USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 863 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 Single : A 13 HIS : no HD1:sc= -2.37! C(o=-2.4!,f=-4.9!) USER MOD Single : A 16 SER OG : rot -12:sc= 1.01 USER MOD Single : A 31 SER OG : rot 31:sc= 0.161 USER MOD Single : A 32 HIS : no HD1:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 33 MET CE :methyl -122:sc= -2.64! (180deg=-3.39!) USER MOD Single : A 41 CYS SG : rot -130:sc= -4.19! USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.28) USER MOD Single : A 47 THR OG1 : rot -70:sc= 0.765 USER MOD Single : A 52 TYR OH : rot 43:sc= -0.533 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= 0.483 K(o=0.48,f=-2.1!) USER MOD Single : A 59 HIS : +bothHN:sc= -2.28 K(o=-2.3,f=-5.5!) USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -0.027 (180deg=-0.233) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -134:sc= -1.64! USER MOD Single : A 67 LYS NZ :NH3+ -160:sc= -0.112 (180deg=-0.514) USER MOD Single : A 73 SER OG : rot 180:sc= 0.306 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.00441 USER MOD Single : A 86 GLN :FLIP amide:sc= -0.311 F(o=-0.83,f=-0.31) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN :FLIP amide:sc= -1.28 F(o=-2.3!,f=-1.3) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN :FLIP amide:sc= -0.444 F(o=-3.2!,f=-0.44) USER MOD Single : A 103 GLN : amide:sc= 1.09 K(o=1.1,f=-0.98) USER MOD Single : A 107 LYS NZ :NH3+ 173:sc=-0.00674 (180deg=-0.0765) USER MOD ----------------------------------------------------------------- ATOM 137 N GLU A 9 -16.553 3.135 -6.269 1.00 33.20 N ATOM 138 CA GLU A 9 -15.493 4.047 -5.934 1.00 3.11 C ATOM 139 C GLU A 9 -14.214 3.296 -5.593 1.00 34.23 C ATOM 140 O GLU A 9 -14.178 2.513 -4.638 1.00 63.15 O ATOM 141 CB GLU A 9 -15.934 4.955 -4.778 1.00 4.13 C ATOM 142 CG GLU A 9 -14.920 6.014 -4.379 1.00 15.22 C ATOM 143 CD GLU A 9 -15.413 6.879 -3.245 1.00 30.33 C ATOM 144 OE1 GLU A 9 -15.474 6.408 -2.108 1.00 32.41 O ATOM 145 OE2 GLU A 9 -15.742 8.063 -3.480 1.00 43.24 O ATOM 0 HA GLU A 9 -15.278 4.672 -6.801 1.00 3.11 H new ATOM 0 HB2 GLU A 9 -16.864 5.449 -5.057 1.00 4.13 H new ATOM 0 HB3 GLU A 9 -16.151 4.334 -3.909 1.00 4.13 H new ATOM 0 HG2 GLU A 9 -13.988 5.530 -4.086 1.00 15.22 H new ATOM 0 HG3 GLU A 9 -14.695 6.642 -5.241 1.00 15.22 H new ATOM 152 N LEU A 10 -13.192 3.511 -6.395 1.00 51.20 N ATOM 153 CA LEU A 10 -11.887 2.921 -6.186 1.00 73.30 C ATOM 154 C LEU A 10 -10.830 3.981 -6.419 1.00 14.24 C ATOM 155 O LEU A 10 -10.690 4.490 -7.540 1.00 1.04 O ATOM 156 CB LEU A 10 -11.618 1.757 -7.164 1.00 42.21 C ATOM 157 CG LEU A 10 -12.565 0.551 -7.131 1.00 33.42 C ATOM 158 CD1 LEU A 10 -12.129 -0.467 -8.156 1.00 3.41 C ATOM 159 CD2 LEU A 10 -12.593 -0.081 -5.755 1.00 24.20 C ATOM 0 H LEU A 10 -13.245 4.108 -7.220 1.00 51.20 H new ATOM 0 HA LEU A 10 -11.855 2.535 -5.167 1.00 73.30 H new ATOM 0 HB2 LEU A 10 -11.630 2.162 -8.176 1.00 42.21 H new ATOM 0 HB3 LEU A 10 -10.608 1.393 -6.978 1.00 42.21 H new ATOM 0 HG LEU A 10 -13.571 0.897 -7.367 1.00 33.42 H new ATOM 0 HD11 LEU A 10 -12.804 -1.322 -8.129 1.00 3.41 H new ATOM 0 HD12 LEU A 10 -12.152 -0.017 -9.148 1.00 3.41 H new ATOM 0 HD13 LEU A 10 -11.115 -0.798 -7.931 1.00 3.41 H new ATOM 0 HD21 LEU A 10 -13.272 -0.934 -5.760 1.00 24.20 H new ATOM 0 HD22 LEU A 10 -11.591 -0.417 -5.488 1.00 24.20 H new ATOM 0 HD23 LEU A 10 -12.936 0.652 -5.025 1.00 24.20 H new ATOM 171 N GLU A 11 -10.107 4.330 -5.392 1.00 45.51 N ATOM 172 CA GLU A 11 -9.028 5.289 -5.524 1.00 22.13 C ATOM 173 C GLU A 11 -7.801 4.767 -4.838 1.00 32.33 C ATOM 174 O GLU A 11 -7.791 4.606 -3.628 1.00 24.20 O ATOM 175 CB GLU A 11 -9.371 6.673 -4.945 1.00 54.14 C ATOM 176 CG GLU A 11 -10.557 7.368 -5.581 1.00 25.12 C ATOM 177 CD GLU A 11 -10.602 8.834 -5.226 1.00 70.13 C ATOM 178 OE1 GLU A 11 -9.925 9.626 -5.915 1.00 61.01 O ATOM 179 OE2 GLU A 11 -11.282 9.220 -4.260 1.00 61.53 O ATOM 0 H GLU A 11 -10.240 3.967 -4.448 1.00 45.51 H new ATOM 0 HA GLU A 11 -8.856 5.417 -6.593 1.00 22.13 H new ATOM 0 HB2 GLU A 11 -9.565 6.564 -3.878 1.00 54.14 H new ATOM 0 HB3 GLU A 11 -8.497 7.317 -5.046 1.00 54.14 H new ATOM 0 HG2 GLU A 11 -10.506 7.257 -6.664 1.00 25.12 H new ATOM 0 HG3 GLU A 11 -11.479 6.886 -5.255 1.00 25.12 H new ATOM 186 N VAL A 12 -6.776 4.492 -5.580 1.00 3.44 N ATOM 187 CA VAL A 12 -5.566 4.012 -4.981 1.00 33.23 C ATOM 188 C VAL A 12 -4.477 4.997 -5.289 1.00 43.41 C ATOM 189 O VAL A 12 -4.189 5.271 -6.454 1.00 75.52 O ATOM 190 CB VAL A 12 -5.156 2.632 -5.499 1.00 13.41 C ATOM 191 CG1 VAL A 12 -4.010 2.069 -4.671 1.00 2.33 C ATOM 192 CG2 VAL A 12 -6.320 1.685 -5.506 1.00 55.12 C ATOM 0 H VAL A 12 -6.749 4.590 -6.595 1.00 3.44 H new ATOM 0 HA VAL A 12 -5.733 3.912 -3.908 1.00 33.23 H new ATOM 0 HB VAL A 12 -4.815 2.748 -6.528 1.00 13.41 H new ATOM 0 HG11 VAL A 12 -3.732 1.087 -5.054 1.00 2.33 H new ATOM 0 HG12 VAL A 12 -3.152 2.739 -4.734 1.00 2.33 H new ATOM 0 HG13 VAL A 12 -4.323 1.977 -3.631 1.00 2.33 H new ATOM 0 HG21 VAL A 12 -5.996 0.713 -5.879 1.00 55.12 H new ATOM 0 HG22 VAL A 12 -6.705 1.574 -4.492 1.00 55.12 H new ATOM 0 HG23 VAL A 12 -7.105 2.078 -6.152 1.00 55.12 H new ATOM 202 N HIS A 13 -3.886 5.531 -4.273 1.00 54.33 N ATOM 203 CA HIS A 13 -2.888 6.553 -4.439 1.00 75.51 C ATOM 204 C HIS A 13 -1.987 6.581 -3.234 1.00 60.21 C ATOM 205 O HIS A 13 -2.408 6.216 -2.148 1.00 55.51 O ATOM 206 CB HIS A 13 -3.566 7.947 -4.638 1.00 11.01 C ATOM 207 CG HIS A 13 -4.393 8.449 -3.463 1.00 23.01 C ATOM 208 ND1 HIS A 13 -4.117 9.618 -2.795 1.00 63.12 N ATOM 209 CD2 HIS A 13 -5.501 7.938 -2.862 1.00 33.11 C ATOM 210 CE1 HIS A 13 -5.009 9.799 -1.844 1.00 41.41 C ATOM 211 NE2 HIS A 13 -5.856 8.801 -1.861 1.00 24.14 N ATOM 0 H HIS A 13 -4.075 5.277 -3.303 1.00 54.33 H new ATOM 0 HA HIS A 13 -2.294 6.329 -5.325 1.00 75.51 H new ATOM 0 HB2 HIS A 13 -2.790 8.681 -4.853 1.00 11.01 H new ATOM 0 HB3 HIS A 13 -4.209 7.896 -5.517 1.00 11.01 H new ATOM 0 HD2 HIS A 13 -6.007 7.021 -3.126 1.00 33.11 H new ATOM 0 HE1 HIS A 13 -5.037 10.635 -1.161 1.00 41.41 H new ATOM 0 HE2 HIS A 13 -6.650 8.686 -1.231 1.00 24.14 H new ATOM 220 N ILE A 14 -0.766 6.976 -3.421 1.00 71.43 N ATOM 221 CA ILE A 14 0.143 7.152 -2.313 1.00 23.15 C ATOM 222 C ILE A 14 0.206 8.643 -2.021 1.00 55.20 C ATOM 223 O ILE A 14 0.897 9.388 -2.721 1.00 62.24 O ATOM 224 CB ILE A 14 1.566 6.599 -2.627 1.00 51.21 C ATOM 225 CG1 ILE A 14 1.478 5.120 -3.007 1.00 65.24 C ATOM 226 CG2 ILE A 14 2.504 6.775 -1.426 1.00 73.44 C ATOM 227 CD1 ILE A 14 2.814 4.469 -3.287 1.00 72.42 C ATOM 0 H ILE A 14 -0.366 7.186 -4.335 1.00 71.43 H new ATOM 0 HA ILE A 14 -0.218 6.592 -1.450 1.00 23.15 H new ATOM 0 HB ILE A 14 1.974 7.165 -3.464 1.00 51.21 H new ATOM 0 HG12 ILE A 14 0.985 4.578 -2.200 1.00 65.24 H new ATOM 0 HG13 ILE A 14 0.846 5.021 -3.890 1.00 65.24 H new ATOM 0 HG21 ILE A 14 3.490 6.381 -1.673 1.00 73.44 H new ATOM 0 HG22 ILE A 14 2.588 7.834 -1.182 1.00 73.44 H new ATOM 0 HG23 ILE A 14 2.102 6.236 -0.568 1.00 73.44 H new ATOM 0 HD11 ILE A 14 2.661 3.422 -3.549 1.00 72.42 H new ATOM 0 HD12 ILE A 14 3.302 4.982 -4.115 1.00 72.42 H new ATOM 0 HD13 ILE A 14 3.443 4.533 -2.399 1.00 72.42 H new ATOM 239 N PRO A 15 -0.569 9.120 -1.024 1.00 60.41 N ATOM 240 CA PRO A 15 -0.677 10.547 -0.744 1.00 1.33 C ATOM 241 C PRO A 15 0.605 11.163 -0.201 1.00 40.45 C ATOM 242 O PRO A 15 0.907 12.325 -0.485 1.00 51.52 O ATOM 243 CB PRO A 15 -1.794 10.635 0.304 1.00 23.30 C ATOM 244 CG PRO A 15 -2.438 9.291 0.338 1.00 61.31 C ATOM 245 CD PRO A 15 -1.407 8.317 -0.114 1.00 44.33 C ATOM 0 HA PRO A 15 -0.880 11.104 -1.659 1.00 1.33 H new ATOM 0 HB2 PRO A 15 -1.391 10.898 1.282 1.00 23.30 H new ATOM 0 HB3 PRO A 15 -2.517 11.407 0.039 1.00 23.30 H new ATOM 0 HG2 PRO A 15 -2.783 9.052 1.344 1.00 61.31 H new ATOM 0 HG3 PRO A 15 -3.311 9.262 -0.314 1.00 61.31 H new ATOM 0 HD2 PRO A 15 -0.831 7.922 0.723 1.00 44.33 H new ATOM 0 HD3 PRO A 15 -1.854 7.464 -0.624 1.00 44.33 H new ATOM 253 N SER A 16 1.378 10.392 0.544 1.00 53.22 N ATOM 254 CA SER A 16 2.614 10.886 1.113 1.00 32.23 C ATOM 255 C SER A 16 3.536 9.753 1.506 1.00 72.25 C ATOM 256 O SER A 16 3.103 8.595 1.684 1.00 13.44 O ATOM 257 CB SER A 16 2.351 11.780 2.343 1.00 63.23 C ATOM 258 OG SER A 16 1.585 12.929 2.007 1.00 72.43 O ATOM 0 H SER A 16 1.168 9.419 0.768 1.00 53.22 H new ATOM 0 HA SER A 16 3.098 11.482 0.339 1.00 32.23 H new ATOM 0 HB2 SER A 16 1.827 11.204 3.105 1.00 63.23 H new ATOM 0 HB3 SER A 16 3.302 12.091 2.776 1.00 63.23 H new ATOM 0 HG SER A 16 1.543 13.020 1.032 1.00 72.43 H new ATOM 264 N VAL A 17 4.798 10.086 1.624 1.00 23.30 N ATOM 265 CA VAL A 17 5.822 9.181 2.058 1.00 55.21 C ATOM 266 C VAL A 17 6.590 9.904 3.140 1.00 42.01 C ATOM 267 O VAL A 17 7.102 10.996 2.895 1.00 11.23 O ATOM 268 CB VAL A 17 6.815 8.853 0.905 1.00 42.53 C ATOM 269 CG1 VAL A 17 7.845 7.829 1.346 1.00 41.44 C ATOM 270 CG2 VAL A 17 6.091 8.387 -0.347 1.00 23.32 C ATOM 0 H VAL A 17 5.146 11.021 1.414 1.00 23.30 H new ATOM 0 HA VAL A 17 5.373 8.248 2.398 1.00 55.21 H new ATOM 0 HB VAL A 17 7.337 9.777 0.657 1.00 42.53 H new ATOM 0 HG11 VAL A 17 8.525 7.619 0.521 1.00 41.44 H new ATOM 0 HG12 VAL A 17 8.410 8.222 2.191 1.00 41.44 H new ATOM 0 HG13 VAL A 17 7.340 6.910 1.643 1.00 41.44 H new ATOM 0 HG21 VAL A 17 6.819 8.168 -1.128 1.00 23.32 H new ATOM 0 HG22 VAL A 17 5.518 7.487 -0.122 1.00 23.32 H new ATOM 0 HG23 VAL A 17 5.416 9.171 -0.690 1.00 23.32 H new ATOM 280 N GLY A 18 6.670 9.345 4.316 1.00 12.31 N ATOM 281 CA GLY A 18 7.367 10.049 5.357 1.00 70.55 C ATOM 282 C GLY A 18 8.082 9.168 6.321 1.00 33.34 C ATOM 283 O GLY A 18 7.821 7.951 6.391 1.00 11.55 O ATOM 0 H GLY A 18 6.278 8.439 4.573 1.00 12.31 H new ATOM 0 HA2 GLY A 18 8.087 10.728 4.901 1.00 70.55 H new ATOM 0 HA3 GLY A 18 6.653 10.663 5.905 1.00 70.55 H new ATOM 287 N PRO A 19 9.039 9.734 7.060 1.00 12.12 N ATOM 288 CA PRO A 19 9.831 8.998 7.993 1.00 3.12 C ATOM 289 C PRO A 19 9.118 8.786 9.298 1.00 51.02 C ATOM 290 O PRO A 19 9.171 9.609 10.212 1.00 42.43 O ATOM 291 CB PRO A 19 11.094 9.838 8.123 1.00 13.24 C ATOM 292 CG PRO A 19 10.625 11.243 7.937 1.00 72.31 C ATOM 293 CD PRO A 19 9.418 11.173 7.033 1.00 54.31 C ATOM 0 HA PRO A 19 10.050 7.982 7.663 1.00 3.12 H new ATOM 0 HB2 PRO A 19 11.564 9.701 9.097 1.00 13.24 H new ATOM 0 HB3 PRO A 19 11.834 9.563 7.371 1.00 13.24 H new ATOM 0 HG2 PRO A 19 10.368 11.696 8.894 1.00 72.31 H new ATOM 0 HG3 PRO A 19 11.408 11.858 7.493 1.00 72.31 H new ATOM 0 HD2 PRO A 19 8.609 11.807 7.396 1.00 54.31 H new ATOM 0 HD3 PRO A 19 9.655 11.506 6.022 1.00 54.31 H new ATOM 301 N GLU A 20 8.391 7.707 9.343 1.00 63.02 N ATOM 302 CA GLU A 20 7.614 7.369 10.515 1.00 44.30 C ATOM 303 C GLU A 20 7.793 5.909 10.864 1.00 65.33 C ATOM 304 O GLU A 20 7.170 5.389 11.795 1.00 74.53 O ATOM 305 CB GLU A 20 6.132 7.681 10.281 1.00 44.25 C ATOM 306 CG GLU A 20 5.480 6.869 9.172 1.00 41.54 C ATOM 307 CD GLU A 20 4.002 7.135 9.030 1.00 33.21 C ATOM 308 OE1 GLU A 20 3.620 8.095 8.334 1.00 43.24 O ATOM 309 OE2 GLU A 20 3.198 6.395 9.639 1.00 22.25 O ATOM 0 H GLU A 20 8.316 7.037 8.578 1.00 63.02 H new ATOM 0 HA GLU A 20 7.969 7.972 11.351 1.00 44.30 H new ATOM 0 HB2 GLU A 20 5.587 7.507 11.209 1.00 44.25 H new ATOM 0 HB3 GLU A 20 6.030 8.740 10.045 1.00 44.25 H new ATOM 0 HG2 GLU A 20 5.975 7.093 8.227 1.00 41.54 H new ATOM 0 HG3 GLU A 20 5.634 5.808 9.369 1.00 41.54 H new ATOM 465 N SER A 31 14.273 0.412 5.441 1.00 11.22 N ATOM 466 CA SER A 31 13.392 1.493 5.167 1.00 34.24 C ATOM 467 C SER A 31 12.904 2.081 6.479 1.00 24.54 C ATOM 468 O SER A 31 12.020 1.522 7.124 1.00 53.41 O ATOM 469 CB SER A 31 12.210 0.997 4.367 1.00 51.34 C ATOM 470 OG SER A 31 12.620 0.280 3.201 1.00 32.05 O ATOM 0 HA SER A 31 13.918 2.256 4.593 1.00 34.24 H new ATOM 0 HB2 SER A 31 11.593 0.351 4.992 1.00 51.34 H new ATOM 0 HB3 SER A 31 11.589 1.843 4.073 1.00 51.34 H new ATOM 0 HG SER A 31 13.471 -0.172 3.378 1.00 32.05 H new ATOM 476 N HIS A 32 13.509 3.167 6.897 1.00 62.13 N ATOM 477 CA HIS A 32 13.109 3.836 8.130 1.00 42.55 C ATOM 478 C HIS A 32 12.118 4.942 7.747 1.00 13.14 C ATOM 479 O HIS A 32 11.575 5.669 8.581 1.00 45.42 O ATOM 480 CB HIS