USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 733 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 58 MET CE :methyl -175:sc= -0.674 (180deg=-0.794) USER MOD Set 1.2: A 89 TYR OH : rot 30:sc= -0.0107 USER MOD Single : A 16 GLN : amide:sc= -0.235 X(o=-0.24,f=0.16) USER MOD Single : A 19 SER OG : rot -45:sc= 0.398 USER MOD Single : A 20 SER OG : rot 37:sc= -0.59 USER MOD Single : A 26 GLN : amide:sc=-0.00557 X(o=-0.0056,f=0) USER MOD Single : A 29 MET CE :methyl 162:sc= -6.15! (180deg=-6.71!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.679 USER MOD Single : A 38 GLN : amide:sc= -0.42 K(o=-0.42,f=-1.8) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0119 X(o=-0.012,f=-0.098) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.209 K(o=-0.21,f=-2.1) USER MOD Single : A 52 TYR OH : rot 30:sc= -0.052 USER MOD Single : A 55 TYR OH : rot 138:sc= -0.71 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 82:sc= 0.139 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl -167:sc= -0.725 (180deg=-1.04) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-0.82) USER MOD Single : A 71 ASN : amide:sc= -0.384 K(o=-0.38,f=-0.9) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.802 F(o=-1.5,f=-0.8) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00639 USER MOD Single : A 82 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.16) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 158:sc= 1.74 USER MOD Single : A 92 LYS NZ :NH3+ -131:sc= -0.0798 (180deg=-0.656) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0797 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 112 THR OG1 : rot -156:sc= 1.33 USER MOD Single : A 113 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 186 N GLN A 16 -3.416 21.114 0.939 1.00 0.00 N ATOM 187 CA GLN A 16 -4.311 20.591 -0.087 1.00 0.00 C ATOM 188 C GLN A 16 -4.371 19.067 -0.032 1.00 0.00 C ATOM 189 O GLN A 16 -3.753 18.442 0.828 1.00 0.00 O ATOM 190 CB GLN A 16 -3.855 21.047 -1.473 1.00 0.00 C ATOM 191 CG GLN A 16 -4.708 22.158 -2.062 1.00 0.00 C ATOM 192 CD GLN A 16 -4.488 23.490 -1.371 1.00 0.00 C ATOM 193 OE1 GLN A 16 -3.786 23.572 -0.363 1.00 0.00 O ATOM 194 NE2 GLN A 16 -5.091 24.543 -1.911 1.00 0.00 N ATOM 0 HA GLN A 16 -5.310 20.982 0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.822 21.388 -1.412 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.869 20.193 -2.150 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.481 22.261 -3.123 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.760 21.883 -1.986 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.664 24.429 -2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.981 25.465 -1.490 1.00 0.00 H new ATOM 203 N ALA A 17 -5.122 18.478 -0.956 1.00 0.00 N ATOM 204 CA ALA A 17 -5.261 17.028 -1.015 1.00 0.00 C ATOM 205 C ALA A 17 -3.958 16.367 -1.451 1.00 0.00 C ATOM 206 O ALA A 17 -3.087 16.996 -2.055 1.00 0.00 O ATOM 207 CB ALA A 17 -6.393 16.644 -1.958 1.00 0.00 C ATOM 0 H ALA A 17 -5.643 18.982 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.500 16.670 -0.013 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.485 15.558 -1.992 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.327 17.077 -1.600 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.178 17.022 -2.958 1.00 0.00 H new ATOM 213 N PRO A 18 -3.819 15.071 -1.142 1.00 0.00 N ATOM 214 CA PRO A 18 -2.624 14.297 -1.494 1.00 0.00 C ATOM 215 C PRO A 18 -2.513 14.051 -2.996 1.00 0.00 C ATOM 216 O PRO A 18 -3.402 13.455 -3.604 1.00 0.00 O ATOM 217 CB PRO A 18 -2.825 12.974 -0.750 1.00 0.00 C ATOM 218 CG PRO A 18 -4.301 12.854 -0.585 1.00 0.00 C ATOM 219 CD PRO A 18 -4.816 14.257 -0.426 1.00 0.00 C ATOM 0 HA PRO A 18 -1.707 14.820 -1.223 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.420 12.135 -1.317 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.318 12.981 0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.752 12.369 -1.450 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.548 12.247 0.286 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.811 14.371 -0.856 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.888 14.542 0.624 1.00 0.00 H new ATOM 227 N SER A 19 -1.417 14.516 -3.587 1.00 0.00 N ATOM 228 CA SER A 19 -1.191 14.349 -5.018 1.00 0.00 C ATOM 229 C SER A 19 -0.029 13.396 -5.278 1.00 0.00 C ATOM 230 O SER A 19 0.750 13.591 -6.211 1.00 0.00 O ATOM 231 CB SER A 19 -0.913 15.703 -5.672 1.00 0.00 C ATOM 232 OG SER A 19 -0.931 15.601 -7.086 1.00 0.00 O ATOM 0 H SER A 19 -0.672 15.011 -3.097 1.00 0.00 H new ATOM 0 HA SER A 19 -2.092 13.920 -5.456 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.660 16.427 -5.347 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.057 16.076 -5.344 1.00 0.00 H new ATOM 0 HG SER A 19 -0.418 14.814 -7.364 1.00 0.00 H new ATOM 238 N SER A 20 0.080 12.366 -4.447 1.00 0.00 N ATOM 239 CA SER A 20 1.150 11.384 -4.583 1.00 0.00 C ATOM 240 C SER A 20 0.687 10.007 -4.117 1.00 0.00 C ATOM 241 O SER A 20 0.099 9.867 -3.043 1.00 0.00 O ATOM 242 CB SER A 20 2.377 11.820 -3.779 1.00 0.00 C ATOM 243 OG SER A 20 3.363 12.388 -4.623 1.00 0.00 O ATOM 0 H SER A 20 -0.559 12.189 -3.672 1.00 0.00 H new ATOM 0 HA SER A 20 1.418 11.321 -5.638 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.080 12.545 -3.021 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.795 10.962 -3.253 1.00 0.00 H new ATOM 0 HG SER A 20 2.928 12.903 -5.334 1.00 0.00 H new ATOM 249 N ALA A 21 0.954 8.992 -4.932 1.00 0.00 N ATOM 250 CA ALA A 21 0.566 7.626 -4.605 1.00 0.00 C ATOM 251 C ALA A 21 1.391 7.085 -3.442 1.00 0.00 C ATOM 252 O ALA A 21 2.506 7.536 -3.179 1.00 0.00 O ATOM 253 CB ALA A 21 0.716 6.728 -5.824 1.00 0.00 C ATOM 0 H ALA A 21 1.438 9.090 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.481 7.635 -4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.423 5.711 -5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.078 7.096 -6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.755 6.733 -6.154 1.00 0.00 H new ATOM 259 N PRO A 22 0.834 6.097 -2.729 1.00 0.00 N ATOM 260 CA PRO A 22 1.501 5.473 -1.582 1.00 0.00 C ATOM 261 C PRO A 22 2.700 4.628 -1.998 1.00 0.00 C ATOM 262 O PRO A 22 2.874 4.319 -3.177 1.00 0.00 O ATOM 263 CB PRO A 22 0.410 4.590 -0.973 1.00 0.00 C ATOM 264 CG PRO A 22 -0.513 4.291 -2.105 1.00 0.00 C ATOM 265 CD PRO A 22 -0.492 5.511 -2.986 1.00 0.00 C ATOM 0 HA PRO A 22 1.902 6.215 -0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.830 3.676 -0.553 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.109 5.104 -0.164 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.186 3.407 -2.653 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.521 4.087 -1.744 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.619 5.250 -4.037 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.294 6.204 -2.731 1.00 0.00 H new ATOM 273 N ARG A 23 3.523 4.257 -1.024 1.00 0.00 N ATOM 274 CA ARG A 23 4.706 3.448 -1.290 1.00 0.00 C ATOM 275 C ARG A 23 4.751 2.231 -0.370 1.00 0.00 C ATOM 276 O ARG A 23 3.872 2.043 0.469 1.00 0.00 O ATOM 277 CB ARG A 23 5.974 4.285 -1.109 1.00 0.00 C ATOM 278 CG ARG A 23 5.891 5.663 -1.744 1.00 0.00 C ATOM 279 CD ARG A 23 7.271 6.271 -1.940 1.00 0.00 C ATOM 280 NE ARG A 23 8.098 6.151 -0.741 1.00 0.00 N ATOM 281 CZ ARG A 23 9.378 6.500 -0.694 1.00 0.00 C ATOM 282 NH1 ARG A 23 9.975 6.991 -1.771 1.00 0.00 N ATOM 283 NH2 ARG A 23 10.063 6.362 0.434 1.00 0.00 N ATOM 0 H ARG A 23 3.393 4.504 -0.043 1.00 0.00 H new ATOM 0 HA ARG A 23 4.653 3.100 -2.322 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.176 4.397 -0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.819 3.747 -1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.384 5.591 -2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.289 6.319 -1.115 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.769 5.778 -2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.169 7.323 -2.206 1.00 0.00 H new ATOM 0 HE ARG A 23 7.668 5.779 0.106 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.451 7.102 -2.639 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.959 7.258 -1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.606 5.988 1.266 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.046 6.630 0.470 1.00 0.00 H new ATOM 297 N ASP A 24 5.781 1.408 -0.537 1.00 0.00 N ATOM 298 CA ASP A 24 5.942 0.209 0.278 1.00 0.00 C ATOM 299 C ASP A 24 4.666 -0.627 0.270 1.00 0.00 C ATOM 300 O ASP A 24 4.361 -1.323 1.238 1.00 0.00 O ATOM 301 CB ASP A 24 6.307 0.588 1.714 1.00 0.00 C ATOM 302 CG ASP A 24 7.552 -0.127 2.201 1.00 0.00 C ATOM 303 OD1 ASP A 24 7.800 -1.264 1.747 1.00 0.00 O ATOM 304 OD2 ASP A 24 8.278 0.448 3.037 1.00 0.00 O ATOM 0 H ASP A 24 6.517 1.549 -1.229 1.00 0.00 H new ATOM 0 HA ASP A 24 6.749 -0.386 -0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.463 1.665 1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.473 0.349 2.373 1.00 0.00 H new ATOM 309 N VAL A 25 3.922 -0.554 -0.829 1.00 0.00 N ATOM 310 CA VAL A 25 2.680 -1.305 -0.965 1.00 0.00 C ATOM 311 C VAL A 25 2.942 -2.710 -1.497 1.00 0.00 C ATOM 312 O VAL A 25 3.346 -2.883 -2.646 1.00 0.00 O ATOM 313 CB VAL A 25 1.691 -0.589 -1.903 1.00 0.00 C ATOM 314 CG1 VAL A 25 0.405 -1.390 -2.034 1.00 0.00 C ATOM 315 CG2 VAL A 25 1.404 0.818 -1.401 1.00 0.00 C ATOM 0 H VAL A 25 4.158 0.019 -1.639 1.00 0.00 H new ATOM 0 HA VAL A 25 2.241 -1.373 0.030 1.00 0.00 H new ATOM 0 HB VAL A 25 2.145 -0.512 -2.891 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.282 -0.869 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.630 -2.375 -2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.056 -1.501 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.703 1.309 -2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.970 0.767 -0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.333 1.388 -1.364 1.00 0.00 H new ATOM 325 N GLN A 26 2.707 -3.709 -0.653 1.00 0.00 N ATOM 326 CA GLN A 26 2.918 -5.100 -1.039 1.00 0.00 C ATOM 327 C GLN A 26 1.883 -6.009 -0.385 1.00 0.00 C ATOM 328 O GLN A 26 1.321 -5.677 0.659 1.00 0.00 O ATOM 329 CB GLN A 26 4.328 -5.550 -0.652 1.00 0.00 C ATOM 330 CG GLN A 26 5.426 -4.848 -1.433 1.00 0.00 C ATOM 331 CD GLN A 26 6.768 -5.540 -1.300 1.00 0.00 C ATOM 332 OE1 GLN A 26 7.693 -5.013 -0.680 1.00 0.00 O ATOM 333 NE2 GLN A 26 6.884 -6.728 -1.883 1.00 0.00 N ATOM 0 H GLN A 26 2.371 -3.582 0.302 1.00 0.00 H new ATOM 0 HA GLN A 26 2.806 -5.172 -2.121 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.479 -5.370 0.412 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.413 -6.625 -0.808 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.147 -4.804 -2.486 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.515 -3.820 -1.083 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.093 -7.128 -2.387 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.764 -7.240 -1.827 1.00 0.00 H new ATOM 342 N ALA A 27 1.635 -7.158 -1.005 1.00 0.00 N ATOM 343 CA ALA A 27 0.668 -8.115 -0.483 1.00 0.00 C ATOM 344 C ALA A 27 1.319 -9.472 -0.237 1.00 0.00 C ATOM 345 O ALA A 27 1.867 -10.084 -1.153 1.00 0.00 O ATOM 346 CB ALA A 27 -0.506 -8.257 -1.440 1.00 0.00 C ATOM 0 H ALA A 27 2.091 -7.449 -1.870 1.00 0.00 H new ATOM 0 HA ALA A 27 0.300 -7.738 0.471 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.220 -8.975 -1.036 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.994 -7.290 -1.563 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.146 -8.608 -2.407 1.00 0.00 H new ATOM 352 N ARG A 28 1.254 -9.938 1.007 1.00 0.00 N ATOM 353 CA ARG A 28 1.838 -11.222 1.374 1.00 0.00 C ATOM 354 C ARG A 28 0.776 -12.165 1.928 1.00 0.00 C ATOM 355 O ARG A 28 -0.002 -11.793 2.807 1.00 0.00 O ATOM 356 CB ARG A 28 2.948 -11.024 2.408 1.00 0.00 C ATOM 357 CG ARG A 28 2.452 -10.482 3.739 1.00 0.00 C ATOM 358 CD ARG A 28 3.604 -10.201 4.691 1.00 0.00 C ATOM 359 NE ARG A 28 4.363 -9.017 4.297 1.00 0.00 N ATOM 360 CZ ARG A 28 5.559 -8.715 4.789 1.00 0.00 C ATOM 361 NH1 ARG A 28 6.129 -9.505 5.689 1.00 0.00 N ATOM 362 NH2 ARG A 28 6.188 -7.620 4.380 1.00 0.00 N ATOM 0 H ARG A 28 0.802 -9.445 1.777 1.00 0.00 H new ATOM 0 HA ARG A 28 2.262 -11.669 0.475 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.449 -11.977 2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.693 -10.340 2.002 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.885 -9.566 3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.770 -11.200 4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.215 -10.063 5.700 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.269 -11.064 4.721 1.00 0.00 H new ATOM 0 HE ARG A 28 3.952 -8.388 3.607 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.649 -10.347 6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.048 -9.270 6.065 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.753 -7.010 3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.107 -7.388 4.758 1.00 0.00 H new ATOM 376 N MET A 29 0.746 -13.387 1.406 1.00 0.00 N ATOM 377 CA MET A 29 -0.222 -14.384 1.850 1.00 0.00 C ATOM 378 C MET A 29 0.265 -15.091 3.110 1.00 0.00 C ATOM 379 O MET A 29 1.430 -15.481 3.206 1.00 0.00 O ATOM 380 CB MET A 29 -0.475 -15.408 0.741 1.00 0.00 C ATOM 381 CG MET A 29 -1.807 -15.218 0.032 1.00 0.00 C ATOM 382 SD MET A 29 -3.218 -15.484 1.121 1.00 0.00 S ATOM 383 CE MET A 29 -4.101 -16.760 0.227 1.00 0.00 C ATOM 0 H MET A 29 1.380 -13.711 0.676 1.00 0.00 H new ATOM 0 HA MET A 29 -1.156 -13.871 2.081 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.330 -15.345 0.009 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.439 -16.410 1.168 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.855 -14.209 -0.378 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.868 -15.908 -0.810 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.804 -17.254 0.898 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.646 -16.311 -0.603 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.391 -17.492 -0.158 1.00 0.00 H new ATOM 393 N LEU A 30 -0.633 -15.256 4.075 1.00 0.00 N ATOM 394 CA LEU A 30 -0.294 -15.918 5.330 1.00 0.00 C ATOM 395 C LEU A 30 -1.117 -17.190 5.514 1.00 0.00 C ATOM 396 O LEU A 30 -0.678 -18.135 6.171 1.00 0.00 O ATOM 397 CB LEU A 30 -0.529 -14.971 6.508 1.00 0.00 C ATOM 398 CG LEU A 30 0.019 -13.552 6.349 1.00 0.00 C ATOM 399 CD1 LEU A 30 -0.504 -12.650 7.456 1.00 0.00 C ATOM 400 CD2 LEU A 30 1.541 -13.567 6.346 1.00 0.00 C ATOM 0 H LEU A 30 -1.601 -14.941 4.013 1.00 0.00 H new ATOM 0 HA LEU A 30 0.761 -16.191 5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.602 -14.906 6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.083 -15.414 7.399 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.324 -13.155 5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.103 -11.645 7.326 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.593 -12.615 7.413 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.192 -13.043 8.424 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.915 -12.549 6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.903 -13.983 7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.897 -14.179 5.517 1.00 0.00 H new ATOM 412 N SER A 31 -2.308 -17.207 4.928 1.00 0.00 N ATOM 413 CA SER A 31 -3.193 -18.363 5.030 1.00 0.00 C ATOM 414 C SER A 31 -3.792 -18.709 3.669 1.00 0.00 C ATOM 415 O SER A 31 -3.371 -18.180 2.640 1.00 0.00 O ATOM 416 CB SER A 31 -4.311 -18.091 6.036 1.00 0.00 C ATOM 417 OG SER A 31 -4.418 -19.143 6.979 1.00 0.00 O ATOM 0 H SER A 31 -2.684 -16.435 4.378 1.00 0.00 H new ATOM 0 HA SER A 31 -2.603 -19.211 5.376 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.117 -17.152 6.555 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.258 -17.974 5.509 1.00 0.00 H new ATOM 0 HG SER A 31 -5.139 -18.943 7.612 1.00 0.00 H new ATOM 423 N SER A 32 -4.776 -19.603 3.672 1.00 0.00 N ATOM 424 CA SER A 32 -5.430 -20.023 2.439 1.00 0.00 C ATOM 425 C SER A 32 -6.524 -19.037 2.041 1.00 0.00 C ATOM 426 O SER A 32 -6.945 -18.991 0.884 1.00 0.00 O ATOM 427 CB SER A 32 -6.027 -21.421 2.606 1.00 0.00 C ATOM 428 OG SER A 32 -5.031 -22.361 2.975 1.00 0.00 O ATOM 0 H SER A 32 -5.137 -20.050 4.515 1.00 0.00 H new ATOM 0 HA SER A 32 -4.680 -20.046 1.648 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.809 -21.398 3.365 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.498 -21.733 1.674 1.00 0.00 H new ATOM 0 HG SER A 32 -5.439 -23.246 3.077 1.00 0.00 H new ATOM 434 N THR A 33 -6.980 -18.246 3.007 1.00 0.00 N ATOM 435 CA THR A 33 -8.025 -17.260 2.759 1.00 0.00 C ATOM 436 C THR A 33 -7.786 -15.990 3.569 1.00 0.00 C ATOM 437 O THR A 33 -8.729 -15.287 3.932 1.00 0.00 O ATOM 438 CB THR A 33 -9.418 -17.820 3.103 1.00 0.00 C ATOM 439 OG1 THR A 33 -9.378 -18.497 4.363 1.00 0.00 O ATOM 440 CG2 THR A 33 -9.899 -18.778 2.022 1.00 0.00 C ATOM 0 H THR A 33 -6.642 -18.269 3.969 1.00 0.00 H new ATOM 0 HA THR A 33 -7.989 -17.022 1.696 1.00 0.00 H new ATOM 0 HB THR A 33 -10.115 -16.984 3.163 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.268 -18.848 4.574 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.885 -19.160 2.287 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.958 -18.252 1.069 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.199 -19.609 1.934 1.00 0.00 H new ATOM 448 N THR A 34 -6.520 -15.702 3.847 1.00 0.00 N ATOM 449 CA THR A 34 -6.156 -14.517 4.613 1.00 0.00 C ATOM 450 C THR A 34 -4.920 -13.842 4.032 1.00 0.00 C ATOM 451 O THR A 34 -3.847 -14.442 3.969 1.00 0.00 O ATOM 452 CB THR A 34 -5.891 -14.863 6.092 1.00 0.00 C ATOM 453 OG1 THR A 34 -6.449 -16.145 6.402 1.00 0.00 O ATOM 454 CG2 THR A 34 -6.490 -13.808 7.010 1.00 0.00 C ATOM 0 H THR A 34 -5.728 -16.274 3.553 1.00 0.00 H new ATOM 0 HA THR A 34 -7.001 -13.832 4.553 1.00 0.00 H new ATOM 0 HB THR A 34 -4.813 -14.889 6.249 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.275 -16.359 7.343 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.290 -14.073 8.048 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.043 -12.839 6.791 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.567 -13.755 6.850 1.00 0.00 H new ATOM 462 N ILE A 35 -5.076 -12.592 3.609 1.00 0.00 N ATOM 463 CA ILE A 35 -3.971 -11.837 3.034 1.00 0.00 C ATOM 464 C ILE A 35 -3.568 -10.677 3.938 1.00 0.00 C ATOM 465 O ILE A 35 -4.275 -10.343 4.890 1.00 0.00 O ATOM 466 CB ILE A 35 -4.330 -11.285 1.641 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.488 -10.293 1.744 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.683 -12.424 0.697 1.00 0.00 C ATOM 469 CD1 ILE A 35 -5.786 -9.574 0.448 1.00 0.00 C ATOM 0 H ILE A 35 -5.958 -12.081 3.654 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.134 -12.528 2.938 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.463 -10.760 1.239 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.383 -10.824 2.069 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.257 -9.556 2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.935 -12.019 -0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.831 -13.097 0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.537 -12.973 1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.619 -8.887 0.596 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.906 -9.014 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.049 -10.302 -0.320 1.00 0.00 H new ATOM 481 N LEU A 36 -2.429 -10.065 3.635 1.00 0.00 N ATOM 482 CA LEU A 36 -1.932 -8.940 4.419 1.00 0.00 C ATOM 483 C LEU A 36 -1.445 -7.815 3.511 1.00 0.00 C ATOM 484 O LEU A 36 -0.557 -8.013 2.683 1.00 0.00 O ATOM 485 CB LEU A 36 -0.797 -9.397 5.339 1.00 0.00 C ATOM 486 CG LEU A 36 -0.431 -8.442 6.476 1.00 0.00 C ATOM 487 CD1 LEU A 36 0.025 -9.222 7.700 1.00 0.00 C ATOM 488 CD2 LEU A 36 0.648 -7.468 6.030 1.00 0.00 C ATOM 0 H LEU A 36 -1.832 -10.329 2.851 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.754 -8.560 5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.072 -10.358 5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.092 -9.564 4.731 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.319 -7.869 6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.282 -8.527 8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.779 -9.878 8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.900 -9.821 7.445 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.895 -6.797 6.853 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.539 -8.022 5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.285 -6.886 5.183 1.00 0.00 H new ATOM 500 N VAL A 37 -2.032 -6.634 3.675 1.00 0.00 N ATOM 501 CA VAL A 37 -1.655 -5.476 2.871 1.00 0.00 C ATOM 502 C VAL A 37 -0.955 -4.423 3.721 1.00 0.00 C ATOM 503 O VAL A 37 -1.537 -3.886 4.665 1.00 0.00 O ATOM 504 CB VAL A 37 -2.884 -4.840 2.194 1.00 0.00 C ATOM 505 CG1 VAL A 37 -2.454 -3.757 1.216 1.00 0.00 C ATOM 506 CG2 VAL A 37 -3.715 -5.904 1.493 1.00 0.00 C ATOM 0 H VAL A 37 -2.769 -6.453 4.356 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.970 -5.833 2.102 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.502 -4.377 2.963 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.335 -3.319 0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.904 -2.982 1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.814 -4.193 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.579 -5.438 1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.108 -6.398 0.734 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.054 -6.640 2.222 1.00 0.00 H new ATOM 516 N GLN A 38 0.296 -4.130 3.381 1.00 0.00 N ATOM 517 CA GLN A 38 1.076 -3.140 4.113 1.00 0.00 C ATOM 518 C GLN A 38 1.595 -2.056 3.177 1.00 0.00 C ATOM 519 O GLN A 38 2.106 -2.348 2.094 1.00 0.00 O ATOM 520 CB GLN A 38 2.246 -3.812 4.833 1.00 0.00 C ATOM 521 CG GLN A 38 3.166 -4.589 3.905 1.00 0.00 C ATOM 522 CD GLN A 38 4.443 -5.036 4.589 1.00 0.00 C ATOM 523 OE1 GLN A 38 5.536 -4.899 4.038 1.00 0.00 O ATOM 524 NE2 GLN A 38 4.311 -5.575 5.796 1.00 0.00 N ATOM 0 H GLN A 38 0.791 -4.565 2.602 1.00 0.00 H new ATOM 0 HA GLN A 38 0.423 -2.674 4.852 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.827 -3.051 5.353 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.854 -4.488 5.593 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.638 -5.463 3.524 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.417 -3.968 3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.385 -5.669 6.214 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.135 -5.895 6.305 1.00 0.00 H new ATOM 533 N TRP A 39 1.461 -0.802 3.597 1.00 0.00 N ATOM 534 CA TRP A 39 1.919 0.326 2.796 1.00 0.00 C ATOM 535 C TRP A 39 2.525 1.412 3.678 1.00 0.00 C ATOM 536 O TRP A 39 2.516 1.306 4.905 1.00 0.00 O ATOM 537 CB TRP A 39 0.757 0.903 1.981 1.00 0.00 C ATOM 538 CG TRP A 39 -0.356 1.436 2.830 1.00 0.00 C ATOM 539 CD1 TRP A 39 -0.449 2.689 3.368 1.00 0.00 C ATOM 540 CD2 TRP A 39 -1.533 0.732 3.243 1.00 0.00 C ATOM 541 NE1 TRP A 39 -1.614 2.805 4.088 1.00 0.00 N ATOM 542 CE2 TRP A 39 -2.296 1.620 4.026 1.00 0.00 C ATOM 543 CE3 TRP A 39 -2.017 -0.561 3.024 1.00 0.00 C ATOM 544 CZ2 TRP A 39 -3.516 1.253 4.591 1.00 0.00 C ATOM 545 CZ3 TRP A 39 -3.227 -0.923 3.586 1.00 0.00 C ATOM 546 CH2 TRP A 39 -3.964 -0.019 4.361 1.00 0.00 C ATOM 0 H TRP A 39 1.039 -0.542 4.488 1.00 0.00 H new ATOM 0 HA TRP A 39 2.690 -0.034 2.115 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.132 1.703 1.342 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.364 0.128 1.323 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.285 3.472 3.245 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -1.921 3.640 4.588 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.456 -1.264 2.