USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 501 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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -8.46! C(o=-8.5!,f=-13!) USER MOD Single : A 17 GLN : amide:sc= -0.412 X(o=-0.41,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 150:sc= -3.44! USER MOD Single : A 30 SER OG : rot 47:sc= 0.997 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.52 X(o=-1.5,f=-1.7) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0149 K(o=-0.015,f=-1.5!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -7.2! C(o=-7.2!,f=-9.3!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.499 X(o=-0.5,f=0) USER MOD Single : A 69 MET CE :methyl -104:sc= -2.5! (180deg=-6.92!) USER MOD Single : A 72 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.38) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0527 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.129 -9.277 -10.559 1.00 0.00 N ATOM 60 CA GLY A 7 -1.047 -7.837 -10.389 1.00 0.00 C ATOM 61 C GLY A 7 -0.265 -7.478 -9.124 1.00 0.00 C ATOM 62 O GLY A 7 0.227 -8.361 -8.422 1.00 0.00 O ATOM 0 HA2 GLY A 7 -0.564 -7.392 -11.258 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.051 -7.416 -10.332 1.00 0.00 H new ATOM 66 N PRO A 8 -0.172 -6.146 -8.863 1.00 0.00 N ATOM 67 CA PRO A 8 0.542 -5.660 -7.695 1.00 0.00 C ATOM 68 C PRO A 8 -0.273 -5.887 -6.421 1.00 0.00 C ATOM 69 O PRO A 8 0.289 -5.996 -5.332 1.00 0.00 O ATOM 70 CB PRO A 8 0.805 -4.190 -7.978 1.00 0.00 C ATOM 71 CG PRO A 8 -0.171 -3.796 -9.076 1.00 0.00 C ATOM 72 CD PRO A 8 -0.742 -5.072 -9.672 1.00 0.00 C ATOM 0 HA PRO A 8 1.478 -6.192 -7.522 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.651 -3.586 -7.084 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.835 -4.032 -8.296 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.969 -3.173 -8.672 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.334 -3.209 -9.843 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.831 -5.077 -9.627 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.466 -5.177 -10.721 1.00 0.00 H new ATOM 80 N ILE A 9 -1.584 -5.952 -6.598 1.00 0.00 N ATOM 81 CA ILE A 9 -2.482 -6.164 -5.476 1.00 0.00 C ATOM 82 C ILE A 9 -2.384 -7.621 -5.018 1.00 0.00 C ATOM 83 O ILE A 9 -1.898 -7.900 -3.923 1.00 0.00 O ATOM 84 CB ILE A 9 -3.903 -5.727 -5.836 1.00 0.00 C ATOM 85 CG1 ILE A 9 -3.894 -4.384 -6.569 1.00 0.00 C ATOM 86 CG2 ILE A 9 -4.799 -5.698 -4.596 1.00 0.00 C ATOM 87 CD1 ILE A 9 -3.128 -3.328 -5.770 1.00 0.00 C ATOM 0 H ILE A 9 -2.046 -5.861 -7.503 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.187 -5.543 -4.630 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.324 -6.464 -6.520 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.436 -4.505 -7.551 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.918 -4.049 -6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.803 -5.384 -4.880 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.841 -6.694 -4.154 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.391 -4.996 -3.869 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.137 -2.383 -6.313 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.602 -3.192 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.098 -3.655 -5.628 1.00 0.00 H new ATOM 99 N SER A 10 -2.853 -8.511 -5.880 1.00 0.00 N ATOM 100 CA SER A 10 -2.825 -9.932 -5.579 1.00 0.00 C ATOM 101 C SER A 10 -1.468 -10.313 -4.982 1.00 0.00 C ATOM 102 O SER A 10 -1.403 -10.884 -3.894 1.00 0.00 O ATOM 103 CB SER A 10 -3.108 -10.767 -6.829 1.00 0.00 C ATOM 104 OG SER A 10 -4.323 -11.502 -6.717 1.00 0.00 O ATOM 0 H SER A 10 -3.255 -8.275 -6.787 1.00 0.00 H new ATOM 0 HA SER A 10 -3.608 -10.142 -4.851 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.160 -10.112 -7.698 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.281 -11.457 -6.999 1.00 0.00 H new ATOM 0 HG SER A 10 -4.468 -12.021 -7.536 1.00 0.00 H