A 32 14.363 4.420 8.824 1.00 42.15 C ATOM 481 CG HIS A 32 14.155 4.913 10.233 1.00 74.01 C ATOM 482 ND1 HIS A 32 14.531 4.187 11.339 1.00 14.44 N ATOM 483 CD2 HIS A 32 13.634 6.065 10.712 1.00 24.00 C ATOM 484 CE1 HIS A 32 14.246 4.865 12.427 1.00 34.22 C ATOM 485 NE2 HIS A 32 13.700 6.008 12.078 1.00 1.22 N ATOM 0 H HIS A 32 14.283 3.614 6.406 1.00 62.13 H new ATOM 0 HA HIS A 32 12.636 3.145 8.828 1.00 42.55 H new ATOM 0 HB2 HIS A 32 15.139 3.655 8.836 1.00 42.15 H new ATOM 0 HB3 HIS A 32 14.739 5.246 8.221 1.00 42.15 H new ATOM 0 HD2 HIS A 32 13.238 6.880 10.125 1.00 24.00 H new ATOM 0 HE1 HIS A 32 14.430 4.538 13.440 1.00 34.22 H new ATOM 0 HE2 HIS A 32 13.378 6.733 12.719 1.00 1.22 H new ATOM 494 N MET A 33 11.882 5.041 6.478 1.00 3.03 N ATOM 495 CA MET A 33 10.950 5.974 5.962 1.00 12.41 C ATOM 496 C MET A 33 10.008 5.179 5.100 1.00 1.51 C ATOM 497 O MET A 33 10.444 4.310 4.335 1.00 41.04 O ATOM 498 CB MET A 33 11.665 7.048 5.170 1.00 32.53 C ATOM 499 CG MET A 33 10.833 8.274 4.962 1.00 25.51 C ATOM 500 SD MET A 33 11.648 9.544 4.054 1.00 53.11 S ATOM 501 CE MET A 33 11.538 8.789 2.501 1.00 34.40 C ATOM 0 H MET A 33 12.339 4.468 5.769 1.00 3.03 H new ATOM 0 HA MET A 33 10.405 6.490 6.753 1.00 12.41 H new ATOM 0 HB2 MET A 33 12.584 7.323 5.688 1.00 32.53 H new ATOM 0 HB3 MET A 33 11.955 6.644 4.200 1.00 32.53 H new ATOM 0 HG2 MET A 33 9.919 7.996 4.438 1.00 25.51 H new ATOM 0 HG3 MET A 33 10.536 8.669 5.934 1.00 25.51 H new ATOM 0 HE1 MET A 33 12.538 8.661 2.087 1.00 34.40 H new ATOM 0 HE2 MET A 33 11.060 7.815 2.603 1.00 34.40 H new ATOM 0 HE3 MET A 33 10.947 9.415 1.833 1.00 34.40 H new ATOM 511 N VAL A 34 8.753 5.458 5.196 1.00 12.14 N ATOM 512 CA VAL A 34 7.771 4.574 4.644 1.00 72.41 C ATOM 513 C VAL A 34 6.789 5.304 3.730 1.00 65.44 C ATOM 514 O VAL A 34 6.475 6.478 3.950 1.00 14.33 O ATOM 515 CB VAL A 34 7.037 3.868 5.821 1.00 23.23 C ATOM 516 CG1 VAL A 34 6.370 4.862 6.738 1.00 44.25 C ATOM 517 CG2 VAL A 34 6.050 2.866 5.355 1.00 52.40 C ATOM 0 H VAL A 34 8.378 6.290 5.651 1.00 12.14 H new ATOM 0 HA VAL A 34 8.266 3.833 4.017 1.00 72.41 H new ATOM 0 HB VAL A 34 7.808 3.339 6.381 1.00 23.23 H new ATOM 0 HG11 VAL A 34 5.868 4.331 7.547 1.00 44.25 H new ATOM 0 HG12 VAL A 34 7.121 5.533 7.155 1.00 44.25 H new ATOM 0 HG13 VAL A 34 5.638 5.442 6.176 1.00 44.25 H new ATOM 0 HG21 VAL A 34 5.567 2.404 6.216 1.00 52.40 H new ATOM 0 HG22 VAL A 34 5.298 3.356 4.737 1.00 52.40 H new ATOM 0 HG23 VAL A 34 6.558 2.100 4.769 1.00 52.40 H new ATOM 527 N PHE A 35 6.331 4.616 2.694 1.00 23.22 N ATOM 528 CA PHE A 35 5.363 5.175 1.795 1.00 51.33 C ATOM 529 C PHE A 35 4.003 4.617 2.138 1.00 21.33 C ATOM 530 O PHE A 35 3.854 3.423 2.403 1.00 74.40 O ATOM 531 CB PHE A 35 5.750 4.977 0.301 1.00 50.24 C ATOM 532 CG PHE A 35 5.969 3.566 -0.137 1.00 62.41 C ATOM 533 CD1 PHE A 35 7.220 2.985 -0.049 1.00 74.44 C ATOM 534 CD2 PHE A 35 4.933 2.829 -0.632 1.00 31.52 C ATOM 535 CE1 PHE A 35 7.423 1.681 -0.451 1.00 11.14 C ATOM 536 CE2 PHE A 35 5.115 1.531 -1.035 1.00 51.21 C ATOM 537 CZ PHE A 35 6.366 0.949 -0.944 1.00 3.20 C ATOM 0 H PHE A 35 6.623 3.666 2.465 1.00 23.22 H new ATOM 0 HA PHE A 35 5.335 6.257 1.925 1.00 51.33 H new ATOM 0 HB2 PHE A 35 4.965 5.411 -0.318 1.00 50.24 H new ATOM 0 HB3 PHE A 35 6.660 5.543 0.104 1.00 50.24 H new ATOM 0 HD1 PHE A 35 8.049 3.559 0.339 1.00 74.44 H new ATOM 0 HD2 PHE A 35 3.953 3.276 -0.708 1.00 31.52 H new ATOM 0 HE1 PHE A 35 8.405 1.237 -0.379 1.00 11.14 H new ATOM 0 HE2 PHE A 35 4.282 0.964 -1.423 1.00 51.21 H new ATOM 0 HZ PHE A 35 6.513 -0.074 -1.258 1.00 3.20 H new ATOM 547 N ARG A 36 3.034 5.463 2.178 1.00 23.41 N ATOM 548 CA ARG A 36 1.738 5.064 2.626 1.00 33.34 C ATOM 549 C ARG A 36 0.814 4.904 1.455 1.00 71.32 C ATOM 550 O ARG A 36 0.391 5.880 0.844 1.00 45.21 O ATOM 551 CB ARG A 36 1.224 6.087 3.625 1.00 33.02 C ATOM 552 CG ARG A 36 2.245 6.366 4.726 1.00 3.11 C ATOM 553 CD ARG A 36 1.715 7.286 5.791 1.00 71.34 C ATOM 554 NE ARG A 36 1.251 8.581 5.269 1.00 61.03 N ATOM 555 CZ ARG A 36 1.419 9.769 5.893 1.00 65.11 C ATOM 556 NH1 ARG A 36 2.148 9.857 7.002 1.00 24.53 N ATOM 557 NH2 ARG A 36 0.871 10.868 5.390 1.00 44.13 N ATOM 0 H ARG A 36 3.111 6.443 1.905 1.00 23.41 H new ATOM 0 HA ARG A 36 1.791 4.097 3.125 1.00 33.34 H new ATOM 0 HB2 ARG A 36 0.987 7.015 3.105 1.00 33.02 H new ATOM 0 HB3 ARG A 36 0.297 5.726 4.071 1.00 33.02 H new ATOM 0 HG2 ARG A 36 2.547 5.424 5.183 1.00 3.11 H new ATOM 0 HG3 ARG A 36 3.139 6.806 4.284 1.00 3.11 H new ATOM 0 HD2 ARG A 36 0.890 6.795 6.307 1.00 71.34 H new ATOM 0 HD3 ARG A 36 2.496 7.460 6.531 1.00 71.34 H new ATOM 0 HE ARG A 36 0.767 8.583 4.371 1.00 61.03 H new ATOM 0 HH11 ARG A 36 2.588 9.023 7.391 1.00 24.53 H new ATOM 0 HH12 ARG A 36 2.267 10.759 7.464 1.00 24.53 H new ATOM 0 HH21 ARG A 36 0.322 10.817 4.532 1.00 44.13 H new ATOM 0 HH22 ARG A 36 0.999 11.763 5.862 1.00 44.13 H new ATOM 571 N VAL A 37 0.527 3.674 1.138 1.00 41.11 N ATOM 572 CA VAL A 37 -0.294 3.352 -0.002 1.00 45.42 C ATOM 573 C VAL A 37 -1.753 3.372 0.404 1.00 70.01 C ATOM 574 O VAL A 37 -2.190 2.607 1.255 1.00 64.10 O ATOM 575 CB VAL A 37 0.108 1.979 -0.686 1.00 32.23 C ATOM 576 CG1 VAL A 37 1.559 1.999 -1.100 1.00 54.04 C ATOM 577 CG2 VAL A 37 -0.150 0.764 0.199 1.00 61.00 C ATOM 0 H VAL A 37 0.855 2.862 1.661 1.00 41.11 H new ATOM 0 HA VAL A 37 -0.124 4.114 -0.762 1.00 45.42 H new ATOM 0 HB VAL A 37 -0.533 1.881 -1.562 1.00 32.23 H new ATOM 0 HG11 VAL A 37 1.817 1.049 -1.567 1.00 54.04 H new ATOM 0 HG12 VAL A 37 1.724 2.809 -1.810 1.00 54.04 H new ATOM 0 HG13 VAL A 37 2.186 2.153 -0.222 1.00 54.04 H new ATOM 0 HG21 VAL A 37 0.147 -0.141 -0.330 1.00 61.00 H new ATOM 0 HG22 VAL A 37 0.429 0.854 1.118 1.00 61.00 H new ATOM 0 HG23 VAL A 37 -1.211 0.710 0.443 1.00 61.00 H new ATOM 587 N GLU A 38 -2.494 4.267 -0.153 1.00 30.45 N ATOM 588 CA GLU A 38 -3.851 4.378 0.220 1.00 34.20 C ATOM 589 C GLU A 38 -4.756 3.778 -0.836 1.00 42.41 C ATOM 590 O GLU A 38 -4.894 4.308 -1.942 1.00 21.53 O ATOM 591 CB GLU A 38 -4.207 5.812 0.533 1.00 42.32 C ATOM 592 CG GLU A 38 -5.600 5.980 1.049 1.00 42.42 C ATOM 593 CD GLU A 38 -5.892 7.385 1.408 1.00 12.53 C ATOM 594 OE1 GLU A 38 -5.548 7.797 2.526 1.00 34.35 O ATOM 595 OE2 GLU A 38 -6.487 8.100 0.571 1.00 24.23 O ATOM 0 H GLU A 38 -2.180 4.927 -0.864 1.00 30.45 H new ATOM 0 HA GLU A 38 -4.006 3.803 1.133 1.00 34.20 H new ATOM 0 HB2 GLU A 38 -3.505 6.200 1.271 1.00 42.32 H new ATOM 0 HB3 GLU A 38 -4.086 6.413 -0.368 1.00 42.32 H new ATOM 0 HG2 GLU A 38 -6.310 5.644 0.293 1.00 42.42 H new ATOM 0 HG3 GLU A 38 -5.742 5.345 1.924 1.00 42.42 H new ATOM 602 N VAL A 39 -5.343 2.670 -0.483 1.00 25.24 N ATOM 603 CA VAL A 39 -6.216 1.916 -1.350 1.00 34.31 C ATOM 604 C VAL A 39 -7.672 2.110 -0.897 1.00 3.21 C ATOM 605 O VAL A 39 -8.072 1.605 0.159 1.00 50.14 O ATOM 606 CB VAL A 39 -5.863 0.401 -1.277 1.00 62.33 C ATOM 607 CG1 VAL A 39 -6.686 -0.423 -2.246 1.00 45.45 C ATOM 608 CG2 VAL A 39 -4.371 0.154 -1.480 1.00 25.23 C ATOM 0 H VAL A 39 -5.227 2.251 0.440 1.00 25.24 H new ATOM 0 HA VAL A 39 -6.090 2.268 -2.374 1.00 34.31 H new ATOM 0 HB VAL A 39 -6.119 0.073 -0.270 1.00 62.33 H new ATOM 0 HG11 VAL A 39 -6.406 -1.473 -2.160 1.00 45.45 H new ATOM 0 HG12 VAL A 39 -7.745 -0.310 -2.012 1.00 45.45 H new ATOM 0 HG13 VAL A 39 -6.501 -0.080 -3.264 1.00 45.45 H new ATOM 0 HG21 VAL A 39 -4.168 -0.915 -1.422 1.00 25.23 H new ATOM 0 HG22 VAL A 39 -4.070 0.527 -2.459 1.00 25.23 H new ATOM 0 HG23 VAL A 39 -3.807 0.673 -0.705 1.00 25.23 H new ATOM 618 N LEU A 40 -8.431 2.877 -1.648 1.00 3.22 N ATOM 619 CA LEU A 40 -9.836 3.101 -1.351 1.00 50.52 C ATOM 620 C LEU A 40 -10.654 2.128 -2.171 1.00 14.33 C ATOM 621 O LEU A 40 -10.450 2.008 -3.386 1.00 32.10 O ATOM 622 CB LEU A 40 -10.230 4.581 -1.665 1.00 33.13 C ATOM 623 CG LEU A 40 -11.630 5.098 -1.206 1.00 45.34 C ATOM 624 CD1 LEU A 40 -11.721 6.590 -1.419 1.00 30.35 C ATOM 625 CD2 LEU A 40 -12.764 4.427 -1.958 1.00 54.03 C ATOM 0 H LEU A 40 -8.097 3.363 -2.480 1.00 3.22 H new ATOM 0 HA LEU A 40 -10.031 2.934 -0.292 1.00 50.52 H new ATOM 0 HB2 LEU A 40 -9.476 5.226 -1.215 1.00 33.13 H new ATOM 0 HB3 LEU A 40 -10.164 4.719 -2.744 1.00 33.13 H new ATOM 0 HG LEU A 40 -11.731 4.854 -0.148 1.00 45.34 H new ATOM 0 HD11 LEU A 40 -12.700 6.944 -1.097 1.00 30.35 H new ATOM 0 HD12 LEU A 40 -10.945 7.088 -0.838 1.00 30.35 H new ATOM 0 HD13 LEU A 40 -11.583 6.816 -2.476 1.00 30.35 H new ATOM 0 HD21 LEU A 40 -13.717 4.819 -1.604 1.00 54.03 H new ATOM 0 HD22 LEU A 40 -12.662 4.628 -3.025 1.00 54.03 H new ATOM 0 HD23 LEU A 40 -12.728 3.351 -1.786 1.00 54.03 H new ATOM 637 N CYS A 41 -11.560 1.437 -1.519 1.00 24.42 N ATOM 638 CA CYS A 41 -12.402 0.469 -2.173 1.00 73.14 C ATOM 639 C CYS A 41 -13.809 0.541 -1.613 1.00 0.31 C ATOM 640 O CYS A 41 -14.003 0.415 -0.394 1.00 15.15 O ATOM 641 CB CYS A 41 -11.828 -0.931 -1.999 1.00 0.42 C ATOM 642 SG CYS A 41 -10.163 -1.102 -2.659 1.00 61.54 S ATOM 0 H CYS A 41 -11.732 1.532 -0.518 1.00 24.42 H new ATOM 0 HA CYS A 41 -12.440 0.696 -3.238 1.00 73.14 H new ATOM 0 HB2 CYS A 41 -11.819 -1.184 -0.939 1.00 0.42 H new ATOM 0 HB3 CYS A 41 -12.483 -1.649 -2.493 1.00 0.42 H new ATOM 0 HG CYS A 41 -10.106 -2.149 -3.427 1.00 61.54 H new ATOM 648 N SER A 42 -14.773 0.790 -2.498 1.00 74.43 N ATOM 649 CA SER A 42 -16.202 0.896 -2.179 1.00 74.31 C ATOM 650 C SER A 42 -16.531 2.215 -1.464 1.00 32.15 C ATOM 651 O SER A 42 -17.418 2.954 -1.890 1.00 63.12 O ATOM 652 CB SER A 42 -16.720 -0.343 -1.395 1.00 51.02 C ATOM 653 OG SER A 42 -18.100 -0.228 -1.064 1.00 51.01 O ATOM 0 H SER A 42 -14.578 0.928 -3.490 1.00 74.43 H new ATOM 0 HA SER A 42 -16.739 0.909 -3.127 1.00 74.31 H new ATOM 0 HB2 SER A 42 -16.565 -1.241 -1.993 1.00 51.02 H new ATOM 0 HB3 SER A 42 -16.137 -0.463 -0.482 1.00 51.02 H new ATOM 0 HG SER A 42 -18.386 -1.027 -0.574 1.00 51.01 H new ATOM 659 N GLY A 43 -15.817 2.498 -0.405 1.00 20.21 N ATOM 660 CA GLY A 43 -16.031 3.702 0.346 1.00 1.52 C ATOM 661 C GLY A 43 -14.943 3.904 1.353 1.00 71.10 C ATOM 662 O GLY A 43 -14.440 5.014 1.529 1.00 24.15 O ATOM 0 H GLY A 43 -15.074 1.901 -0.042 1.00 20.21 H new ATOM 0 HA2 GLY A 43 -16.069 4.556 -0.331 1.00 1.52 H new ATOM 0 HA3 GLY A 43 -16.995 3.653 0.852 1.00 1.52 H new ATOM 666 N ARG A 44 -14.570 2.837 2.014 1.00 14.44 N ATOM 667 CA ARG A 44 -13.502 2.898 2.978 1.00 53.54 C ATOM 668 C ARG A 44 -12.161 2.796 2.306 1.00 12.22 C ATOM 669 O ARG A 44 -12.000 2.125 1.264 1.00 54.40 O ATOM 670 CB ARG A 44 -13.644 1.822 4.047 1.00 55.53 C ATOM 671 CG ARG A 44 -14.842 2.017 4.937 1.00 31.35 C ATOM 672 CD ARG A 44 -14.933 0.943 5.995 1.00 32.53 C ATOM 673 NE ARG A 44 -16.042 1.194 6.915 1.00 34.14 N ATOM 674 CZ ARG A 44 -16.512 0.332 7.820 1.00 70.24 C ATOM 675 NH1 ARG A 44 -16.043 -0.917 7.872 1.00 12.44 N ATOM 676 NH2 ARG A 44 -17.463 0.718 8.657 1.00 4.30 N ATOM 0 H ARG A 44 -14.991 1.915 1.902 1.00 14.44 H new ATOM 0 HA ARG A 44 -13.570 3.868 3.471 1.00 53.54 H new ATOM 0 HB2 ARG A 44 -13.715 0.848 3.564 1.00 55.53 H new ATOM 0 HB3 ARG A 44 -12.743 1.809 4.661 1.00 55.53 H new ATOM 0 HG2 ARG A 44 -14.785 2.995 5.415 1.00 31.35 H new ATOM 0 HG3 ARG A 44 -15.749 2.010 4.333 1.00 31.35 H new ATOM 0 HD2 ARG A 44 -15.066 -0.029 5.519 1.00 32.53 H new ATOM 0 HD3 ARG A 44 -13.998 0.900 6.553 1.00 32.53 H new ATOM 0 HE ARG A 44 -16.495 2.106 6.861 1.00 34.14 H new ATOM 0 HH11 ARG A 44 -15.321 -1.218 7.218 1.00 12.44 H new ATOM 0 HH12 ARG A 44 -16.407 -1.570 8.566 1.00 12.44 H new ATOM 0 HH21 ARG A 44 -17.831 1.668 8.607 1.00 4.30 H new ATOM 0 HH22 ARG A 44 -17.827 0.065 9.351 1.00 4.30 H new ATOM 690 N ARG A 45 -11.207 3.446 2.880 1.00 14.10 N ATOM 691 CA ARG A 45 -9.884 3.459 2.365 1.00 1.32 C ATOM 692 C ARG A 45 -8.908 2.957 3.380 1.00 73.13 C ATOM 693 O ARG A 45 -9.172 2.966 4.574 1.00 54.54 O ATOM 694 CB ARG A 45 -9.487 4.844 1.824 1.00 32.31 C ATOM 695 CG ARG A 45 -9.690 6.006 2.786 1.00 32.32 C ATOM 696 CD ARG A 45 -9.206 7.312 2.167 1.00 24.04 C ATOM 697 NE ARG A 45 -9.424 8.481 3.034 1.00 32.23 N ATOM 698 CZ ARG A 45 -8.881 9.708 2.824 1.00 62.32 C ATOM 699 NH1 ARG A 45 -7.926 9.887 1.915 1.00 4.45 N ATOM 700 NH2 ARG A 45 -9.254 10.738 3.574 