USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=25 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 90 SER OG : rot 80:sc= 0.0563 USER MOD Set 1.2: A 109 GLN : amide:sc= -0.224 K(o=-0.17,f=-3.4!) USER MOD Set 2.1: A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 89 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 56 TYR OH : rot -9:sc= 0.116 USER MOD Set 3.2: A 70 HIS : no HD1:sc= -0.317 K(o=-0.23,f=-1.1) USER MOD Set 3.3: A 78 THR OG1 : rot 170:sc= -0.0336 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 19 SER OG : rot -53:sc= 0.323 USER MOD Single : A 20 SER OG : rot 34:sc= -1.13 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl 163:sc= -6.06! (180deg=-6.95!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0724 USER MOD Single : A 38 GLN : amide:sc= -0.0109 X(o=-0.011,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.134 X(o=-0.13,f=0.2) USER MOD Single : A 48 GLN : amide:sc= -0.07 X(o=-0.07,f=-0.53) USER MOD Single : A 50 GLN : amide:sc= -0.0109 K(o=-0.011,f=-0.97) USER MOD Single : A 52 TYR OH : rot 31:sc= -1 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.678 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 157:sc= -0.0254 (180deg=-0.73) 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=0.11) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN :FLIP amide:sc= -1.75! C(o=-2.9!,f=-1.7!) USER MOD Single : A 79 THR OG1 : rot 43:sc= 0.0823 USER MOD Single : A 82 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.26) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00332 USER MOD Single : A 92 LYS NZ :NH3+ -170:sc=-0.00884 (180deg=-0.0914) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0.112 USER MOD Single : A 112 THR OG1 : rot 156:sc= 1.9 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 186 N GLN A 16 -3.235 21.007 1.172 1.00 0.00 N ATOM 187 CA GLN A 16 -4.149 20.540 0.137 1.00 0.00 C ATOM 188 C GLN A 16 -4.206 19.016 0.109 1.00 0.00 C ATOM 189 O GLN A 16 -3.564 18.347 0.916 1.00 0.00 O ATOM 190 CB GLN A 16 -3.718 21.072 -1.230 1.00 0.00 C ATOM 191 CG GLN A 16 -4.584 22.211 -1.742 1.00 0.00 C ATOM 192 CD GLN A 16 -4.115 22.746 -3.080 1.00 0.00 C ATOM 193 OE1 GLN A 16 -3.696 21.986 -3.953 1.00 0.00 O ATOM 194 NE2 GLN A 16 -4.183 24.061 -3.248 1.00 0.00 N ATOM 0 HA GLN A 16 -5.145 20.918 0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.684 21.412 -1.168 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.742 20.256 -1.952 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.614 21.866 -1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.583 23.020 -1.011 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.537 24.653 -2.497 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.881 24.479 -4.128 1.00 0.00 H new ATOM 203 N ALA A 17 -4.981 18.476 -0.825 1.00 0.00 N ATOM 204 CA ALA A 17 -5.122 17.031 -0.961 1.00 0.00 C ATOM 205 C ALA A 17 -3.797 16.385 -1.353 1.00 0.00 C ATOM 206 O ALA A 17 -2.891 17.037 -1.872 1.00 0.00 O ATOM 207 CB ALA A 17 -6.197 16.698 -1.985 1.00 0.00 C ATOM 0 H ALA A 17 -5.522 19.018 -1.500 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.421 16.628 0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.291 15.616 -2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.149 17.119 -1.663 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.922 17.120 -2.952 1.00 0.00 H new ATOM 213 N PRO A 18 -3.679 15.073 -1.100 1.00 0.00 N ATOM 214 CA PRO A 18 -2.470 14.311 -1.419 1.00 0.00 C ATOM 215 C PRO A 18 -2.272 14.138 -2.921 1.00 0.00 C ATOM 216 O PRO A 18 -3.128 13.582 -3.609 1.00 0.00 O ATOM 217 CB PRO A 18 -2.719 12.955 -0.752 1.00 0.00 C ATOM 218 CG PRO A 18 -4.202 12.835 -0.680 1.00 0.00 C ATOM 219 CD PRO A 18 -4.721 14.234 -0.483 1.00 0.00 C ATOM 0 HA PRO A 18 -1.568 14.814 -1.070 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.284 12.142 -1.333 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.270 12.913 0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.603 12.395 -1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.502 12.188 0.144 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.689 14.375 -0.965 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.853 14.469 0.573 1.00 0.00 H new ATOM 227 N SER A 19 -1.139 14.617 -3.423 1.00 0.00 N ATOM 228 CA SER A 19 -0.831 14.520 -4.846 1.00 0.00 C ATOM 229 C SER A 19 0.325 13.553 -5.085 1.00 0.00 C ATOM 230 O SER A 19 1.188 13.796 -5.929 1.00 0.00 O ATOM 231 CB SER A 19 -0.483 15.898 -5.410 1.00 0.00 C ATOM 232 OG SER A 19 -0.440 15.873 -6.827 1.00 0.00 O ATOM 0 H SER A 19 -0.418 15.076 -2.866 1.00 0.00 H new ATOM 0 HA SER A 19 -1.714 14.139 -5.359 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.222 16.627 -5.078 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.482 16.221 -5.019 1.00 0.00 H new ATOM 0 HG SER A 19 0.156 15.154 -7.124 1.00 0.00 H new ATOM 238 N SER A 20 0.334 12.455 -4.337 1.00 0.00 N ATOM 239 CA SER A 20 1.385 11.452 -4.464 1.00 0.00 C ATOM 240 C SER A 20 0.886 10.081 -4.019 1.00 0.00 C ATOM 241 O SER A 20 0.282 9.944 -2.955 1.00 0.00 O ATOM 242 CB SER A 20 2.607 11.855 -3.635 1.00 0.00 C ATOM 243 OG SER A 20 3.524 12.605 -4.412 1.00 0.00 O ATOM 0 H SER A 20 -0.375 12.237 -3.636 1.00 0.00 H new ATOM 0 HA SER A 20 1.670 11.392 -5.514 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.289 12.443 -2.774 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.098 10.962 -3.248 1.00 0.00 H new ATOM 0 HG SER A 20 3.033 13.148 -5.063 1.00 0.00 H new ATOM 249 N ALA A 21 1.140 9.070 -4.842 1.00 0.00 N ATOM 250 CA ALA A 21 0.718 7.709 -4.534 1.00 0.00 C ATOM 251 C ALA A 21 1.518 7.137 -3.368 1.00 0.00 C ATOM 252 O ALA A 21 2.641 7.557 -3.090 1.00 0.00 O ATOM 253 CB ALA A 21 0.862 6.820 -5.762 1.00 0.00 C ATOM 0 H ALA A 21 1.636 9.167 -5.728 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.332 7.738 -4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.543 5.807 -5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.242 7.211 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.904 6.805 -6.080 1.00 0.00 H new ATOM 259 N PRO A 22 0.927 6.156 -2.668 1.00 0.00 N ATOM 260 CA PRO A 22 1.567 5.507 -1.522 1.00 0.00 C ATOM 261 C PRO A 22 2.748 4.635 -1.934 1.00 0.00 C ATOM 262 O PRO A 22 2.855 4.225 -3.090 1.00 0.00 O ATOM 263 CB PRO A 22 0.446 4.645 -0.932 1.00 0.00 C ATOM 264 CG PRO A 22 -0.471 4.381 -2.075 1.00 0.00 C ATOM 265 CD PRO A 22 -0.411 5.607 -2.945 1.00 0.00 C ATOM 0 HA PRO A 22 1.981 6.232 -0.821 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.838 3.717 -0.516 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.069 5.164 -0.123 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.160 3.494 -2.628 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.488 4.199 -1.726 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.533 5.358 -3.999 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.197 6.318 -2.692 1.00 0.00 H new ATOM 273 N ARG A 23 3.632 4.354 -0.982 1.00 0.00 N ATOM 274 CA ARG A 23 4.806 3.531 -1.246 1.00 0.00 C ATOM 275 C ARG A 23 4.845 2.323 -0.314 1.00 0.00 C ATOM 276 O ARG A 23 4.002 2.183 0.573 1.00 0.00 O ATOM 277 CB ARG A 23 6.082 4.358 -1.082 1.00 0.00 C ATOM 278 CG ARG A 23 6.012 5.725 -1.742 1.00 0.00 C ATOM 279 CD ARG A 23 7.274 6.533 -1.485 1.00 0.00 C ATOM 280 NE ARG A 23 7.650 6.528 -0.074 1.00 0.00 N ATOM 281 CZ ARG A 23 8.873 6.806 0.363 1.00 0.00 C ATOM 282 NH1 ARG A 23 9.834 7.109 -0.500 1.00 0.00 N ATOM 283 NH2 ARG A 23 9.137 6.782 1.661 1.00 0.00 N ATOM 0 H ARG A 23 3.557 4.685 -0.020 1.00 0.00 H new ATOM 0 HA ARG A 23 4.744 3.172 -2.273 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.287 4.487 -0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.921 3.803 -1.503 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.868 5.605 -2.816 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.147 6.269 -1.363 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.092 6.126 -2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.120 7.560 -1.815 1.00 0.00 H new ATOM 0 HE ARG A 23 6.933 6.298 0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.634 7.129 -1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.773 7.322 -0.164 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.400 6.550 2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.077 6.996 1.994 1.00 0.00 H new ATOM 297 N ASP A 24 5.827 1.454 -0.522 1.00 0.00 N ATOM 298 CA ASP A 24 5.976 0.258 0.301 1.00 0.00 C ATOM 299 C ASP A 24 4.726 -0.613 0.226 1.00 0.00 C ATOM 300 O ASP A 24 4.449 -1.398 1.131 1.00 0.00 O ATOM 301 CB ASP A 24 6.257 0.644 1.753 1.00 0.00 C ATOM 302 CG ASP A 24 7.191 -0.332 2.441 1.00 0.00 C ATOM 303 OD1 ASP A 24 8.108 -0.849 1.771 1.00 0.00 O ATOM 304 OD2 ASP A 24 7.003 -0.580 3.651 1.00 0.00 O ATOM 0 H ASP A 24 6.532 1.554 -1.253 1.00 0.00 H new ATOM 0 HA ASP A 24 6.820 -0.315 -0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.693 1.642 1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.317 0.691 2.302 1.00 0.00 H new ATOM 309 N VAL A 25 3.973 -0.465 -0.860 1.00 0.00 N ATOM 310 CA VAL A 25 2.752 -1.238 -1.054 1.00 0.00 C ATOM 311 C VAL A 25 3.067 -2.655 -1.524 1.00 0.00 C ATOM 312 O VAL A 25 3.521 -2.859 -2.648 1.00 0.00 O ATOM 313 CB VAL A 25 1.817 -0.566 -2.077 1.00 0.00 C ATOM 314 CG1 VAL A 25 0.471 -1.273 -2.117 1.00 0.00 C ATOM 315 CG2 VAL A 25 1.645 0.910 -1.750 1.00 0.00 C ATOM 0 H VAL A 25 4.187 0.183 -1.618 1.00 0.00 H new ATOM 0 HA VAL A 25 2.249 -1.281 -0.088 1.00 0.00 H new ATOM 0 HB VAL A 25 2.270 -0.646 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.176 -0.784 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.616 -2.315 -2.402 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.007 -1.228 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.982 1.370 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.214 1.014 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.616 1.405 -1.779 1.00 0.00 H new ATOM 325 N GLN A 26 2.820 -3.629 -0.652 1.00 0.00 N ATOM 326 CA GLN A 26 3.078 -5.026 -0.979 1.00 0.00 C ATOM 327 C GLN A 26 2.129 -5.947 -0.218 1.00 0.00 C ATOM 328 O GLN A 26 1.824 -5.711 0.950 1.00 0.00 O ATOM 329 CB GLN A 26 4.528 -5.389 -0.654 1.00 0.00 C ATOM 330 CG GLN A 26 5.549 -4.598 -1.459 1.00 0.00 C ATOM 331 CD GLN A 26 6.977 -4.955 -1.099 1.00 0.00 C ATOM 332 OE1 GLN A 26 7.625 -5.742 -1.791 1.00 0.00 O ATOM 333 NE2 GLN A 26 7.477 -4.377 -0.013 1.00 0.00 N ATOM 0 H GLN A 26 2.443 -3.476 0.283 1.00 0.00 H new ATOM 0 HA GLN A 26 2.908 -5.160 -2.047 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.706 -5.221 0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.678 -6.453 -0.838 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.389 -4.781 -2.522 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.391 -3.532 -1.292 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.904 -3.731 0.531 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.434 -4.579 0.278 1.00 0.00 H new ATOM 342 N ALA A 27 1.663 -6.995 -0.891 1.00 0.00 N ATOM 343 CA ALA A 27 0.751 -7.951 -0.278 1.00 0.00 C ATOM 344 C ALA A 27 1.424 -9.306 -0.083 1.00 0.00 C ATOM 345 O ALA A 27 1.936 -9.898 -1.034 1.00 0.00 O ATOM 346 CB ALA A 27 -0.504 -8.100 -1.126 1.00 0.00 C ATOM 0 H ALA A 27 1.903 -7.202 -1.861 1.00 0.00 H new ATOM 0 HA ALA A 27 0.471 -7.570 0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.177 -8.817 -0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.003 -7.135 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.231 -8.455 -2.120 1.00 0.00 H new ATOM 352 N ARG A 28 1.420 -9.790 1.154 1.00 0.00 N ATOM 353 CA ARG A 28 2.032 -11.074 1.474 1.00 0.00 C ATOM 354 C ARG A 28 0.999 -12.044 2.036 1.00 0.00 C ATOM 355 O ARG A 28 0.332 -11.751 3.029 1.00 0.00 O ATOM 356 CB ARG A 28 3.169 -10.885 2.479 1.00 0.00 C ATOM 357 CG ARG A 28 2.736 -10.211 3.770 1.00 0.00 C ATOM 358 CD ARG A 28 3.929 -9.701 4.561 1.00 0.00 C ATOM 359 NE ARG A 28 4.253 -10.572 5.687 1.00 0.00 N ATOM 360 CZ ARG A 28 5.432 -10.575 6.299 1.00 0.00 C ATOM 361 NH1 ARG A 28 6.394 -9.756 5.896 1.00 0.00 N ATOM 362 NH2 ARG A 28 5.650 -11.398 7.317 1.00 0.00 N ATOM 0 H ARG A 28 1.000 -9.313 1.951 1.00 0.00 H new ATOM 0 HA ARG A 28 2.436 -11.494 0.553 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.600 -11.858 2.714 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.957 -10.291 2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.068 -9.380 3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.170 -10.917 4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.794 -9.623 3.902 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.717 -8.697 4.929 1.00 0.00 H new ATOM 0 HE ARG A 28 3.534 -11.214 6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.230 -9.122 5.114 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.298 -9.760 6.368 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.912 -12.029 7.630 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.556 -11.400 7.786 1.00 0.00 H new ATOM 376 N MET A 29 0.869 -13.200 1.395 1.00 0.00 N ATOM 377 CA MET A 29 -0.083 -14.215 1.831 1.00 0.00 C ATOM 378 C MET A 29 0.469 -15.009 3.011 1.00 0.00 C ATOM 379 O MET A 29 1.660 -15.321 3.059 1.00 0.00 O ATOM 380 CB MET A 29 -0.419 -15.161 0.678 1.00 0.00 C ATOM 381 CG MET A 29 -1.838 -15.004 0.154 1.00 0.00 C ATOM 382 SD MET A 29 -3.083 -15.385 1.402 1.00 0.00 S ATOM 383 CE MET A 29 -4.161 -16.482 0.480 1.00 0.00 C ATOM 0 H MET A 29 1.412 -13.458 0.571 1.00 0.00 H new ATOM 0 HA MET A 29 -0.993 -13.708 2.151 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.282 -14.988 -0.139 1.00 0.00 H new ATOM 0 HB3 MET A 29 -0.275 -16.189 1.009 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.981 -13.982 -0.197 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.979 -15.659 -0.706 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.794 -17.036 1.173 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.786 -15.896 -0.194 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.559 -17.181 -0.100 1.00 0.00 H new ATOM 393 N LEU A 30 -0.402 -15.332 3.961 1.00 0.00 N ATOM 394 CA LEU A 30 0.001 -16.090 5.142 1.00 0.00 C ATOM 395 C LEU A 30 -0.831 -17.360 5.282 1.00 0.00 C ATOM 396 O LEU A 30 -0.334 -18.393 5.731 1.00 0.00 O ATOM 397 CB LEU A 30 -0.145 -15.228 6.398 1.00 0.00 C ATOM 398 CG LEU A 30 0.218 -13.751 6.246 1.00 0.00 C ATOM 399 CD1 LEU A 30 -0.227 -12.964 7.468 1.00 0.00 C ATOM 400 CD2 LEU A 30 1.714 -13.591 6.020 1.00 0.00 C ATOM 0 H LEU A 30 -1.390 -15.082 3.937 1.00 0.00 H new ATOM 0 HA LEU A 30 1.047 -16.374 5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.177 -15.294 6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.480 -15.656 7.182 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.305 -13.355 5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.040 -11.915 7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.307 -13.052 7.584 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.267 -13.360 8.355 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.955 -12.533 5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.257 -14.003 6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.004 -14.122 5.113 1.00 0.00 H new ATOM 412 N SER A 31 -2.100 -17.277 4.894 1.00 0.00 N ATOM 413 CA SER A 31 -3.002 -18.419 4.978 1.00 0.00 C ATOM 414 C SER A 31 -3.606 -18.737 3.614 1.00 0.00 C ATOM 415 O SER A 31 -3.153 -18.228 2.588 1.00 0.00 O ATOM 416 CB SER A 31 -4.115 -18.144 5.991 1.00 0.00 C ATOM 417 OG SER A 31 -4.374 -19.287 6.788 1.00 0.00 O ATOM 0 H SER A 31 -2.526 -16.430 4.518 1.00 0.00 H new ATOM 0 HA SER A 31 -2.425 -19.282 5.309 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.831 -17.308 6.630 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.024 -17.849 5.466 1.00 0.00 H new ATOM 0 HG SER A 31 -5.088 -19.084 7.428 1.00 0.00 H new ATOM 423 N SER A 32 -4.634 -19.580 3.609 1.00 0.00 N ATOM 424 CA SER A 32 -5.300 -19.969 2.372 1.00 0.00 C ATOM 425 C SER A 32 -6.517 -19.087 2.110 1.00 0.00 C ATOM 426 O SER A 32 -7.169 -19.201 1.071 1.00 0.00 O ATOM 427 CB SER A 32 -5.723 -21.437 2.435 1.00 0.00 C ATOM 428 OG SER A 32 -6.204 -21.773 3.725 1.00 0.00 O ATOM 0 H SER A 32 -5.024 -20.007 4.449 1.00 0.00 H new ATOM 0 HA SER A 32 -4.595 -19.837 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.498 -21.628 1.693 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.876 -22.074 2.182 1.00 0.00 H new ATOM 0 HG SER A 32 -6.470 -22.716 3.740 1.00 0.00 H new ATOM 434 N THR A 33 -6.817 -18.207 3.059 1.00 0.00 N ATOM 435 CA THR A 33 -7.956 -17.305 2.932 1.00 0.00 C ATOM 436 C THR A 33 -7.760 -16.050 3.775 1.00 0.00 C ATOM 437 O THR A 33 -8.725 -15.437 4.232 1.00 0.00 O ATOM 438 CB THR A 33 -9.267 -17.993 3.359 1.00 0.00 C ATOM 439 OG1 THR A 33 -9.047 -18.783 4.533 1.00 0.00 O ATOM 440 CG2 THR A 33 -9.801 -18.878 2.242 1.00 0.00 C ATOM 0 H THR A 33 -6.288 -18.099 3.924 1.00 0.00 H new ATOM 0 HA THR A 33 -8.023 -17.028 1.880 1.00 0.00 H new ATOM 0 HB THR A 33 -10.004 -17.219 3.575 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.886 -19.215 4.798 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.727 -19.354 2.566 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.995 -18.271 1.358 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.064 -19.644 2.001 1.00 0.00 H new ATOM 448 N THR A 34 -6.502 -15.668 3.976 1.00 0.00 N ATOM 449 CA THR A 34 -6.178 -14.485 4.762 1.00 0.00 C ATOM 450 C THR A 34 -4.920 -13.802 4.236 1.00 0.00 C ATOM 451 O THR A 34 -3.842 -14.396 4.220 1.00 0.00 O ATOM 452 CB THR A 34 -5.974 -14.837 6.248 1.00 0.00 C ATOM 453 OG1 THR A 34 -6.520 -16.131 6.524 1.00 0.00 O ATOM 454 CG2 THR A 34 -6.633 -13.800 7.145 1.00 0.00 C ATOM 0 H THR A 34 -5.691 -16.162 3.604 1.00 0.00 H new ATOM 0 HA THR A 34 -7.023 -13.803 4.670 1.00 0.00 H new ATOM 0 HB THR A 34 -4.904 -14.844 6.454 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.385 -16.348 7.470 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.476 -14.070 8.189 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.194 -12.821 6.953 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.702 -13.765 6.936 1.00 0.00 H new ATOM 462 N ILE A 35 -5.067 -12.553 3.809 1.00 0.00 N ATOM 463 CA ILE A 35 -3.941 -11.789 3.282 1.00 0.00 C ATOM 464 C ILE A 35 -3.581 -10.634 4.210 1.00 0.00 C ATOM 465 O ILE A 35 -4.267 -10.382 5.201 1.00 0.00 O ATOM 466 CB ILE A 35 -4.245 -11.232 1.880 1.00 0.00 C ATOM 467 CG1 ILE A 35 -5.419 -10.250 1.941 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.545 -12.366 0.912 1.00 0.00 C ATOM 469 CD1 ILE A 35 -5.661 -9.517 0.640 1.00 0.00 C ATOM 0 H ILE A 35 -5.953 -12.048 3.817 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.097 -12.475 3.214 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.366 -10.697 1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.323 -10.793 2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.232 -9.521 2.730 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.758 -11.955 -0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.682 -13.030 0.850 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.410 -12.927 1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.507 -8.839 0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.772 -8.946 0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.879 -10.237 -0.148 1.00 0.00 H new ATOM 481 N LEU A 36 -2.501 -9.933 3.881 1.00 0.00 N ATOM 482 CA LEU A 36 -2.049 -8.802 4.684 1.00 0.00 C ATOM 483 C LEU A 36 -1.444 -7.715 3.800 1.00 0.00 C ATOM 484 O LEU A 36 -0.488 -7.959 3.065 1.00 0.00 O ATOM 485 CB LEU A 36 -1.022 -9.263 5.719 1.00 0.00 C ATOM 486 CG LEU A 36 -0.637 -8.237 6.785 1.00 0.00 C ATOM 487 CD1 LEU A 36 -0.135 -8.935 8.040 1.00 0.00 C ATOM 488 CD2 LEU A 36 0.415 -7.280 6.247 1.00 0.00 C ATOM 0 H LEU A 36 -1.922 -10.128 3.064 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.914 -8.386 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.413 -10.149 6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.117 -9.568 5.193 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.524 -7.660 7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.135 -8.189 8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.920 -9.580 8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.740 -9.537 7.796 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.677 -6.556 7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.304 -7.841 5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.019 -6.755 5.377 1.00 0.00 H new ATOM 500 N VAL A 37 -2.008 -6.514 3.880 1.00 0.00 N ATOM 501 CA VAL A 37 -1.522 -5.388 3.090 1.00 0.00 C ATOM 502 C VAL A 37 -0.835 -4.352 3.974 1.00 0.00 C ATOM 503 O VAL A 37 -1.412 -3.878 4.953 1.00 0.00 O ATOM 504 CB VAL A 37 -2.668 -4.707 2.318 1.00 0.00 C ATOM 505 CG1 VAL A 37 -2.120 -3.664 1.357 1.00 0.00 C ATOM 506 CG2 VAL A 37 -3.498 -5.744 1.574 1.00 0.00 C ATOM 0 H VAL A 37 -2.801 -6.295 4.483 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.802 -5.790 2.377 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.315 -4.201 3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.945 -3.194 0.821 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.572 -2.906 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.450 -4.143 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.303 -5.246 1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.864 -6.279 0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.922 -6.450 2.287 1.00 0.00 H new ATOM 516 N GLN A 38 0.398 -4.007 3.622 1.00 0.00 N ATOM 517 CA GLN A 38 1.164 -3.028 4.384 1.00 0.00 C ATOM 518 C GLN A 38 1.825 -2.013 3.456 1.00 0.00 C ATOM 519 O GLN A 38 2.442 -2.381 2.457 1.00 0.00 O ATOM 520 CB GLN A 38 2.227 -3.727 5.232 1.00 0.00 C ATOM 521 CG GLN A 38 3.122 -4.663 4.437 1.00 0.00 C ATOM 522 CD GLN A 38 4.368 -5.068 5.200 1.00 0.00 C ATOM 523 OE1 GLN A 38 5.484 -4.962 4.691 1.00 0.00 O ATOM 524 NE2 GLN A 38 4.183 -5.535 6.429 1.00 0.00 N ATOM 0 H GLN A 38 0.889 -4.390 2.814 1.00 0.00 H new ATOM 0 HA GLN A 38 0.475 -2.499 5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.845 -2.973 5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.734 -4.293 6.022 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.559 -5.557 4.168 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.413 -4.177 3.506 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.240 -5.606 6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.984 -5.823 6.991 1.00 0.00 H new ATOM 533 N TRP A 39 1.690 -0.735 3.794 1.00 0.00 N ATOM 534 CA TRP A 39 2.275 0.333 2.992 1.00 0.00 C ATOM 535 C TRP A 39 2.753 1.479 3.876 1.00 0.00 C ATOM 536 O TRP A 39 2.558 1.462 5.091 1.00 0.00 O ATOM 537 CB TRP A 39 1.255 0.849 1.973 1.00 0.00 C ATOM 538 CG TRP A 39 0.023 1.423 2.604 1.00 0.00 C ATOM 539 CD1 TRP A 39 -0.165 2.714 3.009 1.00 0.00 C ATOM 540 CD2 TRP A 39 -1.189 0.725 2.905 1.00 0.00 C ATOM 541 NE1 TRP A 39 -1.423 2.861 3.542 1.00 0.00 N ATOM 542 CE2 TRP A 39 -2.071 1.655 3.490 1.00 0.00 C ATOM 543 CE3 TRP A 39 -1.618 -0.594 2.736 1.00 0.00 C ATOM 544 CZ2 TRP A 39 -3.353 1.306 3.906 1.00 0.00 C ATOM 545 CZ3 TRP A 39 -2.890 -0.940 3.149 1.00 0.00 C ATOM 546 CH2 TRP A 39 -3.747 0.007 3.727 1.00 0.00 C ATOM 0 H TRP A 39 1.181 -0.414 4.617 1.00 0.00 H new ATOM 0 HA TRP A 39 3.136 -0.074 2.461 1.00 0.00 H new ATOM 0 HB2 TRP A 39 1.726 1.612 1.353 1.00 0.00 H new ATOM 0 HB3 TRP A 39 0.968 0.032 1.311 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.567 3.503 2.923 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -1.811 3.727 3.916 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.966 -1.331 2.290 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.013 2.034 4.