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.087 1.948 5.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.610 -1.920 3.425 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.906 -0.333 4.786 1.00 0.00 H new ATOM 557 N LYS A 40 3.050 2.457 3.047 1.00 0.00 N ATOM 558 CA LYS A 40 3.661 3.563 3.774 1.00 0.00 C ATOM 559 C LYS A 40 2.952 4.878 3.460 1.00 0.00 C ATOM 560 O LYS A 40 2.001 4.908 2.680 1.00 0.00 O ATOM 561 CB LYS A 40 5.145 3.675 3.423 1.00 0.00 C ATOM 562 CG LYS A 40 6.023 2.685 4.172 1.00 0.00 C ATOM 563 CD LYS A 40 5.975 2.921 5.672 1.00 0.00 C ATOM 564 CE LYS A 40 7.318 3.396 6.205 1.00 0.00 C ATOM 565 NZ LYS A 40 7.162 4.458 7.237 1.00 0.00 N ATOM 0 H LYS A 40 3.064 2.561 2.032 1.00 0.00 H new ATOM 0 HA LYS A 40 3.562 3.362 4.841 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.269 3.520 2.351 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.486 4.687 3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.696 1.669 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.052 2.772 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.209 3.662 5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.687 1.999 6.177 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.858 2.551 6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.922 3.776 5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.100 4.754 7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.669 5.275 6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.608 4.088 8.035 1.00 0.00 H new ATOM 579 N GLU A 41 3.425 5.959 4.069 1.00 0.00 N ATOM 580 CA GLU A 41 2.835 7.276 3.853 1.00 0.00 C ATOM 581 C GLU A 41 3.297 7.864 2.523 1.00 0.00 C ATOM 582 O GLU A 41 4.350 7.514 1.991 1.00 0.00 O ATOM 583 CB GLU A 41 3.207 8.220 4.998 1.00 0.00 C ATOM 584 CG GLU A 41 2.095 8.413 6.013 1.00 0.00 C ATOM 585 CD GLU A 41 2.586 9.040 7.304 1.00 0.00 C ATOM 586 OE1 GLU A 41 2.947 10.236 7.283 1.00 0.00 O ATOM 587 OE2 GLU A 41 2.611 8.336 8.335 1.00 0.00 O ATOM 0 H GLU A 41 4.214 5.950 4.715 1.00 0.00 H new ATOM 0 HA GLU A 41 1.751 7.162 3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.088 7.830 5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.481 9.190 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.318 9.043 5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.637 7.448 6.233 1.00 0.00 H new ATOM 594 N PRO A 42 2.489 8.782 1.970 1.00 0.00 N ATOM 595 CA PRO A 42 2.791 9.439 0.695 1.00 0.00 C ATOM 596 C PRO A 42 3.969 10.400 0.805 1.00 0.00 C ATOM 597 O PRO A 42 4.465 10.667 1.900 1.00 0.00 O ATOM 598 CB PRO A 42 1.505 10.204 0.376 1.00 0.00 C ATOM 599 CG PRO A 42 0.865 10.439 1.701 1.00 0.00 C ATOM 600 CD PRO A 42 1.216 9.248 2.548 1.00 0.00 C ATOM 0 HA PRO A 42 3.078 8.723 -0.075 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.719 11.144 -0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.854 9.627 -0.281 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.231 11.361 2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.215 10.541 1.600 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.327 9.520 3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.446 8.478 2.498 1.00 0.00 H new ATOM 608 N GLU A 43 4.411 10.921 -0.337 1.00 0.00 N ATOM 609 CA GLU A 43 5.532 11.852 -0.367 1.00 0.00 C ATOM 610 C GLU A 43 5.038 13.296 -0.410 1.00 0.00 C ATOM 611 O GLU A 43 5.741 14.215 0.010 1.00 0.00 O ATOM 612 CB GLU A 43 6.425 11.573 -1.579 1.00 0.00 C ATOM 613 CG GLU A 43 5.664 11.502 -2.891 1.00 0.00 C ATOM 614 CD GLU A 43 6.481 12.006 -4.066 1.00 0.00 C ATOM 615 OE1 GLU A 43 7.030 13.125 -3.970 1.00 0.00 O ATOM 616 OE2 GLU A 43 6.571 11.284 -5.079 1.00 0.00 O ATOM 0 H GLU A 43 4.010 10.714 -1.252 1.00 0.00 H new ATOM 0 HA GLU A 43 6.113 11.710 0.544 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.182 12.354 -1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.952 10.632 -1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.364 10.471 -3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.750 12.090 -2.809 1.00 0.00 H new ATOM 623 N GLU A 44 3.825 13.486 -0.918 1.00 0.00 N ATOM 624 CA GLU A 44 3.237 14.816 -1.017 1.00 0.00 C ATOM 625 C GLU A 44 1.853 14.849 -0.375 1.00 0.00 C ATOM 626 O GLU A 44 0.833 14.997 -1.047 1.00 0.00 O ATOM 627 CB GLU A 44 3.143 15.250 -2.480 1.00 0.00 C ATOM 628 CG GLU A 44 4.367 16.004 -2.972 1.00 0.00 C ATOM 629 CD GLU A 44 4.009 17.190 -3.847 1.00 0.00 C ATOM 630 OE1 GLU A 44 3.008 17.100 -4.588 1.00 0.00 O ATOM 631 OE2 GLU A 44 4.731 18.209 -3.789 1.00 0.00 O ATOM 0 H GLU A 44 3.230 12.735 -1.268 1.00 0.00 H new ATOM 0 HA GLU A 44 3.884 15.511 -0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.996 14.368 -3.103 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.263 15.881 -2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.944 16.351 -2.115 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.007 15.323 -3.533 1.00 0.00 H new ATOM 638 N PRO A 45 1.816 14.707 0.959 1.00 0.00 N ATOM 639 CA PRO A 45 0.564 14.717 1.721 1.00 0.00 C ATOM 640 C PRO A 45 -0.177 16.044 1.601 1.00 0.00 C ATOM 641 O PRO A 45 -1.361 16.076 1.270 1.00 0.00 O ATOM 642 CB PRO A 45 1.026 14.489 3.163 1.00 0.00 C ATOM 643 CG PRO A 45 2.465 14.874 3.165 1.00 0.00 C ATOM 644 CD PRO A 45 2.994 14.527 1.824 1.00 0.00 C ATOM 0 HA PRO A 45 -0.140 13.966 1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.453 15.097 3.863 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.894 13.449 3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.582 15.939 3.365 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.008 14.342 3.946 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.816 15.180 1.531 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.371 13.505 1.789 1.00 0.00 H new ATOM 652 N ASN A 46 0.528 17.137 1.872 1.00 0.00 N ATOM 653 CA ASN A 46 -0.064 18.467 1.795 1.00 0.00 C ATOM 654 C ASN A 46 -1.179 18.627 2.826 1.00 0.00 C ATOM 655 O ASN A 46 -2.083 19.444 2.655 1.00 0.00 O ATOM 656 CB ASN A 46 -0.612 18.724 0.390 1.00 0.00 C ATOM 657 CG ASN A 46 0.353 18.286 -0.694 1.00 0.00 C ATOM 658 OD1 ASN A 46 1.528 18.653 -0.680 1.00 0.00 O ATOM 659 ND2 ASN A 46 -0.141 17.499 -1.643 1.00 0.00 N ATOM 0 H ASN A 46 1.510 17.128 2.147 1.00 0.00 H new ATOM 0 HA ASN A 46 0.715 19.197 2.012 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.556 18.194 0.268 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.826 19.787 0.275 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.460 17.174 -2.400 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.122 17.220 -1.615 1.00 0.00 H new ATOM 666 N GLY A 47 -1.106 17.842 3.896 1.00 0.00 N ATOM 667 CA GLY A 47 -2.113 17.913 4.938 1.00 0.00 C ATOM 668 C GLY A 47 -2.075 16.713 5.863 1.00 0.00 C ATOM 669 O GLY A 47 -1.445 15.701 5.552 1.00 0.00 O ATOM 0 H GLY A 47 -0.367 17.158 4.060 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.965 18.822 5.521 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.100 17.985 4.481 1.00 0.00 H new ATOM 673 N GLN A 48 -2.749 16.824 7.003 1.00 0.00 N ATOM 674 CA GLN A 48 -2.788 15.740 7.977 1.00 0.00 C ATOM 675 C GLN A 48 -3.666 14.595 7.484 1.00 0.00 C ATOM 676 O GLN A 48 -4.889 14.724 7.414 1.00 0.00 O ATOM 677 CB GLN A 48 -3.305 16.252 9.322 1.00 0.00 C ATOM 678 CG GLN A 48 -2.357 15.985 10.480 1.00 0.00 C ATOM 679 CD GLN A 48 -2.663 16.839 11.694 1.00 0.00 C ATOM 680 OE1 GLN A 48 -2.356 18.032 11.724 1.00 0.00 O ATOM 681 NE2 GLN A 48 -3.274 16.233 12.707 1.00 0.00 N ATOM 0 H GLN A 48 -3.276 17.654 7.275 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.773 15.365 8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.483 17.325 9.249 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.266 15.783 9.535 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.416 14.932 10.757 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.333 16.173 10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.511 15.243 12.641 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.506 16.758 13.550 1.00 0.00 H new ATOM 690 N ILE A 49 -3.036 13.477 7.141 1.00 0.00 N ATOM 691 CA ILE A 49 -3.761 12.310 6.656 1.00 0.00 C ATOM 692 C ILE A 49 -4.800 11.845 7.672 1.00 0.00 C ATOM 693 O ILE A 49 -4.500 11.700 8.856 1.00 0.00 O ATOM 694 CB ILE A 49 -2.807 11.143 6.344 1.00 0.00 C ATOM 695 CG1 ILE A 49 -1.746 11.580 5.330 1.00 0.00 C ATOM 696 CG2 ILE A 49 -3.586 9.946 5.821 1.00 0.00 C ATOM 697 CD1 ILE A 49 -2.317 11.947 3.979 1.00 0.00 C ATOM 0 H ILE A 49 -2.025 13.355 7.190 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.264 12.612 5.738 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.304 10.849 7.265 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.203 12.436 5.731 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.023 10.775 5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.897 9.130 5.605 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.306 9.624 6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.114 10.226 4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.509 12.247 3.312 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.836 11.086 3.557 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.019 12.773 4.093 1.00 0.00 H new ATOM 709 N GLN A 50 -6.019 11.611 7.199 1.00 0.00 N ATOM 710 CA GLN A 50 -7.101 11.162 8.066 1.00 0.00 C ATOM 711 C GLN A 50 -7.285 9.651 7.968 1.00 0.00 C ATOM 712 O GLN A 50 -7.794 9.016 8.890 1.00 0.00 O ATOM 713 CB GLN A 50 -8.406 11.871 7.701 1.00 0.00 C ATOM 714 CG GLN A 50 -8.327 13.386 7.814 1.00 0.00 C ATOM 715 CD GLN A 50 -8.208 13.857 9.252 1.00 0.00 C ATOM 716 OE1 GLN A 50 -8.234 13.055 10.184 1.00 0.00 O ATOM 717 NE2 GLN A 50 -8.076 15.166 9.435 1.00 0.00 N ATOM 0 H GLN A 50 -6.282 11.725 6.220 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.836 11.412 9.093 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.681 11.605 6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -9.202 11.507 8.351 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.469 13.745 7.245 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.216 13.827 7.363 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.059 15.794 8.632 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.991 15.543 10.379 1.00 0.00 H new ATOM 726 N GLY A 51 -6.869 9.080 6.841 1.00 0.00 N ATOM 727 CA GLY A 51 -6.998 7.650 6.642 1.00 0.00 C ATOM 728 C GLY A 51 -6.581 7.217 5.250 1.00 0.00 C ATOM 729 O GLY A 51 -6.150 8.039 4.441 1.00 0.00 O ATOM 0 H GLY A 51 -6.445 9.584 6.062 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.388 