USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 648 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 8 LYS NZ :NH3+ -162:sc=-0.00993 (180deg=-0.188) USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= 0.382 (180deg=0.17) USER MOD Single : A 11 SER OG : rot 26:sc= 0.252 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -170:sc= -0.336 USER MOD Single : A 38 SER OG : rot 180:sc= -0.204 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.194 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 139:sc= -0.938 (180deg=-2.92!) USER MOD Single : A 72 THR OG1 : rot -154:sc= 0.647 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0644 X(o=-0.064,f=-0.064) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.187 X(o=-0.19,f=-0.39) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.194 K(o=-0.19,f=-2.2!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 4.553 3.847 11.983 1.00 0.00 N ATOM 67 CA LYS A 8 3.680 4.209 10.873 1.00 0.00 C ATOM 68 C LYS A 8 4.359 3.938 9.534 1.00 0.00 C ATOM 69 O LYS A 8 3.849 4.316 8.480 1.00 0.00 O ATOM 70 CB LYS A 8 3.285 5.684 10.967 1.00 0.00 C ATOM 71 CG LYS A 8 2.928 6.129 12.375 1.00 0.00 C ATOM 72 CD LYS A 8 1.931 7.276 12.361 1.00 0.00 C ATOM 73 CE LYS A 8 1.174 7.372 13.677 1.00 0.00 C ATOM 74 NZ LYS A 8 0.198 6.258 13.838 1.00 0.00 N ATOM 0 HA LYS A 8 2.782 3.594 10.936 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.108 6.296 10.599 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.434 5.866 10.311 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.509 5.288 12.928 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.832 6.438 12.900 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.455 8.213 12.172 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.225 7.136 11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.882 7.357 14.505 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.648 8.325 13.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.498 6.509 14.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.292 6.093 12.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.702 5.393 14.122 1.00 0.00 H new ATOM 88 N VAL A 9 5.513 3.279 9.584 1.00 0.00 N ATOM 89 CA VAL A 9 6.261 2.956 8.375 1.00 0.00 C ATOM 90 C VAL A 9 6.874 1.563 8.465 1.00 0.00 C ATOM 91 O VAL A 9 6.783 0.897 9.497 1.00 0.00 O ATOM 92 CB VAL A 9 7.381 3.981 8.117 1.00 0.00 C ATOM 93 CG1 VAL A 9 6.821 5.396 8.125 1.00 0.00 C ATOM 94 CG2 VAL A 9 8.489 3.832 9.148 1.00 0.00 C ATOM 0 H VAL A 9 5.950 2.959 10.448 1.00 0.00 H new ATOM 0 HA VAL A 9 5.553 2.987 7.547 1.00 0.00 H new ATOM 0 HB VAL A 9 7.806 3.788 7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.626 6.107 7.941 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.066 5.493 7.345 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.369 5.603 9.095 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.271 4.564 8.950 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.082 3.997 10.146 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.909 2.828 9.089 1.00 0.00 H new ATOM 104 N LYS A 10 7.500 1.127 7.377 1.00 0.00 N ATOM 105 CA LYS A 10 8.131 -0.187 7.332 1.00 0.00 C ATOM 106 C LYS A 10 8.970 -0.344 6.068 1.00 0.00 C ATOM 107 O LYS A 10 8.571 0.093 4.988 1.00 0.00 O ATOM 108 CB LYS A 10 7.069 -1.288 7.392 1.00 0.00 C ATOM 109 CG LYS A 10 7.608 -2.627 7.863 1.00 0.00 C ATOM 110 CD LYS A 10 6.747 -3.779 7.372 1.00 0.00 C ATOM 111 CE LYS A 10 7.421 -5.121 7.613 1.00 0.00 C ATOM 112 NZ LYS A 10 8.677 -5.260 6.825 1.00 0.00 N ATOM 0 H LYS A 10 7.584 1.665 6.514 1.00 0.00 H new ATOM 0 HA LYS A 10 8.788 -0.277 8.197 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.268 -0.973 8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.628 -1.411 6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.629 -2.756 7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.649 -2.641 8.952 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.784 -3.758 7.882 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.547 -3.657 6.307 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.644 -5.230 8.674 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.735 -5.925 7.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.951 -6.262 6.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.523 -4.903 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.435 -4.712 7.280 1.00 0.00 H new ATOM 126 N SER A 11 10.133 -0.972 6.209 1.00 0.00 N ATOM 127 CA SER A 11 11.030 -1.184 5.079 1.00 0.00 C ATOM 128 C SER A 11 11.740 -2.529 5.194 1.00 0.00 C ATOM 129 O SER A 11 12.331 -2.845 6.227 1.00 0.00 O ATOM 130 CB SER A 11 12.059 -0.056 4.998 1.00 0.00 C ATOM 131 OG SER A 11 12.933 -0.082 6.113 1.00 0.00 O ATOM 0 H SER A 11 10.476 -1.343 7.095 1.00 0.00 H new ATOM 0 HA SER A 11 10.432 -1.185 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.635 -0.151 4.078 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.547 0.905 4.956 1.00 0.00 H new ATOM 0 HG SER A 11 12.983 -0.994 6.468 1.00 0.00 H new ATOM 137 N GLY A 12 11.679 -3.318 4.126 1.00 0.00 N ATOM 138 CA GLY A 12 12.320 -4.620 4.127 1.00 0.00 C ATOM 139 C GLY A 12 12.406 -5.225 2.740 1.00 0.00 C ATOM 140 O GLY A 12 11.544 -4.983 1.895 1.00 0.00 O ATOM 0 H GLY A 12 11.197 -3.079 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.323 -4.527 4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 12 11.766 -5.294 4.780 1.00 0.00 H new ATOM 144 N TRP A 13 13.449 -6.013 2.504 1.00 0.00 N ATOM 145 CA TRP A 13 13.645 -6.654 1.208 1.00 0.00 C ATOM 146 C TRP A 13 12.471 -7.566 0.869 1.00 0.00 C ATOM 147 O TRP A 13 12.252 -8.583 1.527 1.00 0.00 O ATOM 148 CB TRP A 13 14.948 -7.455 1.204 1.00 0.00 C ATOM 149 CG TRP A 13 16.171 -6.601 1.337 1.00 0.00 C ATOM 150 CD1 TRP A 13 16.855 -6.321 2.486 1.00 0.00 C ATOM 151 CD2 TRP A 13 16.855 -5.913 0.283 1.00 0.00 C ATOM 152 NE1 TRP A 13 17.923 -5.501 2.210 1.00 0.00 N ATOM 153 CE2 TRP A 13 17.945 -5.237 0.866 1.00 0.00 C ATOM 154 CE3 TRP A 13 16.654 -5.805 -1.095 1.00 0.00 C ATOM 155 CZ2 TRP A 13 18.827 -4.464 0.116 1.00 0.00 C ATOM 156 CZ3 TRP A 13 17.530 -5.037 -1.838 1.00 0.00 C ATOM 157 CH2 TRP A 13 18.606 -4.375 -1.232 1.00 0.00 C ATOM 0 H TRP A 13 14.172 -6.223 3.192 1.00 0.00 H new ATOM 0 HA TRP A 13 13.705 -5.874 0.449 1.00 0.00 H new ATOM 0 HB2 TRP A 13 14.926 -8.175 2.022 1.00 0.00 H new ATOM 0 HB3 TRP A 13 15.012 -8.027 0.278 1.00 0.00 H new ATOM 0 HD1 TRP A 13 16.595 -6.690 3.467 1.00 0.00 H new ATOM 0 HE1 TRP A 13 18.591 -5.147 2.895 1.00 0.00 H new ATOM 0 HE3 TRP A 13 15.828 -6.313 -1.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.657 -3.952 0.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 17.383 -4.945 -2.904 1.00 0.00 H new ATOM 0 HH2 TRP A 13 19.274 -3.783 -1.840 1.00 0.00 H new ATOM 168 N LEU A 14 11.719 -7.196 -0.162 1.00 0.00 N ATOM 169 CA LEU A 14 10.567 -7.982 -0.590 1.00 0.00 C ATOM 170 C LEU A 14 10.753 -8.490 -2.016 1.00 0.00 C ATOM 171 O LEU A 14 11.678 -8.078 -2.716 1.00 0.00 O ATOM 172 CB LEU A 14 9.291 -7.144 -0.497 1.00 0.00 C ATOM 173 CG LEU A 14 8.860 -6.730 0.910 1.00 0.00 C ATOM 174 CD1 LEU A 14 7.743 -5.699 0.846 1.00 0.00 C ATOM 175 CD2 LEU A 14 8.419 -7.946 1.712 1.00 0.00 C ATOM 0 H LEU A 14 11.886 -6.357 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 14 10.479 -8.843 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.429 -6.242 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.477 -7.707 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 14 9.715 -6.278 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.450 -5.417 1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.093 -4.817 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.885 -6.124 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.116 -7.633 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.578 -8.427 1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.247 -8.651 1.789 1.00 0.00 H new ATOM 187 N ASP A 15 9.867 -9.384 -2.440 1.00 0.00 N ATOM 188 CA ASP A 15 9.932 -9.946 -3.784 1.00 0.00 C ATOM 189 C ASP A 15 8.787 -9.424 -4.647 1.00 0.00 C ATOM 190 O ASP A 15 7.701 -9.130 -4.145 1.00 0.00 O ATOM 191 CB ASP A 15 9.886 -11.474 -3.724 1.00 0.00 C ATOM 192 CG ASP A 15 11.142 -12.067 -3.117 1.00 0.00 C ATOM 193 OD1 ASP A 15 12.153 -12.181 -3.840 1.00 0.00 O ATOM 194 OD2 ASP A 15 11.113 -12.419 -1.919 1.00 0.00 O ATOM 0 H ASP A 15 9.095 -9.735 -1.873 1.00 0.00 H new ATOM 0 HA ASP A 15 10.874 -9.636 -4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.021 -11.786 -3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.750 -11.870 -4.730 1.00 0.00 H new ATOM 199 N LYS A 16 9.037 -9.311 -5.947 1.00 0.00 N ATOM 200 CA LYS A 16 8.028 -8.824 -6.881 1.00 0.00 C ATOM 201 C LYS A 16 7.607 -9.925 -7.849 1.00 0.00 C ATOM 202 O LYS A 16 8.346 -10.270 -8.772 1.00 0.00 O ATOM 203 CB LYS A 16 8.564 -7.622 -7.661 1.00 0.00 C ATOM 204 CG LYS A 16 7.489 -6.858 -8.415 1.00 0.00 C ATOM 205 CD LYS A 16 6.599 -6.069 -7.469 1.00 0.00 C ATOM 206 CE LYS A 16 5.504 -5.329 -8.222 1.00 0.00 C ATOM 207 NZ LYS A 16 5.962 -3.994 -8.696 1.00 0.00 N ATOM 0 H LYS A 16 9.930 -9.550 -6.378 1.00 0.00 H new ATOM 0 HA LYS A 16 7.155 -8.516 -6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.063 -6.943 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.318 -7.966 -8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.956 -6.179 -9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.881 -7.556 -8.991 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.149 -6.745 -6.742 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.203 -5.355 -6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.182 -5.927 -9.075 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.637 -5.206 -7.