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -3.230 -1.957 3.024 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.737 -0.294 4.037 1.00 0.00 H new ATOM 557 N LYS A 40 3.381 2.474 3.259 1.00 0.00 N ATOM 558 CA LYS A 40 3.887 3.630 3.989 1.00 0.00 C ATOM 559 C LYS A 40 3.154 4.901 3.571 1.00 0.00 C ATOM 560 O LYS A 40 2.374 4.894 2.620 1.00 0.00 O ATOM 561 CB LYS A 40 5.389 3.793 3.750 1.00 0.00 C ATOM 562 CG LYS A 40 6.250 3.075 4.776 1.00 0.00 C ATOM 563 CD LYS A 40 7.684 3.574 4.747 1.00 0.00 C ATOM 564 CE LYS A 40 8.185 3.912 6.143 1.00 0.00 C ATOM 565 NZ LYS A 40 8.800 2.731 6.812 1.00 0.00 N ATOM 0 H LYS A 40 3.552 2.503 2.254 1.00 0.00 H new ATOM 0 HA LYS A 40 3.711 3.463 5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.633 3.417 2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.637 4.854 3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.832 3.224 5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.233 2.003 4.580 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.326 2.813 4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.750 4.457 4.112 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.917 4.717 6.081 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.356 4.281 6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.129 3.002 7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.094 1.972 6.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.607 2.394 6.249 1.00 0.00 H new ATOM 579 N GLU A 41 3.412 5.990 4.288 1.00 0.00 N ATOM 580 CA GLU A 41 2.777 7.269 3.989 1.00 0.00 C ATOM 581 C GLU A 41 3.279 7.829 2.661 1.00 0.00 C ATOM 582 O GLU A 41 4.340 7.455 2.162 1.00 0.00 O ATOM 583 CB GLU A 41 3.047 8.273 5.112 1.00 0.00 C ATOM 584 CG GLU A 41 2.045 8.194 6.252 1.00 0.00 C ATOM 585 CD GLU A 41 2.677 8.460 7.604 1.00 0.00 C ATOM 586 OE1 GLU A 41 3.653 9.237 7.661 1.00 0.00 O ATOM 587 OE2 GLU A 41 2.195 7.890 8.606 1.00 0.00 O ATOM 0 H GLU A 41 4.055 6.013 5.079 1.00 0.00 H new ATOM 0 HA GLU A 41 1.703 7.102 3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 41 4.049 8.103 5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.035 9.281 4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.247 8.916 6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.585 7.206 6.258 1.00 0.00 H new ATOM 594 N PRO A 42 2.497 8.748 2.073 1.00 0.00 N ATOM 595 CA PRO A 42 2.842 9.380 0.797 1.00 0.00 C ATOM 596 C PRO A 42 4.030 10.325 0.919 1.00 0.00 C ATOM 597 O PRO A 42 4.505 10.602 2.019 1.00 0.00 O ATOM 598 CB PRO A 42 1.573 10.157 0.433 1.00 0.00 C ATOM 599 CG PRO A 42 0.906 10.423 1.739 1.00 0.00 C ATOM 600 CD PRO A 42 1.220 9.241 2.614 1.00 0.00 C ATOM 0 HA PRO A 42 3.140 8.648 0.047 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.812 11.085 -0.086 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.930 9.578 -0.230 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.275 11.347 2.184 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.170 10.539 1.611 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.311 9.529 3.661 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.440 8.482 2.559 1.00 0.00 H new ATOM 608 N GLU A 43 4.507 10.819 -0.219 1.00 0.00 N ATOM 609 CA GLU A 43 5.643 11.734 -0.238 1.00 0.00 C ATOM 610 C GLU A 43 5.170 13.185 -0.254 1.00 0.00 C ATOM 611 O GLU A 43 5.887 14.087 0.182 1.00 0.00 O ATOM 612 CB GLU A 43 6.527 11.461 -1.456 1.00 0.00 C ATOM 613 CG GLU A 43 5.790 11.568 -2.781 1.00 0.00 C ATOM 614 CD GLU A 43 6.703 11.957 -3.927 1.00 0.00 C ATOM 615 OE1 GLU A 43 7.925 11.722 -3.817 1.00 0.00 O ATOM 616 OE2 GLU A 43 6.197 12.495 -4.933 1.00 0.00 O ATOM 0 H GLU A 43 4.125 10.601 -1.139 1.00 0.00 H new ATOM 0 HA GLU A 43 6.226 11.569 0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.359 12.165 -1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.954 10.462 -1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.316 10.613 -3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.993 12.306 -2.690 1.00 0.00 H new ATOM 623 N GLU A 44 3.962 13.402 -0.761 1.00 0.00 N ATOM 624 CA GLU A 44 3.394 14.745 -0.835 1.00 0.00 C ATOM 625 C GLU A 44 2.014 14.789 -0.184 1.00 0.00 C ATOM 626 O GLU A 44 0.992 14.953 -0.849 1.00 0.00 O ATOM 627 CB GLU A 44 3.298 15.201 -2.293 1.00 0.00 C ATOM 628 CG GLU A 44 4.522 15.960 -2.775 1.00 0.00 C ATOM 629 CD GLU A 44 4.531 17.406 -2.319 1.00 0.00 C ATOM 630 OE1 GLU A 44 3.655 18.174 -2.767 1.00 0.00 O ATOM 631 OE2 GLU A 44 5.413 17.768 -1.512 1.00 0.00 O ATOM 0 H GLU A 44 3.357 12.667 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 44 4.054 15.422 -0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.148 14.328 -2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.419 15.835 -2.410 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.420 15.462 -2.409 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.560 15.926 -3.864 1.00 0.00 H new ATOM 638 N PRO A 45 1.985 14.639 1.149 1.00 0.00 N ATOM 639 CA PRO A 45 0.739 14.659 1.919 1.00 0.00 C ATOM 640 C PRO A 45 0.016 15.998 1.821 1.00 0.00 C ATOM 641 O PRO A 45 -1.165 16.053 1.478 1.00 0.00 O ATOM 642 CB PRO A 45 1.205 14.407 3.355 1.00 0.00 C ATOM 643 CG PRO A 45 2.650 14.774 3.354 1.00 0.00 C ATOM 644 CD PRO A 45 3.166 14.439 2.005 1.00 0.00 C ATOM 0 HA PRO A 45 0.023 13.923 1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.643 15.013 4.066 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.061 13.365 3.641 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.781 15.835 3.568 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.191 14.224 4.124 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.992 15.089 1.714 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.534 13.414 1.955 1.00 0.00 H new ATOM 652 N ASN A 46 0.734 17.076 2.122 1.00 0.00 N ATOM 653 CA ASN A 46 0.160 18.415 2.067 1.00 0.00 C ATOM 654 C ASN A 46 -0.965 18.568 3.085 1.00 0.00 C ATOM 655 O ASN A 46 -1.857 19.397 2.918 1.00 0.00 O ATOM 656 CB ASN A 46 -0.365 18.710 0.660 1.00 0.00 C ATOM 657 CG ASN A 46 0.595 18.258 -0.423 1.00 0.00 C ATOM 658 OD1 ASN A 46 1.780 18.592 -0.397 1.00 0.00 O ATOM 659 ND2 ASN A 46 0.087 17.494 -1.384 1.00 0.00 N ATOM 0 H ASN A 46 1.713 17.048 2.406 1.00 0.00 H new ATOM 0 HA ASN A 46 0.946 19.130 2.312 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.325 18.212 0.522 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.544 19.780 0.559 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.685 17.160 -2.140 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -0.901 17.241 -1.366 1.00 0.00 H new ATOM 666 N GLY A 47 -0.914 17.761 4.140 1.00 0.00 N ATOM 667 CA GLY A 47 -1.935 17.821 5.171 1.00 0.00 C ATOM 668 C GLY A 47 -1.943 16.589 6.053 1.00 0.00 C ATOM 669 O GLY A 47 -1.235 15.620 5.780 1.00 0.00 O ATOM 0 H GLY A 47 -0.184 17.067 4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.772 18.705 5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.913 17.935 4.703 1.00 0.00 H new ATOM 673 N GLN A 48 -2.744 16.626 7.112 1.00 0.00 N ATOM 674 CA GLN A 48 -2.838 15.504 8.037 1.00 0.00 C ATOM 675 C GLN A 48 -3.617 14.350 7.415 1.00 0.00 C ATOM 676 O GLN A 48 -4.805 14.479 7.118 1.00 0.00 O ATOM 677 CB GLN A 48 -3.510 15.944 9.339 1.00 0.00 C ATOM 678 CG GLN A 48 -2.602 15.848 10.556 1.00 0.00 C ATOM 679 CD GLN A 48 -2.580 17.125 11.370 1.00 0.00 C ATOM 680 OE1 GLN A 48 -2.527 18.226 10.822 1.00 0.00 O ATOM 681 NE2 GLN A 48 -2.621 16.985 12.690 1.00 0.00 N ATOM 0 H GLN A 48 -3.337 17.421 7.351 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.827 15.161 8.256 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.852 16.973 9.232 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.395 15.330 9.507 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.934 15.025 11.188 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.589 15.612 10.231 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.664 16.053 13.103 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.609 17.809 13.291 1.00 0.00 H new ATOM 690 N ILE A 49 -2.941 13.223 7.222 1.00 0.00 N ATOM 691 CA ILE A 49 -3.571 12.046 6.636 1.00 0.00 C ATOM 692 C ILE A 49 -4.537 11.391 7.619 1.00 0.00 C ATOM 693 O ILE A 49 -4.118 10.805 8.617 1.00 0.00 O ATOM 694 CB ILE A 49 -2.522 11.007 6.196 1.00 0.00 C ATOM 695 CG1 ILE A 49 -1.557 11.624 5.181 1.00 0.00 C ATOM 696 CG2 ILE A 49 -3.205 9.781 5.609 1.00 0.00 C ATOM 697 CD1 ILE A 49 -2.222 12.029 3.884 1.00 0.00 C ATOM 0 H ILE A 49 -1.957 13.100 7.463 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.123 12.387 5.761 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.950 10.696 7.070 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.085 12.499 5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.763 10.909 4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.451 9.056 5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.856 9.333 6.360 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.799 10.075 4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.479 12.458 3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.671 11.153 3.416 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.997 12.768 4.088 1.00 0.00 H new ATOM 709 N GLN A 50 -5.829 11.495 7.327 1.00 0.00 N ATOM 710 CA GLN A 50 -6.854 10.913 8.185 1.00 0.00 C ATOM 711 C GLN A 50 -6.899 9.396 8.027 1.00 0.00 C ATOM 712 O GLN A 50 -7.314 8.679 8.935 1.00 0.00 O ATOM 713 CB GLN A 50 -8.222 11.513 7.858 1.00 0.00 C ATOM 714 CG GLN A 50 -8.262 13.029 7.959 1.00 0.00 C ATOM 715 CD GLN A 50 -8.206 13.521 9.391 1.00 0.00 C ATOM 716 OE1 GLN A 50 -8.642 12.833 10.314 1.00 0.00 O ATOM 717 NE2 GLN A 50 -7.668 14.719 9.584 1.00 0.00 N ATOM 0 H GLN A 50 -6.191 11.976 6.504 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.602 11.144 9.220 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.507 11.217 6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.965 11.092 8.535 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.424 13.448 7.402 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.174 13.397 7.488 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.319 15.255 8.790 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.604 15.103 10.527 1.00 0.00 H new ATOM 726 N GLY A 51 -6.467 8.915 6.864 1.00 0.00 N ATOM 727 CA GLY A 51 -6.467 7.486 6.609 1.00 0.00 C ATOM 728 C GLY A 51 -6.122 7.156 5.171 1.00 0.00 C ATOM 729 O GLY A 51 -5.481 7.949 4.480 1.00 0.00 O ATOM 0 H GLY A 51 -6.118 9.488 