7.127 7.379 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.032 7.354 6.816 1.00 0.00 H new ATOM 733 N TYR A 52 -6.707 5.925 4.971 1.00 0.00 N ATOM 734 CA TYR A 52 -6.336 5.385 3.668 1.00 0.00 C ATOM 735 C TYR A 52 -7.393 4.409 3.162 1.00 0.00 C ATOM 736 O TYR A 52 -8.089 3.765 3.949 1.00 0.00 O ATOM 737 CB TYR A 52 -4.978 4.683 3.752 1.00 0.00 C ATOM 738 CG TYR A 52 -3.896 5.532 4.382 1.00 0.00 C ATOM 739 CD1 TYR A 52 -3.722 5.557 5.760 1.00 0.00 C ATOM 740 CD2 TYR A 52 -3.051 6.308 3.601 1.00 0.00 C ATOM 741 CE1 TYR A 52 -2.735 6.331 6.342 1.00 0.00 C ATOM 742 CE2 TYR A 52 -2.061 7.085 4.173 1.00 0.00 C ATOM 743 CZ TYR A 52 -1.908 7.091 5.543 1.00 0.00 C ATOM 744 OH TYR A 52 -0.924 7.864 6.117 1.00 0.00 O ATOM 0 H TYR A 52 -7.063 5.232 5.629 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.267 6.215 2.965 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.088 3.764 4.327 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.664 4.395 2.749 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.369 4.962 6.388 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.169 6.305 2.527 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.613 6.340 7.415 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.412 7.683 3.551 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.621 7.443 6.949 1.00 0.00 H new ATOM 754 N ARG A 53 -7.509 4.305 1.842 1.00 0.00 N ATOM 755 CA ARG A 53 -8.482 3.409 1.228 1.00 0.00 C ATOM 756 C ARG A 53 -7.783 2.298 0.451 1.00 0.00 C ATOM 757 O ARG A 53 -6.891 2.558 -0.357 1.00 0.00 O ATOM 758 CB ARG A 53 -9.411 4.191 0.297 1.00 0.00 C ATOM 759 CG ARG A 53 -10.160 5.317 0.991 1.00 0.00 C ATOM 760 CD ARG A 53 -10.394 6.491 0.053 1.00 0.00 C ATOM 761 NE ARG A 53 -11.494 6.240 -0.874 1.00 0.00 N ATOM 762 CZ ARG A 53 -12.772 6.230 -0.512 1.00 0.00 C ATOM 763 NH1 ARG A 53 -13.110 6.454 0.751 1.00 0.00 N ATOM 764 NH2 ARG A 53 -13.717 5.994 -1.414 1.00 0.00 N ATOM 0 H ARG A 53 -6.941 4.830 1.177 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.074 2.956 2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.825 4.607 -0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.133 3.503 -0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.117 4.947 1.358 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -9.593 5.651 1.860 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.610 7.385 0.638 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.483 6.691 -0.511 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.269 6.063 -1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.387 6.635 1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.092 6.446 1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.462 5.820 -2.386 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.698 5.987 -1.135 1.00 0.00 H new ATOM 778 N VAL A 54 -8.194 1.059 0.700 1.00 0.00 N ATOM 779 CA VAL A 54 -7.608 -0.092 0.023 1.00 0.00 C ATOM 780 C VAL A 54 -8.638 -0.800 -0.849 1.00 0.00 C ATOM 781 O VAL A 54 -9.686 -1.230 -0.366 1.00 0.00 O ATOM 782 CB VAL A 54 -7.027 -1.101 1.032 1.00 0.00 C ATOM 783 CG1 VAL A 54 -6.427 -2.297 0.308 1.00 0.00 C ATOM 784 CG2 VAL A 54 -5.989 -0.429 1.919 1.00 0.00 C ATOM 0 H VAL A 54 -8.931 0.826 1.366 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.803 0.288 -0.606 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.837 -1.460 1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.022 -2.998 1.038 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.200 -2.792 -0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.629 -1.959 -0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.589 -1.156 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.180 -0.040 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.454 0.391 2.466 1.00 0.00 H new ATOM 794 N TYR A 55 -8.333 -0.918 -2.138 1.00 0.00 N ATOM 795 CA TYR A 55 -9.234 -1.571 -3.078 1.00 0.00 C ATOM 796 C TYR A 55 -8.802 -3.011 -3.336 1.00 0.00 C ATOM 797 O TYR A 55 -7.615 -3.296 -3.496 1.00 0.00 O ATOM 798 CB TYR A 55 -9.277 -0.796 -4.397 1.00 0.00 C ATOM 799 CG TYR A 55 -9.937 0.558 -4.282 1.00 0.00 C ATOM 800 CD1 TYR A 55 -9.349 1.578 -3.544 1.00 0.00 C ATOM 801 CD2 TYR A 55 -11.148 0.821 -4.909 1.00 0.00 C ATOM 802 CE1 TYR A 55 -9.948 2.819 -3.435 1.00 0.00 C ATOM 803 CE2 TYR A 55 -11.755 2.057 -4.808 1.00 0.00 C ATOM 804 CZ TYR A 55 -11.150 3.053 -4.070 1.00 0.00 C ATOM 805 OH TYR A 55 -11.751 4.287 -3.964 1.00 0.00 O ATOM 0 H TYR A 55 -7.469 -0.570 -2.554 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.231 -1.583 -2.638 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.259 -0.665 -4.765 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.810 -1.389 -5.140 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.407 1.398 -3.047 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.624 0.043 -5.487 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.478 3.600 -2.856 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -12.697 2.243 -5.303 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.107 4.553 -4.837 1.00 0.00 H new ATOM 815 N TYR A 56 -9.773 -3.916 -3.375 1.00 0.00 N ATOM 816 CA TYR A 56 -9.495 -5.328 -3.610 1.00 0.00 C ATOM 817 C TYR A 56 -10.749 -6.059 -4.080 1.00 0.00 C ATOM 818 O TYR A 56 -11.803 -5.980 -3.450 1.00 0.00 O ATOM 819 CB TYR A 56 -8.957 -5.982 -2.336 1.00 0.00 C ATOM 820 CG TYR A 56 -9.943 -5.978 -1.191 1.00 0.00 C ATOM 821 CD1 TYR A 56 -10.124 -4.845 -0.407 1.00 0.00 C ATOM 822 CD2 TYR A 56 -10.694 -7.107 -0.890 1.00 0.00 C ATOM 823 CE1 TYR A 56 -11.024 -4.837 0.641 1.00 0.00 C ATOM 824 CE2 TYR A 56 -11.597 -7.108 0.156 1.00 0.00 C ATOM 825 CZ TYR A 56 -11.759 -5.970 0.918 1.00 0.00 C ATOM 826 OH TYR A 56 -12.655 -5.966 1.962 1.00 0.00 O ATOM 0 H TYR A 56 -10.761 -3.697 -3.247 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.740 -5.398 -4.393 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.674 -7.011 -2.557 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.051 -5.462 -2.026 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.551 -3.955 -0.621 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -10.570 -8.000 -1.484 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -11.151 -3.948 1.240 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -12.173 -7.995 0.376 1.00 0.00 H new ATOM 0 HH TYR A 56 -13.092 -6.841 2.022 1.00 0.00 H new ATOM 836 N THR A 57 -10.625 -6.773 -5.196 1.00 0.00 N ATOM 837 CA THR A 57 -11.747 -7.518 -5.754 1.00 0.00 C ATOM 838 C THR A 57 -11.261 -8.691 -6.596 1.00 0.00 C ATOM 839 O THR A 57 -10.152 -8.669 -7.129 1.00 0.00 O ATOM 840 CB THR A 57 -12.647 -6.616 -6.620 1.00 0.00 C ATOM 841 OG1 THR A 57 -13.819 -7.334 -7.020 1.00 0.00 O ATOM 842 CG2 THR A 57 -11.899 -6.127 -7.851 1.00 0.00 C ATOM 0 H THR A 57 -9.759 -6.851 -5.730 1.00 0.00 H new ATOM 0 HA THR A 57 -12.328 -7.894 -4.912 1.00 0.00 H new ATOM 0 HB THR A 57 -12.938 -5.750 -6.025 1.00 0.00 H new ATOM 0 HG1 THR A 57 -14.476 -7.318 -6.293 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.555 -5.492 -8.447 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.024 -5.556 -7.542 1.00 0.00 H new ATOM 0 HG23 THR A 57 -11.582 -6.982 -8.448 1.00 0.00 H new ATOM 850 N MET A 58 -12.100 -9.716 -6.716 1.00 0.00 N ATOM 851 CA MET A 58 -11.756 -10.898 -7.497 1.00 0.00 C ATOM 852 C MET A 58 -12.090 -10.692 -8.971 1.00 0.00 C ATOM 853 O MET A 58 -11.626 -11.440 -9.833 1.00 0.00 O ATOM 854 CB MET A 58 -12.497 -12.123 -6.960 1.00 0.00 C ATOM 855 CG MET A 58 -13.994 -12.094 -7.227 1.00 0.00 C ATOM 856 SD MET A 58 -14.929 -13.095 -6.055 1.00 0.00 S ATOM 857 CE MET A 58 -13.978 -14.612 -6.073 1.00 0.00 C ATOM 0 H MET A 58 -13.022 -9.751 -6.282 1.00 0.00 H new ATOM 0 HA MET A 58 -10.682 -11.063 -7.406 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.073 -13.020 -7.411 1.00 0.00 H new ATOM 0 HB3 MET A 58 -12.329 -12.197 -5.885 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.347 -11.064 -7.181 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.186 -12.452 -8.238 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.480 -15.364 -5.464 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.890 -14.974 -7.097 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.984 -14.423 -5.669 1.00 0.00 H new ATOM 867 N ASP A 59 -12.896 -9.674 -9.253 1.00 0.00 N ATOM 868 CA ASP A 59 -13.291 -9.370 -10.623 1.00 0.00 C ATOM 869 C ASP A 59 -12.686 -8.047 -11.082 1.00 0.00 C ATOM 870 O ASP A 59 -13.350 -7.012 -11.118 1.00 0.00 O ATOM 871 CB ASP A 59 -14.816 -9.314 -10.738 1.00 0.00 C ATOM 872 CG ASP A 59 -15.485 -10.548 -10.165 1.00 0.00 C ATOM 873 OD1 ASP A 59 -15.759 -10.564 -8.946 1.00 0.00 O ATOM 874 OD2 ASP A 59 -15.735 -11.498 -10.935 1.00 0.00 O ATOM 0 H ASP A 59 -13.288 -9.046 -8.551 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.915 -10.165 -11.267 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.185 -8.430 -10.218 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.095 -9.207 -11.786 1.00 0.00 H new ATOM 879 N PRO A 60 -11.393 -8.080 -11.441 1.00 0.00 N ATOM 880 CA PRO A 60 -10.670 -6.893 -11.902 1.00 0.00 C ATOM 881 C PRO A 60 -11.139 -6.424 -13.276 1.00 0.00 C ATOM 882 O PRO A 60 -10.747 -5.357 -13.749 1.00 0.00 O ATOM 883 CB PRO A 60 -9.216 -7.366 -11.967 1.00 0.00 C ATOM 884 CG PRO A 60 -9.306 -8.840 -12.160 1.00 0.00 C ATOM 885 CD PRO A 60 -10.540 -9.280 -11.421 1.00 0.00 C ATOM 0 HA PRO A 60 -10.826 -6.040 -11.242 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.681 -6.891 -12.790 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -8.678 -7.119 -11.052 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.375 -9.092 -13.218 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.419 -9.339 -11.770 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.023 -10.125 -11.912 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.309 -9.592 -10.403 1.00 0.00 H new ATOM 941 N VAL A 64 -11.719 0.185 -11.196 1.00 0.00 N ATOM 942 CA VAL A 64 -11.368 0.272 -9.783 1.00 0.00 C ATOM 943 C VAL A 64 -12.486 0.926 -8.979 1.00 0.00 C ATOM 944 O VAL A 64 -12.810 0.488 -7.877 1.00 0.00 O ATOM 945 CB VAL A 64 -10.066 1.069 -9.575 1.00 0.00 C ATOM 946 CG1 VAL A 64 -9.630 1.008 -8.120 1.00 0.00 C ATOM 947 CG2 VAL A 64 -8.971 0.547 -10.493 1.00 0.00 C ATOM 0 HA VAL A 64 -11.220 -0.749 -9.430 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.253 2.112 -9.828 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.709 1.576 -7.992 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.410 1.434 -7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.458 -0.030 -7.835 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.058 1.121 -10.333 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -8.782 -0.504 -10.273 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.287 0.649 -11.531 1.00 0.00 H new ATOM 957 N ASN A 65 -13.072 1.981 -9.538 1.00 0.00 N ATOM 958 CA ASN A 65 -14.153 2.698 -8.874 1.00 0.00 C ATOM 959 C ASN A 65 -15.296 1.750 -8.521 1.00 0.00 C ATOM 960 O ASN A 65 -16.063 2.005 -7.593 1.00 0.00 O ATOM 961 CB ASN A 65 -14.669 3.828 -9.767 1.00 0.00 C ATOM 962 CG ASN A 65 -14.575 5.184 -9.095 1.00 0.00 C ATOM 963 OD1 ASN A 65 -15.590 5.803 -8.777 1.00 0.00 O ATOM 964 ND2 ASN A 65 -13.352 5.651 -8.874 1.00 0.00 N ATOM 0 H ASN A 65 -12.815 2.358 -10.450 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.760 3.125 -7.952 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.097 