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.187 -3.522 -9.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.245 -3.414 -7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.774 -4.112 -9.335 1.00 0.00 H new ATOM 221 N LEU A 17 6.416 -10.473 -7.633 1.00 0.00 N ATOM 222 CA LEU A 17 5.896 -11.534 -8.488 1.00 0.00 C ATOM 223 C LEU A 17 6.086 -11.189 -9.961 1.00 0.00 C ATOM 224 O LEU A 17 5.324 -10.407 -10.530 1.00 0.00 O ATOM 225 CB LEU A 17 4.413 -11.771 -8.195 1.00 0.00 C ATOM 226 CG LEU A 17 3.673 -12.683 -9.174 1.00 0.00 C ATOM 227 CD1 LEU A 17 4.022 -14.140 -8.914 1.00 0.00 C ATOM 228 CD2 LEU A 17 2.170 -12.466 -9.073 1.00 0.00 C ATOM 0 H LEU A 17 5.793 -10.200 -6.873 1.00 0.00 H new ATOM 0 HA LEU A 17 6.453 -12.446 -8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.324 -12.196 -7.195 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.908 -10.805 -8.177 1.00 0.00 H new ATOM 0 HG LEU A 17 3.989 -12.430 -10.186 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.486 -14.774 -9.620 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.095 -14.285 -9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.735 -14.407 -7.897 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.659 -13.123 -9.777 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.837 -12.691 -8.060 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.935 -11.428 -9.310 1.00 0.00 H new ATOM 372 N GLN A 26 11.675 -11.855 -7.831 1.00 0.00 N ATOM 373 CA GLN A 26 12.711 -10.832 -7.901 1.00 0.00 C ATOM 374 C GLN A 26 12.701 -9.961 -6.649 1.00 0.00 C ATOM 375 O GLN A 26 11.704 -9.308 -6.341 1.00 0.00 O ATOM 376 CB GLN A 26 12.514 -9.961 -9.143 1.00 0.00 C ATOM 377 CG GLN A 26 12.949 -10.636 -10.434 1.00 0.00 C ATOM 378 CD GLN A 26 12.966 -9.684 -11.613 1.00 0.00 C ATOM 379 OE1 GLN A 26 13.992 -9.510 -12.271 1.00 0.00 O ATOM 380 NE2 GLN A 26 11.826 -9.060 -11.888 1.00 0.00 N ATOM 0 HA GLN A 26 13.677 -11.333 -7.966 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.462 -9.688 -9.222 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.075 -9.035 -9.020 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.944 -11.060 -10.300 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.275 -11.465 -10.651 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.999 -9.233 -11.317 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.778 -8.407 -12.670 1.00 0.00 H new ATOM 389 N LYS A 27 13.818 -9.957 -5.929 1.00 0.00 N ATOM 390 CA LYS A 27 13.940 -9.166 -4.710 1.00 0.00 C ATOM 391 C LYS A 27 14.115 -7.686 -5.036 1.00 0.00 C ATOM 392 O LYS A 27 14.693 -7.332 -6.063 1.00 0.00 O ATOM 393 CB LYS A 27 15.124 -9.658 -3.875 1.00 0.00 C ATOM 394 CG LYS A 27 15.037 -9.271 -2.408 1.00 0.00 C ATOM 395 CD LYS A 27 16.244 -9.766 -1.628 1.00 0.00 C ATOM 396 CE LYS A 27 16.156 -11.259 -1.352 1.00 0.00 C ATOM 397 NZ LYS A 27 15.310 -11.553 -0.162 1.00 0.00 N ATOM 0 H LYS A 27 14.652 -10.493 -6.169 1.00 0.00 H new ATOM 0 HA LYS A 27 13.022 -9.287 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.186 -10.743 -3.953 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.046 -9.255 -4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.966 -8.187 -2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.127 -9.686 -1.975 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.154 -9.552 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.316 -9.224 -0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.745 -11.766 -2.225 1.00 0.00 H new ATOM 0 HE3 LYS A 27 17.158 -11.659 -1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.275 -12.581 -0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.716 -11.090 0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.347 -11.194 -0.323 1.00 0.00 H new ATOM 411 N ARG A 28 13.612 -6.828 -4.155 1.00 0.00 N ATOM 412 CA ARG A 28 13.713 -5.386 -4.350 1.00 0.00 C ATOM 413 C ARG A 28 13.435 -4.641 -3.048 1.00 0.00 C ATOM 414 O ARG A 28 12.473 -4.942 -2.342 1.00 0.00 O ATOM 415 CB ARG A 28 12.734 -4.927 -5.432 1.00 0.00 C ATOM 416 CG ARG A 28 13.317 -4.963 -6.836 1.00 0.00 C ATOM 417 CD ARG A 28 12.524 -4.084 -7.791 1.00 0.00 C ATOM 418 NE ARG A 28 12.893 -4.319 -9.184 1.00 0.00 N ATOM 419 CZ ARG A 28 12.639 -3.460 -10.166 1.00 0.00 C ATOM 420 NH1 ARG A 28 12.020 -2.317 -9.908 1.00 0.00 N ATOM 421 NH2 ARG A 28 13.006 -3.745 -11.409 1.00 0.00 N ATOM 0 H ARG A 28 13.131 -7.106 -3.300 1.00 0.00 H new ATOM 0 HA ARG A 28 14.730 -5.158 -4.669 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.847 -5.560 -5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.409 -3.911 -5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.354 -4.629 -6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.322 -5.989 -7.203 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.459 -4.276 -7.661 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.692 -3.036 -7.543 1.00 0.00 H new ATOM 0 HE ARG A 28 13.372 -5.189 -9.416 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.737 -2.094 -8.954 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.827 -1.660 -10.664 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.483 -4.624 -11.611 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.811 -3.086 -12.162 1.00 0.00 H new ATOM 435 N TRP A 29 14.284 -3.668 -2.738 1.00 0.00 N ATOM 436 CA TRP A 29 14.130 -2.879 -1.520 1.00 0.00 C ATOM 437 C TRP A 29 12.848 -2.056 -1.563 1.00 0.00 C ATOM 438 O TRP A 29 12.650 -1.244 -2.467 1.00 0.00 O ATOM 439 CB TRP A 29 15.336 -1.958 -1.328 1.00 0.00 C ATOM 440 CG TRP A 29 15.257 -1.127 -0.084 1.00 0.00 C ATOM 441 CD1 TRP A 29 15.127 0.231 -0.013 1.00 0.00 C ATOM 442 CD2 TRP A 29 15.305 -1.599 1.267 1.00 0.00 C ATOM 443 NE1 TRP A 29 15.091 0.631 1.301 1.00 0.00 N ATOM 444 CE2 TRP A 29 15.197 -0.473 2.106 1.00 0.00 C ATOM 445 CE3 TRP A 29 15.425 -2.863 1.849 1.00 0.00 C ATOM 446 CZ2 TRP A 29 15.208 -0.575 3.494 1.00 0.00 C ATOM 447 CZ3 TRP A 29 15.437 -2.964 3.227 1.00 0.00 C ATOM 448 CH2 TRP A 29 15.328 -1.826 4.037 1.00 0.00 C ATOM 0 H TRP A 29 15.085 -3.406 -3.312 1.00 0.00 H new ATOM 0 HA TRP A 29 14.070 -3.567 -0.677 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.243 -2.561 -1.296 1.00 0.00 H new ATOM 0 HB3 TRP A 29 15.422 -1.299 -2.192 1.00 0.00 H new ATOM 0 HD1 TRP A 29 15.062 0.893 -0.864 1.00 0.00 H new ATOM 0 HE1 TRP A 29 15.000 1.594 1.625 1.00 0.00 H new ATOM 0 HE3 TRP A 29 15.507 -3.746 1.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 15.125 0.301 4.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 15.532 -3.936 3.687 1.00 0.00 H new ATOM 0 HH2 TRP A 29 15.339 -1.938 5.111 1.00 0.00 H new ATOM 459 N VAL A 30 11.979 -2.269 -0.580 1.00 0.00 N ATOM 460 CA VAL A 30 10.716 -1.545 -0.506 1.00 0.00 C ATOM 461 C VAL A 30 10.660 -0.664 0.737 1.00 0.00 C ATOM 462 O VAL A 30 11.214 -1.007 1.781 1.00 0.00 O ATOM 463 CB VAL A 30 9.515 -2.511 -0.491 1.00 0.00 C ATOM 464 CG1 VAL A 30 8.212 -1.740 -0.351 1.00 0.00 C ATOM 465 CG2 VAL A 30 9.505 -3.367 -1.749 1.00 0.00 C ATOM 0 H VAL A 30 12.127 -2.937 0.176 1.00 0.00 H new ATOM 0 HA VAL A 30 10.658 -0.918 -1.396 1.00 0.00 H new ATOM 0 HB VAL A 30 9.613 -3.172 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.375 -2.438 -0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.222 -1.174 0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.103 -1.054 -1.191 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.651 -4.043 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.431 -2.724 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.426 -3.948 -1.801 1.00 0.00 H new ATOM 475 N LYS A 31 9.986 0.475 0.617 1.00 0.00 N ATOM 476 CA LYS A 31 9.855 1.408 1.731 1.00 0.00 C ATOM 477 C LYS A 31 8.507 2.120 1.689 1.00 0.00 C ATOM 478 O LYS A 31 8.008 2.462 0.617 1.00 0.00 O ATOM 479 CB LYS A 31 10.988 2.436 1.698 1.00 0.00 C ATOM 480 CG LYS A 31 10.930 3.442 2.834 1.00 0.00 C ATOM 481 CD LYS A 31 11.613 4.747 2.460 1.00 0.00 C ATOM 482 CE LYS A 31 11.420 5.805 3.535 1.00 0.00 C ATOM 483 NZ LYS A 31 12.500 5.760 4.558 1.00 0.00 N ATOM 0 H LYS A 31 9.522 0.775 -0.240 1.00 0.00 H new ATOM 0 HA LYS A 31 9.916 0.838 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.943 1.913 1.736 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.955 2.970 0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.890 3.637 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.408 3.021 3.719 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.678 4.571 2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.212 5.111 1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.398 6.792 3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.455 5.658 4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.332 6.497 5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.505 4.827 5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.419 5.925 4.100 1.00 0.00 H new ATOM 497 N PHE A 32 7.923 2.340 2.862 1.00 0.00 N ATOM 498 CA PHE A 32 6.632 3.012 2.958 1.00 0.00 C ATOM 499 C PHE A 32 6.694 4.169 3.951 1.00 0.00 C ATOM 500 O PHE A 32 7.312 4.059 5.011 1.00 0.00 O ATOM 501 CB PHE A 32 5.547 2.019 3.381 1.00 0.00 C ATOM 502 CG PHE A 32 4.167 2.613 3.404 1.00 0.00 C ATOM 503 CD1 PHE A 32 3.613 3.154 2.255 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.425 2.630 4.574 1.00 0.00 C ATOM 505 CE1 PHE A 32 2.344 3.701 2.273 1.00 0.00 C ATOM 506 CE2 PHE A 32 2.155 3.175 4.598 1.00 0.00 C ATOM 507 CZ PHE A 32 1.614 3.711 3.446 1.00 0.00 C ATOM 0 H PHE A 32 8.323 2.063 3.759 1.00 0.00 H new ATOM 0 HA PHE A 32 6.385 3.413 1.975 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.557 1.169 2.698 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.785 