6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.750 7.001 7.272 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.449 7.077 6.847 1.00 0.00 H new ATOM 733 N TYR A 52 -6.547 5.982 4.717 1.00 0.00 N ATOM 734 CA TYR A 52 -6.276 5.545 3.352 1.00 0.00 C ATOM 735 C TYR A 52 -7.424 4.699 2.812 1.00 0.00 C ATOM 736 O TYR A 52 -8.295 4.261 3.565 1.00 0.00 O ATOM 737 CB TYR A 52 -4.971 4.749 3.299 1.00 0.00 C ATOM 738 CG TYR A 52 -3.827 5.409 4.035 1.00 0.00 C ATOM 739 CD1 TYR A 52 -3.608 5.161 5.384 1.00 0.00 C ATOM 740 CD2 TYR A 52 -2.967 6.282 3.381 1.00 0.00 C ATOM 741 CE1 TYR A 52 -2.564 5.762 6.060 1.00 0.00 C ATOM 742 CE2 TYR A 52 -1.920 6.888 4.049 1.00 0.00 C ATOM 743 CZ TYR A 52 -1.723 6.626 5.389 1.00 0.00 C ATOM 744 OH TYR A 52 -0.682 7.227 6.058 1.00 0.00 O ATOM 0 H TYR A 52 -7.081 5.315 5.275 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.178 6.432 2.726 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -5.142 3.759 3.723 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.686 4.604 2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.265 4.487 5.913 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.119 6.491 2.332 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.407 5.557 7.109 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.260 7.563 3.525 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.364 6.633 6.769 1.00 0.00 H new ATOM 754 N ARG A 53 -7.418 4.472 1.503 1.00 0.00 N ATOM 755 CA ARG A 53 -8.459 3.679 0.860 1.00 0.00 C ATOM 756 C ARG A 53 -7.852 2.518 0.076 1.00 0.00 C ATOM 757 O ARG A 53 -6.896 2.698 -0.678 1.00 0.00 O ATOM 758 CB ARG A 53 -9.296 4.556 -0.074 1.00 0.00 C ATOM 759 CG ARG A 53 -10.671 3.983 -0.376 1.00 0.00 C ATOM 760 CD ARG A 53 -11.584 5.027 -1.002 1.00 0.00 C ATOM 761 NE ARG A 53 -12.313 5.790 0.007 1.00 0.00 N ATOM 762 CZ ARG A 53 -13.207 6.730 -0.285 1.00 0.00 C ATOM 763 NH1 ARG A 53 -13.478 7.019 -1.551 1.00 0.00 N ATOM 764 NH2 ARG A 53 -13.829 7.380 0.688 1.00 0.00 N ATOM 0 H ARG A 53 -6.704 4.826 0.867 1.00 0.00 H new ATOM 0 HA ARG A 53 -9.103 3.272 1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.413 5.542 0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.755 4.694 -1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.572 3.133 -1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.121 3.609 0.544 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.991 5.708 -1.613 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.293 4.536 -1.668 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.126 5.591 0.990 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.000 6.520 -2.302 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.164 7.740 -1.774 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.622 7.159 1.662 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.515 8.101 0.463 1.00 0.00 H new ATOM 778 N VAL A 54 -8.416 1.328 0.262 1.00 0.00 N ATOM 779 CA VAL A 54 -7.931 0.139 -0.428 1.00 0.00 C ATOM 780 C VAL A 54 -8.990 -0.419 -1.372 1.00 0.00 C ATOM 781 O VAL A 54 -10.183 -0.392 -1.068 1.00 0.00 O ATOM 782 CB VAL A 54 -7.519 -0.960 0.571 1.00 0.00 C ATOM 783 CG1 VAL A 54 -7.042 -2.202 -0.168 1.00 0.00 C ATOM 784 CG2 VAL A 54 -6.443 -0.446 1.514 1.00 0.00 C ATOM 0 H VAL A 54 -9.208 1.163 0.884 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.057 0.442 -1.005 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.391 -1.232 1.165 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -6.755 -2.967 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.846 -2.581 -0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.183 -1.948 -0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.164 -1.235 2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.568 -0.145 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.825 0.411 2.069 1.00 0.00 H new ATOM 794 N TYR A 55 -8.546 -0.927 -2.516 1.00 0.00 N ATOM 795 CA TYR A 55 -9.456 -1.489 -3.507 1.00 0.00 C ATOM 796 C TYR A 55 -9.052 -2.916 -3.868 1.00 0.00 C ATOM 797 O TYR A 55 -7.975 -3.149 -4.417 1.00 0.00 O ATOM 798 CB TYR A 55 -9.476 -0.619 -4.765 1.00 0.00 C ATOM 799 CG TYR A 55 -10.039 0.766 -4.534 1.00 0.00 C ATOM 800 CD1 TYR A 55 -9.323 1.715 -3.815 1.00 0.00 C ATOM 801 CD2 TYR A 55 -11.285 1.122 -5.032 1.00 0.00 C ATOM 802 CE1 TYR A 55 -9.833 2.981 -3.602 1.00 0.00 C ATOM 803 CE2 TYR A 55 -11.802 2.386 -4.824 1.00 0.00 C ATOM 804 CZ TYR A 55 -11.072 3.312 -4.109 1.00 0.00 C ATOM 805 OH TYR A 55 -11.583 4.572 -3.897 1.00 0.00 O ATOM 0 H TYR A 55 -7.561 -0.961 -2.780 1.00 0.00 H new ATOM 0 HA TYR A 55 -10.456 -1.511 -3.074 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.461 -0.530 -5.151 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -10.066 -1.119 -5.533 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -8.352 1.459 -3.416 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -11.860 0.399 -5.591 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.264 3.708 -3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -12.772 2.648 -5.219 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.464 4.643 -4.320 1.00 0.00 H new ATOM 815 N TYR A 56 -9.926 -3.868 -3.556 1.00 0.00 N ATOM 816 CA TYR A 56 -9.661 -5.271 -3.848 1.00 0.00 C ATOM 817 C TYR A 56 -10.942 -5.994 -4.255 1.00 0.00 C ATOM 818 O TYR A 56 -11.976 -5.870 -3.599 1.00 0.00 O ATOM 819 CB TYR A 56 -9.043 -5.958 -2.629 1.00 0.00 C ATOM 820 CG TYR A 56 -10.015 -6.156 -1.486 1.00 0.00 C ATOM 821 CD1 TYR A 56 -10.270 -5.133 -0.579 1.00 0.00 C ATOM 822 CD2 TYR A 56 -10.679 -7.364 -1.315 1.00 0.00 C ATOM 823 CE1 TYR A 56 -11.156 -5.310 0.465 1.00 0.00 C ATOM 824 CE2 TYR A 56 -11.569 -7.549 -0.274 1.00 0.00 C ATOM 825 CZ TYR A 56 -11.803 -6.519 0.614 1.00 0.00 C ATOM 826 OH TYR A 56 -12.687 -6.699 1.652 1.00 0.00 O ATOM 0 H TYR A 56 -10.822 -3.693 -3.102 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.958 -5.316 -4.680 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -8.648 -6.928 -2.931 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -8.198 -5.365 -2.278 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -9.767 -4.184 -0.693 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -10.497 -8.173 -2.007 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -11.342 -4.506 1.162 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -12.078 -8.494 -0.156 1.00 0.00 H new ATOM 0 HH TYR A 56 -12.637 -5.932 2.261 1.00 0.00 H new ATOM 836 N THR A 57 -10.864 -6.751 -5.346 1.00 0.00 N ATOM 837 CA THR A 57 -12.016 -7.493 -5.844 1.00 0.00 C ATOM 838 C THR A 57 -11.582 -8.619 -6.776 1.00 0.00 C ATOM 839 O THR A 57 -10.510 -8.562 -7.378 1.00 0.00 O ATOM 840 CB THR A 57 -12.996 -6.572 -6.593 1.00 0.00 C ATOM 841 OG1 THR A 57 -14.217 -7.270 -6.861 1.00 0.00 O ATOM 842 CG2 THR A 57 -12.390 -6.082 -7.899 1.00 0.00 C ATOM 0 H THR A 57 -10.016 -6.866 -5.901 1.00 0.00 H new ATOM 0 HA THR A 57 -12.519 -7.917 -4.975 1.00 0.00 H new ATOM 0 HB THR A 57 -13.202 -5.709 -5.961 1.00 0.00 H new ATOM 0 HG1 THR A 57 -14.836 -6.677 -7.336 1.00 0.00 H new ATOM 0 HG21 THR A 57 -13.102 -5.433 -8.410 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.477 -5.525 -7.690 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.157 -6.936 -8.535 1.00 0.00 H new ATOM 850 N MET A 58 -12.421 -9.643 -6.889 1.00 0.00 N ATOM 851 CA MET A 58 -12.124 -10.782 -7.752 1.00 0.00 C ATOM 852 C MET A 58 -12.420 -10.452 -9.210 1.00 0.00 C ATOM 853 O MET A 58 -11.862 -11.064 -10.120 1.00 0.00 O ATOM 854 CB MET A 58 -12.938 -12.002 -7.316 1.00 0.00 C ATOM 855 CG MET A 58 -14.441 -11.770 -7.338 1.00 0.00 C ATOM 856 SD MET A 58 -15.369 -13.267 -7.722 1.00 0.00 S ATOM 857 CE MET A 58 -14.535 -14.459 -6.677 1.00 0.00 C ATOM 0 H MET A 58 -13.311 -9.708 -6.395 1.00 0.00 H new ATOM 0 HA MET A 58 -11.062 -11.010 -7.660 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.699 -12.841 -7.970 1.00 0.00 H new ATOM 0 HB3 MET A 58 -12.637 -12.288 -6.308 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.760 -11.388 -6.368 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.676 -11.003 -8.076 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.202 -15.298 -6.478 1.00 0.00 H new ATOM 0 HE2 MET A 58 -13.638 -14.820 -7.181 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.256 -13.985 -5.736 1.00 0.00 H new ATOM 867 N ASP A 59 -13.301 -9.482 -9.426 1.00 0.00 N ATOM 868 CA ASP A 59 -13.672 -9.070 -10.776 1.00 0.00 C ATOM 869 C ASP A 59 -13.178 -7.657 -11.067 1.00 0.00 C ATOM 870 O ASP A 59 -13.941 -6.690 -11.049 1.00 0.00 O ATOM 871 CB ASP A 59 -15.189 -9.142 -10.957 1.00 0.00 C ATOM 872 CG ASP A 59 -15.680 -10.562 -11.154 1.00 0.00 C ATOM 873 OD1 ASP A 59 -14.855 -11.435 -11.495 1.00 0.00 O ATOM 874 OD2 ASP A 59 -16.893 -10.802 -10.969 1.00 0.00 O ATOM 0 H ASP A 59 -13.772 -8.965 -8.683 1.00 0.00 H new ATOM 0 HA ASP A 59 -13.199 -9.754 -11.481 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -15.677 -8.709 -10.084 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.479 -8.538 -11.817 1.00 0.00 H new ATOM 879 N PRO A 60 -11.871 -7.529 -11.341 1.00 0.00 N ATOM 880 CA PRO A 60 -11.248 -6.237 -11.640 1.00 0.00 C ATOM 881 C PRO A 60 -11.685 -5.681 -12.990 1.00 0.00 C ATOM 882 O PRO A 60 -11.380 -4.538 -13.331 1.00 0.00 O ATOM 883 CB PRO A 60 -9.752 -6.560 -11.654 1.00 0.00 C ATOM 884 CG PRO A 60 -9.681 -8.010 -11.991 1.00 0.00 C ATOM 885 CD PRO A 60 -10.903 -8.637 -11.380 1.00 0.00 C ATOM 0 HA PRO A 60 -11.527 -5.473 -10.915 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -9.223 -5.956 -12.391 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.294 -6.355 -10.686 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.664 -8.159 -13.071 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.771 -8.459 -11.593 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -11.270 -9.470 -11.980 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.699 -9.027 -10.383 1.00 0.00 H new ATOM 941 N VAL A 64 -13.139 0.626 -10.401 1.00 0.00 N ATOM 942 CA VAL A 64 -12.739 0.655 -8.999 1.00 0.00 C ATOM 943 C VAL A 64 -13.854 1.211 -8.121 1.00 0.00 C ATOM 944 O VAL A 64 -13.910 0.936 -6.923 1.00 0.00 O ATOM 945 CB VAL A 64 -11.469 1.502 -8.796 1.00 0.00 C ATOM 946 CG1 VAL A 64 -10.248 0.770 -9.327 1.00 0.00 C ATOM 947 CG2 VAL A 64 -11.622 2.860 -9.467 1.00 0.00 C ATOM 0 HA VAL A 64 -12.531 -0.374 -8.707 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.328 1.664 -7.727 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.361 1.384 -9.175 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -10.131 -0.175 -8.796 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.375 0.575 -10.392 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.716 3.446 -9.314 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.788 2.721 -10.535 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -12.472 3.387 -9.033 1.00 0.00 H new ATOM 957 N ASN A 65 -14.742 1.996 -8.725 1.00 0.00 N ATOM 958 CA ASN A 65 -15.855 2.591 -7.998 1.00 0.00 C ATOM 959 C ASN A 65 -16.912 1.541 -7.666 1.00 0.00 C ATOM 960 O ASN A 65 -17.856 1.809 -6.924 1.00 0.00 O ATOM 961 CB ASN A 65 -16.483 3.720 -8.819 1.00 0.00 C ATOM 962 CG ASN A 65 -16.455 5.049 -8.088 1.00 0.00 C ATOM 963 OD1 ASN A 65 -17.211 5.264 -7.139 1.00 0.00 O ATOM 964 ND2 ASN A 65 -15.582 5.948 -8.528 1.00 0.00 N ATOM 0 H ASN A 65 -14.711 2.234 -9.716 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.469 