new ATOM 110 N ARG A 11 -0.419 -9.983 -5.720 1.00 0.00 N ATOM 111 CA ARG A 11 0.932 -10.283 -5.278 1.00 0.00 C ATOM 112 C ARG A 11 1.104 -9.907 -3.805 1.00 0.00 C ATOM 113 O ARG A 11 1.734 -10.639 -3.043 1.00 0.00 O ATOM 114 CB ARG A 11 1.966 -9.528 -6.114 1.00 0.00 C ATOM 115 CG ARG A 11 3.350 -10.167 -5.983 1.00 0.00 C ATOM 116 CD ARG A 11 4.175 -9.955 -7.254 1.00 0.00 C ATOM 117 NE ARG A 11 5.600 -10.255 -6.989 1.00 0.00 N ATOM 118 CZ ARG A 11 6.129 -11.485 -7.034 1.00 0.00 C ATOM 119 NH1 ARG A 11 5.355 -12.537 -7.332 1.00 0.00 N ATOM 120 NH2 ARG A 11 7.433 -11.663 -6.779 1.00 0.00 N ATOM 0 H ARG A 11 -0.477 -9.510 -6.622 1.00 0.00 H new ATOM 0 HA ARG A 11 1.092 -11.354 -5.405 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.661 -9.525 -7.160 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.010 -8.488 -5.792 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.874 -9.737 -5.129 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.245 -11.234 -5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.802 -10.598 -8.051 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.069 -8.926 -7.598 1.00 0.00 H new ATOM 0 HE ARG A 11 6.218 -9.477 -6.758 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.363 -12.402 -7.525 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.758 -13.473 -7.366 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.022 -10.862 -6.551 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.836 -12.599 -6.813 1.00 0.00 H new ATOM 134 N LEU A 12 0.533 -8.767 -3.448 1.00 0.00 N ATOM 135 CA LEU A 12 0.615 -8.285 -2.079 1.00 0.00 C ATOM 136 C LEU A 12 -0.301 -9.128 -1.190 1.00 0.00 C ATOM 137 O LEU A 12 0.112 -9.585 -0.125 1.00 0.00 O ATOM 138 CB LEU A 12 0.318 -6.785 -2.021 1.00 0.00 C ATOM 139 CG LEU A 12 1.120 -5.981 -0.995 1.00 0.00 C ATOM 140 CD1 LEU A 12 0.454 -4.633 -0.713 1.00 0.00 C ATOM 141 CD2 LEU A 12 1.341 -6.791 0.284 1.00 0.00 C ATOM 0 H LEU A 12 0.011 -8.162 -4.083 1.00 0.00 H new ATOM 0 HA LEU A 12 1.628 -8.401 -1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.500 -6.360 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.743 -6.653 -1.808 1.00 0.00 H new ATOM 0 HG LEU A 12 2.103 -5.772 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.044 -4.082 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.392 -4.057 -1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.549 -4.798 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.913 -6.197 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.377 -7.052 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.890 -7.702 0.047 1.00 0.00 H new ATOM 153 N ALA A 13 -1.526 -9.309 -1.660 1.00 0.00 N ATOM 154 CA ALA A 13 -2.503 -10.090 -0.921 1.00 0.00 C ATOM 155 C ALA A 13 -1.931 -11.481 -0.639 1.00 0.00 C ATOM 156 O ALA A 13 -2.078 -12.005 0.464 1.00 0.00 O ATOM 157 CB ALA A 13 -3.813 -10.147 -1.709 1.00 0.00 C ATOM 0 H ALA A 13 -1.864 -8.928 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.720 -9.622 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.546 -10.733 -1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.193 -9.136 -1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.635 -10.613 -2.678 1.00 0.00 H new ATOM 163 N GLN A 14 -1.291 -12.039 -1.656 1.00 0.00 N ATOM 164 CA GLN A 14 -0.696 -13.359 -1.532 1.00 0.00 C ATOM 165 C GLN A 14 0.396 -13.350 -0.460 1.00 0.00 C ATOM 166 O GLN A 14 0.687 -14.382 0.143 1.00 0.00 O ATOM 167 CB GLN A 14 -0.142 -13.839 -2.874 1.00 0.00 C ATOM 168 CG GLN A 14 -1.250 -14.442 -3.741 1.00 0.00 C ATOM 169 CD GLN A 14 -0.752 -15.686 -4.480 1.00 0.00 C ATOM 170 OE1 GLN A 14 -0.951 -16.812 -4.056 1.00 0.00 O ATOM 171 NE2 GLN A 14 -0.096 -15.420 -5.606 1.00 0.00 N ATOM 0 H GLN A 14 -1.171 -11.601 -2.569 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.473 -14.059 -1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.322 -13.004 -3.399 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.637 -14.582 -2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.104 -14.703 -3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.597 -13.701 -4.461 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.035 -14.453 -5.904 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.276 -16.183 -6.172 1.00 0.00 H new ATOM 180 N ILE A 15 0.970 -12.174 -0.255 1.00 0.00 N ATOM 181 CA ILE A 15 2.023 -12.018 0.734 1.00 0.00 C ATOM 182 C ILE A 15 1.395 -11.833 2.117 1.00 0.00 C ATOM 183 O ILE A 15 1.953 -12.274 3.120 1.00 0.00 O ATOM 184 CB ILE A 15 2.971 -10.886 0.333 1.00 0.00 C ATOM 185 CG1 ILE A 15 3.705 -11.220 -0.968 1.00 0.00 C ATOM 186 CG2 ILE A 15 3.940 -10.554 1.469 1.00 0.00 C ATOM 187 CD1 ILE A 15 4.257 -9.954 -1.626 1.00 0.00 C ATOM 0 H ILE A 15 0.726 -11.320 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 15 2.638 -12.917 0.780 1.00 0.00 H new ATOM 0 HB ILE A 15 2.376 -9.992 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.521 -11.913 -0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.025 -11.724 -1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.603 -9.746 1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.377 -10.243 2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.532 -11.436 1.711 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.774 -10.219 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.436 -9.274 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.955 -9.466 -0.946 1.00 0.00 H new ATOM 199 N GLN A 16 0.242 -11.180 2.125 1.00 0.00 N ATOM 200 CA GLN A 16 -0.468 -10.932 3.369 1.00 0.00 C ATOM 201 C GLN A 16 -1.028 -12.240 3.931 1.00 0.00 C ATOM 202 O GLN A 16 -1.248 -12.358 5.135 1.00 0.00 O ATOM 203 CB GLN A 16 -1.581 -9.901 3.168 1.00 0.00 C ATOM 204 CG GLN A 16 -1.017 -8.582 2.635 1.00 0.00 C ATOM 205 CD GLN A 16 0.354 -8.285 3.247 1.00 0.00 C ATOM 206 OE1 GLN A 16 1.336 -8.065 2.557 1.00 0.00 O ATOM 207 NE2 GLN A 16 0.366 -8.291 4.577 1.00 0.00 N ATOM 0 H GLN A 16 -0.218 -10.815 1.291 1.00 0.00 H new ATOM 0 HA GLN A 16 0.237 -10.522 4.092 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.322 -10.292 2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.094 -9.726 4.113 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.932 -8.631 1.549 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.706 -7.769 2.864 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.492 -8.483 5.094 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.233 -8.104 5.080 1.00 0.00 H new ATOM 216 N GLN A 17 -1.242 -13.189 3.032 1.00 0.00 N ATOM 217 CA GLN A 17 -1.772 -14.485 3.424 1.00 0.00 C ATOM 218 C GLN A 17 -0.629 -15.452 3.738 1.00 0.00 C ATOM 219 O GLN A 17 -0.684 -16.182 4.727 1.00 0.00 O ATOM 220 CB GLN A 17 -2.688 -15.053 2.338 1.00 0.00 C ATOM 221 CG GLN A 17 -1.907 -15.947 1.374 1.00 0.00 C ATOM 222 CD GLN A 17 -2.816 -16.486 0.267 1.00 0.00 C ATOM 223 OE1 GLN A 17 -2.906 -17.679 0.028 1.00 0.00 O ATOM 224 NE2 GLN A 17 -3.484 -15.543 -0.392 1.00 0.00 N ATOM 0 H GLN A 17 -1.058 -13.087 2.034 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.370 -14.354 4.326 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.493 -15.625 2.799 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.153 -14.236 1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.086 -15.382 0.932 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.463 -16.778 1.922 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.362 -14.562 -0.141 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.118 -15.801 -1.148 1.00 0.00 H new ATOM 233 N ALA A 18 0.379 -15.427 2.879 1.00 0.00 N ATOM 234 CA ALA A 18 1.532 -16.293 3.053 1.00 0.00 C ATOM 235 C ALA A 18 2.259 -15.913 4.344 1.00 0.00 C ATOM 236 O ALA A 18 2.841 -16.770 5.008 1.00 0.00 O ATOM 237 CB ALA A 18 2.437 -16.192 1.823 1.00 0.00 C ATOM 0 H ALA A 18 0.421 -14.820 2.060 1.00 0.00 H new ATOM 0 HA ALA A 18 1.220 -17.334 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.302 -16.842 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.882 -16.500 0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.772 -15.162 1.701 1.00 0.00 H new ATOM 243 N ARG A 19 2.202 -14.628 4.662 1.00 0.00 N ATOM 244 CA ARG A 19 2.848 -14.125 5.862 1.00 0.00 C ATOM 245 C ARG A 19 1.992 -14.429 7.093 1.00 0.00 C ATOM 246 O ARG A 19 2.483 -14.394 8.220 1.00 0.00 O ATOM 247 CB ARG A 19 3.081 -12.616 5.771 1.00 0.00 C ATOM 248 CG ARG A 19 4.342 -12.303 4.963 1.00 0.00 C ATOM 249 CD ARG A 19 4.602 -10.796 4.914 1.00 0.00 C ATOM 250 NE ARG A 19 6.024 -10.517 5.214 1.00 0.00 N ATOM 251 CZ ARG A 19 6.538 -10.483 6.451 1.00 0.00 C ATOM 252 NH1 ARG A 19 5.749 -10.709 7.511 1.00 0.00 N ATOM 253 NH2 ARG A 19 7.840 -10.222 6.629 1.00 0.00 N ATOM 0 H ARG A 19 1.718 -13.920 4.109 1.00 0.00 H new ATOM 0 HA ARG A 19 3.812 -14.625 5.954 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.219 -12.139 5.305 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.174 -12.198 6.773 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.199 -12.809 5.408 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.234 -12.690 3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.347 -10.407 3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.963 -10.285 5.634 1.00 0.00 H new ATOM 0 HE ARG A 19 6.652 -10.339 4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.758 -10.907 7.376 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.140 -10.683 8.453 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.440 -10.049 5.823 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.231 -10.196 7.571 1.00 0.00 H new ATOM 267 N LYS A 20 0.725 -14.719 6.836 1.00 0.00 N ATOM 268 CA LYS A 20 -0.205 -15.028 7.909 1.00 0.00 C ATOM 269 C LYS A 20 -0.376 -13.797 8.801 1.00 0.00 C ATOM 270 O LYS A 20 -0.633 -13.924 9.997 1.00 0.00 O ATOM 271 CB LYS A 20 0.248 -16.278 8.666 1.00 0.00 C ATOM 272 CG LYS A 20 -0.361 -17.541 8.053 1.00 0.00 C ATOM 273 CD LYS A 20 0.515 -18.764 8.334 1.00 0.00 C ATOM 274 CE LYS A 20 -0.339 -19.974 8.715 1.00 0.00 C ATOM 275 NZ LYS A 20 0.478 -20.982 9.427 1.00 0.00 N ATOM 0 H LYS A 20 0.320 -14.747 5.900 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.188 -15.267 7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.336 -16.347 8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.045 -16.200 9.713 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.359 -17.703 8.461 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.474 -17.409 6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.112 -18.999 7.453 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.213 -18.538 9.140 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.168 -19.657 9.348 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.773 -20.417 7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.117 -21.797 9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.254 -21.297 8.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.872 -20.561 10.293 1.00 0.00 H new ATOM 289 N GLU A 21 -0.225 -12.634 8.185 1.00 0.00 N ATOM 290 CA GLU A 21 -0.359 -11.381 8.908 1.00 0.00 C ATOM 291 C GLU A 21 -1.786 -10.843 8.778 1.00 0.00 C ATOM 292 O GLU A 21 -2.552 -10.868 9.740 1.00 0.00 O ATOM 293 CB GLU A 21 0.661 -10.352 8.416 1.00 0.00 C ATOM 294 CG GLU A 21 2.089 -10.797 8.742 1.00 0.00 C ATOM 295 CD GLU A 21 2.397 -10.604 10.228 1.00 0.00 C ATOM 296 OE1 GLU A 21 1.731 -11.283 11.039 1.00 0.00 O ATOM 297 OE2 GLU A 21 3.293 -9.782 10.519 1.00 0.00 O ATOM 0 H GLU A 21 -0.011 -12.533 7.193 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.157 -11.569 9.962 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.555 -10.216 7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.462 -9.386 8.881 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.217 -11.846 8.473 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.798 -10.225 8.143 1.00 0.00 H