1.634 4.373 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.179 3.148 1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.844 2.213 5.478 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.923 4.120 1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.587 3.182 5.516 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.622 4.137 3.462 1.00 0.00 H new ATOM 517 N ASP A 33 6.051 5.277 3.601 1.00 0.00 N ATOM 518 CA ASP A 33 6.031 6.454 4.460 1.00 0.00 C ATOM 519 C ASP A 33 4.611 6.768 4.920 1.00 0.00 C ATOM 520 O ASP A 33 4.383 7.095 6.084 1.00 0.00 O ATOM 521 CB ASP A 33 6.620 7.659 3.724 1.00 0.00 C ATOM 522 CG ASP A 33 8.095 7.487 3.420 1.00 0.00 C ATOM 523 OD1 ASP A 33 8.446 6.519 2.713 1.00 0.00 O ATOM 524 OD2 ASP A 33 8.899 8.320 3.889 1.00 0.00 O ATOM 0 H ASP A 33 5.536 5.385 2.727 1.00 0.00 H new ATOM 0 HA ASP A 33 6.639 6.242 5.339 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.076 7.814 2.792 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.479 8.555 4.328 1.00 0.00 H new ATOM 529 N GLY A 34 3.660 6.668 3.997 1.00 0.00 N ATOM 530 CA GLY A 34 2.274 6.946 4.327 1.00 0.00 C ATOM 531 C GLY A 34 1.465 7.373 3.119 1.00 0.00 C ATOM 532 O GLY A 34 0.237 7.267 3.115 1.00 0.00 O ATOM 0 H GLY A 34 3.824 6.400 3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.823 6.056 4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.234 7.730 5.083 1.00 0.00 H new ATOM 536 N LEU A 35 2.151 7.860 2.092 1.00 0.00 N ATOM 537 CA LEU A 35 1.488 8.308 0.872 1.00 0.00 C ATOM 538 C LEU A 35 1.519 7.219 -0.196 1.00 0.00 C ATOM 539 O LEU A 35 0.489 6.874 -0.775 1.00 0.00 O ATOM 540 CB LEU A 35 2.156 9.578 0.341 1.00 0.00 C ATOM 541 CG LEU A 35 1.877 10.861 1.124 1.00 0.00 C ATOM 542 CD1 LEU A 35 2.851 11.001 2.284 1.00 0.00 C ATOM 543 CD2 LEU A 35 1.959 12.073 0.208 1.00 0.00 C ATOM 0 H LEU A 35 3.166 7.955 2.079 1.00 0.00 H new ATOM 0 HA LEU A 35 0.447 8.526 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.234 9.416 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.836 9.729 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 35 0.867 10.804 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.637 11.920 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.744 10.148 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.871 11.036 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.758 12.977 0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.957 12.134 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.221 11.977 -0.589 1.00 0.00 H new ATOM 555 N SER A 36 2.707 6.680 -0.449 1.00 0.00 N ATOM 556 CA SER A 36 2.873 5.630 -1.448 1.00 0.00 C ATOM 557 C SER A 36 4.086 4.763 -1.129 1.00 0.00 C ATOM 558 O SER A 36 4.924 5.128 -0.303 1.00 0.00 O ATOM 559 CB SER A 36 3.023 6.243 -2.842 1.00 0.00 C ATOM 560 OG SER A 36 3.919 7.341 -2.823 1.00 0.00 O ATOM 0 H SER A 36 3.569 6.953 0.024 1.00 0.00 H new ATOM 0 HA SER A 36 1.983 5.001 -1.429 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.385 5.486 -3.538 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.049 6.571 -3.205 1.00 0.00 H new ATOM 0 HG SER A 36 3.878 7.811 -3.682 1.00 0.00 H new ATOM 566 N ILE A 37 4.173 3.613 -1.788 1.00 0.00 N ATOM 567 CA ILE A 37 5.284 2.693 -1.576 1.00 0.00 C ATOM 568 C ILE A 37 6.336 2.839 -2.670 1.00 0.00 C ATOM 569 O ILE A 37 6.057 2.616 -3.848 1.00 0.00 O ATOM 570 CB ILE A 37 4.804 1.230 -1.533 1.00 0.00 C ATOM 571 CG1 ILE A 37 3.782 1.038 -0.411 1.00 0.00 C ATOM 572 CG2 ILE A 37 5.985 0.290 -1.348 1.00 0.00 C ATOM 573 CD1 ILE A 37 2.773 -0.054 -0.692 1.00 0.00 C ATOM 0 H ILE A 37 3.488 3.296 -2.473 1.00 0.00 H new ATOM 0 HA ILE A 37 5.726 2.950 -0.614 1.00 0.00 H new ATOM 0 HB ILE A 37 4.322 0.994 -2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.310 0.805 0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.253 1.977 -0.248 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.629 -0.740 -1.320 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.680 0.411 -2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.493 0.524 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.080 -0.134 0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.219 0.187 -1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.292 -1.003 -0.825 1.00 0.00 H new ATOM 585 N SER A 38 7.548 3.214 -2.272 1.00 0.00 N ATOM 586 CA SER A 38 8.642 3.392 -3.219 1.00 0.00 C ATOM 587 C SER A 38 9.712 2.322 -3.021 1.00 0.00 C ATOM 588 O SER A 38 10.289 2.198 -1.940 1.00 0.00 O ATOM 589 CB SER A 38 9.261 4.782 -3.060 1.00 0.00 C ATOM 590 OG SER A 38 8.476 5.767 -3.711 1.00 0.00 O ATOM 0 H SER A 38 7.797 3.400 -1.300 1.00 0.00 H new ATOM 0 HA SER A 38 8.237 3.295 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.350 5.025 -2.001 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.269 4.784 -3.474 1.00 0.00 H new ATOM 0 HG SER A 38 8.892 6.647 -3.593 1.00 0.00 H new ATOM 596 N TYR A 39 9.970 1.551 -4.071 1.00 0.00 N ATOM 597 CA TYR A 39 10.967 0.489 -4.013 1.00 0.00 C ATOM 598 C TYR A 39 12.112 0.764 -4.983 1.00 0.00 C ATOM 599 O TYR A 39 11.895 1.232 -6.101 1.00 0.00 O ATOM 600 CB TYR A 39 10.325 -0.861 -4.335 1.00 0.00 C ATOM 601 CG TYR A 39 9.556 -0.871 -5.637 1.00 0.00 C ATOM 602 CD1 TYR A 39 8.373 -0.155 -5.773 1.00 0.00 C ATOM 603 CD2 TYR A 39 10.012 -1.597 -6.730 1.00 0.00 C ATOM 604 CE1 TYR A 39 7.666 -0.162 -6.960 1.00 0.00 C ATOM 605 CE2 TYR A 39 9.313 -1.608 -7.922 1.00 0.00 C ATOM 606 CZ TYR A 39 8.141 -0.889 -8.032 1.00 0.00 C ATOM 607 OH TYR A 39 7.441 -0.899 -9.216 1.00 0.00 O ATOM 0 H TYR A 39 9.502 1.642 -4.973 1.00 0.00 H new ATOM 0 HA TYR A 39 11.370 0.459 -3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 39 11.103 -1.623 -4.377 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.652 -1.137 -3.523 1.00 0.00 H new ATOM 0 HD1 TYR A 39 8.000 0.417 -4.936 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.928 -2.162 -6.647 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.747 0.398 -7.048 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.682 -2.176 -8.763 1.00 0.00 H new ATOM 0 HH TYR A 39 7.911 -1.458 -9.869 1.00 0.00 H new ATOM 617 N TYR A 40 13.332 0.470 -4.547 1.00 0.00 N ATOM 618 CA TYR A 40 14.513 0.686 -5.375 1.00 0.00 C ATOM 619 C TYR A 40 15.375 -0.571 -5.433 1.00 0.00 C ATOM 620 O TYR A 40 15.435 -1.341 -4.476 1.00 0.00 O ATOM 621 CB TYR A 40 15.334 1.857 -4.832 1.00 0.00 C ATOM 622 CG TYR A 40 14.491 3.010 -4.336 1.00 0.00 C ATOM 623 CD1 TYR A 40 14.025 3.044 -3.028 1.00 0.00 C ATOM 624 CD2 TYR A 40 14.160 4.066 -5.176 1.00 0.00 C ATOM 625 CE1 TYR A 40 13.254 4.095 -2.571 1.00 0.00 C ATOM 626 CE2 TYR A 40 13.391 5.122 -4.728 1.00 0.00 C ATOM 627 CZ TYR A 40 12.940 5.131 -3.424 1.00 0.00 C ATOM 628 OH TYR A 40 12.173 6.181 -2.972 1.00 0.00 O ATOM 0 H TYR A 40 13.529 0.081 -3.625 1.00 0.00 H new ATOM 0 HA TYR A 40 14.179 0.922 -6.385 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.963 1.501 -4.016 1.00 0.00 H new ATOM 0 HB3 TYR A 40 16.001 2.216 -5.616 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.270 2.234 -2.356 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.510 4.061 -6.198 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.899 4.105 -1.551 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.144 5.936 -5.394 1.00 0.00 H new ATOM 0 HH TYR A 40 12.044 6.828 -3.697 1.00 0.00 H new ATOM 789 N GLY A 50 9.784 3.015 -10.311 1.00 0.00 N ATOM 790 CA GLY A 50 8.509 2.382 -10.026 1.00 0.00 C ATOM 791 C GLY A 50 7.975 2.745 -8.655 1.00 0.00 C ATOM 792 O GLY A 50 8.725 2.780 -7.679 1.00 0.00 O ATOM 0 HA2 GLY A 50 7.783 2.676 -10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.621 1.300 -10.094 1.00 0.00 H new ATOM 796 N ILE A 51 6.676 3.016 -8.581 1.00 0.00 N ATOM 797 CA ILE A 51 6.043 3.379 -7.319 1.00 0.00 C ATOM 798 C ILE A 51 4.581 2.947 -7.294 1.00 0.00 C ATOM 799 O ILE A 51 3.921 2.894 -8.332 1.00 0.00 O ATOM 800 CB ILE A 51 6.123 4.895 -7.064 1.00 0.00 C ATOM 801 CG1 ILE A 51 5.813 5.205 -5.598 1.00 0.00 C ATOM 802 CG2 ILE A 51 5.165 5.638 -7.983 1.00 0.00 C ATOM 803 CD1 ILE A 51 6.043 6.653 -5.225 1.00 0.00 C ATOM 0 H ILE A 51 6.042 2.991 -9.380 1.00 0.00 H new ATOM 0 HA ILE A 51 6.587 2.858 -6.532 1.00 0.00 H new ATOM 0 HB ILE A 51 7.137 5.232 -7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.775 4.946 -5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.432 4.572 -4.962 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.233 6.709 -7.791 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.429 5.438 -9.022 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.146 5.300 -7.796 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.803 6.800 -4.172 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.087 6.912 -5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.404 7.292 -5.835 1.00 0.00 H new ATOM 815 N ILE A 52 4.081 2.640 -6.101 1.00 0.00 N ATOM 816 CA ILE A 52 2.696 2.216 -5.941 1.00 0.00 C ATOM 817 C ILE A 52 1.918 3.196 -5.068 1.00 0.00 C ATOM 818 O ILE A 52 2.168 3.333 -3.871 1.00 0.00 O ATOM 819 CB ILE A 52 2.606 0.810 -5.319 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.343 -0.206 -6.194 1.00 0.00 C ATOM 821 CG2 ILE A 52 1.152 0.404 -5.135 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.771 -1.449 -5.446 1.00 0.00 C ATOM 0 H ILE A 52 4.614 2.677 -5.232 1.00 0.00 H new ATOM 0 HA ILE A 52 2.256 2.193 -6.938 1.00 0.00 H new ATOM 0 HB ILE A 52 3.083 0.831 -4.339 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.698 -0.495 -7.023 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.223 0.270 -6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.105 -0.592 -4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.656 