3.000 -7.065 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.951 3.817 -9.765 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -17.514 3.461 -9.059 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.518 6.860 -8.076 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.976 5.726 -9.318 1.00 0.00 H new ATOM 971 N ASN A 66 -16.744 0.345 -8.221 1.00 0.00 N ATOM 972 CA ASN A 66 -17.682 -0.745 -7.985 1.00 0.00 C ATOM 973 C ASN A 66 -17.021 -1.871 -7.194 1.00 0.00 C ATOM 974 O ASN A 66 -17.702 -2.707 -6.599 1.00 0.00 O ATOM 975 CB ASN A 66 -18.214 -1.286 -9.314 1.00 0.00 C ATOM 976 CG ASN A 66 -19.583 -1.925 -9.173 1.00 0.00 C ATOM 977 OD1 ASN A 66 -19.716 -3.015 -8.616 1.00 0.00 O ATOM 978 ND2 ASN A 66 -20.606 -1.248 -9.677 1.00 0.00 N ATOM 0 H ASN A 66 -15.967 0.107 -8.837 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.514 -0.353 -7.400 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -18.269 -0.473 -10.038 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -17.513 -2.020 -9.711 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -21.551 -1.627 -9.611 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -20.448 -0.348 -10.130 1.00 0.00 H new ATOM 985 N TRP A 67 -15.694 -1.883 -7.190 1.00 0.00 N ATOM 986 CA TRP A 67 -14.941 -2.904 -6.472 1.00 0.00 C ATOM 987 C TRP A 67 -15.414 -3.014 -5.027 1.00 0.00 C ATOM 988 O TRP A 67 -16.174 -2.172 -4.547 1.00 0.00 O ATOM 989 CB TRP A 67 -13.445 -2.584 -6.508 1.00 0.00 C ATOM 990 CG TRP A 67 -12.818 -2.831 -7.846 1.00 0.00 C ATOM 991 CD1 TRP A 67 -13.457 -2.902 -9.051 1.00 0.00 C ATOM 992 CD2 TRP A 67 -11.427 -3.038 -8.115 1.00 0.00 C ATOM 993 NE1 TRP A 67 -12.548 -3.142 -10.053 1.00 0.00 N ATOM 994 CE2 TRP A 67 -11.295 -3.228 -9.505 1.00 0.00 C ATOM 995 CE3 TRP A 67 -10.280 -3.079 -7.319 1.00 0.00 C ATOM 996 CZ2 TRP A 67 -10.063 -3.458 -10.111 1.00 0.00 C ATOM 997 CZ3 TRP A 67 -9.058 -3.308 -7.922 1.00 0.00 C ATOM 998 CH2 TRP A 67 -8.956 -3.494 -9.307 1.00 0.00 C ATOM 0 H TRP A 67 -15.117 -1.197 -7.676 1.00 0.00 H new ATOM 0 HA TRP A 67 -15.113 -3.861 -6.965 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -13.297 -1.540 -6.232 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -12.933 -3.187 -5.758 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -14.521 -2.786 -9.195 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -12.770 -3.240 -11.044 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -10.347 -2.934 -6.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -9.984 -3.603 -11.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -8.166 -3.344 -7.315 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -7.986 -3.669 -9.748 1.00 0.00 H new ATOM 1009 N MET A 68 -14.963 -4.058 -4.338 1.00 0.00 N ATOM 1010 CA MET A 68 -15.342 -4.276 -2.947 1.00 0.00 C ATOM 1011 C MET A 68 -14.873 -3.120 -2.069 1.00 0.00 C ATOM 1012 O MET A 68 -15.611 -2.642 -1.207 1.00 0.00 O ATOM 1013 CB MET A 68 -14.752 -5.592 -2.436 1.00 0.00 C ATOM 1014 CG MET A 68 -15.787 -6.532 -1.840 1.00 0.00 C ATOM 1015 SD MET A 68 -15.044 -7.942 -1.000 1.00 0.00 S ATOM 1016 CE MET A 68 -14.770 -9.052 -2.380 1.00 0.00 C ATOM 0 H MET A 68 -14.335 -4.765 -4.720 1.00 0.00 H new ATOM 0 HA MET A 68 -16.429 -4.330 -2.896 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.246 -6.097 -3.259 1.00 0.00 H new ATOM 0 HB3 MET A 68 -13.996 -5.373 -1.682 1.00 0.00 H new ATOM 0 HG2 MET A 68 -16.409 -5.981 -1.135 1.00 0.00 H new ATOM 0 HG3 MET A 68 -16.444 -6.891 -2.632 1.00 0.00 H new ATOM 0 HE1 MET A 68 -14.313 -9.974 -2.020 1.00 0.00 H new ATOM 0 HE2 MET A 68 -15.723 -9.281 -2.857 1.00 0.00 H new ATOM 0 HE3 MET A 68 -14.107 -8.577 -3.103 1.00 0.00 H new ATOM 1026 N LYS A 69 -13.640 -2.675 -2.292 1.00 0.00 N ATOM 1027 CA LYS A 69 -13.073 -1.575 -1.522 1.00 0.00 C ATOM 1028 C LYS A 69 -12.959 -1.945 -0.046 1.00 0.00 C ATOM 1029 O LYS A 69 -13.601 -2.887 0.419 1.00 0.00 O ATOM 1030 CB LYS A 69 -13.932 -0.318 -1.680 1.00 0.00 C ATOM 1031 CG LYS A 69 -14.224 0.043 -3.126 1.00 0.00 C ATOM 1032 CD LYS A 69 -15.340 1.068 -3.231 1.00 0.00 C ATOM 1033 CE LYS A 69 -14.806 2.438 -3.615 1.00 0.00 C ATOM 1034 NZ LYS A 69 -15.681 3.534 -3.113 1.00 0.00 N ATOM 0 H LYS A 69 -13.015 -3.060 -3.000 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.073 -1.374 -1.906 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.875 -0.464 -1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.426 0.520 -1.200 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -13.321 0.438 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.501 -0.856 -3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.068 0.740 -3.973 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -15.864 1.135 -2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.801 2.562 -3.212 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.725 2.506 -4.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.283 4.453 -3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -16.634 3.430 -3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.738 3.485 -2.076 1.00 0.00 H new ATOM 1048 N HIS A 70 -12.141 -1.195 0.686 1.00 0.00 N ATOM 1049 CA HIS A 70 -11.946 -1.444 2.109 1.00 0.00 C ATOM 1050 C HIS A 70 -11.876 -0.132 2.885 1.00 0.00 C ATOM 1051 O HIS A 70 -12.074 0.943 2.322 1.00 0.00 O ATOM 1052 CB HIS A 70 -10.669 -2.253 2.337 1.00 0.00 C ATOM 1053 CG HIS A 70 -10.800 -3.290 3.410 1.00 0.00 C ATOM 1054 ND1 HIS A 70 -11.917 -4.086 3.555 1.00 0.00 N ATOM 1055 CD2 HIS A 70 -9.945 -3.662 4.392 1.00 0.00 C ATOM 1056 CE1 HIS A 70 -11.744 -4.900 4.581 1.00 0.00 C ATOM 1057 NE2 HIS A 70 -10.555 -4.662 5.106 1.00 0.00 N ATOM 0 H HIS A 70 -11.603 -0.411 0.317 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.799 -2.016 2.473 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.387 -2.741 1.404 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.859 -1.572 2.598 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.965 -3.248 4.578 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -12.454 -5.635 4.931 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -10.156 -5.144 5.911 1.00 0.00 H new ATOM 1065 N ASN A 71 -11.594 -0.231 4.181 1.00 0.00 N ATOM 1066 CA ASN A 71 -11.499 0.948 5.034 1.00 0.00 C ATOM 1067 C ASN A 71 -10.198 0.942 5.829 1.00 0.00 C ATOM 1068 O ASN A 71 -9.628 -0.117 6.098 1.00 0.00 O ATOM 1069 CB ASN A 71 -12.693 1.009 5.989 1.00 0.00 C ATOM 1070 CG ASN A 71 -13.644 2.141 5.654 1.00 0.00 C ATOM 1071 OD1 ASN A 71 -13.994 2.351 4.492 1.00 0.00 O ATOM 1072 ND2 ASN A 71 -14.069 2.880 6.672 1.00 0.00 N ATOM 0 H ASN A 71 -11.428 -1.115 4.662 1.00 0.00 H new ATOM 0 HA ASN A 71 -11.508 1.830 4.394 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -13.232 0.062 5.953 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.332 1.132 7.010 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -14.710 3.656 6.506 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.754 2.672 7.620 1.00 0.00 H new ATOM 1079 N VAL A 72 -9.733 2.129 6.204 1.00 0.00 N ATOM 1080 CA VAL A 72 -8.500 2.260 6.971 1.00 0.00 C ATOM 1081 C VAL A 72 -8.547 3.481 7.883 1.00 0.00 C ATOM 1082 O VAL A 72 -9.106 4.516 7.523 1.00 0.00 O ATOM 1083 CB VAL A 72 -7.273 2.372 6.046 1.00 0.00 C ATOM 1084 CG1 VAL A 72 -6.003 2.547 6.863 1.00 0.00 C ATOM 1085 CG2 VAL A 72 -7.173 1.150 5.144 1.00 0.00 C ATOM 0 H VAL A 72 -10.192 3.014 5.989 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.408 1.359 7.578 1.00 0.00 H new ATOM 0 HB VAL A 72 -7.394 3.252 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.147 2.624 6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.078 3.455 7.462 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.872 1.688 7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.301 1.246 4.497 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.075 0.253 5.756 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.072 1.075 4.532 1.00 0.00 H new ATOM 1095 N ALA A 73 -7.955 3.350 9.067 1.00 0.00 N ATOM 1096 CA ALA A 73 -7.928 4.445 10.030 1.00 0.00 C ATOM 1097 C ALA A 73 -6.498 4.786 10.431 1.00 0.00 C ATOM 1098 O ALA A 73 -6.124 4.660 11.598 1.00 0.00 O ATOM 1099 CB ALA A 73 -8.752 4.086 11.259 1.00 0.00 C ATOM 0 H ALA A 73 -7.489 2.499 9.381 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.365 5.325 9.557 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.724 4.912 11.970 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.784 3.897 10.963 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.339 3.191 11.725 1.00 0.00 H new ATOM 1105 N ASP A 74 -5.702 5.217 9.459 1.00 0.00 N ATOM 1106 CA ASP A 74 -4.312 5.577 9.711 1.00 0.00 C ATOM 1107 C ASP A 74 -3.583 4.453 10.440 1.00 0.00 C ATOM 1108 O ASP A 74 -3.074 4.643 11.545 1.00 0.00 O ATOM 1109 CB ASP A 74 -4.238 6.866 10.532 1.00 0.00 C ATOM 1110 CG ASP A 74 -2.904 7.574 10.380 1.00 0.00 C ATOM 1111 OD1 ASP A 74 -2.056 7.079 9.610 1.00 0.00 O ATOM 1112 OD2 ASP A 74 -2.712 8.621 11.031 1.00 0.00 O ATOM 0 H ASP A 74 -5.996 5.326 8.488 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.824 5.739 8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.039 7.537 10.223 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -4.405 6.634 11.584 1.00 0.00 H new ATOM 1117 N SER A 75 -3.537 3.281 9.815 1.00 0.00 N ATOM 1118 CA SER A 75 -2.875 2.125 10.406 1.00 0.00 C ATOM 1119 C SER A 75 -1.682 1.689 9.559 1.00 0.00 C ATOM 1120 O SER A 75 -0.741 1.077 10.062 1.00 0.00 O ATOM 1121 CB SER A 75 -3.862 0.965 10.552 1.00 0.00 C ATOM 1122 OG SER A 75 -4.376 0.896 11.871 1.00 0.00 O ATOM 0 H SER A 75 -3.951 3.107 8.899 1.00 0.00 H new ATOM 0 HA SER A 75 -2.512 2.411 11.393 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.682 1.090 9.845 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.366 0.027 10.302 1.00 0.00 H new ATOM 0 HG SER A 75 -5.005 0.148 11.938 1.00 0.00 H new ATOM 1128 N GLN A 76 -1.732 2.011 8.270 1.00 0.00 N ATOM 1129 CA GLN A 76 -0.657 1.654 7.352 1.00 0.00 C ATOM 1130 C GLN A 76 -0.520 0.139 7.238 1.00 0.00 C ATOM 1131 O GLN A 76 0.497 -0.368 6.765 1.00 0.00 O ATOM 1132 CB GLN A 76 0.666 2.262 7.820 1.00 0.00 C ATOM 1133 CG GLN A 76 1.071 3.507 7.047 1.00 0.00 C ATOM 1134 CD GLN A 76 2.159 4.299 7.745 1.00 0.00 C ATOM 1135 OE1 GLN A 76 2.800 5.200 7.009 1.00 0.00 O flip ATOM 1136 NE2 GLN A 76 2.423 4.103 8.932 1.00 0.00 N flip ATOM 0 H GLN A 76 -2.505 2.518 7.838 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.905 2.054 6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.588 2.511 8.878 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.453 1.514 7.726 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.417 3.217 6.055 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.197 4.143 6.906 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.905 3.401 9.460 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.159 4.643 9.387 1.00 0.00 H new ATOM 1145 N ILE A 77 -1.551 -0.577 7.673 1.00 0.00 N ATOM 1146 CA ILE A 77 -1.546 -2.034 7.619 1.00 0.00 C ATOM 1147 C ILE A 77 -2.945 -2.597 7.843 1.00 0.00 C ATOM 1148 O ILE A 77 -3.668 -2.160 8.739 1.00 0.00 O ATOM 1149 CB ILE A 77 -0.590 -2.634 8.666 1.00 0.00 C ATOM 1150 CG1 ILE A 77 -0.427 -4.138 8.439 1.00 0.00 C ATOM 1151 CG2 ILE A 77 -1.103 -2.358 10.072 1.00 0.00 C ATOM 1152 CD1 ILE A 77 0.618 -4.775 9.329 1.00 0.00 C ATOM 0 H ILE A 77 -2.400 -0.172 8.067 