1.00 61.30 N ATOM 0 H ARG A 45 -11.328 3.991 3.733 1.00 14.10 H new ATOM 0 HA ARG A 45 -9.858 2.776 1.516 1.00 1.32 H new ATOM 0 HB2 ARG A 45 -8.437 4.814 1.534 1.00 32.31 H new ATOM 0 HB3 ARG A 45 -10.062 5.040 0.919 1.00 32.31 H new ATOM 0 HG2 ARG A 45 -10.746 6.090 3.044 1.00 32.32 H new ATOM 0 HG3 ARG A 45 -9.149 5.815 3.713 1.00 32.32 H new ATOM 0 HD2 ARG A 45 -8.143 7.228 1.942 1.00 24.04 H new ATOM 0 HD3 ARG A 45 -9.721 7.470 1.219 1.00 24.04 H new ATOM 0 HE ARG A 45 -10.025 8.361 3.850 1.00 32.23 H new ATOM 0 HH11 ARG A 45 -7.592 9.096 1.364 1.00 4.45 H new ATOM 0 HH12 ARG A 45 -7.528 10.815 1.769 1.00 4.45 H new ATOM 0 HH21 ARG A 45 -9.949 10.608 4.309 1.00 61.30 H new ATOM 0 HH22 ARG A 45 -8.845 11.659 3.415 1.00 61.30 H new ATOM 714 N HIS A 46 -7.814 2.474 2.905 1.00 74.43 N ATOM 715 CA HIS A 46 -6.755 2.021 3.750 1.00 70.44 C ATOM 716 C HIS A 46 -5.503 2.755 3.425 1.00 61.51 C ATOM 717 O HIS A 46 -4.991 2.620 2.328 1.00 73.34 O ATOM 718 CB HIS A 46 -6.499 0.514 3.563 1.00 61.24 C ATOM 719 CG HIS A 46 -7.458 -0.398 4.247 1.00 14.53 C ATOM 720 ND1 HIS A 46 -8.692 -0.739 3.748 1.00 55.52 N ATOM 721 CD2 HIS A 46 -7.332 -1.055 5.411 1.00 73.41 C ATOM 722 CE1 HIS A 46 -9.287 -1.564 4.580 1.00 42.35 C ATOM 723 NE2 HIS A 46 -8.482 -1.773 5.604 1.00 35.42 N ATOM 0 H HIS A 46 -7.623 2.379 1.908 1.00 74.43 H new ATOM 0 HA HIS A 46 -7.051 2.207 4.782 1.00 70.44 H new ATOM 0 HB2 HIS A 46 -6.514 0.292 2.496 1.00 61.24 H new ATOM 0 HB3 HIS A 46 -5.494 0.288 3.921 1.00 61.24 H new ATOM 0 HD2 HIS A 46 -6.480 -1.023 6.074 1.00 73.41 H new ATOM 0 HE1 HIS A 46 -10.268 -1.997 4.448 1.00 42.35 H new ATOM 0 HE2 HIS A 46 -8.683 -2.370 6.406 1.00 35.42 H new ATOM 732 N THR A 47 -5.022 3.529 4.359 1.00 15.24 N ATOM 733 CA THR A 47 -3.745 4.154 4.218 1.00 34.40 C ATOM 734 C THR A 47 -2.749 3.157 4.785 1.00 0.42 C ATOM 735 O THR A 47 -2.583 3.066 5.995 1.00 64.01 O ATOM 736 CB THR A 47 -3.665 5.475 5.032 1.00 43.45 C ATOM 737 OG1 THR A 47 -4.789 6.320 4.728 1.00 15.10 O ATOM 738 CG2 THR A 47 -2.381 6.228 4.718 1.00 52.22 C ATOM 0 H THR A 47 -5.504 3.740 5.233 1.00 15.24 H new ATOM 0 HA THR A 47 -3.550 4.409 3.176 1.00 34.40 H new ATOM 0 HB THR A 47 -3.678 5.214 6.090 1.00 43.45 H new ATOM 0 HG1 THR A 47 -4.703 6.662 3.814 1.00 15.10 H new ATOM 0 HG21 THR A 47 -2.348 7.149 5.300 1.00 52.22 H new ATOM 0 HG22 THR A 47 -1.523 5.606 4.973 1.00 52.22 H new ATOM 0 HG23 THR A 47 -2.351 6.469 3.655 1.00 52.22 H new ATOM 746 N VAL A 48 -2.171 2.367 3.928 1.00 35.22 N ATOM 747 CA VAL A 48 -1.311 1.292 4.345 1.00 51.32 C ATOM 748 C VAL A 48 0.154 1.716 4.239 1.00 2.34 C ATOM 749 O VAL A 48 0.700 1.803 3.142 1.00 50.15 O ATOM 750 CB VAL A 48 -1.555 0.025 3.465 1.00 30.20 C ATOM 751 CG1 VAL A 48 -0.809 -1.169 3.993 1.00 72.21 C ATOM 752 CG2 VAL A 48 -3.035 -0.280 3.349 1.00 12.24 C ATOM 0 H VAL A 48 -2.281 2.448 2.917 1.00 35.22 H new ATOM 0 HA VAL A 48 -1.541 1.052 5.383 1.00 51.32 H new ATOM 0 HB VAL A 48 -1.170 0.244 2.469 1.00 30.20 H new ATOM 0 HG11 VAL A 48 -1.003 -2.031 3.355 1.00 72.21 H new ATOM 0 HG12 VAL A 48 0.260 -0.956 4.000 1.00 72.21 H new ATOM 0 HG13 VAL A 48 -1.142 -1.387 5.008 1.00 72.21 H new ATOM 0 HG21 VAL A 48 -3.176 -1.167 2.731 1.00 12.24 H new ATOM 0 HG22 VAL A 48 -3.448 -0.460 4.341 1.00 12.24 H new ATOM 0 HG23 VAL A 48 -3.546 0.567 2.891 1.00 12.24 H new ATOM 762 N PRO A 49 0.801 2.037 5.359 1.00 30.03 N ATOM 763 CA PRO A 49 2.195 2.408 5.361 1.00 24.24 C ATOM 764 C PRO A 49 3.073 1.193 5.151 1.00 54.54 C ATOM 765 O PRO A 49 3.171 0.323 6.020 1.00 65.43 O ATOM 766 CB PRO A 49 2.427 2.999 6.771 1.00 64.31 C ATOM 767 CG PRO A 49 1.068 3.116 7.371 1.00 62.33 C ATOM 768 CD PRO A 49 0.242 2.065 6.703 1.00 32.53 C ATOM 0 HA PRO A 49 2.439 3.109 4.563 1.00 24.24 H new ATOM 0 HB2 PRO A 49 3.068 2.351 7.369 1.00 64.31 H new ATOM 0 HB3 PRO A 49 2.918 3.970 6.715 1.00 64.31 H new ATOM 0 HG2 PRO A 49 1.101 2.962 8.450 1.00 62.33 H new ATOM 0 HG3 PRO A 49 0.650 4.109 7.204 1.00 62.33 H new ATOM 0 HD2 PRO A 49 0.332 1.100 7.201 1.00 32.53 H new ATOM 0 HD3 PRO A 49 -0.817 2.323 6.697 1.00 32.53 H new ATOM 776 N ARG A 50 3.687 1.115 3.997 1.00 74.42 N ATOM 777 CA ARG A 50 4.579 0.041 3.701 1.00 54.52 C ATOM 778 C ARG A 50 5.896 0.453 3.126 1.00 14.40 C ATOM 779 O ARG A 50 6.012 1.421 2.391 1.00 3.02 O ATOM 780 CB ARG A 50 3.946 -1.156 2.994 1.00 73.34 C ATOM 781 CG ARG A 50 3.392 -2.142 3.991 1.00 42.11 C ATOM 782 CD ARG A 50 2.914 -3.424 3.367 1.00 12.53 C ATOM 783 NE ARG A 50 2.979 -4.497 4.371 1.00 21.11 N ATOM 784 CZ ARG A 50 2.820 -5.797 4.144 1.00 63.22 C ATOM 785 NH1 ARG A 50 2.289 -6.225 3.003 1.00 13.24 N ATOM 786 NH2 ARG A 50 3.177 -6.665 5.075 1.00 52.41 N ATOM 0 H ARG A 50 3.578 1.795 3.244 1.00 74.42 H new ATOM 0 HA ARG A 50 4.825 -0.338 4.693 1.00 54.52 H new ATOM 0 HB2 ARG A 50 3.149 -0.813 2.335 1.00 73.34 H new ATOM 0 HB3 ARG A 50 4.690 -1.647 2.366 1.00 73.34 H new ATOM 0 HG2 ARG A 50 4.161 -2.371 4.729 1.00 42.11 H new ATOM 0 HG3 ARG A 50 2.564 -1.678 4.527 1.00 42.11 H new ATOM 0 HD2 ARG A 50 1.893 -3.309 3.005 1.00 12.53 H new ATOM 0 HD3 ARG A 50 3.532 -3.677 2.505 1.00 12.53 H new ATOM 0 HE ARG A 50 3.164 -4.216 5.334 1.00 21.11 H new ATOM 0 HH11 ARG A 50 1.999 -5.554 2.292 1.00 13.24 H new ATOM 0 HH12 ARG A 50 2.171 -7.225 2.839 1.00 13.24 H new ATOM 0 HH21 ARG A 50 3.570 -6.335 5.956 1.00 52.41 H new ATOM 0 HH22 ARG A 50 3.060 -7.665 4.912 1.00 52.41 H new ATOM 800 N ARG A 51 6.890 -0.265 3.535 1.00 43.52 N ATOM 801 CA ARG A 51 8.243 -0.041 3.133 1.00 42.32 C ATOM 802 C ARG A 51 8.569 -0.957 1.968 1.00 24.12 C ATOM 803 O ARG A 51 7.830 -1.920 1.721 1.00 51.52 O ATOM 804 CB ARG A 51 9.165 -0.316 4.335 1.00 60.32 C ATOM 805 CG ARG A 51 9.037 -1.723 4.921 1.00 25.51 C ATOM 806 CD ARG A 51 9.822 -1.906 6.225 1.00 72.23 C ATOM 807 NE ARG A 51 9.663 -3.277 6.757 1.00 63.04 N ATOM 808 CZ ARG A 51 9.071 -3.600 7.936 1.00 44.41 C ATOM 809 NH1 ARG A 51 8.605 -2.661 8.740 1.00 53.54 N ATOM 810 NH2 ARG A 51 8.963 -4.870 8.297 1.00 10.44 N ATOM 0 H ARG A 51 6.781 -1.049 4.179 1.00 43.52 H new ATOM 0 HA ARG A 51 8.389 0.990 2.810 1.00 42.32 H new ATOM 0 HB2 ARG A 51 10.199 -0.156 4.028 1.00 60.32 H new ATOM 0 HB3 ARG A 51 8.948 0.411 5.117 1.00 60.32 H new ATOM 0 HG2 ARG A 51 7.985 -1.939 5.104 1.00 25.51 H new ATOM 0 HG3 ARG A 51 9.388 -2.449 4.188 1.00 25.51 H new ATOM 0 HD2 ARG A 51 10.878 -1.702 6.049 1.00 72.23 H new ATOM 0 HD3 ARG A 51 9.477 -1.184 6.965 1.00 72.23 H new ATOM 0 HE ARG A 51 10.028 -4.043 6.192 1.00 63.04 H new ATOM 0 HH11 ARG A 51 8.687 -1.679 8.478 1.00 53.54 H new ATOM 0 HH12 ARG A 51 8.163 -2.918 9.622 1.00 53.54 H new ATOM 0 HH21 ARG A 51 9.324 -5.605 7.690 1.00 10.44 H new ATOM 0 HH22 ARG A 51 8.518 -5.112 9.182 1.00 10.44 H new ATOM 824 N TYR A 52 9.664 -0.678 1.261 1.00 4.13 N ATOM 825 CA TYR A 52 10.082 -1.500 0.114 1.00 1.34 C ATOM 826 C TYR A 52 10.227 -2.968 0.471 1.00 34.31 C ATOM 827 O TYR A 52 9.856 -3.837 -0.310 1.00 23.00 O ATOM 828 CB TYR A 52 11.375 -0.987 -0.520 1.00 33.32 C ATOM 829 CG TYR A 52 11.209 0.150 -1.505 1.00 23.32 C ATOM 830 CD1 TYR A 52 11.260 1.493 -1.123 1.00 54.55 C ATOM 831 CD2 TYR A 52 11.025 -0.136 -2.851 1.00 74.40 C ATOM 832 CE1 TYR A 52 11.129 2.481 -2.062 1.00 74.21 C ATOM 833 CE2 TYR A 52 10.891 0.860 -3.782 1.00 71.22 C ATOM 834 CZ TYR A 52 10.946 2.168 -3.383 1.00 14.24 C ATOM 835 OH TYR A 52 10.824 3.179 -4.315 1.00 41.54 O ATOM 0 H TYR A 52 10.281 0.110 1.459 1.00 4.13 H new ATOM 0 HA TYR A 52 9.280 -1.411 -0.618 1.00 1.34 H new ATOM 0 HB2 TYR A 52 12.045 -0.661 0.275 1.00 33.32 H new ATOM 0 HB3 TYR A 52 11.864 -1.817 -1.029 1.00 33.32 H new ATOM 0 HD1 TYR A 52 11.403 1.753 -0.084 1.00 54.55 H new ATOM 0 HD2 TYR A 52 10.987 -1.167 -3.171 1.00 74.40 H new ATOM 0 HE1 TYR A 52 11.170 3.517 -1.758 1.00 74.21 H new ATOM 0 HE2 TYR A 52 10.743 0.615 -4.823 1.00 71.22 H new ATOM 0 HH TYR A 52 11.486 3.877 -4.129 1.00 41.54 H new ATOM 845 N SER A 53 10.736 -3.238 1.652 1.00 14.50 N ATOM 846 CA SER A 53 10.931 -4.602 2.084 1.00 23.24 C ATOM 847 C SER A 53 9.559 -5.313 2.286 1.00 74.52 C ATOM 848 O SER A 53 9.410 -6.504 1.983 1.00 60.12 O ATOM 849 CB SER A 53 11.807 -4.634 3.348 1.00 54.32 C ATOM 850 OG SER A 53 12.190 -5.954 3.687 1.00 61.41 O ATOM 0 H SER A 53 11.022 -2.531 2.329 1.00 14.50 H new ATOM 0 HA SER A 53 11.460 -5.157 1.310 1.00 23.24 H new ATOM 0 HB2 SER A 53 12.698 -4.026 3.189 1.00 54.32 H new ATOM 0 HB3 SER A 53 11.262 -4.188 4.180 1.00 54.32 H new ATOM 0 HG SER A 53 12.747 -5.936 4.493 1.00 61.41 H new ATOM 856 N GLU A 54 8.555 -4.557 2.742 1.00 34.23 N ATOM 857 CA GLU A 54 7.212 -5.095 2.914 1.00 42.21 C ATOM 858 C GLU A 54 6.555 -5.310 1.572 1.00 14.44 C ATOM 859 O GLU A 54 5.909 -6.328 1.357 1.00 32.43 O ATOM 860 CB GLU A 54 6.346 -4.199 3.793 1.00 41.15 C ATOM 861 CG GLU A 54 6.702 -4.219 5.266 1.00 5.22 C ATOM 862 CD GLU A 54 6.470 -5.574 5.890 1.00 74.31 C ATOM 863 OE1 GLU A 54 7.365 -6.430 5.820 1.00 62.31 O ATOM 864 OE2 GLU A 54 5.376 -5.807 6.444 1.00 73.42 O ATOM 0 H GLU A 54 8.652 -3.574 2.997 1.00 34.23 H new ATOM 0 HA GLU A 54 7.308 -6.055 3.422 1.00 42.21 H new ATOM 0 HB2 GLU A 54 6.422 -3.174 3.429 1.00 41.15 H new ATOM 0 HB3 GLU A 54 5.305 -4.501 3.681 1.00 41.15 H new ATOM 0 HG2 GLU A 54 7.748 -3.938 5.389 1.00 5.22 H new ATOM 0 HG3 GLU A 54 6.108 -3.472 5.792 1.00 5.22 H new ATOM 871 N PHE A 55 6.717 -4.333 0.665 1.00 52.10 N ATOM 872 CA PHE A 55 6.230 -4.456 -0.686 1.00 60.24 C ATOM 873 C PHE A 55 6.823 -5.686 -1.352 1.00 74.11 C ATOM 874 O PHE A 55 6.123 -6.393 -2.049 1.00 72.23 O ATOM 875 CB PHE A 55 6.563 -3.202 -1.506 1.00 1.15 C ATOM 876 CG PHE A 55 6.073 -3.267 -2.935 1.00 44.54 C ATOM 877 CD1 PHE A 55 4.794 -2.862 -3.255 1.00 23.32 C ATOM 878 CD2 PHE A 55 6.893 -3.742 -3.954 1.00 14.04 C ATOM 879 CE1 PHE A 55 4.338 -2.925 -4.561 1.00 11.20 C ATOM 880 CE2 PHE A 55 6.437 -3.804 -5.254 1.00 32.43 C ATOM 881 CZ PHE A 55 5.159 -3.396 -5.556 1.00 50.51 C ATOM 0 H PHE A 55 7.187 -3.450 0.862 1.00 52.10 H new ATOM 0 HA PHE A 55 5.146 -4.562 -0.645 1.00 60.24 H new ATOM 0 HB2 PHE A 55 6.123 -2.332 -1.019 1.00 1.15 H new ATOM 0 HB3 PHE A 55 7.643 -3.055 -1.507 1.00 1.15 H new ATOM 0 HD1 PHE A 55 4.141 -2.492 -2.479 1.00 23.32 H new ATOM 0 HD2 PHE A 55 7.897 -4.066 -3.724 1.00 14.04 H new ATOM 0 HE1 PHE A 55 3.335 -2.603 -4.798 1.00 11.20 H new ATOM 0 HE2 PHE A 55 7.084 -4.173 -6.036 1.00 32.43 H new ATOM 0 HZ PHE A 55 4.802 -3.446 -6.574 1.00 50.51 H new ATOM 891 N HIS A 56 8.121 -5.931 -1.133 1.00 34.51 N ATOM 892 CA HIS A 56 8.780 -7.109 -1.708 1.00 32.04 C ATOM 893 C HIS A 56 8.081 -8.387 -1.294 1.00 23.44 C ATOM 894 O HIS A 56 7.660 -9.163 -2.150 1.00 74.42 O ATOM 895 CB HIS A 56 10.294 -7.183 -1.382 1.00 21.41 C ATOM 896 CG HIS A 56 11.129 -6.125 -2.048 1.00 64.31 C ATOM 897 ND1 HIS A 56 12.327 -5.664 -1.543 1.00 55.15 N ATOM 898 CD2 HIS A 56 10.943 -5.470 -3.214 1.00 51.24 C ATOM 899 CE1 HIS A 56 12.835 -4.772 -2.371 1.00 62.54 C ATOM 900 NE2 HIS A 56 12.009 -4.639 -3.393 1.00 71.13 N ATOM 0 H HIS A 56 8.729 -5.337 -0.569 1.00 34.51 H new ATOM 0 HA HIS A 56 8.699 -6.999 -2.789 1.00 32.04 H new ATOM 0 HB2 HIS A 56 10.424 -7.104 -0.303 1.00 21.41 H new ATOM 0 HB3 HIS A 56 10.669 -8.163 -1.678 1.00 21.41 H new ATOM 0 HD2 HIS A 56 10.103 -5.584 -3.883 1.00 51.24 H new ATOM 0 HE1 HIS A 56 13.766 -4.242 -2.237 1.00 62.54 H new ATOM 0 HE2 HIS A 56 12.146 -4.015 -4.188 1.00 71.13 H new ATOM 909 N ALA A 57 7.918 -8.575 0.010 1.00 63.42 N ATOM 910 CA ALA A 57 7.262 -9.764 0.547 1.00 13.43 C ATOM 911 C ALA A 57 5.800 -9.848 0.100 1.00 14.14 C ATOM 912 O ALA A 57 5.329 -10.910 -0.314 1.00 41.44 O ATOM 913 CB ALA A 57 7.358 -9.781 2.052 1.00 32.13 C ATOM 0 H ALA A 57 8.233 -7.915 0.721 1.00 63.42 H new ATOM 0 HA ALA A 57 7.779 -10.639 0.152 1.00 13.43 H new ATOM 0 HB1 ALA A 57 6.865 -10.673 2.438 1.00 32.13 H new ATOM 0 HB2 ALA A 57 8.407 -9.789 2.350 1.00 32.13 H new ATOM 0 HB3 ALA A 57 6.872 -8.894 2.458 1.00 32.13 H new ATOM 919 N LEU A 58 5.100 -8.720 0.171 1.00 24.01 N ATOM 920 CA LEU A 58 3.703 -8.630 -0.257 1.00 62.11 C ATOM 921 C LEU A 58 3.565 -9.026 -1.708 1.00 30.12 C ATOM 922 O LEU A 58 2.761 -9.882 -2.054 1.00 44.10 O ATOM 923 CB LEU A 58 3.207 -7.177 -0.087 1.00 15.33 C ATOM 924 CG LEU A 58 1.831 -6.815 -0.696 1.00 73.35 C ATOM 925 CD1 LEU A 58 0.693 -7.603 -0.065 1.00 73.31 C ATOM 926 CD2 LEU A 58 1.577 -5.319 -0.590 1.00 51.42 C ATOM 0 H LEU A 58 5.482 -7.843 0.526 1.00 24.01 H new ATOM 0 HA LEU A 58 3.108 -9.307 0.356 1.00 62.11 H new ATOM 0 HB2 LEU A 58 3.171 -6.957 0.980 1.00 15.33 H new ATOM 0 HB3 LEU A 58 3.953 -6.514 -0.524 1.00 15.33 H new ATOM 0 HG LEU A 58 1.862 -7.093 -1.750 1.00 73.35 H new ATOM 0 HD11 LEU A 58 -0.251 -7.312 -0.527 1.00 73.31 H new ATOM 0 HD12 LEU A 58 0.859 -8.669 -0.219 1.00 73.31 H new ATOM 0 HD13 LEU A 58 0.654 -7.393 1.004 1.00 73.31 H new ATOM 0 HD21 LEU A 58 0.605 -5.083 -1.023 1.00 51.42 H new ATOM 0 HD22 LEU A 58 1.589 -5.021 0.459 1.00 51.42 H new ATOM 0 HD23 LEU A 58 2.355 -4.779 -1.129 1.00 51.42 H new ATOM 938 N HIS A 59 4.394 -8.437 -2.530 1.00 12.23 N ATOM 939 CA HIS A 59 4.324 -8.619 -3.952 1.00 5.53 C ATOM 940 C HIS A 59 4.685 -10.039 -4.332 1.00 4.01 C ATOM 941 O HIS A 59 3.992 -10.641 -5.131 1.00 74.11 O ATOM 942 CB HIS A 59 5.248 -7.618 -4.660 1.00 30.32 C ATOM 943 CG HIS A 59 5.127 -7.578 -6.152 1.00 2.13 C ATOM 944 ND1 HIS A 59 4.568 -6.511 -6.819 1.00 52.44 N ATOM 945 CD2 HIS A 59 5.538 -8.442 -7.111 1.00 43.01 C ATOM 946 CE1 HIS A 59 4.640 -6.719 -8.109 1.00 30.34 C ATOM 947 NE2 HIS A 59 5.224 -7.882 -8.311 1.00 55.02 N ATOM 0 H HIS A 59 5.142 -7.813 -2.227 1.00 12.23 H new ATOM 0 HA HIS A 59 3.299 -8.435 -4.273 1.00 5.53 H new ATOM 0 HB2 HIS A 59 5.044 -6.621 -4.269 1.00 30.32 H new ATOM 0 HB3 HIS A 59 6.280 -7.856 -4.402 1.00 30.32 H new ATOM 0 HD1 HIS A 59 4.161 -5.687 -6.377 1.00 52.44 H new ATOM 0 HD2 HIS A 59 6.023 -9.394 -6.953 1.00 43.01 H new ATOM 0 HE1 HIS A 59 4.281 -6.050 -8.878 1.00 30.34 H new ATOM 0 HE2 HIS A 59 5.411 -8.298 -9.223 1.00 55.02 H new ATOM 956 N LYS A 60 5.763 -10.577 -3.757 1.00 44.13 N ATOM 957 CA LYS A 60 6.195 -11.916 -4.124 1.00 24.03 C ATOM 958 C LYS A 60 5.195 -12.985 -3.718 1.00 51.13 C ATOM 959 O LYS A 60 4.988 -13.961 -4.452 1.00 52.00 O ATOM 960 CB LYS A 60 7.569 -12.285 -3.588 1.00 34.11 C ATOM 961 CG LYS A 60 7.702 -12.242 -2.077 1.00 13.50 C ATOM 962 CD LYS A 60 8.941 -12.967 -1.630 1.00 73.43 C ATOM 963 CE LYS A 60 8.772 -14.477 -1.801 1.00 12.41 C ATOM 964 NZ LYS A 60 7.783 -15.038 -0.848 1.00 21.13 N ATOM 0 H LYS A 60 6.337 -10.115 -3.052 1.00 44.13 H new ATOM 0 HA LYS A 60 6.259 -11.884 -5.212 1.00 24.03 H new ATOM 0 HB2 LYS A 60 7.818 -13.289 -3.931 1.00 34.11 H new ATOM 0 HB3 LYS A 60 8.305 -11.608 -4.022 1.00 34.11 H new ATOM 0 HG2 LYS A 60 7.740 -11.206 -1.740 1.00 13.50 H new ATOM 0 HG3 LYS A 60 6.824 -12.695 -1.617 1.00 13.50 H new ATOM 0 HD2 LYS A 60 9.799 -12.624 -2.209 1.00 73.43 H new ATOM 0 HD3 LYS A 60 9.148 -12.735 -0.585 1.00 73.43 H new ATOM 0 HE2 LYS A 60 8.455 -14.693 -2.821 1.00 12.41 H new ATOM 0 HE3 LYS A 60 9.734 -14.968 -1.656 1.00 12.41 H new ATOM 0 HZ1 LYS A 60 7.913 -16.067 -0.778 1.00 21.13 H new ATOM 0 HZ2 LYS A 60 7.921 -14.607 0.089 1.00 21.13 H new ATOM 0 HZ3 LYS A 60 6.821 -14.833 -1.185 1.00 21.13 H new ATOM 978 N ARG A 61 4.572 -12.809 -2.564 1.00 63.13 N ATOM 979 CA ARG A 61 3.638 -13.793 -2.079 1.00 4.54 C ATOM 980 C ARG A 61 2.401 -13.820 -2.949 1.00 64.05 C ATOM 981 O ARG A 61 1.847 -14.877 -3.228 1.00 23.55 O ATOM 982 CB ARG A 61 3.261 -13.540 -0.625 1.00 31.14 C ATOM 983 CG ARG A 61 2.382 -14.630 -0.037 1.00 42.23 C ATOM 984 CD ARG A 61 2.065 -14.373 1.412 1.00 71.21 C ATOM 985 NE ARG A 61 1.261 -15.450 1.981 1.00 51.15 N ATOM 986 CZ ARG A 61 0.976 -15.589 3.276 1.00 14.32 C ATOM 987 NH1 ARG A 61 1.437 -14.712 4.169 1.00 13.13 N ATOM 988 NH2 ARG A 61 0.231 -16.609 3.677 1.00 23.44 N ATOM 0 H ARG A 61 4.699 -12.000 -1.956 1.00 63.13 H new ATOM 0 HA ARG A 61 4.126 -14.766 -2.129 1.00 4.54 H new ATOM 0 HB2 ARG A 61 4.170 -13.455 -0.030 1.00 31.14 H new ATOM 0 HB3 ARG A 61 2.742 -12.584 -0.552 1.00 31.14 H new ATOM 0 HG2 ARG A 61 1.454 -14.695 -0.606 1.00 42.23 H new ATOM 0 HG3 ARG A 61 2.884 -15.593 -0.134 1.00 42.23 H new ATOM 0 HD2 ARG A 61 2.992 -14.272 1.976 1.00 71.21 H new ATOM 0 HD3 ARG A 61 1.530 -13.428 1.507 1.00 71.21 H new ATOM 0 HE ARG A 61 0.889 -16.150 1.339 1.00 51.15 H new ATOM 0 HH11 ARG A 61 2.012 -13.927 3.863 1.00 13.13 H new ATOM 0 HH12 ARG A 61 1.214 -14.826 5.158 1.00 13.13 H new ATOM 0 HH21 ARG A 61 -0.121 -17.282 2.996 1.00 23.44 H new ATOM 0 HH22 ARG A 61 0.009 -16.721 4.666 1.00 23.44 H new ATOM 1002 N ILE A 62 1.976 -12.667 -3.396 1.00 42.15 N ATOM 1003 CA ILE A 62 0.811 -12.624 -4.219 1.00 3.33 C ATOM 1004 C ILE A 62 1.086 -12.893 -5.685 1.00 61.14 C ATOM 1005 O ILE A 62 0.225 -13.402 -6.364 1.00 15.04 O ATOM 1006 CB ILE A 62 -0.047 -11.370 -4.049 1.00 61.11 C ATOM 1007 CG1 ILE A 62 0.737 -10.087 -4.297 1.00 63.51 C ATOM 1008 CG2 ILE A 62 -0.726 -11.359 -2.686 1.00 22.13 C ATOM 1009 CD1 ILE A 62 -0.130 -8.858 -4.263 1.00 31.43 C ATOM 0 H ILE A 62 2.413 -11.765 -3.205 1.00 42.15 H new ATOM 0 HA ILE A 62 0.218 -13.456 -3.840 1.00 3.33 H new ATOM 0 HB ILE A 62 -0.823 -11.406 -4.814 1.00 61.11 H new ATOM 0 HG12 ILE A 62 1.520 -9.994 -3.545 1.00 63.51 H new ATOM 0 HG13 ILE A 62 1.232 -10.150 -5.266 1.00 63.51 H new ATOM 0 HG21 ILE A 62 -1.331 -10.457 -2.588 1.00 22.13 H new ATOM 0 HG22 ILE A 62 -1.365 -12.237 -2.591 1.00 22.13 H new ATOM 0 HG23 ILE A 62 0.031 -11.375 -1.902 1.00 22.13 H new ATOM 0 HD11 ILE A 62 0.483 -7.975 -4.446 1.00 31.43 H new ATOM 0 HD12 ILE A 62 -0.898 -8.933 -5.033 1.00 31.43 H new ATOM 0 HD13 ILE A 62 -0.604 -8.774 -3.285 1.00 31.43 H new ATOM 1021 N LYS A 63 2.288 -12.571 -6.181 1.00 11.14 N ATOM 1022 CA LYS A 63 2.591 -12.840 -7.598 1.00 10.13 C ATOM 1023 C LYS A 63 2.677 -14.317 -7.868 1.00 24.02 C ATOM 1024 O LYS A 63 2.437 -14.764 -8.988 1.00 22.25 O ATOM 1025 CB LYS A 63 3.822 -12.043 -8.144 1.00 72.42 C ATOM 1026 CG LYS A 63 5.173 -12.296 -7.464 1.00 43.14 C ATOM 1027 CD LYS A 63 5.820 -13.646 -7.796 1.00 63.40 C ATOM 1028 CE LYS A 63 6.159 -13.771 -9.279 1.00 34.44 C ATOM 1029 NZ LYS A 63 6.870 -15.031 -9.575 1.00 21.13 N ATOM 0 H LYS A 63 3.043 -12.140 -5.648 1.00 11.14 H new ATOM 0 HA LYS A 63 1.747 -12.456 -8.171 1.00 10.13 H new ATOM 0 HB2 LYS A 63 3.929 -12.270 -9.205 1.00 72.42 H new ATOM 0 HB3 LYS A 63 3.598 -10.979 -8.067 1.00 72.42 H new ATOM 0 HG2 LYS A 63 5.861 -11.500 -7.748 1.00 43.14 H new ATOM 0 HG3 LYS A 63 5.038 -12.230 -6.384 1.00 43.14 H new ATOM 0 HD2 LYS A 63 6.728 -13.767 -7.206 1.00 63.40 H new ATOM 0 HD3 LYS A 63 5.144 -14.452 -7.510 1.00 63.40 H new ATOM 0 HE2 LYS A 63 5.242 -13.724 -9.867 1.00 34.44 H new ATOM 0 HE3 LYS A 63 6.776 -12.925 -9.583 1.00 34.44 H new ATOM 0 HZ1 LYS A 63 7.083 -15.079 -10.592 1.00 21.13 H new ATOM 0 HZ2 LYS A 63 7.757 -15.064 -9.034 1.00 21.13 H new ATOM 0 HZ3 LYS A 63 6.271 -15.838 -9.308 1.00 21.13 H new ATOM 1043 N LYS A 64 3.040 -15.087 -6.842 1.00 2.21 N ATOM 1044 CA LYS A 64 3.033 -16.521 -6.976 1.00 51.22 C ATOM 1045 C LYS A 64 1.591 -17.039 -7.162 1.00 20.42 C ATOM 1046 O LYS A 64 1.357 -18.002 -7.893 1.00 40.40 O ATOM 1047 CB LYS A 64 3.690 -17.192 -5.763 1.00 22.51 C ATOM 1048 CG LYS A 64 3.720 -18.709 -5.861 1.00 74.33 C ATOM 1049 CD LYS A 64 4.365 -19.349 -4.655 1.00 3.44 C ATOM 1050 CE LYS A 64 4.372 -20.862 -4.805 1.00 42.22 C ATOM 1051 NZ LYS A 64 4.998 -21.537 -3.654 1.00 15.51 N ATOM 0 H LYS A 64 3.335 -14.739 -5.930 1.00 2.21 H new ATOM 0 HA LYS A 64 3.614 -16.779 -7.861 1.00 51.22 H new ATOM 0 HB2 LYS A 64 4.710 -16.821 -5.659 1.00 22.51 H new ATOM 0 HB3 LYS A 64 3.152 -16.903 -4.860 1.00 22.51 H new ATOM 0 HG2 LYS A 64 2.702 -19.084 -5.968 1.00 74.33 H new ATOM 0 HG3 LYS A 64 4.263 -19.002 -6.759 1.00 74.33 H new ATOM 0 HD2 LYS A 64 5.385 -18.983 -4.542 1.00 3.44 H new ATOM 0 HD3 LYS A 64 3.823 -19.068 -3.752 1.00 3.44 H new ATOM 0 HE2 LYS A 64 3.348 -21.218 -4.919 1.00 42.22 H new ATOM 0 HE3 LYS A 64 4.906 -21.132 -5.716 1.00 42.22 H new ATOM 0 HZ1 LYS A 64 4.979 -22.566 -3.803 1.00 15.51 H new ATOM 0 HZ2 LYS A 64 5.984 -21.219 -3.559 1.00 15.51 H new ATOM 0 HZ3 LYS A 64 4.474 -21.303 -2.787 1.00 15.51 H new ATOM 1065 N LEU A 65 0.638 -16.374 -6.531 1.00 11.35 N ATOM 1066 CA LEU A 65 -0.740 -16.827 -6.563 1.00 23.51 C ATOM 1067 C LEU A 65 -1.648 -16.106 -7.573 1.00 1.53 C ATOM 1068 O LEU A 65 -2.298 -16.770 -8.393 1.00 60.31 O ATOM 1069 CB LEU A 65 -1.394 -16.852 -5.161 1.00 12.45 C ATOM 1070 CG LEU A 65 -0.945 -17.954 -4.160 1.00 51.04 C ATOM 1071 CD1 LEU A 65 -1.178 -19.344 -4.727 1.00 1.21 C ATOM 1072 CD2 LEU A 65 0.502 -17.787 -3.721 1.00 14.45 C ATOM 0 H LEU A 65 0.793 -15.522 -5.993 1.00 11.35 H new ATOM 0 HA LEU A 65 -0.655 -17.851 -6.926 1.00 23.51 H new ATOM 0 HB2 LEU A 65 -1.215 -15.884 -4.693 1.00 12.45 H new ATOM 0 HB3 LEU A 65 -2.471 -16.945 -5.298 1.00 12.45 H new ATOM 0 HG LEU A 65 -1.566 -17.836 -3.272 1.00 51.04 H new ATOM 0 HD11 LEU A 65 -0.854 -20.091 -4.003 1.00 1.21 H new ATOM 0 HD12 LEU A 65 -2.239 -19.478 -4.937 1.00 1.21 H new ATOM 0 HD13 LEU A 65 -0.608 -19.461 -5.649 1.00 1.21 H new ATOM 0 HD21 LEU A 65 0.764 -18.582 -3.023 1.00 14.45 H new ATOM 0 HD22 LEU A 65 1.155 -17.839 -4.592 1.00 14.45 H new ATOM 0 HD23 LEU A 65 0.625 -16.820 -3.233 1.00 14.45 H new ATOM 1084 N TYR A 66 -1.713 -14.779 -7.549 1.00 1.31 N ATOM 1085 CA TYR A 66 -2.700 -14.105 -8.384 1.00 12.13 C ATOM 1086 C TYR A 66 -2.051 -13.159 -9.405 1.00 13.31 C ATOM 1087 O TYR A 66 -0.824 -13.102 -9.519 1.00 73.42 O ATOM 1088 CB TYR A 66 -3.815 -13.411 -7.513 1.00 71.10 C ATOM 1089 CG TYR A 66 -3.615 -11.985 -7.040 1.00 71.10 C ATOM 1090 CD1 TYR A 66 -3.005 -11.714 -5.845 1.00 64.10 C ATOM 1091 CD2 TYR A 66 -4.106 -10.917 -7.779 1.00 50.12 C ATOM 1092 CE1 TYR A 66 -2.875 -10.418 -5.401 1.00 33.11 C ATOM 1093 CE2 TYR A 66 -3.985 -9.620 -7.337 1.00 54.24 C ATOM 1094 CZ TYR A 66 -3.366 -9.380 -6.145 1.00 34.02 C ATOM 1095 OH TYR A 66 -3.244 -8.101 -5.685 1.00 63.33 O ATOM 0 H TYR A 66 -1.120 -14.169 -6.985 1.00 1.31 H new ATOM 0 HA TYR A 66 -3.204 -14.869 -8.976 1.00 12.13 H new ATOM 0 HB2 TYR A 66 -4.741 -13.437 -8.087 1.00 71.10 H new ATOM 0 HB3 TYR A 66 -3.970 -14.029 -6.629 1.00 71.10 H new ATOM 0 HD1 TYR A 66 -2.622 -12.526 -5.244 1.00 64.10 H new ATOM 0 HD2 TYR A 66 -4.594 -11.109 -8.723 1.00 50.12 H new ATOM 0 HE1 TYR A 66 -2.383 -10.219 -4.460 1.00 33.11 H new ATOM 0 HE2 TYR A 66 -4.375 -8.803 -7.926 1.00 54.24 H new ATOM 0 HH TYR A 66 -4.098 -7.632 -5.792 1.00 63.33 H new ATOM 1105 N LYS A 67 -2.890 -12.460 -10.158 1.00 62.24 N ATOM 1106 CA LYS A 67 -2.470 -11.545 -11.219 1.00 33.52 C ATOM 1107 C LYS A 67 -1.731 -10.350 -10.637 1.00 45.45 C ATOM 1108 O LYS A 67 -2.341 -9.460 -10.042 1.00 53.44 O ATOM 1109 CB LYS A 67 -3.703 -11.062 -11.977 1.00 61.33 C ATOM 1110 CG LYS A 67 -3.415 -10.399 -13.307 1.00 53.00 C ATOM 1111 CD LYS A 67 -2.715 -11.359 -14.252 1.00 20.05 C ATOM 1112 CE LYS A 67 -2.537 -10.750 -15.618 1.00 24.14 C ATOM 1113 NZ LYS A 67 -3.832 -10.386 -16.240 1.00 55.21 N ATOM 0 H LYS A 67 -3.903 -12.512 -10.049 1.00 62.24 H new ATOM 0 HA LYS A 67 -1.796 -12.072 -11.895 1.00 33.52 H new ATOM 0 HB2 LYS A 67 -4.363 -11.913 -12.147 1.00 61.33 H new ATOM 0 HB3 LYS A 67 -4.246 -10.358 -11.347 1.00 61.33 H new ATOM 0 HG2 LYS A 67 -4.347 -10.056 -13.756 1.00 53.00 H new ATOM 0 HG3 LYS A 67 -2.793 -9.518 -13.151 1.00 53.00 H new ATOM 0 HD2 LYS A 67 -1.742 -11.630 -13.843 1.00 20.05 H new ATOM 0 HD3 LYS A 67 -3.294 -12.279 -14.334 1.00 20.05 H new ATOM 0 HE2 LYS A 67 -1.911 -9.861 -15.539 1.00 24.14 H new ATOM 0 HE3 LYS A 67 -2.011 -11.454 -16.263 1.00 24.14 H new ATOM 0 HZ1 LYS A 67 -3.710 -10.296 -17.269 1.00 55.21 H new ATOM 0 HZ2 LYS A 67 -4.534 -11.126 -16.039 1.00 55.21 H new ATOM 0 HZ3 LYS A 67 -4.162 -9.480 -15.850 1.00 55.21 H new ATOM 1127 N VAL A 68 -0.429 -10.342 -10.804 1.00 35.42 N ATOM 1128 CA VAL A 68 0.417 -9.314 -10.245 1.00 15.32 C ATOM 1129 C VAL A 68 1.530 -8.948 -11.255 1.00 74.53 C ATOM 1130 O VAL A 68 2.165 -9.840 -11.818 1.00 52.32 O ATOM 1131 CB VAL A 68 1.060 -9.817 -8.911 1.00 40.44 C ATOM 1132 CG1 VAL A 68 1.913 -8.764 -8.291 1.00 32.41 C ATOM 1133 CG2 VAL A 68 0.005 -10.270 -7.917 1.00 62.41 C ATOM 0 