1.116 -4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.651 0.396 -6.103 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.287 -2.125 -6.128 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.442 -1.172 -4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.893 -1.948 -5.037 1.00 0.00 H new ATOM 834 N PRO A 53 0.950 3.894 -5.681 1.00 0.00 N ATOM 835 CA PRO A 53 0.114 4.872 -4.979 1.00 0.00 C ATOM 836 C PRO A 53 -0.848 4.213 -3.996 1.00 0.00 C ATOM 837 O PRO A 53 -1.435 3.171 -4.290 1.00 0.00 O ATOM 838 CB PRO A 53 -0.660 5.554 -6.110 1.00 0.00 C ATOM 839 CG PRO A 53 -0.694 4.546 -7.207 1.00 0.00 C ATOM 840 CD PRO A 53 0.597 3.782 -7.106 1.00 0.00 C ATOM 0 HA PRO A 53 0.709 5.559 -4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.666 5.828 -5.792 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.166 6.471 -6.430 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.551 3.881 -7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.786 5.030 -8.179 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.473 2.742 -7.409 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.368 4.210 -7.746 1.00 0.00 H new ATOM 848 N LEU A 54 -1.005 4.827 -2.828 1.00 0.00 N ATOM 849 CA LEU A 54 -1.897 4.299 -1.801 1.00 0.00 C ATOM 850 C LEU A 54 -3.326 4.193 -2.324 1.00 0.00 C ATOM 851 O LEU A 54 -4.070 3.288 -1.946 1.00 0.00 O ATOM 852 CB LEU A 54 -1.861 5.192 -0.560 1.00 0.00 C ATOM 853 CG LEU A 54 -2.928 4.911 0.500 1.00 0.00 C ATOM 854 CD1 LEU A 54 -2.635 3.604 1.220 1.00 0.00 C ATOM 855 CD2 LEU A 54 -3.010 6.062 1.492 1.00 0.00 C ATOM 0 H LEU A 54 -0.527 5.690 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.553 3.300 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.880 5.094 -0.095 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.960 6.229 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.893 4.818 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.405 3.421 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.628 2.786 0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.662 3.667 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.774 5.845 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.046 6.187 1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.269 6.980 0.964 1.00 0.00 H new ATOM 867 N SER A 55 -3.703 5.122 -3.197 1.00 0.00 N ATOM 868 CA SER A 55 -5.043 5.134 -3.770 1.00 0.00 C ATOM 869 C SER A 55 -5.290 3.877 -4.599 1.00 0.00 C ATOM 870 O SER A 55 -6.396 3.337 -4.613 1.00 0.00 O ATOM 871 CB SER A 55 -5.238 6.378 -4.639 1.00 0.00 C ATOM 872 OG SER A 55 -4.434 6.317 -5.804 1.00 0.00 O ATOM 0 H SER A 55 -3.099 5.876 -3.523 1.00 0.00 H new ATOM 0 HA SER A 55 -5.762 5.156 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.287 6.467 -4.921 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.985 7.270 -4.065 1.00 0.00 H new ATOM 0 HG SER A 55 -4.578 7.122 -6.343 1.00 0.00 H new ATOM 878 N ALA A 56 -4.252 3.417 -5.290 1.00 0.00 N ATOM 879 CA ALA A 56 -4.354 2.223 -6.120 1.00 0.00 C ATOM 880 C ALA A 56 -4.805 1.021 -5.298 1.00 0.00 C ATOM 881 O ALA A 56 -5.700 0.279 -5.706 1.00 0.00 O ATOM 882 CB ALA A 56 -3.022 1.934 -6.795 1.00 0.00 C ATOM 0 H ALA A 56 -3.330 3.854 -5.291 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.105 2.407 -6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.113 1.040 -7.412 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.741 2.780 -7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.256 1.775 -6.036 1.00 0.00 H new ATOM 888 N ILE A 57 -4.181 0.833 -4.140 1.00 0.00 N ATOM 889 CA ILE A 57 -4.520 -0.280 -3.262 1.00 0.00 C ATOM 890 C ILE A 57 -6.022 -0.340 -3.004 1.00 0.00 C ATOM 891 O ILE A 57 -6.533 0.316 -2.097 1.00 0.00 O ATOM 892 CB ILE A 57 -3.783 -0.177 -1.914 1.00 0.00 C ATOM 893 CG1 ILE A 57 -2.269 -0.193 -2.133 1.00 0.00 C ATOM 894 CG2 ILE A 57 -4.202 -1.314 -0.993 1.00 0.00 C ATOM 895 CD1 ILE A 57 -1.475 0.141 -0.889 1.00 0.00 C ATOM 0 H ILE A 57 -3.438 1.437 -3.788 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.205 -1.191 -3.771 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.053 0.767 -1.441 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.972 -1.179 -2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.016 0.520 -2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.673 -1.228 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.276 -1.261 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.958 -2.269 -1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.410 0.111 -1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.744 1.139 -0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.699 -0.586 -0.108 1.00 0.00 H new ATOM 907 N SER A 58 -6.723 -1.133 -3.808 1.00 0.00 N ATOM 908 CA SER A 58 -8.167 -1.278 -3.669 1.00 0.00 C ATOM 909 C SER A 58 -8.517 -2.034 -2.391 1.00 0.00 C ATOM 910 O SER A 58 -9.367 -1.603 -1.612 1.00 0.00 O ATOM 911 CB SER A 58 -8.747 -2.007 -4.882 1.00 0.00 C ATOM 912 OG SER A 58 -10.081 -1.598 -5.134 1.00 0.00 O ATOM 0 H SER A 58 -6.314 -1.685 -4.562 1.00 0.00 H new ATOM 0 HA SER A 58 -8.603 -0.281 -3.611 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.131 -1.808 -5.759 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.720 -3.083 -4.711 1.00 0.00 H new ATOM 0 HG SER A 58 -10.428 -2.077 -5.915 1.00 0.00 H new ATOM 918 N THR A 59 -7.854 -3.168 -2.182 1.00 0.00 N ATOM 919 CA THR A 59 -8.093 -3.986 -1.000 1.00 0.00 C ATOM 920 C THR A 59 -6.952 -4.971 -0.773 1.00 0.00 C ATOM 921 O THR A 59 -6.336 -5.453 -1.723 1.00 0.00 O ATOM 922 CB THR A 59 -9.415 -4.768 -1.118 1.00 0.00 C ATOM 923 OG1 THR A 59 -9.776 -5.314 0.156 1.00 0.00 O ATOM 924 CG2 THR A 59 -9.292 -5.889 -2.139 1.00 0.00 C ATOM 0 H THR A 59 -7.147 -3.540 -2.817 1.00 0.00 H new ATOM 0 HA THR A 59 -8.155 -3.305 -0.151 1.00 0.00 H new ATOM 0 HB THR A 59 -10.191 -4.079 -1.451 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.618 -5.808 0.073 1.00 0.00 H new ATOM 0 HG21 THR A 59 -10.238 -6.427 -2.205 1.00 0.00 H new ATOM 0 HG22 THR A 59 -9.046 -5.468 -3.114 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.504 -6.577 -1.831 1.00 0.00 H new ATOM 932 N VAL A 60 -6.675 -5.267 0.493 1.00 0.00 N ATOM 933 CA VAL A 60 -5.608 -6.196 0.845 1.00 0.00 C ATOM 934 C VAL A 60 -6.174 -7.489 1.421 1.00 0.00 C ATOM 935 O VAL A 60 -7.094 -7.467 2.239 1.00 0.00 O ATOM 936 CB VAL A 60 -4.637 -5.575 1.867 1.00 0.00 C ATOM 937 CG1 VAL A 60 -3.517 -6.548 2.199 1.00 0.00 C ATOM 938 CG2 VAL A 60 -4.076 -4.263 1.338 1.00 0.00 C ATOM 0 H VAL A 60 -7.175 -4.877 1.292 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.065 -6.417 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.187 -5.365 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.841 -6.092 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.940 -7.459 2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.966 -6.792 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.392 -3.837 2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.541 -4.446 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.893 -3.565 1.156 1.00 0.00 H new ATOM 948 N ARG A 61 -5.618 -8.616 0.988 1.00 0.00 N ATOM 949 CA ARG A 61 -6.067 -9.920 1.459 1.00 0.00 C ATOM 950 C ARG A 61 -4.905 -10.906 1.521 1.00 0.00 C ATOM 951 O ARG A 61 -4.244 -11.168 0.516 1.00 0.00 O ATOM 952 CB ARG A 61 -7.165 -10.467 0.544 1.00 0.00 C ATOM 953 CG ARG A 61 -6.822 -10.384 -0.935 1.00 0.00 C ATOM 954 CD ARG A 61 -8.043 -10.637 -1.805 1.00 0.00 C ATOM 955 NE ARG A 61 -9.100 -9.658 -1.562 1.00 0.00 N ATOM 956 CZ ARG A 61 -10.041 -9.807 -0.636 1.00 0.00 C ATOM 957 NH1 ARG A 61 -10.056 -10.889 0.131 1.00 0.00 N ATOM 958 NH2 ARG A 61 -10.969 -8.872 -0.475 1.00 0.00 N ATOM 0 H ARG A 61 -4.856 -8.652 0.311 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.469 -9.795 2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.360 -11.507 0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.087 -9.915 0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.411 -9.400 -1.160 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.048 -11.114 -1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.753 -10.604 -2.855 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.425 -11.639 -1.611 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.116 -8.814 -2.135 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.344 -11.609 0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.780 -11.001 0.841 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.960 -8.038 -1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.691 -8.987 0.236 1.00 0.00 H new ATOM 972 N VAL A 62 -4.660 -11.451 2.709 1.00 0.00 N ATOM 973 CA VAL A 62 -3.577 -12.408 2.903 1.00 0.00 C ATOM 974 C VAL A 62 -3.842 -13.699 2.137 1.00 0.00 C ATOM 975 O VAL A 62 -4.992 -14.055 1.881 1.00 0.00 O ATOM 976 CB VAL A 62 -3.382 -12.740 4.394 1.00 0.00 C ATOM 977 CG1 VAL A 62 -3.062 -11.480 5.184 1.00 0.00 C ATOM 978 CG2 VAL A 62 -4.617 -13.430 4.953 1.00 0.00 C ATOM 0 H VAL A 62 -5.197 -11.246 3.551 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.669 -11.941 2.521 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.538 -13.424 4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.928 -11.734 6.235 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.146 -11.032 4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.883 -10.770 5.084 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.461 -13.657 6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.480 -12.773 4.847 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.796 -14.355 4.405 1.00 0.00 H new ATOM 988 N GLN A 63 -2.770 -14.396 1.774 1.00 0.00 N ATOM 989 CA GLN A 63 -2.887 -15.649 1.037 1.00 0.00 