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.200 -2.311 6.623 1.00 0.00 H new ATOM 0 HB ILE A 77 0.386 -2.162 8.557 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.385 -4.629 8.609 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.160 -4.313 7.397 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.416 -2.788 10.801 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.171 -1.282 10.230 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.089 -2.806 10.194 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.679 -5.842 9.113 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.587 -4.311 9.142 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.342 -4.632 10.374 1.00 0.00 H new ATOM 1164 N THR A 78 -3.324 -3.573 7.023 1.00 0.00 N ATOM 1165 CA THR A 78 -4.635 -4.198 7.132 1.00 0.00 C ATOM 1166 C THR A 78 -4.582 -5.666 6.723 1.00 0.00 C ATOM 1167 O THR A 78 -3.650 -6.099 6.045 1.00 0.00 O ATOM 1168 CB THR A 78 -5.676 -3.473 6.260 1.00 0.00 C ATOM 1169 OG1 THR A 78 -6.989 -3.968 6.550 1.00 0.00 O ATOM 1170 CG2 THR A 78 -5.372 -3.663 4.782 1.00 0.00 C ATOM 0 H THR A 78 -2.740 -3.947 6.275 1.00 0.00 H new ATOM 0 HA THR A 78 -4.932 -4.126 8.178 1.00 0.00 H new ATOM 0 HB THR A 78 -5.631 -2.408 6.490 1.00 0.00 H new ATOM 0 HG1 THR A 78 -7.657 -3.398 6.115 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.121 -3.142 4.186 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.385 -3.258 4.559 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.392 -4.726 4.540 1.00 0.00 H new ATOM 1178 N THR A 79 -5.586 -6.429 7.142 1.00 0.00 N ATOM 1179 CA THR A 79 -5.653 -7.849 6.821 1.00 0.00 C ATOM 1180 C THR A 79 -7.039 -8.234 6.316 1.00 0.00 C ATOM 1181 O THR A 79 -8.028 -8.116 7.040 1.00 0.00 O ATOM 1182 CB THR A 79 -5.304 -8.718 8.043 1.00 0.00 C ATOM 1183 OG1 THR A 79 -5.980 -8.226 9.205 1.00 0.00 O ATOM 1184 CG2 THR A 79 -3.803 -8.729 8.289 1.00 0.00 C ATOM 0 H THR A 79 -6.365 -6.087 7.705 1.00 0.00 H new ATOM 0 HA THR A 79 -4.920 -8.030 6.035 1.00 0.00 H new ATOM 0 HB THR A 79 -5.630 -9.738 7.840 1.00 0.00 H new ATOM 0 HG1 THR A 79 -6.903 -7.994 8.973 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.581 -9.349 9.157 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.294 -9.134 7.414 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.457 -7.712 8.472 1.00 0.00 H new ATOM 1192 N ILE A 80 -7.103 -8.696 5.072 1.00 0.00 N ATOM 1193 CA ILE A 80 -8.369 -9.099 4.472 1.00 0.00 C ATOM 1194 C ILE A 80 -8.494 -10.618 4.426 1.00 0.00 C ATOM 1195 O ILE A 80 -7.512 -11.328 4.214 1.00 0.00 O ATOM 1196 CB ILE A 80 -8.520 -8.539 3.046 1.00 0.00 C ATOM 1197 CG1 ILE A 80 -8.433 -7.011 3.062 1.00 0.00 C ATOM 1198 CG2 ILE A 80 -9.838 -8.993 2.435 1.00 0.00 C ATOM 1199 CD1 ILE A 80 -8.340 -6.397 1.683 1.00 0.00 C ATOM 0 H ILE A 80 -6.294 -8.801 4.460 1.00 0.00 H new ATOM 0 HA ILE A 80 -9.161 -8.689 5.099 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.705 -8.924 2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -9.310 -6.611 3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.562 -6.711 3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.930 -8.589 1.427 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.864 -10.082 2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.666 -8.634 3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.281 -5.312 1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.448 -6.769 1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -9.223 -6.667 1.104 1.00 0.00 H new ATOM 1211 N GLY A 81 -9.714 -11.113 4.623 1.00 0.00 N ATOM 1212 CA GLY A 81 -9.946 -12.545 4.598 1.00 0.00 C ATOM 1213 C GLY A 81 -11.228 -12.911 3.876 1.00 0.00 C ATOM 1214 O GLY A 81 -11.825 -12.078 3.198 1.00 0.00 O ATOM 0 H GLY A 81 -10.544 -10.547 4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.105 -13.038 4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.988 -12.921 5.620 1.00 0.00 H new ATOM 1218 N ASN A 82 -11.651 -14.163 4.022 1.00 0.00 N ATOM 1219 CA ASN A 82 -12.867 -14.639 3.375 1.00 0.00 C ATOM 1220 C ASN A 82 -12.735 -14.583 1.856 1.00 0.00 C ATOM 1221 O ASN A 82 -13.682 -14.228 1.152 1.00 0.00 O ATOM 1222 CB ASN A 82 -14.068 -13.804 3.825 1.00 0.00 C ATOM 1223 CG ASN A 82 -15.391 -14.461 3.483 1.00 0.00 C ATOM 1224 OD1 ASN A 82 -15.714 -15.534 3.993 1.00 0.00 O ATOM 1225 ND2 ASN A 82 -16.165 -13.818 2.616 1.00 0.00 N ATOM 0 H ASN A 82 -11.169 -14.866 4.583 1.00 0.00 H new ATOM 0 HA ASN A 82 -13.022 -15.677 3.669 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -14.013 -13.644 4.902 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -14.021 -12.822 3.354 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.067 -14.211 2.348 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -15.857 -12.931 2.218 1.00 0.00 H new ATOM 1232 N LEU A 83 -11.556 -14.936 1.357 1.00 0.00 N ATOM 1233 CA LEU A 83 -11.300 -14.927 -0.079 1.00 0.00 C ATOM 1234 C LEU A 83 -11.204 -16.349 -0.623 1.00 0.00 C ATOM 1235 O LEU A 83 -11.183 -17.316 0.137 1.00 0.00 O ATOM 1236 CB LEU A 83 -10.009 -14.165 -0.382 1.00 0.00 C ATOM 1237 CG LEU A 83 -9.790 -12.873 0.409 1.00 0.00 C ATOM 1238 CD1 LEU A 83 -8.366 -12.371 0.227 1.00 0.00 C ATOM 1239 CD2 LEU A 83 -10.792 -11.811 -0.021 1.00 0.00 C ATOM 0 H LEU A 83 -10.762 -15.232 1.925 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.134 -14.425 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.166 -14.830 -0.194 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.994 -13.924 -1.445 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.945 -13.085 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.229 -11.452 0.796 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.666 -13.127 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.182 -12.174 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.623 -10.899 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.667 -11.602 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.805 -12.171 0.161 1.00 0.00 H new ATOM 1251 N VAL A 84 -11.144 -16.467 -1.946 1.00 0.00 N ATOM 1252 CA VAL A 84 -11.046 -17.769 -2.593 1.00 0.00 C ATOM 1253 C VAL A 84 -9.595 -18.224 -2.700 1.00 0.00 C ATOM 1254 O VAL A 84 -8.716 -17.479 -3.133 1.00 0.00 O ATOM 1255 CB VAL A 84 -11.670 -17.745 -4.002 1.00 0.00 C ATOM 1256 CG1 VAL A 84 -12.069 -19.147 -4.435 1.00 0.00 C ATOM 1257 CG2 VAL A 84 -12.866 -16.806 -4.038 1.00 0.00 C ATOM 0 H VAL A 84 -11.162 -15.676 -2.590 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.599 -18.473 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.924 -17.374 -4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.508 -19.109 -5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.187 -19.788 -4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.799 -19.551 -3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -13.295 -16.801 -5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -13.617 -17.145 -3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -12.545 -15.798 -3.776 1.00 0.00 H new ATOM 1267 N PRO A 85 -9.335 -19.475 -2.293 1.00 0.00 N ATOM 1268 CA PRO A 85 -7.991 -20.059 -2.335 1.00 0.00 C ATOM 1269 C PRO A 85 -7.514 -20.317 -3.759 1.00 0.00 C ATOM 1270 O PRO A 85 -8.228 -20.916 -4.563 1.00 0.00 O ATOM 1271 CB PRO A 85 -8.154 -21.380 -1.577 1.00 0.00 C ATOM 1272 CG PRO A 85 -9.594 -21.728 -1.729 1.00 0.00 C ATOM 1273 CD PRO A 85 -10.335 -20.420 -1.766 1.00 0.00 C ATOM 0 HA PRO A 85 -7.244 -19.393 -1.903 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -7.513 -22.157 -1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.882 -21.270 -0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.763 -22.298 -2.642 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -9.936 -22.347 -0.899 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.214 -20.474 -2.408 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.682 -20.127 -0.775 1.00 0.00 H new ATOM 1281 N GLN A 86 -6.304 -19.860 -4.066 1.00 0.00 N ATOM 1282 CA GLN A 86 -5.732 -20.043 -5.394 1.00 0.00 C ATOM 1283 C GLN A 86 -6.535 -19.279 -6.442 1.00 0.00 C ATOM 1284 O GLN A 86 -6.834 -19.803 -7.515 1.00 0.00 O ATOM 1285 CB GLN A 86 -5.687 -21.529 -5.754 1.00 0.00 C ATOM 1286 CG GLN A 86 -5.159 -22.410 -4.633 1.00 0.00 C ATOM 1287 CD GLN A 86 -4.760 -23.791 -5.115 1.00 0.00 C ATOM 1288 OE1 GLN A 86 -5.349 -24.328 -6.053 1.00 0.00 O ATOM 1289 NE2 GLN A 86 -3.754 -24.375 -4.474 1.00 0.00 N ATOM 0 H GLN A 86 -5.701 -19.360 -3.412 1.00 0.00 H new ATOM 0 HA GLN A 86 -4.716 -19.649 -5.381 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -6.690 -21.860 -6.023 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.060 -21.662 -6.636 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -4.297 -21.927 -4.172 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.922 -22.505 -3.861 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -3.294 -23.894 -3.701 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -3.442 -25.305 -4.754 1.00 0.00 H new ATOM 1298 N LYS A 87 -6.882 -18.036 -6.122 1.00 0.00 N ATOM 1299 CA LYS A 87 -7.651 -17.198 -7.036 1.00 0.00 C ATOM 1300 C LYS A 87 -7.058 -15.795 -7.116 1.00 0.00 C ATOM 1301 O LYS A 87 -6.887 -15.123 -6.098 1.00 0.00 O ATOM 1302 CB LYS A 87 -9.110 -17.121 -6.583 1.00 0.00 C ATOM 1303 CG LYS A 87 -9.936 -18.332 -6.984 1.00 0.00 C ATOM 1304 CD LYS A 87 -10.027 -18.470 -8.495 1.00 0.00 C ATOM 1305 CE LYS A 87 -11.390 -18.987 -8.926 1.00 0.00 C ATOM 1306 NZ LYS A 87 -11.592 -18.857 -10.397 1.00 0.00 N ATOM 0 H LYS A 87 -6.643 -17.587 -5.238 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.608 -17.649 -8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.140 -17.014 -5.499 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.566 -16.225 -7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.491 -19.233 -6.562 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.938 -18.245 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.839 -17.503 -8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.251 -19.150 -8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.490 -20.033 -8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.170 -18.435 -8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.533 -19.220 -10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.522 -17.856 -10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.863 -19.404 -10.897 1.00 0.00 H new ATOM 1320 N THR A 88 -6.746 -15.357 -8.332 1.00 0.00 N ATOM 1321 CA THR A 88 -6.172 -14.035 -8.544 1.00 0.00 C ATOM 1322 C THR A 88 -7.008 -12.958 -7.865 1.00 0.00 C ATOM 1323 O THR A 88 -8.236 -13.053 -7.808 1.00 0.00 O ATOM 1324 CB THR A 88 -6.056 -13.708 -10.045 1.00 0.00 C ATOM 1325 OG1 THR A 88 -5.493 -14.822 -10.748 1.00 0.00 O ATOM 1326 CG2 THR A 88 -5.191 -12.475 -10.265 1.00 0.00 C ATOM 0 H THR A 88 -6.882 -15.899 -9.185 1.00 0.00 H new ATOM 0 HA THR A 88 -5.175 -14.049 -8.104 1.00 0.00 H new ATOM 0 HB THR A 88 -7.056 -13.505 -10.428 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.424 -14.606 -11.702 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.124 -12.264 -11.332 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.637 -11.622 -9.753 1.00 0.00 H new ATOM 0 HG23 THR A 88 -4.192 -12.655 -9.867 1.00 0.00 H new ATOM 1334 N TYR A 89 -6.339 -11.932 -7.350 1.00 0.00 N ATOM 1335 CA TYR A 89 -7.022 -10.836 -6.673 1.00 0.00 C ATOM 1336 C TYR A 89 -6.295 -9.515 -6.904 1.00 0.00 C ATOM 