H VAL A 68 0.076 -11.052 -11.334 1.00 35.42 H new ATOM 0 HA VAL A 68 -0.187 -8.431 -10.038 1.00 15.32 H new ATOM 0 HB VAL A 68 1.685 -10.673 -9.166 1.00 40.44 H new ATOM 0 HG11 VAL A 68 2.346 -9.144 -7.366 1.00 32.41 H new ATOM 0 HG12 VAL A 68 2.712 -8.491 -8.980 1.00 32.41 H new ATOM 0 HG13 VAL A 68 1.306 -7.885 -8.073 1.00 32.41 H new ATOM 0 HG21 VAL A 68 0.490 -10.613 -7.003 1.00 62.41 H new ATOM 0 HG22 VAL A 68 -0.659 -9.437 -7.686 1.00 62.41 H new ATOM 0 HG23 VAL A 68 -0.574 -11.086 -8.348 1.00 62.41 H new ATOM 1143 N PRO A 69 1.769 -7.629 -11.498 1.00 25.45 N ATOM 1144 CA PRO A 69 2.791 -7.156 -12.451 1.00 1.21 C ATOM 1145 C PRO A 69 4.222 -7.221 -11.868 1.00 52.21 C ATOM 1146 O PRO A 69 4.481 -7.959 -10.916 1.00 71.42 O ATOM 1147 CB PRO A 69 2.374 -5.700 -12.693 1.00 74.33 C ATOM 1148 CG PRO A 69 1.710 -5.279 -11.431 1.00 74.22 C ATOM 1149 CD PRO A 69 1.053 -6.504 -10.866 1.00 35.44 C ATOM 0 HA PRO A 69 2.832 -7.767 -13.353 1.00 1.21 H new ATOM 0 HB2 PRO A 69 3.238 -5.073 -12.914 1.00 74.33 H new ATOM 0 HB3 PRO A 69 1.696 -5.619 -13.543 1.00 74.33 H new ATOM 0 HG2 PRO A 69 2.436 -4.869 -10.729 1.00 74.22 H new ATOM 0 HG3 PRO A 69 0.975 -4.497 -11.622 1.00 74.22 H new ATOM 0 HD2 PRO A 69 1.141 -6.537 -9.780 1.00 35.44 H new ATOM 0 HD3 PRO A 69 -0.011 -6.528 -11.101 1.00 35.44 H new ATOM 1157 N ASP A 70 5.137 -6.447 -12.445 1.00 31.40 N ATOM 1158 CA ASP A 70 6.555 -6.437 -12.032 1.00 33.12 C ATOM 1159 C ASP A 70 6.764 -5.650 -10.714 1.00 74.51 C ATOM 1160 O ASP A 70 5.880 -4.917 -10.282 1.00 22.34 O ATOM 1161 CB ASP A 70 7.424 -5.869 -13.167 1.00 21.25 C ATOM 1162 CG ASP A 70 8.902 -5.917 -12.870 1.00 62.42 C ATOM 1163 OD1 ASP A 70 9.459 -7.033 -12.793 1.00 32.44 O ATOM 1164 OD2 ASP A 70 9.521 -4.851 -12.690 1.00 73.31 O ATOM 0 H ASP A 70 4.927 -5.807 -13.211 1.00 31.40 H new ATOM 0 HA ASP A 70 6.862 -7.464 -11.835 1.00 33.12 H new ATOM 0 HB2 ASP A 70 7.226 -6.429 -14.081 1.00 21.25 H new ATOM 0 HB3 ASP A 70 7.132 -4.836 -13.356 1.00 21.25 H new ATOM 1169 N PHE A 71 7.916 -5.825 -10.070 1.00 33.02 N ATOM 1170 CA PHE A 71 8.204 -5.155 -8.806 1.00 35.55 C ATOM 1171 C PHE A 71 9.582 -4.502 -8.839 1.00 24.14 C ATOM 1172 O PHE A 71 10.499 -5.038 -9.458 1.00 61.42 O ATOM 1173 CB PHE A 71 8.148 -6.159 -7.626 1.00 52.25 C ATOM 1174 CG PHE A 71 9.175 -7.275 -7.672 1.00 21.10 C ATOM 1175 CD1 PHE A 71 8.974 -8.394 -8.461 1.00 12.23 C ATOM 1176 CD2 PHE A 71 10.334 -7.198 -6.914 1.00 31.54 C ATOM 1177 CE1 PHE A 71 9.906 -9.411 -8.498 1.00 1.44 C ATOM 1178 CE2 PHE A 71 11.270 -8.209 -6.948 1.00 74.10 C ATOM 1179 CZ PHE A 71 11.056 -9.318 -7.740 1.00 25.42 C ATOM 0 H PHE A 71 8.667 -6.428 -10.405 1.00 33.02 H new ATOM 0 HA PHE A 71 7.445 -4.386 -8.662 1.00 35.55 H new ATOM 0 HB2 PHE A 71 8.278 -5.607 -6.695 1.00 52.25 H new ATOM 0 HB3 PHE A 71 7.154 -6.604 -7.597 1.00 52.25 H new ATOM 0 HD1 PHE A 71 8.076 -8.472 -9.056 1.00 12.23 H new ATOM 0 HD2 PHE A 71 10.505 -6.334 -6.289 1.00 31.54 H new ATOM 0 HE1 PHE A 71 9.736 -10.278 -9.119 1.00 1.44 H new ATOM 0 HE2 PHE A 71 12.170 -8.133 -6.355 1.00 74.10 H new ATOM 0 HZ PHE A 71 11.787 -10.112 -7.767 1.00 25.42 H new ATOM 1189 N PRO A 72 9.747 -3.320 -8.219 1.00 31.22 N ATOM 1190 CA PRO A 72 11.060 -2.702 -8.069 1.00 45.40 C ATOM 1191 C PRO A 72 11.931 -3.538 -7.126 1.00 72.33 C ATOM 1192 O PRO A 72 11.477 -3.956 -6.044 1.00 35.13 O ATOM 1193 CB PRO A 72 10.759 -1.330 -7.438 1.00 43.55 C ATOM 1194 CG PRO A 72 9.305 -1.115 -7.660 1.00 10.54 C ATOM 1195 CD PRO A 72 8.687 -2.481 -7.646 1.00 74.43 C ATOM 0 HA PRO A 72 11.599 -2.622 -9.013 1.00 45.40 H new ATOM 0 HB2 PRO A 72 11.001 -1.323 -6.375 1.00 43.55 H new ATOM 0 HB3 PRO A 72 11.350 -0.542 -7.905 1.00 43.55 H new ATOM 0 HG2 PRO A 72 8.879 -0.484 -6.880 1.00 10.54 H new ATOM 0 HG3 PRO A 72 9.124 -0.613 -8.610 1.00 10.54 H new ATOM 0 HD2 PRO A 72 8.423 -2.796 -6.636 1.00 74.43 H new ATOM 0 HD3 PRO A 72 7.774 -2.519 -8.241 1.00 74.43 H new ATOM 1203 N SER A 73 13.144 -3.783 -7.526 1.00 22.12 N ATOM 1204 CA SER A 73 14.060 -4.587 -6.751 1.00 54.23 C ATOM 1205 C SER A 73 14.928 -3.648 -5.885 1.00 40.41 C ATOM 1206 O SER A 73 14.529 -2.506 -5.618 1.00 40.04 O ATOM 1207 CB SER A 73 14.911 -5.433 -7.723 1.00 43.14 C ATOM 1208 OG SER A 73 15.781 -6.340 -7.037 1.00 23.24 O ATOM 0 H SER A 73 13.533 -3.432 -8.401 1.00 22.12 H new ATOM 0 HA SER A 73 13.532 -5.267 -6.083 1.00 54.23 H new ATOM 0 HB2 SER A 73 14.252 -5.996 -8.384 1.00 43.14 H new ATOM 0 HB3 SER A 73 15.504 -4.771 -8.353 1.00 43.14 H new ATOM 0 HG SER A 73 16.298 -6.855 -7.691 1.00 23.24 H new ATOM 1214 N LYS A 74 16.078 -4.119 -5.428 1.00 22.21 N ATOM 1215 CA LYS A 74 16.952 -3.297 -4.613 1.00 52.33 C ATOM 1216 C LYS A 74 17.550 -2.163 -5.428 1.00 74.00 C ATOM 1217 O LYS A 74 17.856 -1.094 -4.892 1.00 63.41 O ATOM 1218 CB LYS A 74 18.062 -4.107 -3.933 1.00 63.10 C ATOM 1219 CG LYS A 74 19.012 -4.832 -4.882 1.00 31.52 C ATOM 1220 CD LYS A 74 20.171 -5.470 -4.124 1.00 21.23 C ATOM 1221 CE LYS A 74 21.048 -4.413 -3.441 1.00 30.41 C ATOM 1222 NZ LYS A 74 22.167 -5.016 -2.688 1.00 24.13 N ATOM 0 H LYS A 74 16.425 -5.061 -5.608 1.00 22.21 H new ATOM 0 HA LYS A 74 16.330 -2.876 -3.823 1.00 52.33 H new ATOM 0 HB2 LYS A 74 18.646 -3.436 -3.303 1.00 63.10 H new ATOM 0 HB3 LYS A 74 17.601 -4.843 -3.274 1.00 63.10 H new ATOM 0 HG2 LYS A 74 18.466 -5.600 -5.430 1.00 31.52 H new ATOM 0 HG3 LYS A 74 19.400 -4.129 -5.619 1.00 31.52 H new ATOM 0 HD2 LYS A 74 19.781 -6.160 -3.375 1.00 21.23 H new ATOM 0 HD3 LYS A 74 20.778 -6.057 -4.813 1.00 21.23 H new ATOM 0 HE2 LYS A 74 21.445 -3.731 -4.194 1.00 30.41 H new ATOM 0 HE3 LYS A 74 20.435 -3.818 -2.763 1.00 30.41 H new ATOM 0 HZ1 LYS A 74 22.732 -4.264 -2.244 1.00 24.13 H new ATOM 0 HZ2 LYS A 74 21.790 -5.647 -1.952 1.00 24.13 H new ATOM 0 HZ3 LYS A 74 22.768 -5.562 -3.338 1.00 24.13 H new ATOM 1236 N ARG A 75 17.720 -2.391 -6.720 1.00 71.13 N ATOM 1237 CA ARG A 75 18.205 -1.358 -7.593 1.00 14.25 C ATOM 1238 C ARG A 75 17.043 -0.451 -7.942 1.00 22.05 C ATOM 1239 O ARG A 75 16.134 -0.848 -8.659 1.00 4.33 O ATOM 1240 CB ARG A 75 18.788 -1.960 -8.878 1.00 45.24 C ATOM 1241 CG ARG A 75 19.329 -0.925 -9.850 1.00 63.14 C ATOM 1242 CD ARG A 75 19.751 -1.550 -11.172 1.00 34.52 C ATOM 1243 NE ARG A 75 20.813 -2.558 -11.027 1.00 53.10 N ATOM 1244 CZ ARG A 75 21.269 -3.317 -12.033 1.00 65.22 C ATOM 1245 NH1 ARG A 75 20.759 -3.187 -13.251 1.00 25.31 N ATOM 1246 NH2 ARG A 75 22.233 -4.198 -11.817 1.00 33.00 N ATOM 0 H ARG A 75 17.528 -3.282 -7.178 1.00 71.13 H new ATOM 0 HA ARG A 75 18.995 -0.799 -7.091 1.00 14.25 H new ATOM 0 HB2 ARG A 75 19.589 -2.650 -8.614 1.00 45.24 H new ATOM 0 HB3 ARG A 75 18.015 -2.545 -9.377 1.00 45.24 H new ATOM 0 HG2 ARG A 75 18.567 -0.167 -10.034 1.00 63.14 H new ATOM 0 HG3 ARG A 75 20.182 -0.417 -9.401 1.00 63.14 H new ATOM 0 HD2 ARG A 75 18.882 -2.012 -11.641 1.00 34.52 H new ATOM 0 HD3 ARG A 75 20.095 -0.764 -11.844 1.00 34.52 H new ATOM 0 HE ARG A 75 21.228 -2.687 -10.104 1.00 53.10 H new ATOM 0 HH11 ARG A 75 20.018 -2.508 -13.424 1.00 25.31 H new ATOM 0 HH12 ARG A 75 21.108 -3.766 -14.015 1.00 25.31 H new ATOM 0 HH21 ARG A 75 22.630 -4.300 -10.883 1.00 33.00 H new ATOM 0 HH22 ARG A 75 22.578 -4.775 -12.584 1.00 33.00 H new ATOM 1260 N LEU A 76 17.058 0.730 -7.421 1.00 31.35 N ATOM 1261 CA LEU A 76 16.020 1.688 -7.694 1.00 52.41 C ATOM 1262 C LEU A 76 16.562 2.766 -8.610 1.00 60.33 C ATOM 1263 O LEU A 76 17.790 2.923 -8.721 1.00 61.02 O ATOM 1264 CB LEU A 76 15.513 2.330 -6.385 1.00 4.24 C ATOM 1265 CG LEU A 76 14.873 1.397 -5.354 1.00 65.31 C ATOM 1266 CD1 LEU A 76 14.425 2.189 -4.129 1.00 31.11 C ATOM 1267 CD2 LEU A 76 13.696 0.648 -5.966 1.00 65.42 C ATOM 0 H LEU A 76 17.787 1.066 -6.792 1.00 31.35 H new ATOM 0 HA LEU A 76 15.187 1.176 -8.175 1.00 52.41 H new ATOM 0 HB2 LEU A 76 16.353 2.836 -5.909 1.00 4.24 H new ATOM 0 HB3 LEU A 76 14.784 3.098 -6.645 1.00 4.24 H new ATOM 0 HG LEU A 76 15.618 0.665 -5.041 1.00 65.31 H new ATOM 0 HD11 LEU A 76 13.972 1.513 -3.404 1.00 31.11 H new ATOM 0 HD12 LEU A 76 15.287 2.680 -3.678 1.00 31.11 H new ATOM 0 HD13 LEU A 76 13.695 2.941 -4.429 1.00 31.11 H new ATOM 0 HD21 LEU A 76 13.255 -0.010 -5.217 1.00 65.42 H new ATOM 0 HD22 LEU A 76 12.947 1.363 -6.307 1.00 65.42 H new ATOM 0 HD23 LEU A 76 14.043 0.054 -6.812 1.00 65.42 H new ATOM 1279 N PRO A 77 15.683 3.501 -9.311 1.00 31.42 N ATOM 1280 CA PRO A 77 16.085 4.658 -10.113 1.00 24.44 C ATOM 1281 C PRO A 77 16.770 5.716 -9.229 1.00 10.42 C ATOM 1282 O PRO A 77 16.632 5.696 -7.995 1.00 42.52 O ATOM 1283 CB PRO A 77 14.759 5.200 -10.669 1.00 13.02 C ATOM 1284 CG PRO A 77 13.826 4.043 -10.618 1.00 40.15 C ATOM 1285 CD PRO A 77 14.227 3.248 -9.415 1.00 61.32 C ATOM 0 HA PRO A 77 16.798 4.401 -10.896 1.00 24.44 H new ATOM 0 HB2 PRO A 77 14.390 6.033 -10.071 1.00 13.02 H new ATOM 0 HB3 PRO A 77 14.878 5.568 -11.688 1.00 13.02 H new ATOM 0 HG2 PRO A 77 12.792 4.378 -10.538 1.00 40.15 H new ATOM 0 HG3 PRO A 77 13.898 3.443 -11.525 1.00 40.15 H new ATOM 0 HD2 PRO A 77 13.697 3.576 -8.521 1.00 61.32 H new ATOM 0 HD3 PRO A 77 14.011 2.187 -9.543 1.00 61.32 H new ATOM 1293 N ASN A 78 17.491 6.623 -9.839 1.00 34.15 N ATOM 1294 CA ASN A 78 18.248 7.678 -9.120 1.00 62.52 C ATOM 1295 C ASN A 78 17.344 8.739 -8.488 1.00 4.21 C ATOM 1296 O ASN A 78 17.808 9.824 -8.145 1.00 73.32 O ATOM 1297 CB ASN A 78 19.273 8.359 -10.036 1.00 3.22 C ATOM 1298 CG ASN A 78 20.344 7.424 -10.541 1.00 45.20 C ATOM 1299 OD1 ASN A 78 20.700 6.444 -9.884 1.00 1.30 O ATOM 1300 ND2 ASN A 78 20.876 7.722 -11.694 1.00 71.41 N ATOM 0 H ASN A 78 17.585 6.671 -10.854 1.00 34.15 H new ATOM 0 HA ASN A 78 18.770 7.163 -8.313 1.00 62.52 H new ATOM 0 HB2 ASN A 78 18.753 8.797 -10.888 1.00 3.22 H new ATOM 0 HB3 ASN A 78 19.744 9.179 -9.494 1.00 3.22 H new ATOM 0 HD21 ASN A 78 21.614 7.135 -12.082 1.00 71.41 H new ATOM 0 HD22 ASN A 78 20.554 8.542 -12.208 1.00 71.41 H new ATOM 1307 N TRP A 79 16.071 8.405 -8.284 1.00 12.42 N ATOM 1308 CA TRP A 79 15.077 9.323 -7.725 1.00 12.43 C ATOM 1309 C TRP A 79 15.462 9.836 -6.344 1.00 51.11 C ATOM 1310 O TRP A 79 14.907 10.815 -5.881 1.00 40.51 O ATOM 1311 CB TRP A 79 13.677 8.665 -7.641 1.00 22.25 C ATOM 1312 CG TRP A 79 13.578 7.442 -6.732 1.00 43.22 C ATOM 1313 CD1 TRP A 79 13.571 6.135 -7.117 1.00 41.34 C ATOM 1314 CD2 TRP A 79 13.470 7.427 -5.289 1.00 73.34 C ATOM 1315 NE1 TRP A 79 13.475 5.318 -6.015 1.00 71.43 N ATOM 1316 CE2 TRP A 79 13.416 6.087 -4.887 1.00 41.12 C ATOM 1317 CE3 TRP A 79 13.420 8.423 -4.302 1.00 43.53 C ATOM 1318 CZ2 TRP A 79 13.319 5.721 -3.553 1.00 25.11 C ATOM 1319 CZ3 TRP A 79 13.326 8.054 -2.991 1.00 31.43 C ATOM 1320 CH2 TRP A 79 13.278 6.720 -2.627 1.00 44.43 C ATOM 0 H TRP A 79 15.696 7.482 -8.503 1.00 12.42 H new ATOM 0 HA TRP A 79 15.044 10.169 -8.411 1.00 12.43 H new ATOM 0 HB2 TRP A 79 12.964 9.413 -7.294 1.00 22.25 H new ATOM 0 HB3 TRP A 79 13.370 8.375 -8.646 1.00 22.25 H new ATOM 0 HD1 TRP A 79 13.632 5.791 -8.139 1.00 41.34 H new ATOM 0 HE1 TRP A 79 13.452 4.298 -6.036 1.00 71.43 H new ATOM 0 HE3 TRP A 79 13.455 9.467 -4.576 1.00 43.53 H new ATOM 0 HZ2 TRP A 79 13.277 4.683 -3.259 1.00 25.11 H new ATOM 0 HZ3 TRP A 79 13.289 8.815 -2.226 1.00 31.43 H new ATOM 0 HH2 TRP A 79 13.206 6.463 -1.580 1.00 44.43 H new ATOM 1331 N ARG A 80 16.415 9.165 -5.693 1.00 21.54 N ATOM 1332 CA ARG A 80 16.824 9.508 -4.329 1.00 23.10 C ATOM 1333 C ARG A 80 17.351 10.945 -4.245 1.00 75.11 C ATOM 1334 O ARG A 80 17.234 11.593 -3.206 1.00 41.32 O ATOM 1335 CB ARG A 80 17.863 8.509 -3.779 1.00 5.04 C ATOM 1336 CG ARG A 80 17.410 7.048 -3.817 1.00 24.44 C ATOM 1337 CD ARG A 80 18.407 6.124 -3.120 1.00 14.43 C ATOM 1338 NE ARG A 80 18.070 4.698 -3.313 1.00 13.25 N ATOM 1339 CZ ARG A 80 17.923 3.775 -2.341 1.00 43.13 C ATOM 1340 NH1 ARG A 80 17.969 4.121 -1.056 1.00 15.21 N ATOM 1341 NH2 ARG A 80 17.727 2.508 -2.671 1.00 45.30 N ATOM 0 H ARG A 80 16.921 8.375 -6.093 1.00 21.54 H new ATOM 0 HA ARG A 80 15.935 9.441 -3.702 1.00 23.10 H new ATOM 0 HB2 ARG A 80 18.784 8.607 -4.353 1.00 5.04 H new ATOM 0 HB3 ARG A 80 18.099 8.778 -2.749 1.00 5.04 H new ATOM 0 HG2 ARG A 80 16.435 6.958 -3.338 1.00 24.44 H new ATOM 