C ATOM 990 C GLN A 63 -2.440 -16.829 1.894 1.00 0.00 C ATOM 991 O GLN A 63 -1.770 -16.652 2.910 1.00 0.00 O ATOM 992 CB GLN A 63 -2.055 -15.590 -0.245 1.00 0.00 C ATOM 993 CG GLN A 63 -2.584 -16.484 -1.355 1.00 0.00 C ATOM 994 CD GLN A 63 -1.787 -16.355 -2.638 1.00 0.00 C ATOM 995 OE1 GLN A 63 -0.789 -17.049 -2.835 1.00 0.00 O ATOM 996 NE2 GLN A 63 -2.224 -15.463 -3.520 1.00 0.00 N ATOM 0 H GLN A 63 -1.811 -14.114 1.978 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.936 -15.791 0.775 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.025 -14.561 -0.602 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.029 -15.878 -0.016 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.563 -17.522 -1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.626 -16.233 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -3.056 -14.909 -3.316 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.728 -15.332 -4.402 1.00 0.00 H new ATOM 1005 N GLY A 64 -2.817 -18.034 1.476 1.00 0.00 N ATOM 1006 CA GLY A 64 -2.446 -19.225 2.217 1.00 0.00 C ATOM 1007 C GLY A 64 -1.061 -19.122 2.824 1.00 0.00 C ATOM 1008 O GLY A 64 -0.918 -18.891 4.025 1.00 0.00 O ATOM 0 H GLY A 64 -3.372 -18.206 0.638 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.175 -19.398 3.009 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.485 -20.089 1.554 1.00 0.00 H new ATOM 1012 N ASP A 65 -0.038 -19.296 1.994 1.00 0.00 N ATOM 1013 CA ASP A 65 1.343 -19.222 2.456 1.00 0.00 C ATOM 1014 C ASP A 65 1.612 -17.894 3.156 1.00 0.00 C ATOM 1015 O ASP A 65 0.706 -17.080 3.333 1.00 0.00 O ATOM 1016 CB ASP A 65 2.306 -19.398 1.281 1.00 0.00 C ATOM 1017 CG ASP A 65 2.371 -20.832 0.795 1.00 0.00 C ATOM 1018 OD1 ASP A 65 2.275 -21.750 1.638 1.00 0.00 O ATOM 1019 OD2 ASP A 65 2.518 -21.038 -0.428 1.00 0.00 O ATOM 0 H ASP A 65 -0.139 -19.489 0.998 1.00 0.00 H new ATOM 0 HA ASP A 65 1.504 -20.028 3.172 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.994 -18.753 0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.303 -19.073 1.580 1.00 0.00 H new ATOM 1024 N ASN A 66 2.862 -17.682 3.553 1.00 0.00 N ATOM 1025 CA ASN A 66 3.250 -16.453 4.236 1.00 0.00 C ATOM 1026 C ASN A 66 3.367 -15.296 3.248 1.00 0.00 C ATOM 1027 O ASN A 66 4.368 -14.581 3.228 1.00 0.00 O ATOM 1028 CB ASN A 66 4.579 -16.649 4.968 1.00 0.00 C ATOM 1029 CG ASN A 66 4.548 -17.833 5.915 1.00 0.00 C ATOM 1030 OD1 ASN A 66 3.721 -17.892 6.826 1.00 0.00 O ATOM 1031 ND2 ASN A 66 5.451 -18.783 5.704 1.00 0.00 N ATOM 0 H ASN A 66 3.624 -18.345 3.414 1.00 0.00 H new ATOM 0 HA ASN A 66 2.475 -16.211 4.963 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.375 -16.792 4.238 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.819 -15.745 5.528 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.479 -19.604 6.309 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.117 -18.692 4.937 1.00 0.00 H new ATOM 1038 N LYS A 67 2.335 -15.117 2.430 1.00 0.00 N ATOM 1039 CA LYS A 67 2.319 -14.047 1.440 1.00 0.00 C ATOM 1040 C LYS A 67 0.961 -13.352 1.412 1.00 0.00 C ATOM 1041 O LYS A 67 0.001 -13.819 2.025 1.00 0.00 O ATOM 1042 CB LYS A 67 2.649 -14.602 0.053 1.00 0.00 C ATOM 1043 CG LYS A 67 4.006 -15.280 -0.024 1.00 0.00 C ATOM 1044 CD LYS A 67 4.189 -16.013 -1.343 1.00 0.00 C ATOM 1045 CE LYS A 67 3.457 -17.346 -1.345 1.00 0.00 C ATOM 1046 NZ LYS A 67 2.027 -17.193 -1.730 1.00 0.00 N ATOM 0 H LYS A 67 1.498 -15.700 2.433 1.00 0.00 H new ATOM 0 HA LYS A 67 3.076 -13.315 1.721 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.878 -15.317 -0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.617 -13.788 -0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.793 -14.535 0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.110 -15.984 0.802 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.820 -15.393 -2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.251 -16.179 -1.524 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.948 -18.029 -2.038 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.520 -17.796 -0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.752 -17.972 -2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.433 -17.214 -0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.895 -16.286 -2.221 1.00 0.00 H new ATOM 1060 N PHE A 68 0.888 -12.236 0.695 1.00 0.00 N ATOM 1061 CA PHE A 68 -0.353 -11.477 0.586 1.00 0.00 C ATOM 1062 C PHE A 68 -0.561 -10.977 -0.841 1.00 0.00 C ATOM 1063 O PHE A 68 0.376 -10.933 -1.636 1.00 0.00 O ATOM 1064 CB PHE A 68 -0.339 -10.294 1.556 1.00 0.00 C ATOM 1065 CG PHE A 68 0.816 -9.358 1.343 1.00 0.00 C ATOM 1066 CD1 PHE A 68 2.070 -9.658 1.851 1.00 0.00 C ATOM 1067 CD2 PHE A 68 0.648 -8.178 0.636 1.00 0.00 C ATOM 1068 CE1 PHE A 68 3.136 -8.799 1.656 1.00 0.00 C ATOM 1069 CE2 PHE A 68 1.710 -7.316 0.439 1.00 0.00 C ATOM 1070 CZ PHE A 68 2.955 -7.626 0.950 1.00 0.00 C ATOM 0 H PHE A 68 1.673 -11.837 0.181 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.179 -12.140 0.844 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.271 -9.738 1.452 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.306 -10.672 2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.216 -10.573 2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.323 -7.929 0.235 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.109 -9.045 2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.566 -6.400 -0.115 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.785 -6.952 0.798 1.00 0.00 H new ATOM 1080 N GLU A 69 -1.798 -10.604 -1.156 1.00 0.00 N ATOM 1081 CA GLU A 69 -2.130 -10.108 -2.486 1.00 0.00 C ATOM 1082 C GLU A 69 -2.573 -8.649 -2.429 1.00 0.00 C ATOM 1083 O GLU A 69 -3.546 -8.310 -1.755 1.00 0.00 O ATOM 1084 CB GLU A 69 -3.233 -10.964 -3.113 1.00 0.00 C ATOM 1085 CG GLU A 69 -3.253 -10.916 -4.631 1.00 0.00 C ATOM 1086 CD GLU A 69 -4.519 -11.509 -5.217 1.00 0.00 C ATOM 1087 OE1 GLU A 69 -4.554 -12.738 -5.432 1.00 0.00 O ATOM 1088 OE2 GLU A 69 -5.475 -10.743 -5.461 1.00 0.00 O ATOM 0 H GLU A 69 -2.586 -10.636 -0.509 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.234 -10.173 -3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.105 -11.998 -2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.199 -10.630 -2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.155 -9.881 -4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.390 -11.456 -5.019 1.00 0.00 H new ATOM 1095 N VAL A 70 -1.852 -7.789 -3.141 1.00 0.00 N ATOM 1096 CA VAL A 70 -2.170 -6.367 -3.172 1.00 0.00 C ATOM 1097 C VAL A 70 -2.959 -6.008 -4.426 1.00 0.00 C ATOM 1098 O VAL A 70 -2.394 -5.878 -5.512 1.00 0.00 O ATOM 1099 CB VAL A 70 -0.894 -5.505 -3.117 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -1.243 -4.028 -3.210 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -0.110 -5.796 -1.846 1.00 0.00 C ATOM 0 H VAL A 70 -1.043 -8.053 -3.704 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.778 -6.159 -2.292 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.267 -5.760 -3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.329 -3.435 -3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.760 -3.835 -4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.891 -3.754 -2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.788 -5.179 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.728 -5.569 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.173 -6.849 -1.826 1.00 0.00 H new ATOM 1111 N VAL A 71 -4.269 -5.847 -4.269 1.00 0.00 N ATOM 1112 CA VAL A 71 -5.136 -5.501 -5.388 1.00 0.00 C ATOM 1113 C VAL A 71 -5.058 -4.011 -5.704 1.00 0.00 C ATOM 1114 O VAL A 71 -5.398 -3.169 -4.872 1.00 0.00 O ATOM 1115 CB VAL A 71 -6.602 -5.877 -5.100 1.00 0.00 C ATOM 1116 CG1 VAL A 71 -7.487 -5.527 -6.287 1.00 0.00 C ATOM 1117 CG2 VAL A 71 -6.715 -7.354 -4.758 1.00 0.00 C ATOM 0 H VAL A 71 -4.753 -5.951 -3.377 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.785 -6.071 -6.248 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.944 -5.301 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.519 -5.800 -6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.429 -4.456 -6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.149 -6.074 -7.167 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.757 -7.602 -4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.355 -7.950 -5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.114 -7.570 -3.875 1.00 0.00 H new ATOM 1127 N THR A 72 -4.607 -3.691 -6.913 1.00 0.00 N ATOM 1128 CA THR A 72 -4.483 -2.303 -7.340 1.00 0.00 C ATOM 1129 C THR A 72 -5.453 -1.987 -8.473 1.00 0.00 C ATOM 1130 O THR A 72 -6.142 -2.873 -8.980 1.00 0.00 O ATOM 1131 CB THR A 72 -3.049 -1.984 -7.803 1.00 0.00 C ATOM 1132 OG1 THR A 72 -2.720 -2.768 -8.955 1.00 0.00 O ATOM 1133 CG2 THR A 72 -2.047 -2.260 -6.693 1.00 0.00 C ATOM 0 H THR A 72 -4.321 -4.375 -7.614 1.00 0.00 H new ATOM 0 HA THR A 72 -4.724 -1.684 -6.476 1.00 0.00 H new ATOM 0 HB THR A 72 -3.001 -0.925 -8.059 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.748 -2.885 -9.004 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.042 -2.027 -7.044 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.282 -1.640 -5.828 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.098 -3.311 -6.410 1.00 0.00 H new ATOM 1141 N THR A 73 -5.503 -0.718 -8.867 1.00 0.00 N ATOM 1142 CA THR A 73 -6.389 -0.285 -9.940 1.00 0.00 C ATOM 1143 C THR A 73 -5.854 -0.714 -11.301 1.00 0.00 C ATOM 1144 O THR A 73 -6.620 -0.914 -12.243 1.00 0.00 O ATOM 1145 CB THR A 73 -6.575 1.244 -9.932 1.00 0.00 C ATOM 1146 OG1 THR A 73 -7.124 1.664 -8.678 1.00 0.00 O ATOM 1147 CG2 THR A 73 -7.491 1.683 -11.064 1.00 0.00 C ATOM 0 H THR A 73 -4.940 0.028 -8.459 