE1 GLN A 109 5.436 -5.836 6.786 1.00 0.00 O ATOM 1671 NE2 GLN A 109 6.267 -7.830 7.398 1.00 0.00 N ATOM 0 H GLN A 109 1.074 -5.088 7.958 1.00 0.00 H new ATOM 0 HA GLN A 109 2.975 -5.290 5.885 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.185 -6.158 8.234 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.007 -7.399 7.854 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.896 -8.612 7.453 1.00 0.00 H new ATOM 0 HG3 GLN A 109 3.709 -7.911 5.858 1.00 0.00 H new ATOM 0 HE21 GLN A 109 6.087 -8.816 7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 109 7.211 -7.456 7.498 1.00 0.00 H new ATOM 1680 N VAL A 110 0.420 -7.389 5.671 1.00 0.00 N ATOM 1681 CA VAL A 110 -0.325 -8.233 4.744 1.00 0.00 C ATOM 1682 C VAL A 110 -0.832 -7.427 3.553 1.00 0.00 C ATOM 1683 O VAL A 110 -1.082 -7.975 2.481 1.00 0.00 O ATOM 1684 CB VAL A 110 -1.520 -8.910 5.439 1.00 0.00 C ATOM 1685 CG1 VAL A 110 -1.039 -9.879 6.507 1.00 0.00 C ATOM 1686 CG2 VAL A 110 -2.452 -7.866 6.035 1.00 0.00 C ATOM 0 H VAL A 110 0.042 -7.368 6.618 1.00 0.00 H new ATOM 0 HA VAL A 110 0.363 -9.001 4.392 1.00 0.00 H new ATOM 0 HB VAL A 110 -2.077 -9.477 4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.898 -10.347 6.987 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.416 -10.647 6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.457 -9.338 7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.291 -8.363 6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.909 -7.269 6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.825 -7.217 5.243 1.00 0.00 H new ATOM 1696 N SER A 111 -0.981 -6.121 3.750 1.00 0.00 N ATOM 1697 CA SER A 111 -1.463 -5.239 2.694 1.00 0.00 C ATOM 1698 C SER A 111 -0.421 -5.096 1.589 1.00 0.00 C ATOM 1699 O SER A 111 -0.760 -4.977 0.411 1.00 0.00 O ATOM 1700 CB SER A 111 -1.806 -3.862 3.267 1.00 0.00 C ATOM 1701 OG SER A 111 -2.696 -3.162 2.414 1.00 0.00 O ATOM 0 H SER A 111 -0.775 -5.650 4.631 1.00 0.00 H new ATOM 0 HA SER A 111 -2.363 -5.682 2.267 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.257 -3.977 4.253 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.893 -3.282 3.400 1.00 0.00 H new ATOM 0 HG SER A 111 -3.598 -3.534 2.506 1.00 0.00 H new ATOM 1707 N LEU A 112 0.850 -5.110 1.977 1.00 0.00 N ATOM 1708 CA LEU A 112 1.944 -4.982 1.020 1.00 0.00 C ATOM 1709 C LEU A 112 2.269 -6.329 0.382 1.00 0.00 C ATOM 1710 O LEU A 112 2.496 -6.418 -0.825 1.00 0.00 O ATOM 1711 CB LEU A 112 3.187 -4.417 1.709 1.00 0.00 C ATOM 1712 CG LEU A 112 3.002 -3.090 2.445 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.258 -2.733 3.226 1.00 0.00 C ATOM 1714 CD2 LEU A 112 2.647 -1.981 1.465 1.00 0.00 C ATOM 0 H LEU A 112 1.148 -5.209 2.947 1.00 0.00 H new ATOM 0 HA LEU A 112 1.629 -4.295 0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.551 -5.157 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.967 -4.287 0.958 1.00 0.00 H new ATOM 0 HG LEU A 112 2.179 -3.200 3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.108 -1.785 3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.468 -3.515 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.100 -2.642 2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.519 -1.044 2.007 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.448 -1.871 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.719 -2.233 0.951 1.00 0.00 H new ATOM 1726 N LEU A 113 2.288 -7.375 1.200 1.00 0.00 N ATOM 1727 CA LEU A 113 2.583 -8.720 0.716 1.00 0.00 C ATOM 1728 C LEU A 113 1.543 -9.171 -0.305 1.00 0.00 C ATOM 1729 O LEU A 113 1.823 -10.010 -1.161 1.00 0.00 O ATOM 1730 CB LEU A 113 2.629 -9.705 1.885 1.00 0.00 C ATOM 1731 CG LEU A 113 3.932 -9.738 2.685 1.00 0.00 C ATOM 1732 CD1 LEU A 113 3.752 -10.540 3.965 1.00 0.00 C ATOM 1733 CD2 LEU A 113 5.060 -10.318 1.844 1.00 0.00 C ATOM 0 H LEU A 113 2.103 -7.318 2.201 1.00 0.00 H new ATOM 0 HA LEU A 113 3.558 -8.699 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.813 -9.466 2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.438 -10.706 1.498 1.00 0.00 H new ATOM 0 HG LEU A 113 4.196 -8.716 2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.689 -10.553 4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.974 -10.081 4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.464 -11.561 3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.979 -10.334 2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.804 -11.334 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.206 -9.702 0.956 1.00 0.00 H new ATOM 1745 N ALA A 114 0.343 -8.608 -0.208 1.00 0.00 N ATOM 1746 CA ALA A 114 -0.736 -8.950 -1.125 1.00 0.00 C ATOM 1747 C ALA