3.845 -10.695 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.707 3.630 -10.036 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.226 6.557 -8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.539 5.103 -9.155 1.00 0.00 H new ATOM 971 N ASN A 66 -15.403 0.657 -9.269 1.00 0.00 N ATOM 972 CA ASN A 66 -16.454 -0.328 -9.036 1.00 0.00 C ATOM 973 C ASN A 66 -16.002 -1.373 -8.020 1.00 0.00 C ATOM 974 O ASN A 66 -16.826 -2.018 -7.370 1.00 0.00 O ATOM 975 CB ASN A 66 -16.840 -1.012 -10.350 1.00 0.00 C ATOM 976 CG ASN A 66 -18.090 -1.862 -10.213 1.00 0.00 C ATOM 977 OD1 ASN A 66 -19.209 -1.350 -10.249 1.00 0.00 O ATOM 978 ND2 ASN A 66 -17.903 -3.166 -10.053 1.00 0.00 N ATOM 0 H ASN A 66 -14.776 0.431 -10.041 1.00 0.00 H new ATOM 0 HA ASN A 66 -17.324 0.192 -8.635 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -17.001 -0.255 -11.117 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -16.014 -1.637 -10.688 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -18.705 -3.788 -9.954 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -16.957 -3.546 -10.029 1.00 0.00 H new ATOM 985 N TRP A 67 -14.691 -1.534 -7.887 1.00 0.00 N ATOM 986 CA TRP A 67 -14.131 -2.499 -6.949 1.00 0.00 C ATOM 987 C TRP A 67 -14.588 -2.203 -5.525 1.00 0.00 C ATOM 988 O TRP A 67 -15.415 -1.322 -5.300 1.00 0.00 O ATOM 989 CB TRP A 67 -12.603 -2.485 -7.021 1.00 0.00 C ATOM 990 CG TRP A 67 -12.066 -2.933 -8.347 1.00 0.00 C ATOM 991 CD1 TRP A 67 -12.788 -3.198 -9.475 1.00 0.00 C ATOM 992 CD2 TRP A 67 -10.695 -3.172 -8.679 1.00 0.00 C ATOM 993 NE1 TRP A 67 -11.947 -3.586 -10.491 1.00 0.00 N ATOM 994 CE2 TRP A 67 -10.657 -3.577 -10.029 1.00 0.00 C ATOM 995 CE3 TRP A 67 -9.494 -3.079 -7.970 1.00 0.00 C ATOM 996 CZ2 TRP A 67 -9.467 -3.891 -10.678 1.00 0.00 C ATOM 997 CZ3 TRP A 67 -8.313 -3.390 -8.617 1.00 0.00 C ATOM 998 CH2 TRP A 67 -8.306 -3.791 -9.960 1.00 0.00 C ATOM 0 H TRP A 67 -13.996 -1.009 -8.417 1.00 0.00 H new ATOM 0 HA TRP A 67 -14.491 -3.489 -7.228 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.246 -1.476 -6.815 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -12.204 -3.130 -6.239 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -13.862 -3.115 -9.557 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -12.236 -3.839 -11.436 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.489 -2.770 -6.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -9.460 -4.203 -11.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.379 -3.323 -8.078 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -7.366 -4.026 -10.438 1.00 0.00 H new ATOM 1009 N MET A 68 -14.044 -2.946 -4.567 1.00 0.00 N ATOM 1010 CA MET A 68 -14.395 -2.761 -3.164 1.00 0.00 C ATOM 1011 C MET A 68 -13.452 -1.766 -2.493 1.00 0.00 C ATOM 1012 O MET A 68 -12.451 -1.354 -3.078 1.00 0.00 O ATOM 1013 CB MET A 68 -14.353 -4.099 -2.424 1.00 0.00 C ATOM 1014 CG MET A 68 -15.454 -5.060 -2.842 1.00 0.00 C ATOM 1015 SD MET A 68 -14.844 -6.412 -3.869 1.00 0.00 S ATOM 1016 CE MET A 68 -14.137 -7.488 -2.624 1.00 0.00 C ATOM 0 H MET A 68 -13.358 -3.682 -4.737 1.00 0.00 H new ATOM 0 HA MET A 68 -15.408 -2.361 -3.120 1.00 0.00 H new ATOM 0 HB2 MET A 68 -13.386 -4.570 -2.597 1.00 0.00 H new ATOM 0 HB3 MET A 68 -14.430 -3.915 -1.352 1.00 0.00 H new ATOM 0 HG2 MET A 68 -15.929 -5.471 -1.951 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.221 -4.512 -3.388 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.521 -8.247 -3.106 1.00 0.00 H new ATOM 0 HE2 MET A 68 -13.522 -6.901 -1.943 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.937 -7.972 -2.064 1.00 0.00 H new ATOM 1026 N LYS A 69 -13.780 -1.384 -1.263 1.00 0.00 N ATOM 1027 CA LYS A 69 -12.963 -0.438 -0.513 1.00 0.00 C ATOM 1028 C LYS A 69 -12.985 -0.762 0.977 1.00 0.00 C ATOM 1029 O LYS A 69 -13.963 -1.308 1.489 1.00 0.00 O ATOM 1030 CB LYS A 69 -13.460 0.991 -0.742 1.00 0.00 C ATOM 1031 CG LYS A 69 -13.835 1.281 -2.186 1.00 0.00 C ATOM 1032 CD LYS A 69 -14.086 2.762 -2.409 1.00 0.00 C ATOM 1033 CE LYS A 69 -14.658 3.027 -3.794 1.00 0.00 C ATOM 1034 NZ LYS A 69 -15.994 3.681 -3.728 1.00 0.00 N ATOM 0 H LYS A 69 -14.606 -1.715 -0.765 1.00 0.00 H new ATOM 0 HA LYS A 69 -11.936 -0.521 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.327 1.171 -0.107 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.685 1.691 -0.429 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.036 0.943 -2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.728 0.715 -2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.776 3.133 -1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.153 3.313 -2.288 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.971 3.661 -4.355 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.741 2.086 -4.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -16.349 3.844 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.657 3.065 -3.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.911 4.591 -3.231 1.00 0.00 H new ATOM 1048 N HIS A 70 -11.903 -0.422 1.670 1.00 0.00 N ATOM 1049 CA HIS A 70 -11.800 -0.676 3.102 1.00 0.00 C ATOM 1050 C HIS A 70 -11.790 0.633 3.887 1.00 0.00 C ATOM 1051 O HIS A 70 -11.960 1.710 3.316 1.00 0.00 O ATOM 1052 CB HIS A 70 -10.535 -1.477 3.409 1.00 0.00 C ATOM 1053 CG HIS A 70 -10.786 -2.690 4.253 1.00 0.00 C ATOM 1054 ND1 HIS A 70 -11.788 -2.756 5.198 1.00 0.00 N ATOM 1055 CD2 HIS A 70 -10.156 -3.887 4.290 1.00 0.00 C ATOM 1056 CE1 HIS A 70 -11.765 -3.941 5.779 1.00 0.00 C ATOM 1057 NE2 HIS A 70 -10.784 -4.647 5.246 1.00 0.00 N ATOM 0 H HIS A 70 -11.085 0.030 1.262 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.671 -1.255 3.407 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.073 -1.786 2.471 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.820 -0.831 3.919 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.316 -4.188 3.681 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -12.434 -4.276 6.558 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.534 -5.602 5.503 1.00 0.00 H new ATOM 1065 N ASN A 71 -11.592 0.531 5.196 1.00 0.00 N ATOM 1066 CA ASN A 71 -11.561 1.707 6.058 1.00 0.00 C ATOM 1067 C ASN A 71 -10.569 1.518 7.202 1.00 0.00 C ATOM 1068 O ASN A 71 -10.754 0.657 8.062 1.00 0.00 O ATOM 1069 CB ASN A 71 -12.957 1.989 6.620 1.00 0.00 C ATOM 1070 CG ASN A 71 -13.592 0.757 7.234 1.00 0.00 C ATOM 1071 OD1 ASN A 71 -13.354 0.437 8.399 1.00 0.00 O ATOM 1072 ND2 ASN A 71 -14.406 0.059 6.451 1.00 0.00 N ATOM 0 H ASN A 71 -11.451 -0.354 5.684 1.00 0.00 H new ATOM 0 HA ASN A 71 -11.238 2.558 5.458 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.891 2.774 7.373 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -13.598 2.366 5.823 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -14.863 -0.780 6.809 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.574 0.361 5.491 1.00 0.00 H new ATOM 1079 N VAL A 72 -9.516 2.328 7.205 1.00 0.00 N ATOM 1080 CA VAL A 72 -8.495 2.251 8.244 1.00 0.00 C ATOM 1081 C VAL A 72 -8.404 3.560 9.021 1.00 0.00 C ATOM 1082 O VAL A 72 -9.115 4.520 8.727 1.00 0.00 O ATOM 1083 CB VAL A 72 -7.114 1.923 7.649 1.00 0.00 C ATOM 1084 CG1 VAL A 72 -6.978 0.427 7.406 1.00 0.00 C ATOM 1085 CG2 VAL A 72 -6.888 2.703 6.362 1.00 0.00 C ATOM 0 H VAL A 72 -9.347 3.045 6.500 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.790 1.449 8.921 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.350 2.221 8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.995 0.215 6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.092 -0.107 8.350 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.750 0.100 6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.907 2.458 5.956 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.657 2.439 5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.938 3.772 6.571 1.00 0.00 H new ATOM 1095 N ALA A 73 -7.522 3.589 10.016 1.00 0.00 N ATOM 1096 CA ALA A 73 -7.335 4.781 10.835 1.00 0.00 C ATOM 1097 C ALA A 73 -5.871 4.954 11.226 1.00 0.00 C ATOM 1098 O ALA A 73 -5.506 4.781 12.389 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.212 4.709 12.077 1.00 0.00 C ATOM 0 H ALA A 73 -6.927 2.802 10.274 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.630 5.649 10.245 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.063 5.605 12.680 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.259 4.641 11.780 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.943 3.829 12.662 1.00 0.00 H new ATOM 1105 N ASP A 74 -5.038 5.293 10.248 1.00 0.00 N ATOM 1106 CA ASP A 74 -3.615 5.488 10.491 1.00 0.00 C ATOM 1107 C ASP A 74 -2.955 4.188 10.939 1.00 0.00 C ATOM 1108 O ASP A 74 -2.178 4.171 11.895 1.00 0.00 O ATOM 1109 CB ASP A 74 -3.400 6.574 11.546 1.00 0.00 C ATOM 1110 CG ASP A 74 -2.104 7.333 11.343 1.00 0.00 C ATOM 1111 OD1 ASP A 74 -2.089 8.272 10.521 1.00 0.00 O ATOM 1112 OD2 ASP A 74 -1.103 6.987 12.006 1.00 0.00 O ATOM 0 H ASP A 74 -5.325 5.438 9.280 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.153 5.804 9.556 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.235 7.274 11.518 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.399 6.119 12.536 1.00 0.00 H new ATOM 1117 N SER A 75 -3.272 3.100 10.245 1.00 0.00 N ATOM 1118 CA SER A 75 -2.714 1.794 10.575 1.00 0.00 C ATOM 1119 C SER A 75 -1.586 1.426 9.615 1.00 0.00 C ATOM 1120 O SER A 75 -0.616 0.775 10.002 1.00 0.00 O ATOM 1121 CB SER A 75 -3.807 0.723 10.530 1.00 0.00 C ATOM 1122 OG SER A 75 -4.405 0.552 11.803 1.00 0.00 O ATOM 0 H SER A 75 -3.912 3.097 9.451 1.00 0.00 H new ATOM 0 HA SER A 75 -2.306 1.845 11.584 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.568 1.005 9.802 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.381 -0.223 10.195 1.00 0.00 H new ATOM 0 HG SER A 75 -5.101 -0.136 11.748 1.00 0.00 H new ATOM 1128 N GLN A 76 -1.724 1.848 8.362 1.00 0.00 N ATOM 1129 CA GLN A 76 -0.718 1.562 7.346 1.00 0.00 C ATOM 1130 C GLN A 76 -0.603 0.062 7.100 1.00 0.00 C ATOM 1131 O GLN A 76 0.370 -0.408 6.508 1.00 0.00 O ATOM 1132 CB GLN A 76 0.640 2.127 7.770 1.00 0.00 C ATOM 1133 CG GLN A 76 1.009 3.422 7.065 1.00 0.00 C ATOM 1134 CD GLN A 76 2.375 3.938 7.469 1.00 0.00 C ATOM 1135 OE1 GLN A 76 2.888 4.906 6.718 1.00 0.00 O flip ATOM 1136 NE2 GLN A 76 2.965 3.472 8.444 1.00 0.00 N flip ATOM 0 H GLN A 76 -2.521 2.388 8.027 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.030 2.041 6.418 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.632 2.299 8.846 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.411 1.383 7.572 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.990 3.262 5.987 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.258 4.180 7.289 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.534 2.729 8.994 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.885 3.829 8.702 1.00 0.00 H new ATOM 1145 N ILE A 77 -1.602 -0.685 7.556 1.00 0.00 N ATOM 1146 CA ILE A 77 -1.614 -2.133 7.383 1.00 0.00 C ATOM 1147 C ILE A 77 -2.995 -2.711 7.673 1.00 0.00 C ATOM 1148 O ILE A 77 -3.637 -2.349 8.661 1.00 0.00 O ATOM 1149 CB ILE A 77 -0.581 -2.817 8.299 1.00 0.00 C ATOM 1150 CG1 ILE A 77 -0.454 -4.300 7.943 1.00 0.00 C ATOM 1151 CG2 ILE A 77 -0.973 -2.648 9.759 1.00 0.00 C ATOM 1152 CD1 ILE A 77 0.736 -4.976 8.586 1.00 0.00 C ATOM 0 H ILE A 77 -2.414 -0.312 8.048 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.353 -2.329 6.343 1.00 0.00 H new