1337 O TYR A 89 -5.067 -9.475 -6.984 1.00 0.00 O ATOM 1338 CB TYR A 89 -7.123 -11.120 -5.174 1.00 0.00 C ATOM 1339 CG TYR A 89 -8.533 -11.396 -4.702 1.00 0.00 C ATOM 1340 CD1 TYR A 89 -9.096 -12.660 -4.835 1.00 0.00 C ATOM 1341 CD2 TYR A 89 -9.302 -10.394 -4.125 1.00 0.00 C ATOM 1342 CE1 TYR A 89 -10.384 -12.916 -4.407 1.00 0.00 C ATOM 1343 CE2 TYR A 89 -10.590 -10.642 -3.692 1.00 0.00 C ATOM 1344 CZ TYR A 89 -11.127 -11.905 -3.837 1.00 0.00 C ATOM 1345 OH TYR A 89 -12.410 -12.156 -3.407 1.00 0.00 O ATOM 0 H TYR A 89 -5.324 -11.837 -7.389 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.026 -10.754 -7.090 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.494 -11.977 -4.932 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.725 -10.267 -4.624 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -8.517 -13.455 -5.280 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.886 -9.404 -4.013 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.807 -13.904 -4.518 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.173 -9.852 -3.243 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.794 -11.338 -3.029 1.00 0.00 H new ATOM 1355 N SER A 90 -7.062 -8.435 -7.009 1.00 0.00 N ATOM 1356 CA SER A 90 -6.493 -7.111 -7.234 1.00 0.00 C ATOM 1357 C SER A 90 -6.329 -6.360 -5.916 1.00 0.00 C ATOM 1358 O SER A 90 -7.070 -6.589 -4.961 1.00 0.00 O ATOM 1359 CB SER A 90 -7.379 -6.307 -8.187 1.00 0.00 C ATOM 1360 OG SER A 90 -7.470 -6.937 -9.453 1.00 0.00 O ATOM 0 H SER A 90 -8.080 -8.450 -6.942 1.00 0.00 H new ATOM 0 HA SER A 90 -5.509 -7.237 -7.685 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.375 -6.199 -7.758 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.973 -5.302 -8.306 1.00 0.00 H new ATOM 0 HG SER A 90 -8.123 -7.667 -9.409 1.00 0.00 H new ATOM 1366 N VAL A 91 -5.352 -5.460 -5.874 1.00 0.00 N ATOM 1367 CA VAL A 91 -5.090 -4.672 -4.675 1.00 0.00 C ATOM 1368 C VAL A 91 -4.567 -3.285 -5.033 1.00 0.00 C ATOM 1369 O VAL A 91 -3.719 -3.136 -5.912 1.00 0.00 O ATOM 1370 CB VAL A 91 -4.071 -5.371 -3.756 1.00 0.00 C ATOM 1371 CG1 VAL A 91 -3.864 -4.568 -2.481 1.00 0.00 C ATOM 1372 CG2 VAL A 91 -4.527 -6.787 -3.437 1.00 0.00 C ATOM 0 H VAL A 91 -4.729 -5.258 -6.656 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.038 -4.575 -4.146 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.116 -5.430 -4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.141 -5.077 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.490 -3.575 -2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.812 -4.475 -1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.796 -7.267 -2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.493 -6.753 -2.934 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.619 -7.357 -4.362 1.00 0.00 H new ATOM 1382 N LYS A 92 -5.080 -2.270 -4.344 1.00 0.00 N ATOM 1383 CA LYS A 92 -4.664 -0.893 -4.586 1.00 0.00 C ATOM 1384 C LYS A 92 -4.693 -0.082 -3.294 1.00 0.00 C ATOM 1385 O LYS A 92 -5.391 -0.434 -2.342 1.00 0.00 O ATOM 1386 CB LYS A 92 -5.572 -0.241 -5.631 1.00 0.00 C ATOM 1387 CG LYS A 92 -5.805 -1.106 -6.858 1.00 0.00 C ATOM 1388 CD LYS A 92 -6.639 -0.381 -7.901 1.00 0.00 C ATOM 1389 CE LYS A 92 -5.833 0.701 -8.604 1.00 0.00 C ATOM 1390 NZ LYS A 92 -6.318 0.937 -9.992 1.00 0.00 N ATOM 0 H LYS A 92 -5.784 -2.375 -3.614 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.641 -0.909 -4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.533 -0.010 -5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.132 0.706 -5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.846 -1.391 -7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.308 -2.027 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -7.008 -1.097 -8.636 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.512 0.065 -7.425 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.895 1.628 -8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.782 0.413 -8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.647 1.552 -10.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.396 0.028 -10.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.251 1.396 -9.960 1.00 0.00 H new ATOM 1404 N VAL A 93 -3.933 1.008 -3.268 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.874 1.872 -2.095 1.00 0.00 C ATOM 1406 C VAL A 93 -3.718 3.334 -2.497 1.00 0.00 C ATOM 1407 O VAL A 93 -3.059 3.651 -3.489 1.00 0.00 O ATOM 1408 CB VAL A 93 -2.710 1.479 -1.168 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -2.781 2.258 0.138 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -2.721 -0.020 -0.904 1.00 0.00 C ATOM 0 H VAL A 93 -3.349 1.314 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.815 1.744 -1.559 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.773 1.731 -1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.950 1.967 0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.721 3.326 -0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -3.723 2.040 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.891 -0.280 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.661 -0.299 -0.429 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.618 -0.556 -1.847 1.00 0.00 H new ATOM 1420 N LEU A 94 -4.328 4.224 -1.720 1.00 0.00 N ATOM 1421 CA LEU A 94 -4.257 5.654 -1.993 1.00 0.00 C ATOM 1422 C LEU A 94 -4.290 6.459 -0.698 1.00 0.00 C ATOM 1423 O LEU A 94 -4.576 5.920 0.372 1.00 0.00 O ATOM 1424 CB LEU A 94 -5.412 6.078 -2.901 1.00 0.00 C ATOM 1425 CG LEU A 94 -6.755 6.318 -2.209 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -6.884 7.773 -1.786 1.00 0.00 C ATOM 1427 CD2 LEU A 94 -7.904 5.924 -3.126 1.00 0.00 C ATOM 0 H LEU A 94 -4.877 3.979 -0.896 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.313 5.855 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.124 6.993 -3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.550 5.310 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.799 5.696 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.845 7.925 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.080 8.023 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.819 8.415 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.852 6.101 -2.618 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.863 6.521 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.821 4.867 -3.380 1.00 0.00 H new ATOM 1439 N ALA A 95 -3.999 7.752 -0.802 1.00 0.00 N ATOM 1440 CA ALA A 95 -4.000 8.631 0.360 1.00 0.00 C ATOM 1441 C ALA A 95 -5.049 9.728 0.217 1.00 0.00 C ATOM 1442 O ALA A 95 -5.346 10.179 -0.890 1.00 0.00 O ATOM 1443 CB ALA A 95 -2.621 9.241 0.562 1.00 0.00 C ATOM 0 H ALA A 95 -3.760 8.213 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.253 8.034 1.236 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.637 9.895 1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.891 8.447 0.718 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.346 9.819 -0.320 1.00 0.00 H new ATOM 1449 N PHE A 96 -5.613 10.152 1.344 1.00 0.00 N ATOM 1450 CA PHE A 96 -6.631 11.195 1.344 1.00 0.00 C ATOM 1451 C PHE A 96 -6.611 11.974 2.656 1.00 0.00 C ATOM 1452 O PHE A 96 -6.334 11.419 3.719 1.00 0.00 O ATOM 1453 CB PHE A 96 -8.017 10.585 1.122 1.00 0.00 C ATOM 1454 CG PHE A 96 -8.541 9.839 2.315 1.00 0.00 C ATOM 1455 CD1 PHE A 96 -9.258 10.499 3.302 1.00 0.00 C ATOM 1456 CD2 PHE A 96 -8.318 8.478 2.453 1.00 0.00 C ATOM 1457 CE1 PHE A 96 -9.744 9.816 4.401 1.00 0.00 C ATOM 1458 CE2 PHE A 96 -8.801 7.790 3.550 1.00 0.00 C ATOM 1459 CZ PHE A 96 -9.512 8.460 4.525 1.00 0.00 C ATOM 0 H PHE A 96 -5.382 9.789 2.269 1.00 0.00 H new ATOM 0 HA PHE A 96 -6.410 11.884 0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -8.718 11.379 0.863 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -7.975 9.907 0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.439 11.560 3.211 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -7.760 7.949 1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -10.304 10.341 5.161 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.622 6.729 3.644 1.00 0.00 H new ATOM 0 HZ PHE A 96 -9.887 7.924 5.385 1.00 0.00 H new ATOM 1469 N THR A 97 -6.908 13.268 2.573 1.00 0.00 N ATOM 1470 CA THR A 97 -6.922 14.126 3.752 1.00 0.00 C ATOM 1471 C THR A 97 -8.217 14.926 3.832 1.00 0.00 C ATOM 1472 O THR A 97 -9.092 14.799 2.976 1.00 0.00 O ATOM 1473 CB THR A 97 -5.729 15.100 3.752 1.00 0.00 C ATOM 1474 OG1 THR A 97 -5.933 16.128 2.776 1.00 0.00 O ATOM 1475 CG2 THR A 97 -4.430 14.364 3.456 1.00 0.00 C ATOM 0 H THR A 97 -7.142 13.744 1.702 1.00 0.00 H new ATOM 0 HA THR A 97 -6.847 13.472 4.621 1.00 0.00 H new ATOM 0 HB THR A 97 -5.657 15.550 4.742 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.170 16.743 2.785 1.00 0.00 H new ATOM 0 HG21 THR A 97 -3.601 15.072 3.461 1.00 0.00 H new ATOM 0 HG22 THR A 97 -4.262 13.603 4.218 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.496 13.889 2.477 1.00 0.00 H new ATOM 1483 N SER A 98 -8.331 15.753 4.867 1.00 0.00 N ATOM 1484 CA SER A 98 -9.523 16.573 5.062 1.00 0.00 C ATOM 1485 C SER A 98 -9.813 17.411 3.820 1.00 0.00 C ATOM 1486 O SER A 98 -10.961 17.768 3.553 1.00 0.00 O ATOM 1487 CB SER A 98 -9.346 17.485 6.277 1.00 0.00 C ATOM 1488 OG SER A 98 -10.512 18.255 6.511 1.00 0.00 O ATOM 0 H SER A 98 -7.614 15.873 5.583 1.00 0.00 H new ATOM 0 HA SER A 98 -10.369 15.908 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.121 16.883 7.158 1.00 0.00 H new ATOM 0 HB3 SER A 98 -8.495 18.147 6.118 1.00 0.00 H new ATOM 0 HG SER A 98 -10.374 18.828 7.294 1.00 0.00 H new ATOM 1494 N ILE A 99 -8.765 17.725 3.067 1.00 0.00 N ATOM 1495 CA ILE A 99 -8.905 18.520 1.854 1.00 0.00 C ATOM 1496 C ILE A 99 -9.565 17.713 0.741 1.00 0.00 C ATOM 1497 O ILE A 99 -10.617 18.090 0.224 1.00 0.00 O ATOM 1498 CB ILE A 99 -7.544 19.039 1.358 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -6.869 19.883 2.442 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -7.716 19.846 0.080 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -7.679 21.090 2.858 1.00 0.00 C ATOM 0 H ILE A 99 -7.808 17.440 3.276 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.537 19.371 2.107 1.00 0.00 H new ATOM 0 HB ILE A 99 -6.905 18.184 1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -6.687 19.259 3.317 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -5.896 20.215 2.079 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -6.744 20.205 -0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.157 19.215 -0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -8.371 20.696 0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.140 21.642 3.629 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -7.839 21.736 1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -8.642 20.764 3.251 1.00 0.00 H new ATOM 1513 N GLY A 100 -8.941 16.598 0.375 1.00 0.00 N ATOM 1514 CA GLY A 100 -9.482 15.753 -0.673 1.00 0.00 C ATOM 1515 C GLY A 100 -8.756 14.425 -0.781 1.00 0.00 C ATOM 1516 O GLY A 100 -8.024 14.036 0.128 1.00 0.00 O ATOM 0 H GLY A 100 -8.069 16.264 0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -10.539 15.571 -0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.419 16.277 -1.627 1.00 0.00 H new ATOM 1520 N ASP A 101 -8.962 13.730 -1.894 1.00 0.00 N ATOM 1521 CA ASP A 101 -8.322 12.439 -2.117 1.00 0.00 C ATOM 1522 C ASP A 101 -7.089 12.589 -3.002 1.00 0.00 