A 114 -0.708 -8.059 -2.363 1.00 0.00 C ATOM 1748 O ALA A 114 -0.942 -8.524 -3.480 1.00 0.00 O ATOM 1749 CB ALA A 114 -2.081 -8.838 -0.422 1.00 0.00 C ATOM 0 H ALA A 114 0.094 -7.913 0.496 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.592 -9.981 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.878 -9.096 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.106 -9.521 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.224 -7.816 -0.070 1.00 0.00 H new ATOM 1755 N LEU A 115 -0.422 -6.778 -2.157 1.00 0.00 N ATOM 1756 CA LEU A 115 -0.364 -5.821 -3.257 1.00 0.00 C ATOM 1757 C LEU A 115 0.811 -6.126 -4.182 1.00 0.00 C ATOM 1758 O LEU A 115 0.736 -5.904 -5.390 1.00 0.00 O ATOM 1759 CB LEU A 115 -0.243 -4.397 -2.714 1.00 0.00 C ATOM 1760 CG LEU A 115 0.298 -3.350 -3.689 1.00 0.00 C ATOM 1761 CD1 LEU A 115 -0.835 -2.731 -4.491 1.00 0.00 C ATOM 1762 CD2 LEU A 115 1.075 -2.276 -2.940 1.00 0.00 C ATOM 0 H LEU A 115 -0.227 -6.378 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.287 -5.907 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.227 -4.074 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.405 -4.418 -1.838 1.00 0.00 H new ATOM 0 HG LEU A 115 0.978 -3.844 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.430 -1.989 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.348 -3.509 -5.057 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.541 -2.251 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.453 -1.539 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.418 -1.785 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.912 -2.734 -2.412 1.00 0.00 H new ATOM 1774 N ALA A 116 1.894 -6.638 -3.606 1.00 0.00 N ATOM 1775 CA ALA A 116 3.082 -6.978 -4.380 1.00 0.00 C ATOM 1776 C ALA A 116 2.824 -8.178 -5.284 1.00 0.00 C ATOM 1777 O ALA A 116 3.176 -8.166 -6.462 1.00 0.00 O ATOM 1778 CB ALA A 116 4.254 -7.255 -3.451 1.00 0.00 C ATOM 0 H ALA A 116 1.973 -6.826 -2.607 1.00 0.00 H new ATOM 0 HA ALA A 116 3.329 -6.127 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.135 -7.508 -4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.461 -6.368 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 116 4.007 -8.088 -2.793 1.00 0.00 H new ATOM 1784 N GLY A 117 2.208 -9.214 -4.723 1.00 0.00 N ATOM 1785 CA GLY A 117 1.915 -10.409 -5.493 1.00 0.00 C ATOM 1786 C GLY A 117 1.133 -10.106 -6.757 1.00 0.00 C ATOM 1787 O GLY A 117 1.073 -10.929 -7.670 1.00 0.00 O ATOM 0 H GLY A 117 1.907 -9.247 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 117 2.849 -10.906 -5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 117 1.347 -11.105 -4.876 1.00 0.00 H new ATOM 1791 N LYS A 118 0.533 -8.923 -6.810 1.00 0.00 N ATOM 1792 CA LYS A 118 -0.249 -8.513 -7.970 1.00 0.00 C ATOM 1793 C LYS A 118 0.535 -7.532 -8.836 1.00 0.00 C ATOM 1794 O LYS A 118 0.431 -7.552 -10.062 1.00 0.00 O ATOM 1795 CB LYS A 118 -1.566 -7.874 -7.523 1.00 0.00 C ATOM 1796 CG LYS A 118 -2.368 -7.271 -8.665 1.00 0.00 C ATOM 1797 CD LYS A 118 -3.301 -6.178 -8.173 1.00 0.00 C ATOM 1798 CE LYS A 118 -4.588 -6.756 -7.606 1.00 0.00 C ATOM 1799 NZ LYS A 118 -5.318 -7.576 -8.612 1.00 0.00 N ATOM 0 H LYS A 118 0.573 -8.230 -6.063 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.466 -9.402 -8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.174 -8.627 -7.021 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.352 -7.096 -6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -1.688 -6.862 -9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.948 -8.052 -9.156 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.798 -5.587 -7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -3.536 -5.502 -8.995 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -4.358 -7.370 -6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -5.230 -5.945 -7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -6.321 -7.640 -8.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -5.236 -7.131 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -4.907 -8.531 -8.646 1.00 0.00 H new ATOM 1813 N ALA A 119 1.320 -6.677 -8.190 1.00 0.00 N ATOM 1814 CA ALA A 119 2.125 -5.691 -8.902 1.00 0.00 C ATOM 1815 C ALA A 119 3.327 -6.346 -9.574 1.00 0.00 C ATOM 1816 O ALA A 119 3.914 -5.787 -10.501 1.00 0.00 O ATOM 1817 CB ALA A 119 2.582 -4.596 -7.950 1.00 0.00 C ATOM 0 H ALA A 119 1.416 -6.647 -7.175 1.00 0.00 H new ATOM 0 HA ALA A 119 1.505 -5.245 -9.680 1.00 0.00 H new ATOM 0 HB1 ALA A 119 3.182 -3.867 -8.495 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.711 -4.101 -7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.181 -5.034 -7.152 1.00 0.00 H new