0 HG3 ARG A 80 17.286 6.733 -4.853 1.00 24.44 H new ATOM 0 HD2 ARG A 80 19.409 6.315 -3.505 1.00 14.43 H new ATOM 0 HD3 ARG A 80 18.427 6.351 -2.054 1.00 14.43 H new ATOM 0 HE ARG A 80 17.936 4.382 -4.273 1.00 13.25 H new ATOM 0 HH11 ARG A 80 18.117 5.096 -0.795 1.00 15.21 H new ATOM 0 HH12 ARG A 80 17.856 3.411 -0.332 1.00 15.21 H new ATOM 0 HH21 ARG A 80 17.688 2.237 -3.654 1.00 45.30 H new ATOM 0 HH22 ARG A 80 17.615 1.803 -1.943 1.00 45.30 H new ATOM 1355 N THR A 81 17.905 11.440 -5.342 1.00 41.24 N ATOM 1356 CA THR A 81 18.413 12.799 -5.394 1.00 3.02 C ATOM 1357 C THR A 81 17.318 13.778 -5.855 1.00 31.00 C ATOM 1358 O THR A 81 17.448 14.997 -5.724 1.00 72.40 O ATOM 1359 CB THR A 81 19.634 12.881 -6.328 1.00 41.02 C ATOM 1360 OG1 THR A 81 19.288 12.333 -7.610 1.00 25.13 O ATOM 1361 CG2 THR A 81 20.807 12.100 -5.748 1.00 30.44 C ATOM 0 H THR A 81 18.013 10.917 -6.211 1.00 41.24 H new ATOM 0 HA THR A 81 18.723 13.084 -4.389 1.00 3.02 H new ATOM 0 HB THR A 81 19.926 13.926 -6.433 1.00 41.02 H new ATOM 0 HG1 THR A 81 20.063 12.385 -8.208 1.00 25.13 H new ATOM 0 HG21 THR A 81 21.660 12.170 -6.423 1.00 30.44 H new ATOM 0 HG22 THR A 81 21.077 12.516 -4.777 1.00 30.44 H new ATOM 0 HG23 THR A 81 20.524 11.054 -5.628 1.00 30.44 H new ATOM 1369 N ARG A 82 16.237 13.226 -6.374 1.00 45.10 N ATOM 1370 CA ARG A 82 15.115 14.007 -6.848 1.00 53.43 C ATOM 1371 C ARG A 82 14.130 14.229 -5.711 1.00 12.11 C ATOM 1372 O ARG A 82 13.941 15.355 -5.250 1.00 13.35 O ATOM 1373 CB ARG A 82 14.415 13.293 -8.020 1.00 52.22 C ATOM 1374 CG ARG A 82 13.175 14.010 -8.533 1.00 31.21 C ATOM 1375 CD ARG A 82 12.519 13.247 -9.665 1.00 2.52 C ATOM 1376 NE ARG A 82 11.308 13.916 -10.143 1.00 44.23 N ATOM 1377 CZ ARG A 82 10.852 13.858 -11.405 1.00 64.22 C ATOM 1378 NH1 ARG A 82 11.504 13.140 -12.322 1.00 73.22 N ATOM 1379 NH2 ARG A 82 9.743 14.503 -11.739 1.00 64.45 N ATOM 0 H ARG A 82 16.114 12.219 -6.478 1.00 45.10 H new ATOM 0 HA ARG A 82 15.482 14.970 -7.202 1.00 53.43 H new ATOM 0 HB2 ARG A 82 15.124 13.184 -8.841 1.00 52.22 H new ATOM 0 HB3 ARG A 82 14.136 12.288 -7.704 1.00 52.22 H new ATOM 0 HG2 ARG A 82 12.463 14.136 -7.717 1.00 31.21 H new ATOM 0 HG3 ARG A 82 13.447 15.008 -8.876 1.00 31.21 H new ATOM 0 HD2 ARG A 82 13.225 13.141 -10.489 1.00 2.52 H new ATOM 0 HD3 ARG A 82 12.269 12.241 -9.328 1.00 2.52 H new ATOM 0 HE ARG A 82 10.773 14.465 -9.470 1.00 44.23 H new ATOM 0 HH11 ARG A 82 12.351 12.633 -12.065 1.00 73.22 H new ATOM 0 HH12 ARG A 82 11.155 13.098 -13.280 1.00 73.22 H new ATOM 0 HH21 ARG A 82 9.236 15.043 -11.038 1.00 64.45 H new ATOM 0 HH22 ARG A 82 9.396 14.459 -12.697 1.00 64.45 H new ATOM 1393 N GLY A 83 13.545 13.151 -5.244 1.00 50.20 N ATOM 1394 CA GLY A 83 12.572 13.223 -4.207 1.00 5.00 C ATOM 1395 C GLY A 83 11.685 12.003 -4.205 1.00 44.03 C ATOM 1396 O GLY A 83 11.863 11.091 -5.017 1.00 71.44 O ATOM 0 H GLY A 83 13.737 12.207 -5.579 1.00 50.20 H new ATOM 0 HA2 GLY A 83 13.071 13.314 -3.242 1.00 5.00 H new ATOM 0 HA3 GLY A 83 11.964 14.118 -4.337 1.00 5.00 H new ATOM 1400 N LEU A 84 10.718 12.007 -3.327 1.00 61.54 N ATOM 1401 CA LEU A 84 9.789 10.896 -3.118 1.00 63.23 C ATOM 1402 C LEU A 84 8.808 10.653 -4.246 1.00 63.25 C ATOM 1403 O LEU A 84 8.130 9.613 -4.261 1.00 54.42 O ATOM 1404 CB LEU A 84 9.107 10.902 -1.740 1.00 75.21 C ATOM 1405 CG LEU A 84 9.989 10.499 -0.543 1.00 60.41 C ATOM 1406 CD1 LEU A 84 10.617 9.129 -0.793 1.00 12.04 C ATOM 1407 CD2 LEU A 84 11.054 11.551 -0.232 1.00 13.14 C ATOM 0 H LEU A 84 10.538 12.801 -2.712 1.00 61.54 H new ATOM 0 HA LEU A 84 10.447 10.027 -3.130 1.00 63.23 H new ATOM 0 HB2 LEU A 84 8.716 11.903 -1.556 1.00 75.21 H new ATOM 0 HB3 LEU A 84 8.252 10.227 -1.778 1.00 75.21 H new ATOM 0 HG LEU A 84 9.350 10.436 0.338 1.00 60.41 H new ATOM 0 HD11 LEU A 84 11.239 8.853 0.059 1.00 12.04 H new ATOM 0 HD12 LEU A 84 9.830 8.386 -0.924 1.00 12.04 H new ATOM 0 HD13 LEU A 84 11.231 9.169 -1.693 1.00 12.04 H new ATOM 0 HD21 LEU A 84 11.651 11.224 0.619 1.00 13.14 H new ATOM 0 HD22 LEU A 84 11.700 11.682 -1.100 1.00 13.14 H new ATOM 0 HD23 LEU A 84 10.571 12.498 0.007 1.00 13.14 H new ATOM 1419 N GLU A 85 8.728 11.601 -5.170 1.00 64.35 N ATOM 1420 CA GLU A 85 7.773 11.566 -6.284 1.00 25.21 C ATOM 1421 C GLU A 85 7.822 10.220 -7.018 1.00 61.32 C ATOM 1422 O GLU A 85 6.789 9.605 -7.277 1.00 64.50 O ATOM 1423 CB GLU A 85 8.153 12.635 -7.303 1.00 41.50 C ATOM 1424 CG GLU A 85 8.225 14.052 -6.791 1.00 12.44 C ATOM 1425 CD GLU A 85 8.619 14.998 -7.896 1.00 43.33 C ATOM 1426 OE1 GLU A 85 9.823 15.103 -8.192 1.00 24.45 O ATOM 1427 OE2 GLU A 85 7.730 15.635 -8.496 1.00 30.25 O ATOM 0 H GLU A 85 9.327 12.426 -5.173 1.00 64.35 H new ATOM 0 HA GLU A 85 6.778 11.729 -5.870 1.00 25.21 H new ATOM 0 HB2 GLU A 85 9.123 12.375 -7.726 1.00 41.50 H new ATOM 0 HB3 GLU A 85 7.430 12.602 -8.118 1.00 41.50 H new ATOM 0 HG2 GLU A 85 7.258 14.346 -6.382 1.00 12.44 H new ATOM 0 HG3 GLU A 85 8.948 14.114 -5.978 1.00 12.44 H new ATOM 1434 N GLN A 86 9.014 9.752 -7.314 1.00 73.51 N ATOM 1435 CA GLN A 86 9.161 8.523 -8.063 1.00 54.43 C ATOM 1436 C GLN A 86 8.913 7.293 -7.208 1.00 25.52 C ATOM 1437 O GLN A 86 8.440 6.267 -7.718 1.00 23.22 O ATOM 1438 CB GLN A 86 10.500 8.461 -8.764 1.00 50.20 C ATOM 1439 CG GLN A 86 10.712 9.611 -9.736 1.00 64.22 C ATOM 1440 CD GLN A 86 9.666 9.658 -10.844 1.00 64.02 C ATOM 1441 OE1 GLN A 86 9.196 8.511 -11.287 1.00 3.30 O flip ATOM 1442 NE2 GLN A 86 9.317 10.728 -11.332 1.00 62.33 N flip ATOM 0 H GLN A 86 9.891 10.200 -7.050 1.00 73.51 H new ATOM 0 HA GLN A 86 8.388 8.525 -8.832 1.00 54.43 H new ATOM 0 HB2 GLN A 86 11.295 8.470 -8.019 1.00 50.20 H new ATOM 0 HB3 GLN A 86 10.579 7.517 -9.303 1.00 50.20 H new ATOM 0 HG2 GLN A 86 10.693 10.552 -9.186 1.00 64.22 H new ATOM 0 HG3 GLN A 86 11.702 9.523 -10.183 1.00 64.22 H new ATOM 0 HE21 GLN A 86 9.697 11.602 -10.969 1.00 62.33 H new ATOM 0 HE22 GLN A 86 8.647 10.743 -12.101 1.00 62.33 H new ATOM 1451 N ARG A 87 9.215 7.383 -5.908 1.00 31.40 N ATOM 1452 CA ARG A 87 8.929 6.279 -5.009 1.00 24.24 C ATOM 1453 C ARG A 87 7.428 6.062 -4.939 1.00 33.34 C ATOM 1454 O ARG A 87 6.943 4.968 -5.178 1.00 45.22 O ATOM 1455 CB ARG A 87 9.503 6.491 -3.581 1.00 62.22 C ATOM 1456 CG ARG A 87 9.063 5.388 -2.600 1.00 52.42 C ATOM 1457 CD ARG A 87 9.600 5.568 -1.177 1.00 51.13 C ATOM 1458 NE ARG A 87 11.041 5.354 -1.044 1.00 70.23 N ATOM 1459 CZ ARG A 87 11.681 5.049 0.120 1.00 54.15 C ATOM 1460 NH1 ARG A 87 10.995 4.943 1.264 1.00 2.32 N ATOM 1461 NH2 ARG A 87 12.996 4.844 0.130 1.00 53.54 N ATOM 0 H ARG A 87 9.649 8.195 -5.469 1.00 31.40 H new ATOM 0 HA ARG A 87 9.423 5.396 -5.414 1.00 24.24 H new ATOM 0 HB2 ARG A 87 10.592 6.516 -3.630 1.00 62.22 H new ATOM 0 HB3 ARG A 87 9.179 7.460 -3.202 1.00 62.22 H new ATOM 0 HG2 ARG A 87 7.974 5.360 -2.565 1.00 52.42 H new ATOM 0 HG3 ARG A 87 9.394 4.423 -2.983 1.00 52.42 H new ATOM 0 HD2 ARG A 87 9.362 6.576 -0.836 1.00 51.13 H new ATOM 0 HD3 ARG A 87 9.079 4.876 -0.515 1.00 51.13 H new ATOM 0 HE ARG A 87 11.610 5.440 -1.886 1.00 70.23 H new ATOM 0 HH11 ARG A 87 9.986 5.091 1.269 1.00 2.32 H new ATOM 0 HH12 ARG A 87 11.481 4.714 2.131 1.00 2.32 H new ATOM 0 HH21 ARG A 87 13.530 4.915 -0.736 1.00 53.54 H new ATOM 0 HH22 ARG A 87 13.470 4.616 1.004 1.00 53.54 H new ATOM 1475 N ARG A 88 6.695 7.121 -4.633 1.00 25.22 N ATOM 1476 CA ARG A 88 5.257 7.031 -4.527 1.00 14.51 C ATOM 1477 C ARG A 88 4.642 6.572 -5.874 1.00 73.01 C ATOM 1478 O ARG A 88 3.800 5.721 -5.895 1.00 75.34 O ATOM 1479 CB ARG A 88 4.626 8.388 -3.993 1.00 54.20 C ATOM 1480 CG ARG A 88 4.463 9.544 -5.003 1.00 10.40 C ATOM 1481 CD ARG A 88 3.213 9.345 -5.870 1.00 62.13 C ATOM 1482 NE ARG A 88 3.138 10.270 -6.996 1.00 44.02 N ATOM 1483 CZ ARG A 88 2.294 10.124 -8.030 1.00 55.03 C ATOM 1484 NH1 ARG A 88 1.367 9.169 -8.015 1.00 21.55 N ATOM 1485 NH2 ARG A 88 2.360 10.946 -9.058 1.00 13.40 N ATOM 0 H ARG A 88 7.077 8.050 -4.455 1.00 25.22 H new ATOM 0 HA ARG A 88 5.010 6.272 -3.785 1.00 14.51 H new ATOM 0 HB2 ARG A 88 3.643 8.162 -3.579 1.00 54.20 H new ATOM 0 HB3 ARG A 88 5.244 8.745 -3.170 1.00 54.20 H new ATOM 0 HG2 ARG A 88 4.392 10.491 -4.468 1.00 10.40 H new ATOM 0 HG3 ARG A 88 5.346 9.603 -5.640 1.00 10.40 H new ATOM 0 HD2 ARG A 88 3.200 8.322 -6.247 1.00 62.13 H new ATOM 0 HD3 ARG A 88 2.326 9.467 -5.249 1.00 62.13 H new ATOM 0 HE ARG A 88 3.764 11.075 -6.998 1.00 44.02 H new ATOM 0 HH11 ARG A 88 1.294 8.542 -7.214 1.00 21.55 H new ATOM 0 HH12 ARG A 88 0.730 9.065 -8.804 1.00 21.55 H new ATOM 0 HH21 ARG A 88 3.053 11.694 -9.069 1.00 13.40 H new ATOM 0 HH22 ARG A 88 1.718 10.834 -9.843 1.00 13.40 H new ATOM 1499 N GLN A 89 5.132 7.114 -6.990 1.00 55.30 N ATOM 1500 CA GLN A 89 4.554 6.818 -8.305 1.00 22.50 C ATOM 1501 C GLN A 89 4.778 5.367 -8.731 1.00 30.21 C ATOM 1502 O GLN A 89 3.850 4.702 -9.201 1.00 61.11 O ATOM 1503 CB GLN A 89 5.091 7.774 -9.369 1.00 31.01 C ATOM 1504 CG GLN A 89 4.479 7.567 -10.750 1.00 62.21 C ATOM 1505 CD GLN A 89 5.016 8.532 -11.778 1.00 3.32 C ATOM 1506 OE1 GLN A 89 5.399 9.657 -11.454 1.00 51.13 O ATOM 1507 NE2 GLN A 89 5.042 8.118 -13.013 1.00 2.04 N ATOM 0 H GLN A 89 5.923 7.757 -7.012 1.00 55.30 H new ATOM 0 HA GLN A 89 3.478 6.965 -8.210 1.00 22.50 H new ATOM 0 HB2 GLN A 89 4.905 8.799 -9.050 1.00 31.01 H new ATOM 0 HB3 GLN A 89 6.172 7.654 -9.440 1.00 31.01 H new ATOM 0 HG2 GLN A 89 4.674 6.546 -11.080 1.00 62.21 H new ATOM 0 HG3 GLN A 89 3.397 7.679 -10.683 1.00 62.21 H new ATOM 0 HE21 GLN A 89 4.716 7.179 -13.243 1.00 2.04 H new ATOM 0 HE22 GLN A 89 5.388 8.733 -13.750 1.00 2.04 H new ATOM 1516 N GLY A 90 6.000 4.880 -8.565 1.00 53.44 N ATOM 1517 CA GLY A 90 6.318 3.523 -8.977 1.00 5.23 C ATOM 1518 C GLY A 90 5.500 2.496 -8.229 1.00 54.41 C ATOM 1519 O GLY A 90 4.833 1.639 -8.835 1.00 14.33 O ATOM 0 H GLY A 90 6.777 5.397 -8.154 1.00 53.44 H new ATOM 0 HA2 GLY A 90 6.140 3.418 -10.047 1.00 5.23 H new ATOM 0 HA3 GLY A 90 7.378 3.333 -8.810 1.00 5.23 H new ATOM 1523 N LEU A 91 5.501 2.610 -6.926 1.00 12.34 N ATOM 1524 CA LEU A 91 4.794 1.670 -6.091 1.00 15.23 C ATOM 1525 C LEU A 91 3.288 1.822 -6.234 1.00 52.43 C ATOM 1526 O LEU A 91 2.564 0.831 -6.216 1.00 42.10 O ATOM 1527 CB LEU A 91 5.244 1.749 -4.615 1.00 3.42 C ATOM 1528 CG LEU A 91 6.688 1.268 -4.266 1.00 12.15 C ATOM 1529 CD1 LEU A 91 6.898 -0.182 -4.618 1.00 15.50 C ATOM 1530 CD2 LEU A 91 7.755 2.114 -4.914 1.00 74.51 C ATOM 0 H LEU A 91 5.986 3.349 -6.417 1.00 12.34 H new ATOM 0 HA LEU A 91 5.054 0.671 -6.442 1.00 15.23 H new ATOM 0 HB2 LEU A 91 5.149 2.785 -4.291 1.00 3.42 H new ATOM 0 HB3 LEU A 91 4.543 1.164 -4.020 1.00 3.42 H new ATOM 0 HG LEU A 91 6.783 1.382 -3.186 1.00 12.15 H new ATOM 0 HD11 LEU A 91 7.915 -0.476 -4.359 1.00 15.50 H new ATOM 0 HD12 LEU A 91 6.190 -0.797 -4.063 1.00 15.50 H new ATOM 0 HD13 LEU A 91 6.741 -0.323 -5.687 1.00 15.50 H new ATOM 0 HD21 LEU A 91 8.738 1.734 -4.637 1.00 74.51 H new ATOM 0 HD22 LEU A 91 7.643 2.074 -5.997 1.00 74.51 H new ATOM 0 HD23 LEU A 91 7.656 3.146 -4.577 1.00 74.51 H new ATOM 1542 N GLU A 92 2.822 3.063 -6.421 1.00 21.23 N ATOM 1543 CA GLU A 92 1.396 3.332 -6.603 1.00 73.45 C ATOM 1544 C GLU A 92 0.912 2.606 -7.832 1.00 43.11 C ATOM 1545 O GLU A 92 -0.116 1.942 -7.800 1.00 11.43 O ATOM 1546 CB GLU A 92 1.144 4.832 -6.771 1.00 32.50 C ATOM 1547 CG GLU A 92 -0.316 5.233 -6.833 1.00 64.32 C ATOM 1548 CD GLU A 92 -0.485 6.718 -7.027 1.00 25.43 C ATOM 1549 OE1 GLU A 92 -0.231 7.488 -6.078 1.00 74.01 O ATOM 1550 OE2 GLU A 92 -0.884 7.143 -8.134 1.00 44.03 O ATOM 0 H GLU A 92 3.413 3.894 -6.450 1.00 21.23 H new ATOM 0 HA GLU A 92 0.857 2.986 -5.721 1.00 73.45 H new ATOM 0 HB2 GLU A 92 1.615 5.359 -5.942 1.00 32.50 H new ATOM 0 HB3 GLU A 92 1.637 5.168 -7.683 1.00 32.50 H new ATOM 0 HG2 GLU A 92 -0.803 4.703 -7.651 1.00 64.32 H new ATOM 0 HG3 GLU A 92 -0.815 4.928 -5.913 1.00 64.32 H new ATOM 1557 N ALA A 93 1.698 2.702 -8.901 1.00 5.14 N ATOM 1558 CA ALA A 93 1.379 2.082 -10.170 1.00 42.14 C ATOM 1559 C ALA A 93 1.188 0.584 -10.025 1.00 51.12 C ATOM 1560 O ALA A 93 0.273 0.007 -10.622 1.00 71.23 O ATOM 1561 CB ALA A 93 2.453 2.386 -11.204 1.00 34.13 C ATOM 0 H ALA A 93 2.578 3.217 -8.904 1.00 