1.00 0.00 H new ATOM 0 HA THR A 73 -7.354 -0.762 -9.766 1.00 0.00 H new ATOM 0 HB THR A 73 -5.599 1.708 -10.075 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.238 2.637 -8.680 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.608 2.766 -11.038 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.057 1.387 -12.019 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.466 1.210 -10.947 1.00 0.00 H new ATOM 1155 N GLN A 74 -4.536 -0.852 -11.397 1.00 0.00 N ATOM 1156 CA GLN A 74 -3.899 -1.257 -12.645 1.00 0.00 C ATOM 1157 C GLN A 74 -3.913 -2.775 -12.796 1.00 0.00 C ATOM 1158 O GLN A 74 -4.699 -3.324 -13.567 1.00 0.00 O ATOM 1159 CB GLN A 74 -2.461 -0.740 -12.699 1.00 0.00 C ATOM 1160 CG GLN A 74 -2.340 0.665 -13.265 1.00 0.00 C ATOM 1161 CD GLN A 74 -2.581 0.715 -14.761 1.00 0.00 C ATOM 1162 OE1 GLN A 74 -1.797 0.181 -15.546 1.00 0.00 O ATOM 1163 NE2 GLN A 74 -3.671 1.358 -15.164 1.00 0.00 N ATOM 0 H GLN A 74 -3.888 -0.689 -10.626 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.464 -0.823 -13.470 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.040 -0.755 -11.693 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.862 -1.420 -13.305 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.055 1.317 -12.764 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.346 1.056 -13.048 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.293 1.786 -14.479 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.886 1.424 -16.159 1.00 0.00 H new ATOM 1172 N ARG A 75 -3.038 -3.446 -12.054 1.00 0.00 N ATOM 1173 CA ARG A 75 -2.949 -4.900 -12.107 1.00 0.00 C ATOM 1174 C ARG A 75 -2.588 -5.473 -10.739 1.00 0.00 C ATOM 1175 O ARG A 75 -1.557 -5.127 -10.162 1.00 0.00 O ATOM 1176 CB ARG A 75 -1.909 -5.331 -13.143 1.00 0.00 C ATOM 1177 CG ARG A 75 -2.369 -5.150 -14.580 1.00 0.00 C ATOM 1178 CD ARG A 75 -1.966 -3.789 -15.126 1.00 0.00 C ATOM 1179 NE ARG A 75 -1.981 -3.758 -16.586 1.00 0.00 N ATOM 1180 CZ ARG A 75 -1.057 -4.341 -17.342 1.00 0.00 C ATOM 1181 NH1 ARG A 75 -0.051 -4.996 -16.779 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -1.139 -4.270 -18.665 1.00 0.00 N ATOM 0 H ARG A 75 -2.381 -3.006 -11.409 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.925 -5.288 -12.398 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.995 -4.757 -12.988 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.659 -6.379 -12.980 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.939 -5.935 -15.202 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.452 -5.258 -14.633 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.645 -3.028 -14.740 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.968 -3.536 -14.768 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.742 -3.262 -17.050 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.015 -5.053 -15.763 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.657 -5.443 -17.362 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.912 -3.768 -19.102 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.429 -4.718 -19.245 1.00 0.00 H new ATOM 1196 N THR A 76 -3.445 -6.350 -10.226 1.00 0.00 N ATOM 1197 CA THR A 76 -3.218 -6.969 -8.926 1.00 0.00 C ATOM 1198 C THR A 76 -1.794 -7.502 -8.812 1.00 0.00 C ATOM 1199 O THR A 76 -1.330 -8.249 -9.674 1.00 0.00 O ATOM 1200 CB THR A 76 -4.208 -8.122 -8.673 1.00 0.00 C ATOM 1201 OG1 THR A 76 -5.553 -7.639 -8.755 1.00 0.00 O ATOM 1202 CG2 THR A 76 -3.971 -8.748 -7.306 1.00 0.00 C ATOM 0 H THR A 76 -4.303 -6.648 -10.691 1.00 0.00 H new ATOM 0 HA THR A 76 -3.374 -6.195 -8.175 1.00 0.00 H new ATOM 0 HB THR A 76 -4.049 -8.883 -9.437 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.176 -8.378 -8.595 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.681 -9.560 -7.149 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.955 -9.140 -7.257 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.106 -7.993 -6.532 1.00 0.00 H new ATOM 1210 N PHE A 77 -1.106 -7.115 -7.744 1.00 0.00 N ATOM 1211 CA PHE A 77 0.266 -7.554 -7.517 1.00 0.00 C ATOM 1212 C PHE A 77 0.337 -8.539 -6.354 1.00 0.00 C ATOM 1213 O PHE A 77 -0.597 -8.646 -5.558 1.00 0.00 O ATOM 1214 CB PHE A 77 1.170 -6.351 -7.238 1.00 0.00 C ATOM 1215 CG PHE A 77 1.035 -5.252 -8.252 1.00 0.00 C ATOM 1216 CD1 PHE A 77 1.244 -5.504 -9.599 1.00 0.00 C ATOM 1217 CD2 PHE A 77 0.698 -3.967 -7.860 1.00 0.00 C ATOM 1218 CE1 PHE A 77 1.122 -4.494 -10.534 1.00 0.00 C ATOM 1219 CE2 PHE A 77 0.574 -2.953 -8.791 1.00 0.00 C ATOM 1220 CZ PHE A 77 0.785 -3.217 -10.130 1.00 0.00 C ATOM 0 H PHE A 77 -1.476 -6.498 -7.021 1.00 0.00 H new ATOM 0 HA PHE A 77 0.613 -8.059 -8.419 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.938 -5.953 -6.250 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.207 -6.685 -7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.505 -6.501 -9.921 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.530 -3.755 -6.814 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.290 -4.703 -11.580 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.312 -1.955 -8.472 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.687 -2.427 -10.860 1.00 0.00 H new ATOM 1230 N VAL A 78 1.451 -9.257 -6.261 1.00 0.00 N ATOM 1231 CA VAL A 78 1.646 -10.233 -5.195 1.00 0.00 C ATOM 1232 C VAL A 78 3.022 -10.083 -4.557 1.00 0.00 C ATOM 1233 O VAL A 78 4.046 -10.191 -5.232 1.00 0.00 O ATOM 1234 CB VAL A 78 1.488 -11.673 -5.717 1.00 0.00 C ATOM 1235 CG1 VAL A 78 1.732 -12.676 -4.600 1.00 0.00 C ATOM 1236 CG2 VAL A 78 0.109 -11.869 -6.329 1.00 0.00 C ATOM 0 H VAL A 78 2.233 -9.181 -6.911 1.00 0.00 H new ATOM 0 HA VAL A 78 0.879 -10.040 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 78 2.233 -11.843 -6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.616 -13.688 -4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.743 -12.550 -4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.012 -12.510 -3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.014 -12.892 -6.693 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.654 -11.680 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.023 -11.175 -7.159 1.00 0.00 H new ATOM 1246 N PHE A 79 3.039 -9.835 -3.252 1.00 0.00 N ATOM 1247 CA PHE A 79 4.291 -9.670 -2.522 1.00 0.00 C ATOM 1248 C PHE A 79 4.540 -10.856 -1.594 1.00 0.00 C ATOM 1249 O PHE A 79 3.612 -11.581 -1.235 1.00 0.00 O ATOM 1250 CB PHE A 79 4.266 -8.371 -1.713 1.00 0.00 C ATOM 1251 CG PHE A 79 4.594 -7.152 -2.526 1.00 0.00 C ATOM 1252 CD1 PHE A 79 5.868 -6.967 -3.040 1.00 0.00 C ATOM 1253 CD2 PHE A 79 3.629 -6.190 -2.777 1.00 0.00 C ATOM 1254 CE1 PHE A 79 6.173 -5.847 -3.789 1.00 0.00 C ATOM 1255 CE2 PHE A 79 3.928 -5.068 -3.526 1.00 0.00 C ATOM 1256 CZ PHE A 79 5.201 -4.895 -4.032 1.00 0.00 C ATOM 0 H PHE A 79 2.201 -9.744 -2.678 1.00 0.00 H new ATOM 0 HA PHE A 79 5.103 -9.623 -3.248 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.278 -8.247 -1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.976 -8.451 -0.890 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.631 -7.708 -2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.632 -6.319 -2.383 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.170 -5.716 -4.184 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.166 -4.326 -3.716 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.437 -4.018 -4.616 1.00 0.00 H new ATOM 1266 N ARG A 80 5.798 -11.046 -1.211 1.00 0.00 N ATOM 1267 CA ARG A 80 6.170 -12.144 -0.327 1.00 0.00 C ATOM 1268 C ARG A 80 6.998 -11.637 0.850 1.00 0.00 C ATOM 1269 O ARG A 80 7.749 -10.670 0.724 1.00 0.00 O ATOM 1270 CB ARG A 80 6.956 -13.204 -1.099 1.00 0.00 C ATOM 1271 CG ARG A 80 7.598 -14.255 -0.208 1.00 0.00 C ATOM 1272 CD ARG A 80 8.021 -15.479 -1.006 1.00 0.00 C ATOM 1273 NE ARG A 80 9.191 -15.211 -1.839 1.00 0.00 N ATOM 1274 CZ ARG A 80 10.429 -15.134 -1.365 1.00 0.00 C ATOM 1275 NH1 ARG A 80 10.658 -15.305 -0.070 1.00 0.00 N ATOM 1276 NH2 ARG A 80 11.441 -14.887 -2.186 1.00 0.00 N ATOM 0 H ARG A 80 6.577 -10.454 -1.499 1.00 0.00 H new ATOM 0 HA ARG A 80 5.255 -12.592 0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.288 -13.697 -1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.733 -12.713 -1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.467 -13.828 0.293 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.895 -14.552 0.571 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.243 -16.299 -0.323 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.194 -15.804 -1.637 1.00 0.00 H new ATOM 0 HE ARG A 80 9.049 -15.076 -2.840 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.882 -15.496 0.564 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.610 -15.245 0.292 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.269 -14.756 -3.183 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.391 -14.828 -1.821 1.00 0.00 H new ATOM 1290 N VAL A 81 6.856 -12.297 1.995 1.00 0.00 N ATOM 1291 CA VAL A 81 7.591 -11.915 3.195 1.00 0.00 C ATOM 1292 C VAL A 81 8.511 -13.039 3.658 1.00 0.00 C ATOM 1293 O VAL A 81 8.481 -14.142 3.112 1.00 0.00 O ATOM 1294 CB VAL A 81 6.635 -11.542 4.344 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.967 -10.203 4.071 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.596 -12.634 4.547 1.00 0.00 C ATOM 0 H VAL A 81 6.238 -13.099 2.117 1.00 0.00 H new ATOM 0 HA VAL A 81 8.191 -11.043 2.934 1.00 0.00 H new ATOM 0 HB VAL A 81 7.216 -11.450 5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.296 -9.957 4.894 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.728 -9.428 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.398 -10.263 3.144 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.929 -12.354 