ATOM 0 HB ILE A 77 0.388 -2.342 8.147 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.364 -4.818 8.247 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.377 -4.400 6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.233 -3.137 10.393 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.016 -1.587 10.004 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.951 -3.099 9.928 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.763 -6.025 8.290 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.653 -4.484 8.262 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.651 -4.908 9.671 1.00 0.00 H new ATOM 1164 N THR A 78 -3.446 -3.612 6.807 1.00 0.00 N ATOM 1165 CA THR A 78 -4.751 -4.241 6.970 1.00 0.00 C ATOM 1166 C THR A 78 -4.743 -5.669 6.437 1.00 0.00 C ATOM 1167 O THR A 78 -4.152 -5.952 5.396 1.00 0.00 O ATOM 1168 CB THR A 78 -5.854 -3.442 6.249 1.00 0.00 C ATOM 1169 OG1 THR A 78 -7.141 -3.970 6.587 1.00 0.00 O ATOM 1170 CG2 THR A 78 -5.659 -3.491 4.742 1.00 0.00 C ATOM 0 H THR A 78 -2.927 -3.923 5.986 1.00 0.00 H new ATOM 0 HA THR A 78 -4.963 -4.256 8.039 1.00 0.00 H new ATOM 0 HB THR A 78 -5.792 -2.403 6.573 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.837 -3.456 6.126 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.449 -2.920 4.254 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.690 -3.062 4.486 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.698 -4.526 4.404 1.00 0.00 H new ATOM 1178 N THR A 79 -5.406 -6.568 7.158 1.00 0.00 N ATOM 1179 CA THR A 79 -5.476 -7.968 6.760 1.00 0.00 C ATOM 1180 C THR A 79 -6.883 -8.342 6.308 1.00 0.00 C ATOM 1181 O THR A 79 -7.832 -8.280 7.090 1.00 0.00 O ATOM 1182 CB THR A 79 -5.052 -8.902 7.908 1.00 0.00 C ATOM 1183 OG1 THR A 79 -5.412 -8.324 9.167 1.00 0.00 O ATOM 1184 CG2 THR A 79 -3.553 -9.159 7.872 1.00 0.00 C ATOM 0 H THR A 79 -5.903 -6.351 8.022 1.00 0.00 H new ATOM 0 HA THR A 79 -4.784 -8.093 5.927 1.00 0.00 H new ATOM 0 HB THR A 79 -5.570 -9.853 7.783 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.141 -8.925 9.892 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.278 -9.821 8.693 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.287 -9.626 6.924 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.019 -8.214 7.974 1.00 0.00 H new ATOM 1192 N ILE A 80 -7.009 -8.731 5.044 1.00 0.00 N ATOM 1193 CA ILE A 80 -8.302 -9.117 4.490 1.00 0.00 C ATOM 1194 C ILE A 80 -8.445 -10.634 4.435 1.00 0.00 C ATOM 1195 O ILE A 80 -7.480 -11.350 4.175 1.00 0.00 O ATOM 1196 CB ILE A 80 -8.502 -8.542 3.075 1.00 0.00 C ATOM 1197 CG1 ILE A 80 -8.409 -7.016 3.104 1.00 0.00 C ATOM 1198 CG2 ILE A 80 -9.843 -8.986 2.509 1.00 0.00 C ATOM 1199 CD1 ILE A 80 -8.317 -6.391 1.729 1.00 0.00 C ATOM 0 H ILE A 80 -6.233 -8.787 4.384 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.065 -8.706 5.152 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.712 -8.923 2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.283 -6.616 3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.535 -6.724 3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.971 -8.572 1.509 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.874 -10.074 2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.646 -8.630 3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.254 -5.307 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.428 -6.762 1.219 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.203 -6.653 1.150 1.00 0.00 H new ATOM 1211 N GLY A 81 -9.660 -11.118 4.680 1.00 0.00 N ATOM 1212 CA GLY A 81 -9.909 -12.547 4.653 1.00 0.00 C ATOM 1213 C GLY A 81 -11.231 -12.893 3.999 1.00 0.00 C ATOM 1214 O GLY A 81 -11.834 -12.059 3.326 1.00 0.00 O ATOM 0 H GLY A 81 -10.476 -10.545 4.897 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.101 -13.043 4.116 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.899 -12.934 5.672 1.00 0.00 H new ATOM 1218 N ASN A 82 -11.684 -14.126 4.199 1.00 0.00 N ATOM 1219 CA ASN A 82 -12.943 -14.581 3.621 1.00 0.00 C ATOM 1220 C ASN A 82 -12.880 -14.569 2.098 1.00 0.00 C ATOM 1221 O ASN A 82 -13.892 -14.364 1.424 1.00 0.00 O ATOM 1222 CB ASN A 82 -14.097 -13.699 4.104 1.00 0.00 C ATOM 1223 CG ASN A 82 -15.445 -14.376 3.951 1.00 0.00 C ATOM 1224 OD1 ASN A 82 -15.668 -15.466 4.476 1.00 0.00 O ATOM 1225 ND2 ASN A 82 -16.353 -13.729 3.228 1.00 0.00 N ATOM 0 H ASN A 82 -11.198 -14.828 4.757 1.00 0.00 H new ATOM 0 HA ASN A 82 -13.116 -15.606 3.949 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -13.940 -13.441 5.151 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.097 -12.765 3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.279 -14.135 3.090 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.124 -12.827 2.811 1.00 0.00 H new ATOM 1232 N LEU A 83 -11.687 -14.788 1.559 1.00 0.00 N ATOM 1233 CA LEU A 83 -11.489 -14.803 0.114 1.00 0.00 C ATOM 1234 C LEU A 83 -11.469 -16.232 -0.419 1.00 0.00 C ATOM 1235 O LEU A 83 -11.652 -17.189 0.334 1.00 0.00 O ATOM 1236 CB LEU A 83 -10.185 -14.092 -0.252 1.00 0.00 C ATOM 1237 CG LEU A 83 -9.863 -12.827 0.547 1.00 0.00 C ATOM 1238 CD1 LEU A 83 -8.447 -12.356 0.253 1.00 0.00 C ATOM 1239 CD2 LEU A 83 -10.870 -11.729 0.233 1.00 0.00 C ATOM 0 H LEU A 83 -10.840 -14.958 2.102 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.324 -14.275 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.363 -14.796 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.222 -13.830 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.931 -13.062 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.236 -11.456 0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.739 -13.138 0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.350 -12.137 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.627 -10.836 0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.833 -11.495 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.872 -12.068 0.495 1.00 0.00 H new ATOM 1251 N VAL A 84 -11.243 -16.369 -1.722 1.00 0.00 N ATOM 1252 CA VAL A 84 -11.195 -17.682 -2.354 1.00 0.00 C ATOM 1253 C VAL A 84 -9.783 -18.016 -2.822 1.00 0.00 C ATOM 1254 O VAL A 84 -9.102 -17.203 -3.448 1.00 0.00 O ATOM 1255 CB VAL A 84 -12.154 -17.760 -3.558 1.00 0.00 C ATOM 1256 CG1 VAL A 84 -11.817 -16.683 -4.580 1.00 0.00 C ATOM 1257 CG2 VAL A 84 -12.102 -19.141 -4.192 1.00 0.00 C ATOM 0 H VAL A 84 -11.090 -15.588 -2.360 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.506 -18.407 -1.602 1.00 0.00 H new ATOM 0 HB VAL A 84 -13.170 -17.586 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.504 -16.753 -5.423 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.910 -15.700 -4.117 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.795 -16.823 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.785 -19.178 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -11.088 -19.346 -4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -12.396 -19.890 -3.457 1.00 0.00 H new ATOM 1267 N PRO A 85 -9.332 -19.239 -2.511 1.00 0.00 N ATOM 1268 CA PRO A 85 -7.996 -19.710 -2.890 1.00 0.00 C ATOM 1269 C PRO A 85 -7.865 -19.937 -4.392 1.00 0.00 C ATOM 1270 O PRO A 85 -8.865 -20.090 -5.094 1.00 0.00 O ATOM 1271 CB PRO A 85 -7.859 -21.035 -2.134 1.00 0.00 C ATOM 1272 CG PRO A 85 -9.259 -21.501 -1.932 1.00 0.00 C ATOM 1273 CD PRO A 85 -10.090 -20.258 -1.765 1.00 0.00 C ATOM 0 HA PRO A 85 -7.223 -18.982 -2.645 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.279 -21.759 -2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.346 -20.897 -1.182 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.602 -22.088 -2.784 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -9.334 -22.141 -1.053 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.094 -20.388 -2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.202 -19.987 -0.715 1.00 0.00 H new ATOM 1281 N GLN A 86 -6.629 -19.959 -4.876 1.00 0.00 N ATOM 1282 CA GLN A 86 -6.369 -20.167 -6.296 1.00 0.00 C ATOM 1283 C GLN A 86 -7.181 -19.196 -7.147 1.00 0.00 C ATOM 1284 O GLN A 86 -7.906 -19.604 -8.053 1.00 0.00 O ATOM 1285 CB GLN A 86 -6.700 -21.608 -6.690 1.00 0.00 C ATOM 1286 CG GLN A 86 -5.760 -22.635 -6.083 1.00 0.00 C ATOM 1287 CD GLN A 86 -6.144 -24.059 -6.437 1.00 0.00 C ATOM 1288 OE1 GLN A 86 -6.293 -24.400 -7.612 1.00 0.00 O ATOM 1289 NE2 GLN A 86 -6.306 -24.901 -5.423 1.00 0.00 N ATOM 0 H GLN A 86 -5.791 -19.836 -4.307 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.310 -19.981 -6.477 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.721 -21.835 -6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -6.668 -21.695 -7.776 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.744 -22.440 -6.427 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.756 -22.523 -4.999 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.173 -24.577 -4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.564 -25.872 -5.602 1.00 0.00 H new ATOM 1298 N LYS A 87 -7.054 -17.907 -6.846 1.00 0.00 N ATOM 1299 CA LYS A 87 -7.775 -16.875 -7.583 1.00 0.00 C ATOM 1300 C LYS A 87 -7.026 -15.547 -7.532 1.00 0.00 C ATOM 1301 O LYS A 87 -6.655 -15.072 -6.458 1.00 0.00 O ATOM 1302 CB LYS A 87 -9.183 -16.702 -7.012 1.00 0.00 C ATOM 1303 CG LYS A 87 -10.107 -17.872 -7.303 1.00 0.00 C ATOM 1304 CD LYS A 87 -10.279 -18.088 -8.798 1.00 0.00 C ATOM 1305 CE LYS A 87 -11.739 -17.983 -9.211 1.00 0.00 C ATOM 1306 NZ LYS A 87 -11.885 -17.680 -10.662 1.00 0.00 N ATOM 0 H LYS A 87 -6.459 -17.553 -6.097 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.849 -17.190 -8.624 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.114 -16.565 -5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.623 -15.793 -7.422 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.704 -18.777 -6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.080 -17.691 -6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.691 -17.350 -9.344 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.892 -19.069 -9.072 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.249 -18.919 -8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.227 -17.203 -8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.895 -17.617 -10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.420 -16.775 -10.