5.14 H new ATOM 0 HA ALA A 93 0.436 2.506 -10.515 1.00 42.14 H new ATOM 0 HB1 ALA A 93 2.193 1.910 -12.150 1.00 34.13 H new ATOM 0 HB2 ALA A 93 2.525 3.464 -11.348 1.00 34.13 H new ATOM 0 HB3 ALA A 93 3.412 2.002 -10.856 1.00 34.13 H new ATOM 1567 N TYR A 94 2.027 -0.044 -9.226 1.00 71.24 N ATOM 1568 CA TYR A 94 1.907 -1.474 -9.022 1.00 41.15 C ATOM 1569 C TYR A 94 0.779 -1.847 -8.060 1.00 73.31 C ATOM 1570 O TYR A 94 0.101 -2.856 -8.275 1.00 74.02 O ATOM 1571 CB TYR A 94 3.234 -2.114 -8.622 1.00 70.22 C ATOM 1572 CG TYR A 94 4.301 -1.957 -9.677 1.00 62.43 C ATOM 1573 CD1 TYR A 94 4.094 -2.431 -10.965 1.00 75.12 C ATOM 1574 CD2 TYR A 94 5.497 -1.319 -9.401 1.00 12.32 C ATOM 1575 CE1 TYR A 94 5.054 -2.280 -11.947 1.00 5.44 C ATOM 1576 CE2 TYR A 94 6.464 -1.160 -10.377 1.00 60.20 C ATOM 1577 CZ TYR A 94 6.236 -1.644 -11.647 1.00 43.53 C ATOM 1578 OH TYR A 94 7.195 -1.488 -12.622 1.00 21.34 O ATOM 0 H TYR A 94 2.788 0.404 -8.715 1.00 71.24 H new ATOM 0 HA TYR A 94 1.631 -1.891 -9.990 1.00 41.15 H new ATOM 0 HB2 TYR A 94 3.582 -1.667 -7.691 1.00 70.22 H new ATOM 0 HB3 TYR A 94 3.076 -3.175 -8.427 1.00 70.22 H new ATOM 0 HD1 TYR A 94 3.165 -2.927 -11.204 1.00 75.12 H new ATOM 0 HD2 TYR A 94 5.679 -0.939 -8.407 1.00 12.32 H new ATOM 0 HE1 TYR A 94 4.878 -2.659 -12.943 1.00 5.44 H new ATOM 0 HE2 TYR A 94 7.392 -0.659 -10.145 1.00 60.20 H new ATOM 0 HH TYR A 94 7.969 -1.018 -12.247 1.00 21.34 H new ATOM 1588 N ILE A 95 0.561 -1.041 -7.020 1.00 64.21 N ATOM 1589 CA ILE A 95 -0.515 -1.318 -6.058 1.00 52.32 C ATOM 1590 C ILE A 95 -1.896 -1.090 -6.722 1.00 34.03 C ATOM 1591 O ILE A 95 -2.807 -1.918 -6.606 1.00 21.13 O ATOM 1592 CB ILE A 95 -0.395 -0.452 -4.750 1.00 31.43 C ATOM 1593 CG1 ILE A 95 0.959 -0.681 -4.022 1.00 40.42 C ATOM 1594 CG2 ILE A 95 -1.550 -0.754 -3.795 1.00 75.35 C ATOM 1595 CD1 ILE A 95 1.183 -2.092 -3.472 1.00 0.00 C ATOM 0 H ILE A 95 1.105 -0.201 -6.821 1.00 64.21 H new ATOM 0 HA ILE A 95 -0.417 -2.362 -5.761 1.00 52.32 H new ATOM 0 HB ILE A 95 -0.441 0.593 -5.056 1.00 31.43 H new ATOM 0 HG12 ILE A 95 1.768 -0.448 -4.715 1.00 40.42 H new ATOM 0 HG13 ILE A 95 1.032 0.027 -3.197 1.00 40.42 H new ATOM 0 HG21 ILE A 95 -1.448 -0.145 -2.897 1.00 75.35 H new ATOM 0 HG22 ILE A 95 -2.496 -0.524 -4.284 1.00 75.35 H new ATOM 0 HG23 ILE A 95 -1.530 -1.809 -3.522 1.00 75.35 H new ATOM 0 HD11 ILE A 95 2.157 -2.142 -2.984 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.402 -2.329 -2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 95 1.150 -2.811 -4.290 1.00 0.00 H new ATOM 1607 N GLN A 96 -2.041 0.020 -7.448 1.00 2.02 N ATOM 1608 CA GLN A 96 -3.303 0.291 -8.124 1.00 24.33 C ATOM 1609 C GLN A 96 -3.501 -0.683 -9.272 1.00 64.33 C ATOM 1610 O GLN A 96 -4.633 -1.042 -9.615 1.00 72.41 O ATOM 1611 CB GLN A 96 -3.493 1.803 -8.509 1.00 55.42 C ATOM 1612 CG GLN A 96 -2.562 2.428 -9.563 1.00 1.54 C ATOM 1613 CD GLN A 96 -2.823 1.976 -10.985 1.00 3.41 C ATOM 1614 OE1 GLN A 96 -1.824 2.030 -11.803 1.00 32.31 O flip ATOM 1615 NE2 GLN A 96 -3.941 1.637 -11.346 1.00 1.20 N flip ATOM 0 H GLN A 96 -1.318 0.728 -7.579 1.00 2.02 H new ATOM 0 HA GLN A 96 -4.113 0.114 -7.417 1.00 24.33 H new ATOM 0 HB2 GLN A 96 -4.517 1.927 -8.860 1.00 55.42 H new ATOM 0 HB3 GLN A 96 -3.396 2.390 -7.595 1.00 55.42 H new ATOM 0 HG2 GLN A 96 -2.660 3.513 -9.517 1.00 1.54 H new ATOM 0 HG3 GLN A 96 -1.530 2.190 -9.304 1.00 1.54 H new ATOM 0 HE21 GLN A 96 -4.707 1.606 -10.673 1.00 1.20 H new ATOM 0 HE22 GLN A 96 -4.108 1.385 -12.320 1.00 1.20 H new ATOM 1624 N GLY A 97 -2.374 -1.127 -9.842 1.00 12.41 N ATOM 1625 CA GLY A 97 -2.392 -2.101 -10.901 1.00 4.42 C ATOM 1626 C GLY A 97 -3.064 -3.376 -10.472 1.00 74.24 C ATOM 1627 O GLY A 97 -4.041 -3.779 -11.076 1.00 50.50 O ATOM 0 H GLY A 97 -1.441 -0.815 -9.574 1.00 12.41 H new ATOM 0 HA2 GLY A 97 -2.912 -1.689 -11.766 1.00 4.42 H new ATOM 0 HA3 GLY A 97 -1.371 -2.316 -11.215 1.00 4.42 H new ATOM 1631 N ILE A 98 -2.565 -3.994 -9.393 1.00 3.31 N ATOM 1632 CA ILE A 98 -3.155 -5.243 -8.875 1.00 52.42 C ATOM 1633 C ILE A 98 -4.608 -5.093 -8.510 1.00 23.11 C ATOM 1634 O ILE A 98 -5.407 -6.048 -8.667 1.00 1.04 O ATOM 1635 CB ILE A 98 -2.354 -5.874 -7.712 1.00 34.44 C ATOM 1636 CG1 ILE A 98 -1.980 -4.840 -6.640 1.00 42.40 C ATOM 1637 CG2 ILE A 98 -1.161 -6.617 -8.226 1.00 11.31 C ATOM 1638 CD1 ILE A 98 -1.128 -5.381 -5.510 1.00 31.11 C ATOM 0 H ILE A 98 -1.761 -3.656 -8.863 1.00 3.31 H new ATOM 0 HA ILE A 98 -3.094 -5.941 -9.710 1.00 52.42 H new ATOM 0 HB ILE A 98 -3.002 -6.599 -7.220 1.00 34.44 H new ATOM 0 HG12 ILE A 98 -1.447 -4.018 -7.118 1.00 42.40 H new ATOM 0 HG13 ILE A 98 -2.896 -4.425 -6.220 1.00 42.40 H new ATOM 0 HG21 ILE A 98 -0.614 -7.051 -7.389 1.00 11.31 H new ATOM 0 HG22 ILE A 98 -1.488 -7.411 -8.897 1.00 11.31 H new ATOM 0 HG23 ILE A 98 -0.510 -5.930 -8.767 1.00 11.31 H new ATOM 0 HD11 ILE A 98 -0.913 -4.581 -4.801 1.00 31.11 H new ATOM 0 HD12 ILE A 98 -1.664 -6.182 -5.002 1.00 31.11 H new ATOM 0 HD13 ILE A 98 -0.193 -5.769 -5.913 1.00 31.11 H new ATOM 1650 N LEU A 99 -4.973 -3.911 -8.052 1.00 24.33 N ATOM 1651 CA LEU A 99 -6.347 -3.639 -7.764 1.00 3.23 C ATOM 1652 C LEU A 99 -7.219 -3.715 -9.027 1.00 31.13 C ATOM 1653 O LEU A 99 -8.297 -4.340 -9.034 1.00 15.42 O ATOM 1654 CB LEU A 99 -6.532 -2.324 -6.967 1.00 72.44 C ATOM 1655 CG LEU A 99 -7.979 -1.811 -6.820 1.00 40.43 C ATOM 1656 CD1 LEU A 99 -8.181 -1.161 -5.478 1.00 1.13 C ATOM 1657 CD2 LEU A 99 -8.267 -0.787 -7.902 1.00 71.23 C ATOM 0 H LEU A 99 -4.334 -3.136 -7.876 1.00 24.33 H new ATOM 0 HA LEU A 99 -6.703 -4.430 -7.104 1.00 3.23 H new ATOM 0 HB2 LEU A 99 -6.117 -2.468 -5.969 1.00 72.44 H new ATOM 0 HB3 LEU A 99 -5.941 -1.546 -7.449 1.00 72.44 H new ATOM 0 HG LEU A 99 -8.654 -2.662 -6.912 1.00 40.43 H new ATOM 0 HD11 LEU A 99 -9.209 -0.807 -5.396 1.00 1.13 H new ATOM 0 HD12 LEU A 99 -7.984 -1.887 -4.689 1.00 1.13 H new ATOM 0 HD13 LEU A 99 -7.497 -0.318 -5.375 1.00 1.13 H new ATOM 0 HD21 LEU A 99 -9.290 -0.425 -7.797 1.00 71.23 H new ATOM 0 HD22 LEU A 99 -7.574 0.049 -7.805 1.00 71.23 H new ATOM 0 HD23 LEU A 99 -8.144 -1.249 -8.882 1.00 71.23 H new ATOM 1669 N TYR A 100 -6.740 -3.121 -10.084 1.00 24.14 N ATOM 1670 CA TYR A 100 -7.436 -3.117 -11.353 1.00 3.53 C ATOM 1671 C TYR A 100 -7.387 -4.511 -12.008 1.00 12.13 C ATOM 1672 O TYR A 100 -8.340 -4.931 -12.677 1.00 44.13 O ATOM 1673 CB TYR A 100 -6.808 -2.046 -12.268 1.00 31.01 C ATOM 1674 CG TYR A 100 -7.374 -1.975 -13.669 1.00 42.02 C ATOM 1675 CD1 TYR A 100 -8.604 -1.382 -13.921 1.00 14.21 C ATOM 1676 CD2 TYR A 100 -6.673 -2.503 -14.742 1.00 24.35 C ATOM 1677 CE1 TYR A 100 -9.113 -1.320 -15.202 1.00 43.12 C ATOM 1678 CE2 TYR A 100 -7.174 -2.442 -16.024 1.00 13.02 C ATOM 1679 CZ TYR A 100 -8.391 -1.853 -16.250 1.00 73.02 C ATOM 1680 OH TYR A 100 -8.893 -1.795 -17.540 1.00 42.05 O ATOM 0 H TYR A 100 -5.851 -2.621 -10.096 1.00 24.14 H new ATOM 0 HA TYR A 100 -8.486 -2.874 -11.191 1.00 3.53 H new ATOM 0 HB2 TYR A 100 -6.931 -1.072 -11.795 1.00 31.01 H new ATOM 0 HB3 TYR A 100 -5.737 -2.234 -12.337 1.00 31.01 H new ATOM 0 HD1 TYR A 100 -9.171 -0.963 -13.102 1.00 14.21 H new ATOM 0 HD2 TYR A 100 -5.715 -2.971 -14.570 1.00 24.35 H new ATOM 0 HE1 TYR A 100 -10.072 -0.857 -15.383 1.00 43.12 H new ATOM 0 HE2 TYR A 100 -6.611 -2.856 -16.847 1.00 13.02 H new ATOM 0 HH TYR A 100 -8.258 -2.215 -18.157 1.00 42.05 H new ATOM 1690 N LEU A 101 -6.300 -5.217 -11.769 1.00 62.22 N ATOM 1691 CA LEU A 101 -6.037 -6.519 -12.369 1.00 75.30 C ATOM 1692 C LEU A 101 -6.982 -7.630 -11.969 1.00 13.12 C ATOM 1693 O LEU A 101 -7.601 -8.250 -12.838 1.00 23.55 O ATOM 1694 CB LEU A 101 -4.624 -6.974 -12.072 1.00 65.41 C ATOM 1695 CG LEU A 101 -3.494 -6.171 -12.719 1.00 13.31 C ATOM 1696 CD1 LEU A 101 -2.154 -6.725 -12.304 1.00 13.12 C ATOM 1697 CD2 LEU A 101 -3.617 -6.191 -14.235 1.00 25.53 C ATOM 0 H LEU A 101 -5.560 -4.901 -11.143 1.00 62.22 H new ATOM 0 HA LEU A 101 -6.193 -6.346 -13.434 1.00 75.30 H new ATOM 0 HB2 LEU A 101 -4.480 -6.955 -10.992 1.00 65.41 H new ATOM 0 HB3 LEU A 101 -4.527 -8.013 -12.388 1.00 65.41 H new ATOM 0 HG LEU A 101 -3.573 -5.139 -12.379 1.00 13.31 H new ATOM 0 HD11 LEU A 101 -1.359 -6.144 -12.772 1.00 13.12 H new ATOM 0 HD12 LEU A 101 -2.056 -6.667 -11.220 1.00 13.12 H new ATOM 0 HD13 LEU A 101 -2.077 -7.765 -12.620 1.00 13.12 H new ATOM 0 HD21 LEU A 101 -2.803 -5.614 -14.674 1.00 25.53 H new ATOM 0 HD22 LEU A 101 -3.565 -7.220 -14.591 1.00 25.53 H new ATOM 0 HD23 LEU A 101 -4.571 -5.754 -14.528 1.00 25.53 H new ATOM 1709 N ASN A 102 -7.110 -7.914 -10.685 1.00 24.02 N ATOM 1710 CA ASN A 102 -7.841 -9.132 -10.324 1.00 71.24 C ATOM 1711 C ASN A 102 -8.755 -8.969 -9.135 1.00 0.11 C ATOM 1712 O ASN A 102 -9.973 -9.011 -9.282 1.00 41.30 O ATOM 1713 CB ASN A 102 -6.836 -10.287 -10.072 1.00 34.42 C ATOM 1714 CG ASN A 102 -7.438 -11.714 -9.874 1.00 54.50 C ATOM 1715 OD1 ASN A 102 -8.637 -11.843 -9.343 1.00 53.13 O flip ATOM 1716 ND2 ASN A 102 -6.787 -12.699 -10.211 1.00 31.44 N flip ATOM 0 H ASN A 102 -6.745 -7.361 -9.910 1.00 24.02 H new ATOM 0 HA ASN A 102 -8.489 -9.365 -11.169 1.00 71.24 H new ATOM 0 HB2 ASN A 102 -6.144 -10.324 -10.913 1.00 34.42 H new ATOM 0 HB3 ASN A 102 -6.250 -10.040 -9.187 1.00 34.42 H new ATOM 0 HD21 ASN A 102 -5.860 -12.582 -10.621 1.00 31.44 H new ATOM 0 HD22 ASN A 102 -7.173 -13.634 -10.081 1.00 31.44 H new ATOM 1723 N GLN A 103 -8.193 -8.833 -7.956 1.00 51.43 N ATOM 1724 CA GLN A 103 -9.044 -8.869 -6.757 1.00 61.33 C ATOM 1725 C GLN A 103 -9.167 -7.545 -6.037 1.00 61.23 C ATOM 1726 O GLN A 103 -9.599 -7.522 -4.887 1.00 52.54 O ATOM 1727 CB GLN A 103 -8.596 -9.956 -5.781 1.00 24.21 C ATOM 1728 CG GLN A 103 -7.209 -9.773 -5.198 1.00 63.05 C ATOM 1729 CD GLN A 103 -6.895 -10.828 -4.165 1.00 52.14 C ATOM 1730 OE1 GLN A 103 -7.785 -11.336 -3.481 1.00 10.54 O ATOM 1731 NE2 GLN A 103 -5.647 -11.159 -4.030 1.00 34.24 N ATOM 0 H GLN A 103 -7.196 -8.701 -7.788 1.00 51.43 H new ATOM 0 HA GLN A 103 -10.039 -9.106 -7.134 1.00 61.33 H new ATOM 0 HB2 GLN A 103 -9.313 -10.003 -4.961 1.00 24.21 H new ATOM 0 HB3 GLN A 103 -8.633 -10.918 -6.292 1.00 24.21 H new ATOM 0 HG2 GLN A 103 -6.469 -9.815 -5.998 1.00 63.05 H new ATOM 0 HG3 GLN A 103 -7.132 -8.785 -4.744 1.00 63.05 H new ATOM 0 HE21 GLN A 103 -4.936 -10.718 -4.614 1.00 34.24 H new ATOM 0 HE22 GLN A 103 -5.377 -11.860 -3.340 1.00 34.24 H new ATOM 1740 N GLU A 104 -8.842 -6.458 -6.716 1.00 4.23 N ATOM 1741 CA GLU A 104 -8.929 -5.101 -6.149 1.00 12.02 C ATOM 1742 C GLU A 104 -8.134 -4.909 -4.840 1.00 3.33 C ATOM 1743 O GLU A 104 -6.933 -4.684 -4.887 1.00 33.35 O ATOM 1744 CB GLU A 104 -10.371 -4.471 -6.161 1.00 13.13 C ATOM 1745 CG GLU A 104 -11.466 -5.257 -5.463 1.00 53.42 C ATOM 1746 CD GLU A 104 -12.819 -4.644 -5.645 1.00 70.53 C ATOM 1747 OE1 GLU A 104 -13.220 -3.811 -4.820 1.00 52.04 O ATOM 1748 OE2 GLU A 104 -13.525 -5.025 -6.609 1.00 3.20 O ATOM 0 H GLU A 104 -8.508 -6.480 -7.680 1.00 4.23 H new ATOM 0 HA GLU A 104 -8.392 -4.479 -6.864 1.00 12.02 H new ATOM 0 HB2 GLU A 104 -10.315 -3.484 -5.701 1.00 13.13 H new ATOM 0 HB3 GLU A 104 -10.668 -4.322 -7.199 1.00 13.13 H new ATOM 0 HG2 GLU A 104 -11.478 -6.277 -5.848 1.00 53.42 H new ATOM 0 HG3 GLU A 104 -11.240 -5.321 -4.399 1.00 53.42 H new ATOM 1755 N VAL A 105 -8.766 -5.030 -3.709 1.00 64.11 N ATOM 1756 CA VAL A 105 -8.058 -4.921 -2.462 1.00 43.05 C ATOM 1757 C VAL A 105 -7.846 -6.322 -1.859 1.00 14.22 C ATOM 1758 O VAL A 105 -8.793 -6.962 -1.390 1.00 31.54 O ATOM 1759 CB VAL A 105 -8.751 -3.932 -1.458 1.00 32.12 C ATOM 1760 CG1 VAL A 105 -10.203 -4.317 -1.180 1.00 71.22 C ATOM 1761 CG2 VAL A 105 -7.959 -3.831 -0.155 1.00 14.41 C ATOM 0 H VAL A 105 -9.767 -5.204 -3.622 1.00 64.11 H new ATOM 0 HA VAL A 105 -7.080 -4.484 -2.663 1.00 43.05 H new ATOM 0 HB VAL A 105 -8.762 -2.951 -1.933 1.00 32.12 H new ATOM 0 HG11 VAL A 105 -10.641 -3.605 -0.481 1.00 71.22 H new ATOM 0 HG12 VAL A 105 -10.768 -4.304 -2.112 1.00 71.22 H new ATOM 0 HG13 VAL A 105 -10.238 -5.317 -0.748 1.00 71.22 H new ATOM 0 HG21 VAL A 105 -8.460 -3.140 0.523 1.00 14.41 H new ATOM 0 HG22 VAL A 105 -7.897 -4.815 0.310 1.00 14.41 H new ATOM 0 HG23 VAL A 105 -6.954 -3.466 -0.367 1.00 14.41 H new