C ATOM 1523 O ASP A 101 -6.818 13.668 -3.530 1.00 0.00 O ATOM 1524 CB ASP A 101 -9.309 11.462 -2.758 1.00 0.00 C ATOM 1525 CG ASP A 101 -10.100 12.093 -3.886 1.00 0.00 C ATOM 1526 OD1 ASP A 101 -9.473 12.583 -4.849 1.00 0.00 O ATOM 1527 OD2 ASP A 101 -11.346 12.097 -3.807 1.00 0.00 O ATOM 0 H ASP A 101 -9.567 14.039 -2.655 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.007 12.045 -1.151 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -8.764 10.598 -3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.997 11.094 -1.997 1.00 0.00 H new ATOM 1532 N GLY A 102 -6.343 11.500 -3.159 1.00 0.00 N ATOM 1533 CA GLY A 102 -5.145 11.532 -3.979 1.00 0.00 C ATOM 1534 C GLY A 102 -5.140 10.450 -5.040 1.00 0.00 C ATOM 1535 O GLY A 102 -6.050 9.623 -5.119 1.00 0.00 O ATOM 0 H GLY A 102 -6.546 10.596 -2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.063 12.507 -4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.269 11.415 -3.341 1.00 0.00 H new ATOM 1539 N PRO A 103 -4.098 10.449 -5.885 1.00 0.00 N ATOM 1540 CA PRO A 103 -3.955 9.467 -6.964 1.00 0.00 C ATOM 1541 C PRO A 103 -3.657 8.067 -6.438 1.00 0.00 C ATOM 1542 O PRO A 103 -2.760 7.880 -5.613 1.00 0.00 O ATOM 1543 CB PRO A 103 -2.768 9.998 -7.771 1.00 0.00 C ATOM 1544 CG PRO A 103 -1.978 10.805 -6.799 1.00 0.00 C ATOM 1545 CD PRO A 103 -2.979 11.406 -5.850 1.00 0.00 C ATOM 0 HA PRO A 103 -4.871 9.363 -7.545 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.174 9.183 -8.184 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.102 10.606 -8.612 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -1.260 10.181 -6.266 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -1.408 11.582 -7.309 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.569 11.509 -4.845 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.290 12.400 -6.170 1.00 0.00 H new ATOM 1553 N LEU A 104 -4.412 7.086 -6.917 1.00 0.00 N ATOM 1554 CA LEU A 104 -4.229 5.702 -6.495 1.00 0.00 C ATOM 1555 C LEU A 104 -2.839 5.198 -6.870 1.00 0.00 C ATOM 1556 O LEU A 104 -2.142 5.812 -7.678 1.00 0.00 O ATOM 1557 CB LEU A 104 -5.296 4.808 -7.130 1.00 0.00 C ATOM 1558 CG LEU A 104 -6.676 4.841 -6.472 1.00 0.00 C ATOM 1559 CD1 LEU A 104 -7.770 4.906 -7.526 1.00 0.00 C ATOM 1560 CD2 LEU A 104 -6.869 3.627 -5.576 1.00 0.00 C ATOM 0 H LEU A 104 -5.158 7.223 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.330 5.663 -5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.407 5.095 -8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.934 3.780 -7.118 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.741 5.737 -5.855 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -8.744 4.929 -7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.644 5.807 -8.126 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.707 4.029 -8.170 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -7.856 3.667 -5.116 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.783 2.718 -6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.106 3.624 -4.797 1.00 0.00 H new ATOM 1572 N SER A 105 -2.443 4.074 -6.281 1.00 0.00 N ATOM 1573 CA SER A 105 -1.135 3.488 -6.552 1.00 0.00 C ATOM 1574 C SER A 105 -1.212 2.506 -7.717 1.00 0.00 C ATOM 1575 O SER A 105 -2.293 2.214 -8.229 1.00 0.00 O ATOM 1576 CB SER A 105 -0.602 2.779 -5.307 1.00 0.00 C ATOM 1577 OG SER A 105 -1.005 1.420 -5.281 1.00 0.00 O ATOM 0 H SER A 105 -3.009 3.551 -5.613 1.00 0.00 H new ATOM 0 HA SER A 105 -0.452 4.293 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.486 2.839 -5.288 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.965 3.286 -4.413 1.00 0.00 H new ATOM 0 HG SER A 105 -0.650 0.989 -4.476 1.00 0.00 H new ATOM 1583 N SER A 106 -0.056 2.000 -8.132 1.00 0.00 N ATOM 1584 CA SER A 106 0.011 1.054 -9.240 1.00 0.00 C ATOM 1585 C SER A 106 -0.733 -0.235 -8.900 1.00 0.00 C ATOM 1586 O SER A 106 -0.316 -0.991 -8.021 1.00 0.00 O ATOM 1587 CB SER A 106 1.469 0.740 -9.583 1.00 0.00 C ATOM 1588 OG SER A 106 2.355 1.574 -8.860 1.00 0.00 O ATOM 0 H SER A 106 0.848 2.229 -7.718 1.00 0.00 H new ATOM 0 HA SER A 106 -0.468 1.512 -10.106 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.682 -0.305 -9.356 1.00 0.00 H new ATOM 0 HB3 SER A 106 1.631 0.873 -10.653 1.00 0.00 H new ATOM 0 HG SER A 106 3.280 1.352 -9.096 1.00 0.00 H new ATOM 1594 N ASP A 107 -1.835 -0.477 -9.599 1.00 0.00 N ATOM 1595 CA ASP A 107 -2.637 -1.673 -9.373 1.00 0.00 C ATOM 1596 C ASP A 107 -1.769 -2.927 -9.426 1.00 0.00 C ATOM 1597 O ASP A 107 -1.097 -3.187 -10.425 1.00 0.00 O ATOM 1598 CB ASP A 107 -3.756 -1.768 -10.412 1.00 0.00 C ATOM 1599 CG ASP A 107 -3.276 -1.435 -11.810 1.00 0.00 C ATOM 1600 OD1 ASP A 107 -2.809 -2.356 -12.513 1.00 0.00 O ATOM 1601 OD2 ASP A 107 -3.367 -0.253 -12.205 1.00 0.00 O ATOM 0 H ASP A 107 -2.194 0.140 -10.328 1.00 0.00 H new ATOM 0 HA ASP A 107 -3.080 -1.601 -8.380 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -4.171 -2.776 -10.404 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -4.563 -1.089 -10.136 1.00 0.00 H new ATOM 1606 N ILE A 108 -1.789 -3.701 -8.344 1.00 0.00 N ATOM 1607 CA ILE A 108 -1.003 -4.926 -8.270 1.00 0.00 C ATOM 1608 C ILE A 108 -1.906 -6.152 -8.191 1.00 0.00 C ATOM 1609 O ILE A 108 -3.093 -6.043 -7.883 1.00 0.00 O ATOM 1610 CB ILE A 108 -0.063 -4.917 -7.051 1.00 0.00 C ATOM 1611 CG1 ILE A 108 -0.828 -4.510 -5.791 1.00 0.00 C ATOM 1612 CG2 ILE A 108 1.109 -3.977 -7.292 1.00 0.00 C ATOM 1613 CD1 ILE A 108 0.028 -4.491 -4.543 1.00 0.00 C ATOM 0 H ILE A 108 -2.340 -3.501 -7.509 1.00 0.00 H new ATOM 0 HA ILE A 108 -0.405 -4.975 -9.180 1.00 0.00 H new ATOM 0 HB ILE A 108 0.328 -5.924 -6.906 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -1.259 -3.520 -5.941 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -1.659 -5.200 -5.641 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.764 -3.982 -6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.667 -4.308 -8.168 1.00 0.00 H new ATOM 0 HG23 ILE A 108 0.736 -2.967 -7.460 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -0.580 -4.194 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.438 -5.486 -4.368 1.00 0.00 H new ATOM 0 HD13 ILE A 108 0.844 -3.780 -4.672 1.00 0.00 H new ATOM 1625 N GLN A 109 -1.336 -7.320 -8.470 1.00 0.00 N ATOM 1626 CA GLN A 109 -2.089 -8.567 -8.431 1.00 0.00 C ATOM 1627 C GLN A 109 -1.363 -9.616 -7.593 1.00 0.00 C ATOM 1628 O GLN A 109 -0.184 -9.892 -7.813 1.00 0.00 O ATOM 1629 CB GLN A 109 -2.316 -9.097 -9.847 1.00 0.00 C ATOM 1630 CG GLN A 109 -3.078 -8.133 -10.742 1.00 0.00 C ATOM 1631 CD GLN A 109 -4.459 -7.808 -10.207 1.00 0.00 C ATOM 1632 OE1 GLN A 109 -5.058 -8.600 -9.480 1.00 0.00 O ATOM 1633 NE2 GLN A 109 -4.971 -6.636 -10.563 1.00 0.00 N ATOM 0 H GLN A 109 -0.354 -7.428 -8.726 1.00 0.00 H new ATOM 0 HA GLN A 109 -3.055 -8.363 -7.969 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -1.351 -9.317 -10.303 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -2.864 -10.038 -9.791 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -2.506 -7.211 -10.846 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -3.171 -8.565 -11.739 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -4.439 -6.010 -11.168 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -5.896 -6.362 -10.232 1.00 0.00 H new ATOM 1642 N VAL A 110 -2.076 -10.196 -6.633 1.00 0.00 N ATOM 1643 CA VAL A 110 -1.499 -11.214 -5.763 1.00 0.00 C ATOM 1644 C VAL A 110 -2.372 -12.464 -5.726 1.00 0.00 C ATOM 1645 O VAL A 110 -3.587 -12.379 -5.546 1.00 0.00 O ATOM 1646 CB VAL A 110 -1.316 -10.688 -4.327 1.00 0.00 C ATOM 1647 CG1 VAL A 110 -2.649 -10.235 -3.750 1.00 0.00 C ATOM 1648 CG2 VAL A 110 -0.680 -11.753 -3.447 1.00 0.00 C ATOM 0 H VAL A 110 -3.053 -9.979 -6.438 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.523 -11.467 -6.177 1.00 0.00 H new ATOM 0 HB VAL A 110 -0.648 -9.827 -4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.500 -9.867 -2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -3.061 -9.438 -4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -3.342 -11.076 -3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -0.558 -11.364 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.321 -12.635 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 110 0.295 -12.024 -3.851 1.00 0.00 H new ATOM 1658 N ILE A 111 -1.744 -13.622 -5.899 1.00 0.00 N ATOM 1659 CA ILE A 111 -2.463 -14.890 -5.885 1.00 0.00 C ATOM 1660 C ILE A 111 -2.563 -15.449 -4.469 1.00 0.00 C ATOM 1661 O ILE A 111 -1.579 -15.477 -3.730 1.00 0.00 O ATOM 1662 CB ILE A 111 -1.783 -15.933 -6.791 1.00 0.00 C ATOM 1663 CG1 ILE A 111 -1.762 -15.445 -8.241 1.00 0.00 C ATOM 1664 CG2 ILE A 111 -2.500 -17.272 -6.687 1.00 0.00 C ATOM 1665 CD1 ILE A 111 -0.401 -15.550 -8.893 1.00 0.00 C ATOM 0 H ILE A 111 -0.739 -13.708 -6.050 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.465 -14.690 -6.265 1.00 0.00 H new ATOM 0 HB ILE A 111 -0.754 -16.067 -6.458 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.480 -16.024 -8.822 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.092 -14.406 -8.271 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.008 -17.999 -7.333 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.468 -17.623 -5.655 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -3.538 -17.154 -6.998 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.460 -15.187 -9.919 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.317 -14.948 -8.336 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.078 -16.591 -8.895 1.00 0.00 H new ATOM 1677 N THR A 112 -3.759 -15.896 -4.098 1.00 0.00 N ATOM 1678 CA THR A 112 -3.988 -16.457 -2.774 1.00 0.00 C ATOM 1679 C THR A 112 -3.370 -17.845 -2.648 1.00 0.00 C ATOM 1680 O THR A 112 -4.021 -18.851 -2.931 1.00 0.00 O ATOM 1681 CB THR A 112 -5.492 -16.547 -2.453 1.00 0.00 C ATOM 1682 OG1 THR A 112 -6.187 -17.170 -3.539 1.00 0.00 O ATOM 1683 CG2 THR A 112 -6.074 -15.164 -2.198 1.00 0.00 C ATOM 0 H THR A 112 -4.584 -15.880 -4.697 1.00 0.00 H new ATOM 0 HA THR A 112 -3.511 -15.784 -2.061 1.00 0.00 H new ATOM 0 HB THR A 112 -5.614 -17.147 -1.551 1.00 0.00 H new ATOM 0 HG1 THR A 112 -7.018 -17.570 -3.209 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.137 -15.252 -1.973 1.00 0.00 H new ATOM 0 HG22 THR A 112 -5.562 -14.704 -1.353 1.00 0.00 H new ATOM 0 HG23 THR A 112 -5.941 -14.544 -3.085 1.00 0.00 H new ATOM 1691 N GLN A 113 -2.112 -17.890 -2.222 1.00 0.00 N ATOM 1692 CA GLN A 113 -1.406 -19.157 -2.060 1.00 0.00 C ATOM 1693 C GLN A 113 -0.315 -19.041 -1.000 1.00 0.00 C ATOM 1694 O GLN A 113 0.295 -17.984 -0.835 1.00 0.00 O ATOM 1695 CB GLN A 113 -0.796 -19.599 -3.390 1.00 0.00 C ATOM 1696 CG GLN A 113 0.256 -18.641 -3.926 1.00 0.00 C ATOM 1697 CD GLN A 113 0.847 -19.102 -5.245 1.00 0.00 C ATOM 1698 OE1 GLN A 113 0.123 -19.499 -6.157 1.00 0.00 O ATOM 1699 NE2 GLN A 113 2.170 -19.049 -5.351 1.00 0.00 N ATOM 0 H GLN A 113 -1.561 -17.066 -1.983 1.00 0.00 H new ATOM 0 HA GLN A 113 -2.127 -19.906 -1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -0.348 -20.585 -3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -1.591 -19.702 -4.128 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -0.189 -17.655 -4.057 1.00 0.00 H new ATOM 0 HG3 GLN A 113 1.054 -18.536 -3.191 1.00 0.00 H new ATOM 0 HE21 GLN A 113 2.731 -18.713 -4.569 1.00 0.00 H new ATOM 0 HE22 GLN A 113 2.625 -19.345 -6.215 1.00 0.00 H new