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.442 -18.437 -11.221 1.00 0.00 H new ATOM 1320 N THR A 88 -6.809 -14.949 -8.699 1.00 0.00 N ATOM 1321 CA THR A 88 -6.106 -13.675 -8.787 1.00 0.00 C ATOM 1322 C THR A 88 -6.867 -12.576 -8.054 1.00 0.00 C ATOM 1323 O THR A 88 -8.085 -12.453 -8.193 1.00 0.00 O ATOM 1324 CB THR A 88 -5.896 -13.250 -10.253 1.00 0.00 C ATOM 1325 OG1 THR A 88 -5.343 -14.337 -11.003 1.00 0.00 O ATOM 1326 CG2 THR A 88 -4.969 -12.046 -10.338 1.00 0.00 C ATOM 0 H THR A 88 -7.110 -15.327 -9.597 1.00 0.00 H new ATOM 0 HA THR A 88 -5.134 -13.816 -8.315 1.00 0.00 H new ATOM 0 HB THR A 88 -6.864 -12.975 -10.672 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.214 -14.060 -11.934 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.835 -11.763 -11.382 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.405 -11.211 -9.789 1.00 0.00 H new ATOM 0 HG23 THR A 88 -4.002 -12.300 -9.904 1.00 0.00 H new ATOM 1334 N TYR A 89 -6.143 -11.779 -7.278 1.00 0.00 N ATOM 1335 CA TYR A 89 -6.751 -10.690 -6.522 1.00 0.00 C ATOM 1336 C TYR A 89 -5.950 -9.402 -6.685 1.00 0.00 C ATOM 1337 O TYR A 89 -4.734 -9.384 -6.495 1.00 0.00 O ATOM 1338 CB TYR A 89 -6.848 -11.061 -5.041 1.00 0.00 C ATOM 1339 CG TYR A 89 -8.220 -11.536 -4.625 1.00 0.00 C ATOM 1340 CD1 TYR A 89 -9.217 -10.629 -4.279 1.00 0.00 C ATOM 1341 CD2 TYR A 89 -8.524 -12.890 -4.575 1.00 0.00 C ATOM 1342 CE1 TYR A 89 -10.472 -11.059 -3.898 1.00 0.00 C ATOM 1343 CE2 TYR A 89 -9.777 -13.329 -4.195 1.00 0.00 C ATOM 1344 CZ TYR A 89 -10.749 -12.409 -3.858 1.00 0.00 C ATOM 1345 OH TYR A 89 -11.998 -12.842 -3.477 1.00 0.00 O ATOM 0 H TYR A 89 -5.134 -11.866 -7.155 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.755 -10.525 -6.914 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.120 -11.843 -4.823 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.575 -10.194 -4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.005 -9.570 -4.309 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.766 -13.613 -4.838 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.234 -10.341 -3.632 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -9.995 -14.386 -4.162 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.667 -12.170 -3.725 1.00 0.00 H new ATOM 1355 N SER A 90 -6.642 -8.323 -7.037 1.00 0.00 N ATOM 1356 CA SER A 90 -5.997 -7.029 -7.227 1.00 0.00 C ATOM 1357 C SER A 90 -5.920 -6.261 -5.911 1.00 0.00 C ATOM 1358 O SER A 90 -6.737 -6.462 -5.014 1.00 0.00 O ATOM 1359 CB SER A 90 -6.756 -6.205 -8.268 1.00 0.00 C ATOM 1360 OG SER A 90 -8.156 -6.276 -8.053 1.00 0.00 O ATOM 0 H SER A 90 -7.649 -8.319 -7.196 1.00 0.00 H new ATOM 0 HA SER A 90 -4.982 -7.206 -7.584 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.430 -5.166 -8.222 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.519 -6.569 -9.268 1.00 0.00 H new ATOM 0 HG SER A 90 -8.591 -5.504 -8.472 1.00 0.00 H new ATOM 1366 N VAL A 91 -4.930 -5.380 -5.806 1.00 0.00 N ATOM 1367 CA VAL A 91 -4.746 -4.579 -4.601 1.00 0.00 C ATOM 1368 C VAL A 91 -4.209 -3.192 -4.939 1.00 0.00 C ATOM 1369 O VAL A 91 -3.167 -3.056 -5.579 1.00 0.00 O ATOM 1370 CB VAL A 91 -3.780 -5.264 -3.616 1.00 0.00 C ATOM 1371 CG1 VAL A 91 -3.717 -4.492 -2.306 1.00 0.00 C ATOM 1372 CG2 VAL A 91 -4.200 -6.706 -3.373 1.00 0.00 C ATOM 0 H VAL A 91 -4.244 -5.203 -6.540 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.725 -4.482 -4.132 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.783 -5.269 -4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.030 -4.991 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.366 -3.478 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.710 -4.454 -1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.506 -7.174 -2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.206 -6.726 -2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.189 -7.252 -4.316 1.00 0.00 H new ATOM 1382 N LYS A 92 -4.929 -2.164 -4.504 1.00 0.00 N ATOM 1383 CA LYS A 92 -4.525 -0.786 -4.759 1.00 0.00 C ATOM 1384 C LYS A 92 -4.810 0.096 -3.546 1.00 0.00 C ATOM 1385 O LYS A 92 -5.928 0.123 -3.033 1.00 0.00 O ATOM 1386 CB LYS A 92 -5.258 -0.236 -5.984 1.00 0.00 C ATOM 1387 CG LYS A 92 -4.972 -1.011 -7.260 1.00 0.00 C ATOM 1388 CD LYS A 92 -6.027 -0.743 -8.321 1.00 0.00 C ATOM 1389 CE LYS A 92 -5.585 0.349 -9.283 1.00 0.00 C ATOM 1390 NZ LYS A 92 -5.688 -0.086 -10.703 1.00 0.00 N ATOM 0 H LYS A 92 -5.795 -2.259 -3.973 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.452 -0.777 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.331 -0.250 -5.792 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -4.974 0.806 -6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.990 -0.734 -7.643 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.939 -2.078 -7.040 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.227 -1.659 -8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -6.961 -0.451 -7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.198 1.237 -9.130 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.555 0.631 -9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.799 0.130 -11.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -5.865 -1.110 -10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -6.472 0.418 -11.164 1.00 0.00 H new ATOM 1404 N VAL A 93 -3.790 0.820 -3.094 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.932 1.705 -1.945 1.00 0.00 C ATOM 1406 C VAL A 93 -3.769 3.165 -2.353 1.00 0.00 C ATOM 1407 O VAL A 93 -3.055 3.480 -3.307 1.00 0.00 O ATOM 1408 CB VAL A 93 -2.901 1.372 -0.850 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.194 2.161 0.416 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -2.891 -0.122 -0.565 1.00 0.00 C ATOM 0 H VAL A 93 -2.857 0.810 -3.506 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.936 1.551 -1.548 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.912 1.658 -1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -2.456 1.913 1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.147 3.228 0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.190 1.909 0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.157 -0.339 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.879 -0.435 -0.228 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.630 -0.664 -1.474 1.00 0.00 H new ATOM 1420 N LEU A 94 -4.434 4.055 -1.624 1.00 0.00 N ATOM 1421 CA LEU A 94 -4.363 5.485 -1.909 1.00 0.00 C ATOM 1422 C LEU A 94 -4.383 6.298 -0.618 1.00 0.00 C ATOM 1423 O LEU A 94 -4.656 5.768 0.456 1.00 0.00 O ATOM 1424 CB LEU A 94 -5.527 5.903 -2.808 1.00 0.00 C ATOM 1425 CG LEU A 94 -6.846 6.209 -2.099 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -6.953 7.694 -1.789 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -8.026 5.753 -2.946 1.00 0.00 C ATOM 0 H LEU A 94 -5.028 3.812 -0.831 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.424 5.683 -2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.226 6.787 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.703 5.109 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.866 5.659 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.898 7.893 -1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.127 7.991 -1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.910 8.263 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.957 5.979 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.010 6.274 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.958 4.679 -3.117 1.00 0.00 H new ATOM 1439 N ALA A 95 -4.093 7.589 -0.735 1.00 0.00 N ATOM 1440 CA ALA A 95 -4.082 8.479 0.419 1.00 0.00 C ATOM 1441 C ALA A 95 -5.080 9.619 0.246 1.00 0.00 C ATOM 1442 O ALA A 95 -5.264 10.132 -0.858 1.00 0.00 O ATOM 1443 CB ALA A 95 -2.683 9.030 0.647 1.00 0.00 C ATOM 0 H ALA A 95 -3.862 8.043 -1.619 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.381 7.901 1.294 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.690 9.693 1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.992 8.206 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.363 9.586 -0.234 1.00 0.00 H new ATOM 1449 N PHE A 96 -5.723 10.006 1.341 1.00 0.00 N ATOM 1450 CA PHE A 96 -6.704 11.085 1.309 1.00 0.00 C ATOM 1451 C PHE A 96 -6.691 11.872 2.617 1.00 0.00 C ATOM 1452 O PHE A 96 -6.488 11.307 3.693 1.00 0.00 O ATOM 1453 CB PHE A 96 -8.104 10.522 1.055 1.00 0.00 C ATOM 1454 CG PHE A 96 -8.664 9.758 2.220 1.00 0.00 C ATOM 1455 CD1 PHE A 96 -9.360 10.411 3.225 1.00 0.00 C ATOM 1456 CD2 PHE A 96 -8.494 8.386 2.312 1.00 0.00 C ATOM 1457 CE1 PHE A 96 -9.876 9.712 4.298 1.00 0.00 C ATOM 1458 CE2 PHE A 96 -9.009 7.680 3.382 1.00 0.00 C ATOM 1459 CZ PHE A 96 -9.700 8.344 4.378 1.00 0.00 C ATOM 0 H PHE A 96 -5.583 9.590 2.262 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.437 11.760 0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -8.778 11.343 0.812 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -8.071 9.868 0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.501 11.480 3.168 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.952 7.862 1.538 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -10.417 10.234 5.074 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.872 6.610 3.440 1.00 0.00 H new ATOM 0 HZ PHE A 96 -10.101 7.795 5.217 1.00 0.00 H new ATOM 1469 N THR A 97 -6.908 13.179 2.515 1.00 0.00 N ATOM 1470 CA THR A 97 -6.920 14.045 3.688 1.00 0.00 C ATOM 1471 C THR A 97 -8.237 14.801 3.801 1.00 0.00 C ATOM 1472 O THR A 97 -9.150 14.601 2.998 1.00 0.00 O ATOM 1473 CB THR A 97 -5.761 15.061 3.648 1.00 0.00 C ATOM 1474 OG1 THR A 97 -5.998 16.034 2.625 1.00 0.00 O ATOM 1475 CG2 THR A 97 -4.435 14.359 3.390 1.00 0.00 C ATOM 0 H THR A 97 -7.078 13.661 1.633 1.00 0.00 H new ATOM 0 HA THR A 97 -6.799 13.399 4.558 1.00 0.00 H new ATOM 0 HB THR A 97 -5.709 15.558 4.617 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.258 16.677 2.607 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.632 15.096 3.366 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.243 13.639 4.186 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.479 13.839 2.433 1.00 0.00 H new ATOM 1483 N SER A 98 -8.333 15.670 4.801 1.00 0.00 N ATOM 1484 CA SER A 98 -9.543 16.454 5.021 1.00 0.00 C ATOM 1485 C SER A 98 -9.894 17.270 3.780 1.00 0.00 C ATOM 1486 O SER A 98 -11.062 17.574 3.535 1.00 0.00 O ATOM 1487 CB SER A 98 -9.361 17.385 6.222 1.00 0.00 C ATOM 1488 OG SER A 98 -10.339 17.131 7.216 1.00 0.00 O ATOM 0 H SER A 98 -7.587 15.850 5.473 1.00 0.00 H new ATOM 0 HA SER A 98 -10.362 15.764 5.225 1.00 0.00 H new ATOM 0 HB2 SER A 98 -8.365 17.249 6.644 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.430 18.423 5.896 1.00 0.00 H new ATOM 0 HG SER A 98 -10.201 17.737 7.974 1.00 0.00 H new ATOM 1494 N ILE A 99 -8.876 17.620 3.002 1.00 0.00 N ATOM 1495 CA ILE A 99 -9.077 18.398 1.786 1.00 0.00 C ATOM 1496 C ILE A 99 -9.799 17.579 0.723 1.00 0.00 C ATOM 1497 O ILE A 99 -10.921 17.901 0.331 1.00 0.00 O ATOM 1498 CB ILE A 99 -7.739 18.900 1.211 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -7.003 19.753 2.246 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -7.976 19.692 -0.067 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -7.804 20.941 2.729 1.00 0.00 C ATOM 0 H ILE A 99 -7.904 17.377 3.192 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.691 19.257 2.059 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.117 18.038 0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -6.743 19.129 3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -6.067 20.107 1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.021 20.040 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.463 19.055 -0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.614 20.549 0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.221 21.500 3.460 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.042 21.587 1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.728 20.593 3.191 1.00 0.00 H new ATOM 1513 N GLY A 100 -9.149 16.515 0.258 1.00 0.00 N ATOM 1514 CA GLY A 100 -9.746 15.665 -0.756 1.00 0.00 C ATOM 1515 C GLY A 100 -9.111 14.290 -0.805 1.00 0.00 C ATOM 1516 O GLY A 100 -8.606 13.794 0.203 1.00 0.00 O ATOM 0 H GLY A 100 -8.220 16.227 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.813 15.562 -0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.647 16.143 -1.731 1.00 0.00 H new ATOM 1520 N ASP A 101 -9.135 13.670 -1.980 1.00 0.00 N ATOM 1521 CA ASP A 101 -8.560 12.342 -2.157 1.00 0.00 C ATOM 1522 C ASP A 101 -7.328 12.400 -3.055 1.00 0.00 C ATOM 1523 O ASP A 101 -7.113 13.380 -3.769 1.00 0.00 O ATOM 1524 CB ASP A 101 -9.596 11.388 -2.750 1.00 0.00 C ATOM 1525 CG ASP A 101 -10.510 12.073 -3.747 1.00 0.00 C ATOM 1526 OD1 ASP A 101 -9.999 12.592 -4.761 1.00 0.00 O ATOM 1527 OD2 ASP A 101 -11.736 12.090 -3.512 1.00 0.00 O ATOM 0 H ASP A 101 -9.547 14.067 -2.825 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.257 11.970 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -9.084 10.560 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.195 10.961 -1.946 1.00 0.00 H new ATOM 1532 N GLY A 102 -6.522 11.343 -3.016 1.00 0.00 N ATOM 1533 CA GLY A 102 -5.322 11.295 -3.830 1.00 0.00 C ATOM 1534 C GLY A 102 -5.364 10.183 -4.861 1.00 0.00 C ATOM 1535 O GLY A 102 -6.266 9.345 -4.863 1.00 0.00 O ATOM 0 H GLY A 102 -6.679 10.519 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.192 12.251 -4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.455 11.156 -3.185 1.00 0.00 H new ATOM 1539 N PRO A 103 -4.373 10.169 -5.763 1.00 0.00 N ATOM 1540 CA PRO A 103 -4.279 9.157 -6.820 1.00 0.00 C ATOM 1541 C PRO A 103 -3.933 7.777 -6.273 1.00 0.00 C ATOM 1542 O PRO A 103 -3.296 7.655 -5.226 1.00 0.00 O ATOM 1543 CB PRO A 103 -3.147 9.679 -7.710 1.00 0.00 C ATOM 1544 CG PRO A 103 -2.313 10.521 -6.807 1.00 0.00 C ATOM 1545 CD PRO A 103 -3.266 11.139 -5.820 1.00 0.00 C ATOM 0 HA PRO A 103 -5.226 9.025 -7.343 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.567 8.859 -8.135 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.536 10.260 -8.546 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.560 9.920 -6.298 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.782 11.289 -7.370 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.801 11.276 -4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.607 12.120 -6.151 1.00 0.00 H new ATOM 1553 N LEU A 104 -4.358 6.741 -6.987 1.00 0.00 N ATOM 1554 CA LEU A 104 -4.093 5.367 -6.572 1.00 0.00 C ATOM 1555 C LEU A 104 -2.622 5.013 -6.769 1.00 0.00 C ATOM 1556 O LEU A 104 -1.845 5.814 -7.288 1.00 0.00 O ATOM 1557 CB LEU A 104 -4.972 4.396 -7.362 1.00 0.00 C ATOM 1558 CG LEU A 104 -6.474 4.478 -7.090 1.00 0.00 C ATOM 1559 CD1 LEU A 104 -7.264 4.085 -8.330 1.00 0.00 C ATOM 1560 CD2 LEU A 104 -6.853 3.594 -5.911 1.00 0.00 C ATOM 0 H LEU A 104 -4.887 6.825 -7.855 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.330 5.282 -5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.806 4.569 -8.425 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.639 3.380 -7.149 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.722 5.509 -6.838 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.331 4.149 -8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.016 4.760 -9.149 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.012 3.063 -8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.926 3.666 -5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.590 2.560 -6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.315 3.923 -5.022 1.00 0.00 H new ATOM 1572 N SER A 105 -2.248 3.807 -6.351 1.00 0.00 N ATOM 1573 CA SER A 105 -0.870 3.348 -6.481 1.00 0.00 C ATOM 1574 C SER A 105 -0.739 2.337 -7.616 1.00 0.00 C ATOM 1575 O SER A 105 -1.718 2.001 -8.279 1.00 0.00 O ATOM 1576 CB SER A 105 -0.394 2.723 -5.167 1.00 0.00 C ATOM 1577 OG SER A 105 -0.350 1.310 -5.262 1.00 0.00 O ATOM 0 H SER A 105 -2.879 3.132 -5.920 1.00 0.00 H new ATOM 0 HA SER A 105 -0.245 4.210 -6.713 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.596 3.105 -4.916 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.063 3.016 -4.358 1.00 0.00 H new ATOM 0 HG SER A 105 -0.042 0.934 -4.411 1.00 0.00 H new ATOM 1583 N SER A 106 0.482 1.855 -7.832 1.00 0.00 N ATOM 1584 CA SER A 106 0.744 0.884 -8.888 1.00 0.00 C ATOM 1585 C SER A 106 -0.198 -0.309 -8.776 1.00 0.00 C ATOM 1586 O SER A 106 -0.460 -0.807 -7.680 1.00 0.00 O ATOM 1587 CB SER A 106 2.198 0.411 -8.824 1.00 0.00 C ATOM 1588 OG SER A 106 2.507 -0.433 -9.920 1.00 0.00 O ATOM 0 H SER A 106 1.304 2.121 -7.290 1.00 0.00 H new ATOM 0 HA SER A 106 0.570 1.371 -9.848 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.865 1.273 -8.825 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.369 -0.123 -7.890 1.00 0.00 H new ATOM 0 HG SER A 106 3.442 -0.721 -9.858 1.00 0.00 H new ATOM 1594 N ASP A 107 -0.706 -0.764 -9.917 1.00 0.00 N ATOM 1595 CA ASP A 107 -1.618 -1.901 -9.948 1.00 0.00 C ATOM 1596 C ASP A 107 -0.874 -3.204 -9.671 1.00 0.00 C ATOM 1597 O ASP A 107 -0.010 -3.612 -10.447 1.00 0.00 O ATOM 1598 CB ASP A 107 -2.323 -1.980 -11.302 1.00 0.00 C ATOM 1599 CG ASP A 107 -2.616 -0.609 -11.883 1.00 0.00 C ATOM 1600 OD1 ASP A 107 -2.944 0.308 -11.103 1.00 0.00 O ATOM 1601 OD2 ASP A 107 -2.515 -0.455 -13.119 1.00 0.00 O ATOM 0 H ASP A 107 -0.501 -0.363 -10.832 1.00 0.00 H new ATOM 0 HA ASP A 107 -2.364 -1.757 -9.166 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.702 -2.542 -12.000 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -3.257 -2.531 -11.191 1.00 0.00 H new ATOM 1606 N ILE A 108 -1.215 -3.850 -8.561 1.00 0.00 N ATOM 1607 CA ILE A 108 -0.579 -5.105 -8.183 1.00 0.00 C ATOM 1608 C ILE A 108 -1.613 -6.207 -7.982 1.00 0.00 C ATOM 1609 O ILE A 108 -2.737 -5.946 -7.552 1.00 0.00 O ATOM 1610 CB ILE A 108 0.248 -4.952 -6.893 1.00 0.00 C ATOM 1611 CG1 ILE A 108 -0.644 -4.474 -5.745 1.00 0.00 C ATOM 1612 CG2 ILE A 108 1.400 -3.983 -7.114 1.00 0.00 C ATOM 1613 CD1 ILE A 108 -0.058 -4.741 -4.375 1.00 0.00 C ATOM 0 H ILE A 108 -1.928 -3.525 -7.908 1.00 0.00 H new ATOM 0 HA ILE A 108 0.087 -5.379 -9.001 1.00 0.00 H new ATOM 0 HB ILE A 108 0.663 -5.924 -6.627 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -0.821 -3.404 -5.854 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.614 -4.966 -5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.975 -3.885 -6.193 1.00 0.00 H new ATOM 0 HG22 ILE A 108 2.046 -4.360 -7.907 1.00 0.00 H new ATOM 0 HG23 ILE A 108 1.006 -3.008 -7.400 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.743 -4.377 -3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.093 -5.813 -4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.898 -4.226 -4.282 1.00 0.00 H new ATOM 1625 N GLN A 109 -1.227 -7.440 -8.296 1.00 0.00 N ATOM 1626 CA GLN A 109 -2.121 -8.582 -8.148 1.00 0.00 C ATOM 1627 C GLN A 109 -1.432 -9.722 -7.405 1.00 0.00 C ATOM 1628 O GLN A 109 -0.295 -10.079 -7.713 1.00 0.00 O ATOM 1629 CB GLN A 109 -2.595 -9.065 -9.519 1.00 0.00 C ATOM 1630 CG GLN A 109 -3.698 -8.207 -10.118 1.00 0.00 C ATOM 1631 CD GLN A 109 -3.602 -8.106 -11.629 1.00 0.00 C ATOM 1632 OE1 GLN A 109 -3.758 -9.099 -12.340 1.00 0.00 O ATOM 1633 NE2 GLN A 109 -3.345 -6.902 -12.127 1.00 0.00 N ATOM 0 H GLN A 109 -0.301 -7.673 -8.654 1.00 0.00 H new ATOM 0 HA GLN A 109 -2.984 -8.262 -7.564 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -1.746 -9.081 -10.203 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.952 -10.091 -9.430 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.667 -8.625 -9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -3.650 -7.207 -9.687 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.223 -6.106 -11.500 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.270 -6.773 -13.136 1.00 0.00 H new ATOM 1642 N VAL A 110 -2.126 -10.286 -6.422 1.00 0.00 N ATOM 1643 CA VAL A 110 -1.581 -11.385 -5.636 1.00 0.00 C ATOM 1644 C VAL A 110 -2.497 -12.604 -5.685 1.00 0.00 C ATOM 1645 O VAL A 110 -3.707 -12.490 -5.490 1.00 0.00 O ATOM 1646 CB VAL A 110 -1.371 -10.973 -4.165 1.00 0.00 C ATOM 1647 CG1 VAL A 110 -2.669 -10.453 -3.567 1.00 0.00 C ATOM 1648 CG2 VAL A 110 -0.832 -12.143 -3.357 1.00 0.00 C ATOM 0 H VAL A 110 -3.067 -10.000 -6.151 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.617 -11.641 -6.076 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.636 -10.169 -4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.502 -10.167 -2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.008 -9.585 -4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.428 -11.234 -3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.690 -11.835 -2.321 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.542 -12.969 -3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.122 -12.465 -3.774 1.00 0.00 H new ATOM 1658 N ILE A 111 -1.911 -13.767 -5.944 1.00 0.00 N ATOM 1659 CA ILE A 111 -2.674 -15.007 -6.017 1.00 0.00 C ATOM 1660 C ILE A 111 -2.845 -15.630 -4.635 1.00 0.00 C ATOM 1661 O ILE A 111 -1.889 -15.736 -3.866 1.00 0.00 O ATOM 1662 CB ILE A 111 -1.998 -16.030 -6.948 1.00 0.00 C ATOM 1663 CG1 ILE A 111 -1.869 -15.459 -8.361 1.00 0.00 C ATOM 1664 CG2 ILE A 111 -2.785 -17.332 -6.966 1.00 0.00 C ATOM 1665 CD1 ILE A 111 -0.520 -15.712 -8.996 1.00 0.00 C ATOM 0 H ILE A 111 -0.910 -13.877 -6.107 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.653 -14.751 -6.422 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.998 -16.239 -6.568 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.645 -15.893 -8.991 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.050 -14.385 -8.327 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.294 -18.045 -7.629 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.829 -17.745 -5.958 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.797 -17.141 -7.324 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.502 -15.279 -9.996 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.260 -15.254 -8.388 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.345 -16.786 -9.062 1.00 0.00 H new ATOM 1677 N THR A 112 -4.071 -16.040 -4.325 1.00 0.00 N ATOM 1678 CA THR A 112 -4.369 -16.653 -3.036 1.00 0.00 C ATOM 1679 C THR A 112 -3.781 -18.056 -2.945 1.00 0.00 C ATOM 1680 O THR A 112 -4.436 -19.036 -3.299 1.00 0.00 O ATOM 1681 CB THR A 112 -5.887 -16.727 -2.786 1.00 0.00 C ATOM 1682 OG1 THR A 112 -6.565 -17.087 -3.995 1.00 0.00 O ATOM 1683 CG2 THR A 112 -6.417 -15.395 -2.277 1.00 0.00 C ATOM 0 H THR A 112 -4.874 -15.959 -4.949 1.00 0.00 H new ATOM 0 HA THR A 112 -3.914 -16.021 -2.273 1.00 0.00 H new ATOM 0 HB THR A 112 -6.072 -17.487 -2.027 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.490 -16.767 -3.959 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.491 -15.472 -2.108 1.00 0.00 H new ATOM 0 HG22 THR A 112 -5.919 -15.139 -1.342 1.00 0.00 H new ATOM 0 HG23 THR A 112 -6.221 -14.619 -3.017 1.00 0.00 H new ATOM 1691 N GLN A 113 -2.543 -18.146 -2.471 1.00 0.00 N ATOM 1692 CA GLN A 113 -1.868 -19.430 -2.335 1.00 0.00 C ATOM 1693 C GLN A 113 -1.026 -19.471 -1.064 1.00 0.00 C ATOM 1694 O GLN A 113 -0.332 -18.509 -0.734 1.00 0.00 O ATOM 1695 CB GLN A 113 -0.984 -19.699 -3.555 1.00 0.00 C ATOM 1696 CG GLN A 113 0.291 -18.871 -3.575 1.00 0.00 C ATOM 1697 CD GLN A 113 1.105 -19.084 -4.836 1.00 0.00 C ATOM 1698 OE1 GLN A 113 0.673 -19.777 -5.758 1.00 0.00 O ATOM 1699 NE2 GLN A 113 2.290 -18.487 -4.884 1.00 0.00 N ATOM 0 H GLN A 113 -1.987 -17.344 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 113 -2.630 -20.206 -2.270 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -0.721 -20.757 -3.577 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -1.555 -19.493 -4.460 1.00 0.00 H new ATOM 0 HG2 GLN A 113 0.035 -17.815 -3.486 1.00 0.00 H new ATOM 0 HG3 GLN A 113 0.899 -19.126 -2.707 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.609 -17.922 -4.097 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.882 -18.594 -5.708 1.00 0.00 H new