ATOM 1771 N PRO A 106 -6.605 -6.838 -1.915 1.00 32.24 N ATOM 1772 CA PRO A 106 -6.282 -8.172 -1.417 1.00 43.12 C ATOM 1773 C PRO A 106 -6.580 -8.328 0.071 1.00 32.32 C ATOM 1774 O PRO A 106 -6.084 -7.554 0.907 1.00 60.51 O ATOM 1775 CB PRO A 106 -4.770 -8.305 -1.662 1.00 23.25 C ATOM 1776 CG PRO A 106 -4.458 -7.285 -2.696 1.00 42.32 C ATOM 1777 CD PRO A 106 -5.417 -6.160 -2.471 1.00 1.44 C ATOM 0 HA PRO A 106 -6.879 -8.935 -1.917 1.00 43.12 H new ATOM 0 HB2 PRO A 106 -4.205 -8.126 -0.747 1.00 23.25 H new ATOM 0 HB3 PRO A 106 -4.512 -9.307 -2.005 1.00 23.25 H new ATOM 0 HG2 PRO A 106 -3.427 -6.942 -2.607 1.00 42.32 H new ATOM 0 HG3 PRO A 106 -4.571 -7.699 -3.698 1.00 42.32 H new ATOM 0 HD2 PRO A 106 -5.015 -5.420 -1.779 1.00 1.44 H new ATOM 0 HD3 PRO A 106 -5.649 -5.637 -3.399 1.00 1.44 H new ATOM 1785 N LYS A 107 -7.379 -9.339 0.397 1.00 2.41 N ATOM 1786 CA LYS A 107 -7.726 -9.654 1.776 1.00 71.01 C ATOM 1787 C LYS A 107 -6.447 -10.036 2.517 1.00 72.23 C ATOM 1788 O LYS A 107 -6.318 -9.826 3.711 1.00 54.11 O ATOM 1789 CB LYS A 107 -8.790 -10.812 1.800 1.00 25.11 C ATOM 1790 CG LYS A 107 -9.388 -11.204 3.180 1.00 2.40 C ATOM 1791 CD LYS A 107 -8.397 -11.912 4.109 1.00 24.41 C ATOM 1792 CE LYS A 107 -9.006 -12.231 5.466 1.00 63.14 C ATOM 1793 NZ LYS A 107 -10.155 -13.157 5.374 1.00 73.21 N ATOM 0 H LYS A 107 -7.804 -9.963 -0.289 1.00 2.41 H new ATOM 0 HA LYS A 107 -8.172 -8.794 2.274 1.00 71.01 H new ATOM 0 HB2 LYS A 107 -9.613 -10.527 1.145 1.00 25.11 H new ATOM 0 HB3 LYS A 107 -8.331 -11.701 1.367 1.00 25.11 H new ATOM 0 HG2 LYS A 107 -9.755 -10.305 3.674 1.00 2.40 H new ATOM 0 HG3 LYS A 107 -10.249 -11.854 3.020 1.00 2.40 H new ATOM 0 HD2 LYS A 107 -8.058 -12.835 3.639 1.00 24.41 H new ATOM 0 HD3 LYS A 107 -7.518 -11.283 4.247 1.00 24.41 H new ATOM 0 HE2 LYS A 107 -8.242 -12.670 6.108 1.00 63.14 H new ATOM 0 HE3 LYS A 107 -9.329 -11.305 5.941 1.00 63.14 H new ATOM 0 HZ1 LYS A 107 -10.456 -13.433 6.331 1.00 73.21 H new ATOM 0 HZ2 LYS A 107 -10.943 -12.685 4.886 1.00 73.21 H new ATOM 0 HZ3 LYS A 107 -9.876 -14.005 4.841 1.00 73.21 H new ATOM 1807 N GLU A 108 -5.492 -10.543 1.781 1.00 54.42 N ATOM 1808 CA GLU A 108 -4.239 -10.967 2.338 1.00 73.31 C ATOM 1809 C GLU A 108 -3.416 -9.787 2.874 1.00 54.20 C ATOM 1810 O GLU A 108 -2.553 -9.972 3.716 1.00 3.44 O ATOM 1811 CB GLU A 108 -3.491 -11.819 1.334 1.00 44.20 C ATOM 1812 CG GLU A 108 -2.242 -12.489 1.850 1.00 21.03 C ATOM 1813 CD GLU A 108 -1.807 -13.577 0.920 1.00 40.12 C ATOM 1814 OE1 GLU A 108 -1.263 -13.281 -0.144 1.00 1.00 O ATOM 1815 OE2 GLU A 108 -2.081 -14.762 1.219 1.00 31.14 O ATOM 0 H GLU A 108 -5.565 -10.673 0.772 1.00 54.42 H new ATOM 0 HA GLU A 108 -4.434 -11.590 3.211 1.00 73.31 H new ATOM 0 HB2 GLU A 108 -4.167 -12.589 0.962 1.00 44.20 H new ATOM 0 HB3 GLU A 108 -3.221 -11.193 0.483 1.00 44.20 H new ATOM 0 HG2 GLU A 108 -1.445 -11.753 1.956 1.00 21.03 H new ATOM 0 HG3 GLU A 108 -2.427 -12.903 2.841 1.00 21.03 H new ATOM 1822 N LEU A 109 -3.727 -8.554 2.431 1.00 14.25 N ATOM 1823 CA LEU A 109 -3.065 -7.375 2.978 1.00 74.41 C ATOM 1824 C LEU A 109 -3.580 -7.193 4.401 1.00 64.23 C ATOM 1825 O LEU A 109 -2.850 -6.781 5.317 1.00 51.10 O ATOM 1826 CB LEU A 109 -3.367 -6.143 2.119 1.00 51.25 C ATOM 1827 CG LEU A 109 -2.561 -4.878 2.394 1.00 0.04 C ATOM 1828 CD1 LEU A 109 -1.080 -5.122 2.155 1.00 3.05 C ATOM 1829 CD2 LEU A 109 -3.054 -3.739 1.517 1.00 3.33 C ATOM 0 H LEU A 109 -4.421 -8.359 1.709 1.00 14.25 H new ATOM 0 HA LEU A 109 -1.982 -7.501 2.980 1.00 74.41 H new ATOM 0 HB2 LEU A 109 -3.218 -6.416 1.074 1.00 51.25 H new ATOM 0 HB3 LEU A 109 -4.423 -5.901 2.237 1.00 51.25 H new ATOM 0 HG LEU A 109 -2.700 -4.603 3.440 1.00 0.04 H new ATOM 0 HD11 LEU A 109 -0.523 -4.207 2.357 1.00 3.05 H new ATOM 0 HD12 LEU A 109 -0.730 -5.913 2.818 1.00 3.05 H new ATOM 0 HD13 LEU A 109 -0.923 -5.421 1.119 1.00 3.05 H new ATOM 0 HD21 LEU A 109 -2.470 -2.842 1.723 1.00 3.33 H new ATOM 0 HD22 LEU A 109 -2.941 -4.012 0.468 1.00 3.33 H new ATOM 0 HD23 LEU A 109 -4.105 -3.545 1.730 1.00 3.33 H new ATOM 1841 N LEU A 110 -4.840 -7.565 4.577 1.00 44.34 N ATOM 1842 CA LEU A 110 -5.494 -7.591 5.872 1.00 23.22 C ATOM 1843 C LEU A 110 -4.914 -8.712 6.705 1.00 54.11 C ATOM 1844 O LEU A 110 -4.959 -8.673 7.914 1.00 20.14 O ATOM 1845 CB LEU A 110 -7.044 -7.725 5.752 1.00 42.31 C ATOM 1846 CG LEU A 110 -7.860 -6.490 5.264 1.00 34.05 C ATOM 1847 CD1 LEU A 110 -7.366 -5.946 3.938 1.00 74.25 C ATOM 1848 CD2 LEU A 110 -9.334 -6.846 5.152 1.00 52.51 C ATOM 0 H LEU A 110 -5.444 -7.861 3.810 1.00 44.34 H new ATOM 0 HA LEU A 110 -5.307 -6.637 6.365 1.00 23.22 H new ATOM 0 HB2 LEU A 110 -7.254 -8.551 5.073 1.00 42.31 H new ATOM 0 HB3 LEU A 110 -7.429 -8.011 6.731 1.00 42.31 H new ATOM 0 HG LEU A 110 -7.719 -5.707 6.009 1.00 34.05 H new ATOM 0 HD11 LEU A 110 -7.972 -5.087 3.649 1.00 74.25 H new ATOM 0 HD12 LEU A 110 -6.325 -5.639 4.036 1.00 74.25 H new ATOM 0 HD13 LEU A 110 -7.446 -6.720 3.175 1.00 74.25 H new ATOM 0 HD21 LEU A 110 -9.894 -5.975 4.810 1.00 52.51 H new ATOM 0 HD22 LEU A 110 -9.458 -7.660 4.438 1.00 52.51 H new ATOM 0 HD23 LEU A 110 -9.708 -7.158 6.127 1.00 52.51 H new ATOM 1860 N GLU A 111 -4.410 -9.729 6.053 1.00 50.52 N ATOM 1861 CA GLU A 111 -3.695 -10.769 6.748 1.00 24.32 C ATOM 1862 C GLU A 111 -2.257 -10.342 7.099 1.00 14.15 C ATOM 1863 O GLU A 111 -1.650 -10.905 8.000 1.00 61.53 O ATOM 1864 CB GLU A 111 -3.727 -12.112 6.015 1.00 74.41 C ATOM 1865 CG GLU A 111 -5.127 -12.679 5.832 1.00 12.43 C ATOM 1866 CD GLU A 111 -5.125 -14.111 5.353 1.00 64.41 C ATOM 1867 OE1 GLU A 111 -5.115 -14.356 4.129 1.00 53.34 O ATOM 1868 OE2 GLU A 111 -5.136 -15.019 6.213 1.00 45.03 O ATOM 0 H GLU A 111 -4.481 -9.859 5.044 1.00 50.52 H new ATOM 0 HA GLU A 111 -4.227 -10.924 7.686 1.00 24.32 H new ATOM 0 HB2 GLU A 111 -3.263 -11.992 5.036 1.00 74.41 H new ATOM 0 HB3 GLU A 111 -3.123 -12.832 6.568 1.00 74.41 H new ATOM 0 HG2 GLU A 111 -5.664 -12.619 6.779 1.00 12.43 H new ATOM 0 HG3 GLU A 111 -5.672 -12.063 5.117 1.00 12.43 H new ATOM 1875 N PHE A 112 -1.722 -9.321 6.403 1.00 70.32 N ATOM 1876 CA PHE A 112 -0.352 -8.875 6.665 1.00 2.23 C ATOM 1877 C PHE A 112 -0.293 -7.893 7.793 1.00 41.34 C ATOM 1878 O PHE A 112 0.340 -8.143 8.810 1.00 30.13 O ATOM 1879 CB PHE A 112 0.339 -8.256 5.433 1.00 32.43 C ATOM 1880 CG PHE A 112 0.884 -9.216 4.411 1.00 4.31 C ATOM 1881 CD1 PHE A 112 2.031 -9.941 4.683 1.00 75.14 C ATOM 1882 CD2 PHE A 112 0.292 -9.363 3.179 1.00 65.12 C ATOM 1883 CE1 PHE A 112 2.564 -10.800 3.744 1.00 50.25 C ATOM 1884 CE2 PHE A 112 0.816 -10.224 2.235 1.00 15.51 C ATOM 1885 CZ PHE A 112 1.953 -10.943 2.520 1.00 22.30 C ATOM 0 H PHE A 112 -2.209 -8.803 5.672 1.00 70.32 H new ATOM 0 HA PHE A 112 0.188 -9.782 6.935 1.00 2.23 H new ATOM 0 HB2 PHE A 112 -0.375 -7.599 4.936 1.00 32.43 H new ATOM 0 HB3 PHE A 112 1.159 -7.629 5.782 1.00 32.43 H new ATOM 0 HD1 PHE A 112 2.515 -9.833 5.642 1.00 75.14 H new ATOM 0 HD2 PHE A 112 -0.597 -8.796 2.946 1.00 65.12 H new ATOM 0 HE1 PHE A 112 3.460 -11.359 3.970 1.00 50.25 H new ATOM 0 HE2 PHE A 112 0.334 -10.332 1.275 1.00 15.51 H new ATOM 0 HZ PHE A 112 2.365 -11.618 1.785 1.00 22.30 H new ATOM 1895 N LEU A 113 -0.974 -6.781 7.637 1.00 54.15 N ATOM 1896 CA LEU A 113 -0.910 -5.747 8.651 1.00 63.22 C ATOM 1897 C LEU A 113 -2.087 -5.873 9.572 1.00 1.12 C ATOM 1898 O LEU A 113 -2.308 -5.014 10.434 1.00 22.43 O ATOM 1899 CB LEU A 113 -0.898 -4.331 8.060 1.00 23.22 C ATOM 1900 CG LEU A 113 0.094 -4.010 6.940 1.00 24.53 C ATOM 1901 CD1 LEU A 113 -0.414 -4.509 5.578 1.00 51.31 C ATOM 1902 CD2 LEU A 113 0.394 -2.523 6.918 1.00 71.54 C ATOM 0 H LEU A 113 -1.568 -6.569 6.836 1.00 54.15 H new ATOM 0 HA LEU A 113 0.027 -5.890 9.188 1.00 63.22 H new ATOM 0 HB2 LEU A 113 -1.900 -4.121 7.684 1.00 23.22 H new ATOM 0 HB3 LEU A 113 -0.711 -3.634 8.877 1.00 23.22 H new ATOM 0 HG LEU A 113 1.024 -4.541 7.141 1.00 24.53 H new ATOM 0 HD11 LEU A 113 0.315 -4.264 4.806 1.00 51.31 H new ATOM 0 HD12 LEU A 113 -0.554 -5.589 5.615 1.00 51.31 H new ATOM 0 HD13 LEU A 113 -1.364 -4.028 5.345 1.00 51.31 H new ATOM 0 HD21 LEU A 113 1.101 -2.306 6.117 1.00 71.54 H new ATOM 0 HD22 LEU A 113 -0.529 -1.968 6.748 1.00 71.54 H new ATOM 0 HD23 LEU A 113 0.826 -2.225 7.873 1.00 71.54 H new ATOM 1914 N ARG A 114 -2.855 -6.955 9.369 1.00 34.41 N ATOM 1915 CA ARG A 114 -4.037 -7.265 10.169 1.00 41.45 C ATOM 1916 C ARG A 114 -5.128 -6.227 9.935 1.00 40.21 C ATOM 1917 O ARG A 114 -6.008 -6.063 10.744 1.00 15.35 O ATOM 1918 CB ARG A 114 -3.641 -7.415 11.640 1.00 74.32 C ATOM 1919 CG ARG A 114 -2.641 -8.544 11.821 1.00 72.34 C ATOM 1920 CD ARG A 114 -2.047 -8.593 13.201 1.00 15.14 C ATOM 1921 NE ARG A 114 -1.080 -9.691 13.300 1.00 51.23 N ATOM 1922 CZ ARG A 114 0.220 -9.557 13.597 1.00 53.42 C ATOM 1923 NH1 ARG A 114 0.764 -8.354 13.760 1.00 23.31 N ATOM 1924 NH2 ARG A 114 0.975 -10.634 13.703 1.00 74.12 N ATOM 0 H ARG A 114 -2.667 -7.641 8.638 1.00 34.41 H new ATOM 0 HA ARG A 114 -4.460 -8.220 9.857 1.00 41.45 H new ATOM 0 HB2 ARG A 114 -3.210 -6.481 12.002 1.00 74.32 H new ATOM 0 HB3 ARG A 114 -4.529 -7.611 12.241 1.00 74.32 H new ATOM 0 HG2 ARG A 114 -3.133 -9.494 11.610 1.00 72.34 H new ATOM 0 HG3 ARG A 114 -1.839 -8.431 11.091 1.00 72.34 H new ATOM 0 HD2 ARG A 114 -1.557 -7.646 13.427 1.00 15.14 H new ATOM 0 HD3 ARG A 114 -2.837 -8.727 13.940 1.00 15.14 H new ATOM 0 HE ARG A 114 -1.426 -10.635 13.129 1.00 51.23 H new ATOM 0 HH11 ARG A 114 0.190 -7.517 13.659 1.00 23.31 H new ATOM 0 HH12 ARG A 114 1.755 -8.269 13.986 1.00 23.31 H new ATOM 0 HH21 ARG A 114 0.568 -11.558 13.559 1.00 74.12 H new ATOM 0 HH22 ARG A 114 1.965 -10.542 13.929 1.00 74.12 H new ATOM 1938 N LEU A 115 -5.096 -5.640 8.707 1.00 63.15 N ATOM 1939 CA LEU A 115 -5.955 -4.509 8.249 1.00 44.13 C ATOM 1940 C LEU A 115 -7.472 -4.731 8.378 1.00 23.21 C ATOM 1941 O LEU A 115 -8.252 -3.800 8.128 1.00 12.33 O ATOM 1942 CB LEU A 115 -5.646 -4.139 6.787 1.00 73.00 C ATOM 1943 CG LEU A 115 -4.238 -3.757 6.443 1.00 62.41 C ATOM 1944 CD1 LEU A 115 -4.166 -3.400 4.987 1.00 31.14 C ATOM 1945 CD2 LEU A 115 -3.752 -2.622 7.302 1.00 21.24 C ATOM 0 H LEU A 115 -4.449 -5.951 7.982 1.00 63.15 H new ATOM 0 HA LEU A 115 -5.699 -3.700 8.933 1.00 44.13 H new ATOM 0 HB2 LEU A 115 -5.925 -4.987 6.161 1.00 73.00 H new ATOM 0 HB3 LEU A 115 -6.295 -3.309 6.508 1.00 73.00 H new ATOM 0 HG LEU A 115 -3.584 -4.607 6.638 1.00 62.41 H new ATOM 0 HD11 LEU A 115 -3.144 -3.121 4.731 1.00 31.14 H new ATOM 0 HD12 LEU A 115 -4.469 -4.258 4.387 1.00 31.14 H new ATOM 0 HD13 LEU A 115 -4.832 -2.561 4.785 1.00 31.14 H new ATOM 0 HD21 LEU A 115 -2.728 -2.370 7.027 1.00 21.24 H new ATOM 0 HD22 LEU A 115 -4.392 -1.753 7.153 1.00 21.24 H new ATOM 0 HD23 LEU A 115 -3.783 -2.920 8.350 1.00 21.24 H new ATOM 1957 N ARG A 116 -7.895 -5.916 8.729 1.00 61.40 N ATOM 1958 CA ARG A 116 -9.305 -6.169 8.907 1.00 74.21 C ATOM 1959 C ARG A 116 -9.911 -5.358 10.053 1.00 50.11 C ATOM 1960 O ARG A 116 -9.387 -5.343 11.175 1.00 24.30 O ATOM 1961 CB ARG A 116 -9.670 -7.679 8.922 1.00 23.01 C ATOM 1962 CG ARG A 116 -8.720 -8.614 9.678 1.00 40.23 C ATOM 1963 CD ARG A 116 -8.595 -8.324 11.158 1.00 44.22 C ATOM 1964 NE ARG A 116 -7.696 -9.287 11.785 1.00 54.14 N ATOM 1965 CZ ARG A 116 -7.028 -9.116 12.921 1.00 41.11 C ATOM 1966 NH1 ARG A 116 -7.124 -7.972 13.602 1.00 40.42 N ATOM 1967 NH2 ARG A 116 -6.258 -10.094 13.369 1.00 62.43 N ATOM 0 H ARG A 116 -7.289 -6.719 8.897 1.00 61.40 H new ATOM 0 HA ARG A 116 -9.793 -5.793 8.008 1.00 74.21 H new ATOM 0 HB2 ARG A 116 -10.665 -7.783 9.355 1.00 23.01 H new ATOM 0 HB3 ARG A 116 -9.734 -8.023 7.890 1.00 23.01 H new ATOM 0 HG2 ARG A 116 -9.064 -9.640 9.550 1.00 40.23 H new ATOM 0 HG3 ARG A 116 -7.731 -8.550 9.224 1.00 40.23 H new ATOM 0 HD2 ARG A 116 -8.218 -7.312 11.307 1.00 44.22 H new ATOM 0 HD3 ARG A 116 -9.577 -8.371 11.630 1.00 44.22 H new ATOM 0 HE ARG A 116 -7.568 -10.178 11.305 1.00 54.14 H new ATOM 0 HH11 ARG A 116 -7.715 -7.218 13.252 1.00 40.42 H new ATOM 0 HH12 ARG A 116 -6.607 -7.852 14.473 1.00 40.42 H new ATOM 0 HH21 ARG A 116 -6.183 -10.965 12.844 1.00 62.43 H new ATOM 0 HH22 ARG A 116 -5.739 -9.977 14.239 1.00 62.43 H new