5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.017 -12.760 3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.096 -13.571 4.792 1.00 0.00 H new ATOM 1306 N GLU A 82 9.326 -12.752 4.667 1.00 0.00 N ATOM 1307 CA GLU A 82 10.255 -13.740 5.203 1.00 0.00 C ATOM 1308 C GLU A 82 9.711 -14.357 6.488 1.00 0.00 C ATOM 1309 O GLU A 82 10.035 -15.495 6.830 1.00 0.00 O ATOM 1310 CB GLU A 82 11.619 -13.098 5.470 1.00 0.00 C ATOM 1311 CG GLU A 82 12.529 -13.076 4.253 1.00 0.00 C ATOM 1312 CD GLU A 82 13.365 -14.335 4.127 1.00 0.00 C ATOM 1313 OE1 GLU A 82 14.072 -14.678 5.097 1.00 0.00 O ATOM 1314 OE2 GLU A 82 13.311 -14.977 3.057 1.00 0.00 O ATOM 0 H GLU A 82 9.362 -11.844 5.130 1.00 0.00 H new ATOM 0 HA GLU A 82 10.372 -14.531 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.468 -12.077 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.115 -13.640 6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.925 -12.954 3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.189 -12.211 4.313 1.00 0.00 H new ATOM 1321 N LYS A 83 8.883 -13.598 7.198 1.00 0.00 N ATOM 1322 CA LYS A 83 8.292 -14.068 8.445 1.00 0.00 C ATOM 1323 C LYS A 83 6.774 -13.917 8.419 1.00 0.00 C ATOM 1324 O LYS A 83 6.228 -13.196 7.586 1.00 0.00 O ATOM 1325 CB LYS A 83 8.872 -13.295 9.631 1.00 0.00 C ATOM 1326 CG LYS A 83 10.121 -13.929 10.218 1.00 0.00 C ATOM 1327 CD LYS A 83 10.710 -13.076 11.330 1.00 0.00 C ATOM 1328 CE LYS A 83 10.101 -13.423 12.680 1.00 0.00 C ATOM 1329 NZ LYS A 83 10.934 -12.922 13.809 1.00 0.00 N ATOM 0 H LYS A 83 8.606 -12.654 6.930 1.00 0.00 H new ATOM 0 HA LYS A 83 8.532 -15.125 8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.106 -12.279 9.312 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.113 -13.218 10.410 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.880 -14.918 10.606 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.864 -14.067 9.432 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.790 -13.221 11.368 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.538 -12.022 11.112 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.101 -12.995 12.748 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.991 -14.504 12.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.486 -13.178 14.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.880 -13.350 13.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.018 -11.887 13.746 1.00 0.00 H new ATOM 1343 N GLU A 84 6.100 -14.602 9.338 1.00 0.00 N ATOM 1344 CA GLU A 84 4.646 -14.542 9.420 1.00 0.00 C ATOM 1345 C GLU A 84 4.182 -13.155 9.855 1.00 0.00 C ATOM 1346 O GLU A 84 3.270 -12.580 9.262 1.00 0.00 O ATOM 1347 CB GLU A 84 4.124 -15.597 10.398 1.00 0.00 C ATOM 1348 CG GLU A 84 2.610 -15.613 10.525 1.00 0.00 C ATOM 1349 CD GLU A 84 2.101 -16.817 11.293 1.00 0.00 C ATOM 1350 OE1 GLU A 84 2.350 -16.891 12.515 1.00 0.00 O ATOM 1351 OE2 GLU A 84 1.454 -17.686 10.672 1.00 0.00 O ATOM 0 H GLU A 84 6.538 -15.204 10.035 1.00 0.00 H new ATOM 0 HA GLU A 84 4.243 -14.746 8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.463 -16.581 10.073 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.561 -15.417 11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.282 -14.702 11.026 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.166 -15.607 9.530 1.00 0.00 H new ATOM 1358 N GLU A 85 4.816 -12.625 10.896 1.00 0.00 N ATOM 1359 CA GLU A 85 4.468 -11.306 11.412 1.00 0.00 C ATOM 1360 C GLU A 85 4.632 -10.239 10.333 1.00 0.00 C ATOM 1361 O GLU A 85 3.731 -9.433 10.101 1.00 0.00 O ATOM 1362 CB GLU A 85 5.337 -10.961 12.622 1.00 0.00 C ATOM 1363 CG GLU A 85 4.930 -11.690 13.892 1.00 0.00 C ATOM 1364 CD GLU A 85 3.709 -11.076 14.550 1.00 0.00 C ATOM 1365 OE1 GLU A 85 3.854 -10.024 15.206 1.00 0.00 O ATOM 1366 OE2 GLU A 85 2.609 -11.650 14.408 1.00 0.00 O ATOM 0 H GLU A 85 5.573 -13.088 11.399 1.00 0.00 H new ATOM 0 HA GLU A 85 3.423 -11.329 11.720 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.375 -11.200 12.393 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.289 -9.886 12.799 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.725 -12.735 13.657 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.762 -11.679 14.596 1.00 0.00 H new ATOM 1373 N GLU A 86 5.789 -10.241 9.678 1.00 0.00 N ATOM 1374 CA GLU A 86 6.071 -9.273 8.625 1.00 0.00 C ATOM 1375 C GLU A 86 4.832 -9.020 7.772 1.00 0.00 C ATOM 1376 O GLU A 86 4.486 -7.873 7.486 1.00 0.00 O ATOM 1377 CB GLU A 86 7.220 -9.767 7.742 1.00 0.00 C ATOM 1378 CG GLU A 86 8.591 -9.325 8.224 1.00 0.00 C ATOM 1379 CD GLU A 86 8.725 -9.378 9.734 1.00 0.00 C ATOM 1380 OE1 GLU A 86 8.152 -8.499 10.411 1.00 0.00 O ATOM 1381 OE2 GLU A 86 9.401 -10.299 10.237 1.00 0.00 O ATOM 0 H GLU A 86 6.545 -10.901 9.858 1.00 0.00 H new ATOM 0 HA GLU A 86 6.363 -8.335 9.098 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.193 -10.856 7.700 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.067 -9.405 6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.353 -9.961 7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.782 -8.308 7.882 1.00 0.00 H new ATOM 1388 N ARG A 87 4.169 -10.098 7.367 1.00 0.00 N ATOM 1389 CA ARG A 87 2.969 -9.994 6.545 1.00 0.00 C ATOM 1390 C ARG A 87 1.900 -9.161 7.246 1.00 0.00 C ATOM 1391 O ARG A 87 1.363 -8.213 6.674 1.00 0.00 O ATOM 1392 CB ARG A 87 2.420 -11.386 6.228 1.00 0.00 C ATOM 1393 CG ARG A 87 1.052 -11.364 5.566 1.00 0.00 C ATOM 1394 CD ARG A 87 0.455 -12.760 5.475 1.00 0.00 C ATOM 1395 NE ARG A 87 0.280 -13.368 6.791 1.00 0.00 N ATOM 1396 CZ ARG A 87 -0.529 -14.395 7.025 1.00 0.00 C ATOM 1397 NH1 ARG A 87 -1.232 -14.928 6.035 1.00 0.00 N ATOM 1398 NH2 ARG A 87 -0.634 -14.893 8.250 1.00 0.00 N ATOM 0 H ARG A 87 4.442 -11.054 7.595 1.00 0.00 H new ATOM 0 HA ARG A 87 3.239 -9.497 5.613 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.122 -11.904 5.575 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.358 -11.962 7.151 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.383 -10.717 6.133 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.137 -10.937 4.567 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.509 -12.710 4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.102 -13.392 4.867 1.00 0.00 H new ATOM 0 HE ARG A 87 0.808 -12.983 7.574 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.152 -14.549 5.091 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.853 -15.717 6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.093 -14.487 9.014 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.256 -15.682 8.428 1.00 0.00 H new ATOM 1412 N ASN A 88 1.597 -9.522 8.489 1.00 0.00 N ATOM 1413 CA ASN A 88 0.591 -8.809 9.268 1.00 0.00 C ATOM 1414 C ASN A 88 0.946 -7.330 9.392 1.00 0.00 C ATOM 1415 O ASN A 88 0.082 -6.462 9.271 1.00 0.00 O ATOM 1416 CB ASN A 88 0.459 -9.431 10.660 1.00 0.00 C ATOM 1417 CG ASN A 88 0.259 -10.934 10.605 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -0.390 -11.452 9.696 1.00 0.00 O ATOM 1419 ND2 ASN A 88 0.818 -11.641 11.580 1.00 0.00 N ATOM 0 H ASN A 88 2.033 -10.304 8.978 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.363 -8.893 8.747 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.353 -9.207 11.241 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.382 -8.974 11.181 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.718 -12.656 11.596 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.347 -11.169 12.313 1.00 0.00 H new ATOM 1426 N ASP A 89 2.223 -7.053 9.632 1.00 0.00 N ATOM 1427 CA ASP A 89 2.694 -5.679 9.770 1.00 0.00 C ATOM 1428 C ASP A 89 2.368 -4.865 8.522 1.00 0.00 C ATOM 1429 O ASP A 89 1.675 -3.850 8.595 1.00 0.00 O ATOM 1430 CB ASP A 89 4.201 -5.658 10.029 1.00 0.00 C ATOM 1431 CG ASP A 89 4.624 -6.675 11.070 1.00 0.00 C ATOM 1432 OD1 ASP A 89 3.843 -6.918 12.014 1.00 0.00 O ATOM 1433 OD2 ASP A 89 5.737 -7.228 10.942 1.00 0.00 O ATOM 0 H ASP A 89 2.950 -7.761 9.735 1.00 0.00 H new ATOM 0 HA ASP A 89 2.181 -5.228 10.620 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.730 -5.856 9.097 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.496 -4.662 10.358 1.00 0.00 H new ATOM 1438 N TRP A 90 2.872 -5.316 7.379 1.00 0.00 N ATOM 1439 CA TRP A 90 2.635 -4.628 6.115 1.00 0.00 C ATOM 1440 C TRP A 90 1.164 -4.256 5.965 1.00 0.00 C ATOM 1441 O TRP A 90 0.819 -3.078 5.877 1.00 0.00 O ATOM 1442 CB TRP A 90 3.074 -5.507 4.943 1.00 0.00 C ATOM 1443 CG TRP A 90 4.554 -5.489 4.708 1.00 0.00 C ATOM 1444 CD1 TRP A 90 5.429 -6.517 4.913 1.00 0.00 C ATOM 1445 CD2 TRP A 90 5.332 -4.388 4.227 1.00 0.00 C ATOM 1446 NE1 TRP A 90 6.704 -6.122 4.587 1.00 0.00 N ATOM 1447 CE2 TRP A 90 6.671 -4.820 4.163 1.00 0.00 C ATOM 1448 CE3 TRP A 90 5.028 -3.079 3.841 1.00 0.00 C ATOM 1449 CZ2 TRP A 90 7.702 -3.989 3.731 1.00 0.00 C ATOM 1450 CZ3 TRP A 90 6.052 -2.256 3.413 1.00 0.00 C ATOM 1451 CH2 TRP A 90 7.375 -2.713 3.359 1.00 0.00 C ATOM 0 H TRP A 90 3.447 -6.155 7.301 1.00 0.00 H new ATOM 0 HA TRP A 90 3.224 -3.711 6.113 1.00 0.00 H new ATOM 0 HB2 TRP A 90 2.755 -6.533 5.128 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.566 -5.174 4.038 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.159 -7.497 5.278 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.539 -6.704 4.650 1.00 0.00 H new ATOM 0 HE3 TRP A 90 4.011 -2.718 3.877 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 8.723 -4.339 3.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.828 -1.242 3.115 1.00 0.00 H new ATOM 0 HH2 TRP A 90 8.152 -2.046 3.017 1.00 0.00 H new ATOM 1462 N ILE A 91 0.303 -5.267 5.937 1.00 0.00 N ATOM 1463 CA ILE A 91 -1.131 -5.045 5.799 1.00 0.00 C ATOM 1464 C ILE A 91 -1.627 -4.012 6.805 1.00 0.00 C ATOM 1465 O ILE A 91 -2.177 -2.977 6.428 1.00 0.00 O ATOM 1466 CB ILE A 91 -1.925 -6.351 5.989 1.00 0.00 C ATOM 1467 CG1 ILE A 91 -1.514 -7.381 4.934 1.00 0.00 C ATOM 1468 CG2 ILE A 91 -3.420 -6.078 5.917 1.00 0.00 C ATOM 1469 CD1 ILE A 91 -2.048 -8.770 5.205 1.00 0.00 C ATOM 0 H ILE A 91 0.573 -6.248 6.008 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.296 -4.673 4.788 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.697 -6.757 6.975 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.867 -7.049 3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.426 -7.422 4.883 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.967 -7.011 6.053 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.700 -5.375 6.702 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.666 -5.652 4.944 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.717 -9.447 4.417 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.675 -9.122 6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.137 -8.743 5.227 1.00 0.00 H new ATOM 1481 N SER A 92 -1.425 -4.298 8.087 1.00 0.00 N ATOM 1482 CA SER A 92 -1.853 -3.395 9.149 1.00 0.00 C ATOM 1483 C SER A 92 -1.538 -1.946 8.789 1.00 0.00 C ATOM 1484 O SER A 92 -2.378 -1.060 8.944 1.00 0.00 O ATOM 1485 CB SER A 92 -1.172 -3.765 10.468 1.00 0.00 C ATOM 1486 OG SER A 92 -1.794 -3.116 11.563 1.00 0.00 O ATOM 0 H SER A 92 -0.967 -5.148 8.416 1.00 0.00 H new ATOM 0 HA SER A 92 -2.932 -3.496 9.265 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.212 -4.845 10.611 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.119 -3.487 10.427 1.00 0.00 H new ATOM 0 HG SER A 92 -1.341 -3.370 12.394 1.00 0.00 H new ATOM 1492 N ILE A 93 -0.321 -1.714 8.309 1.00 0.00 N ATOM 1493 CA ILE A 93 0.106 -0.374 7.927 1.00 0.00 C ATOM 1494 C ILE A 93 -0.719 0.153 6.758 1.00 0.00 C ATOM 1495 O ILE A 93 -1.148 1.308 6.757 1.00 0.00 O ATOM 1496 CB ILE A 93 1.597 -0.347 7.541 1.00 0.00 C ATOM 1497 CG1 ILE A 93 2.462 -0.758 8.734 1.00 0.00 C ATOM 1498 CG2 ILE A 93 1.991 1.037 7.046 1.00 0.00 C ATOM 1499 CD1 ILE A 93 3.881 -1.120 8.356 1.00 0.00 C ATOM 0 H ILE A 93 0.386 -2.437 8.175 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.048 0.266 8.796 1.00 0.00 H new ATOM 0 HB ILE A 93 1.761 -1.061 6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.484 0.059 9.455 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.999 -1.610 9.232 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.047 1.040 6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.393 1.295 6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.815 1.769 7.834 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.436 -1.401 9.251 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.869 -1.958 7.659 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.362 -0.263 7.885 1.00 0.00 H new ATOM 1511 N LEU A 94 -0.939 -0.700 5.764 1.00 0.00 N ATOM 1512 CA LEU A 94 -1.716 -0.322 4.588 1.00 0.00 C ATOM 1513 C LEU A 94 -3.158 -0.003 4.968 1.00 0.00 C ATOM 1514 O LEU A 94 -3.645 1.103 4.726 1.00 0.00 O ATOM 1515 CB LEU A 94 -1.686 -1.445 3.550 1.00 0.00 C ATOM 1516 CG LEU A 94 -0.300 -1.889 3.081 1.00 0.00 C ATOM 1517 CD1 LEU A 94 -0.401 -3.153 2.241 1.00 0.00 C ATOM 1518 CD2 LEU A 94 0.380 -0.777 2.296 1.00 0.00 C ATOM 0 H LEU A 94 -0.590 -1.658 5.748 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.267 0.573 4.158 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.201 -2.311 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.256 -1.123 2.679 1.00 0.00 H new ATOM 0 HG LEU A 94 0.307 -2.108 3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.595 -3.454 1.916 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.845 -3.951 2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.025 -2.961 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.365 -1.111 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.224 -0.525 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.487 0.103 2.930 1.00 0.00 H new ATOM 1530 N LEU A 95 -3.836 -0.976 5.566 1.00 0.00 N ATOM 1531 CA LEU A 95 -5.223 -0.798 5.982 1.00 0.00 C ATOM 1532 C LEU A 95 -5.381 0.463 6.825 1.00 0.00 C ATOM 1533 O LEU A 95 -6.411 1.134 6.768 1.00 0.00 O ATOM 1534 CB LEU A 95 -5.698 -2.017 6.775 1.00 0.00 C ATOM 1535 CG LEU A 95 -6.301 -3.158 5.954 1.00 0.00 C ATOM 1536 CD1 LEU A 95 -6.531 -4.381 6.828 1.00 0.00 C ATOM 1537 CD2 LEU A 95 -7.601 -2.716 5.299 1.00 0.00 C ATOM 0 H LEU A 95 -3.448 -1.896 5.774 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.835 -0.693 5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.853 -2.410 7.340 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.441 -1.686 7.501 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.595 -3.426 5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.960 -5.182 6.227 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.581 -4.712 7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.217 -4.127 7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -8.015 -3.541 4.719 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.314 -2.420 6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.407 -1.870 4.639 1.00 0.00 H new ATOM 1549 N ASN A 96 -4.353 0.782 7.604 1.00 0.00 N ATOM 1550 CA ASN A 96 -4.377 1.964 8.457 1.00 0.00 C ATOM 1551 C ASN A 96 -4.101 3.226 7.645 1.00 0.00 C ATOM 1552 O ASN A 96 -4.582 4.309 7.979 1.00 0.00 O ATOM 1553 CB ASN A 96 -3.346 1.831 9.579 1.00 0.00 C ATOM 1554 CG ASN A 96 -3.942 1.244 10.844 1.00 0.00 C ATOM 1555 OD1 ASN A 96 -5.131 0.928 10.895 1.00 0.00 O ATOM 1556 ND2 ASN A 96 -3.116 1.096 11.874 1.00 0.00 N ATOM 0 H ASN A 96 -3.492 0.238 7.662 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.372 2.045 8.895 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -2.524 1.200 9.241 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.925 2.812 9.800 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.460 0.707 12.752 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -2.138 1.372 11.787 1.00 0.00 H new ATOM 1563 N ALA A 97 -3.323 3.078 6.577 1.00 0.00 N ATOM 1564 CA ALA A 97 -2.985 4.205 5.717 1.00 0.00 C ATOM 1565 C ALA A 97 -4.159 4.583 4.820 1.00 0.00 C ATOM 1566 O ALA A 97 -4.366 5.758 4.513 1.00 0.00 O ATOM 1567 CB ALA A 97 -1.761 3.877 4.875 1.00 0.00 C ATOM 0 H ALA A 97 -2.915 2.189 6.287 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.757 5.060 6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.520 4.727 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.916 3.663 5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.969 3.006 4.254 1.00 0.00 H new ATOM 1573 N LEU A 98 -4.925 3.581 4.403 1.00 0.00 N ATOM 1574 CA LEU A 98 -6.080 3.809 3.540 1.00 0.00 C ATOM 1575 C LEU A 98 -7.205 4.498 4.307 1.00 0.00 C ATOM 1576 O LEU A 98 -7.714 5.536 3.883 1.00 0.00 O ATOM 1577 CB LEU A 98 -6.578 2.483 2.963 1.00 0.00 C ATOM 1578 CG LEU A 98 -5.557 1.672 2.164 1.00 0.00 C ATOM 1579 CD1 LEU A 98 -5.910 0.193 2.192 1.00 0.00 C ATOM 1580 CD2 LEU A 98 -5.480 2.177 0.730 1.00 0.00 C ATOM 0 H LEU A 98 -4.768 2.603 4.648 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.770 4.461 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.939 1.865 3.785 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.433 2.689 2.319 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.578 1.799 2.626 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.172 -0.368 1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.913 -0.161 3.223 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.898 0.046 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.749 1.589 0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.457 2.080 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.179 3.225 0.729 1.00 0.00 H new ATOM 1592 N LYS A 99 -7.587 3.914 5.437 1.00 0.00 N ATOM 1593 CA LYS A 99 -8.649 4.473 6.266 1.00 0.00 C ATOM 1594 C LYS A 99 -8.373 5.938 6.590 1.00 0.00 C ATOM 1595 O LYS A 99 -9.294 6.749 6.673 1.00 0.00 O ATOM 1596 CB LYS A 99 -8.789 3.670 7.561 1.00 0.00 C ATOM 1597 CG LYS A 99 -7.857 4.134 8.668 1.00 0.00 C ATOM 1598 CD LYS A 99 -8.154 3.427 9.980 1.00 0.00 C ATOM 1599 CE LYS A 99 -7.057 3.671 11.005 1.00 0.00 C ATOM 1600 NZ LYS A 99 -7.259 4.950 11.739 1.00 0.00 N ATOM 0 H LYS A 99 -7.177 3.053 5.800 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.582 4.413 5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -9.819 3.739 7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.594 2.619 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.823 3.945 8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.959 5.211 8.803 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.107 3.777 10.376 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.256 2.356 9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.033 2.844 11.715 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.089 3.689 10.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.491 5.080 12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.256 5.742 11.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.171 4.924 12.238 1.00 0.00 H new ATOM 1614 N SER A 100 -7.098 6.269 6.771 1.00 0.00 N ATOM 1615 CA SER A 100 -6.701 7.636 7.088 1.00 0.00 C ATOM 1616 C SER A 100 -7.101 8.591 5.968 1.00 0.00 C ATOM 1617 O SER A 100 -7.659 9.659 6.220 1.00 0.00 O ATOM 1618 CB SER A 100 -5.191 7.709 7.322 1.00 0.00 C ATOM 1619 OG SER A 100 -4.845 8.870 8.058 1.00 0.00 O ATOM 0 H SER A 100 -6.323 5.609 6.704 1.00 0.00 H new ATOM 0 HA SER A 100 -7.218 7.937 8.000 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.860 6.821 7.860 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.671 7.713 6.364 1.00 0.00 H new ATOM 0 HG SER A 100 -3.875 8.893 8.196 1.00 0.00 H new