new ATOM 304 N LYS A 22 -2.099 -10.370 7.581 1.00 0.00 N ATOM 305 CA LYS A 22 -3.420 -9.827 7.313 1.00 0.00 C ATOM 306 C LYS A 22 -3.386 -9.036 6.004 1.00 0.00 C ATOM 307 O LYS A 22 -2.441 -8.292 5.749 1.00 0.00 O ATOM 308 CB LYS A 22 -3.918 -9.014 8.510 1.00 0.00 C ATOM 309 CG LYS A 22 -5.006 -8.025 8.086 1.00 0.00 C ATOM 310 CD LYS A 22 -4.479 -6.589 8.105 1.00 0.00 C ATOM 311 CE LYS A 22 -5.070 -5.804 9.277 1.00 0.00 C ATOM 312 NZ LYS A 22 -3.992 -5.192 10.087 1.00 0.00 N ATOM 0 H LYS A 22 -1.461 -10.351 6.786 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.143 -10.632 7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.310 -9.686 9.273 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.085 -8.473 8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.358 -8.274 7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.862 -8.111 8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.392 -6.598 8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.730 -6.093 7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.737 -5.028 8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.670 -6.467 9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.410 -4.663 10.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.371 -5.939 10.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.436 -4.544 9.493 1.00 0.00 H new ATOM 326 N GLU A 23 -4.428 -9.225 5.208 1.00 0.00 N ATOM 327 CA GLU A 23 -4.530 -8.539 3.932 1.00 0.00 C ATOM 328 C GLU A 23 -4.028 -7.099 4.062 1.00 0.00 C ATOM 329 O GLU A 23 -3.974 -6.554 5.163 1.00 0.00 O ATOM 330 CB GLU A 23 -5.965 -8.573 3.403 1.00 0.00 C ATOM 331 CG GLU A 23 -6.294 -9.941 2.801 1.00 0.00 C ATOM 332 CD GLU A 23 -7.629 -9.904 2.053 1.00 0.00 C ATOM 333 OE1 GLU A 23 -7.998 -8.796 1.606 1.00 0.00 O ATOM 334 OE2 GLU A 23 -8.249 -10.984 1.944 1.00 0.00 O ATOM 0 H GLU A 23 -5.210 -9.844 5.423 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.900 -9.060 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.660 -8.351 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.097 -7.798 2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.499 -10.243 2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.337 -10.690 3.592 1.00 0.00 H new ATOM 341 N PRO A 24 -3.664 -6.509 2.892 1.00 0.00 N ATOM 342 CA PRO A 24 -3.169 -5.143 2.864 1.00 0.00 C ATOM 343 C PRO A 24 -4.310 -4.142 3.054 1.00 0.00 C ATOM 344 O PRO A 24 -5.422 -4.365 2.578 1.00 0.00 O ATOM 345 CB PRO A 24 -2.474 -5.004 1.520 1.00 0.00 C ATOM 346 CG PRO A 24 -3.005 -6.137 0.657 1.00 0.00 C ATOM 347 CD PRO A 24 -3.715 -7.124 1.569 1.00 0.00 C ATOM 0 HA PRO A 24 -2.477 -4.930 3.679 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.688 -4.035 1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.392 -5.072 1.631 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.691 -5.753 -0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.189 -6.627 0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.744 -7.290 1.249 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.219 -8.095 1.564 1.00 0.00 H new ATOM 355 N ASP A 25 -3.996 -3.060 3.752 1.00 0.00 N ATOM 356 CA ASP A 25 -4.981 -2.024 4.011 1.00 0.00 C ATOM 357 C ASP A 25 -4.793 -0.886 3.006 1.00 0.00 C ATOM 358 O ASP A 25 -3.888 -0.067 3.153 1.00 0.00 O ATOM 359 CB ASP A 25 -4.815 -1.446 5.417 1.00 0.00 C ATOM 360 CG ASP A 25 -5.906 -1.845 6.413 1.00 0.00 C ATOM 361 OD1 ASP A 25 -7.029 -2.128 5.942 1.00 0.00 O ATOM 362 OD2 ASP A 25 -5.593 -1.858 7.623 1.00 0.00 O ATOM 0 H ASP A 25 -3.073 -2.879 4.146 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.972 -2.469 3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.850 -1.763 5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.789 -0.359 5.346 1.00 0.00 H new ATOM 367 N TYR A 26 -5.664 -0.871 2.008 1.00 0.00 N ATOM 368 CA TYR A 26 -5.606 0.154 0.979 1.00 0.00 C ATOM 369 C TYR A 26 -6.473 1.357 1.354 1.00 0.00 C ATOM 370 O TYR A 26 -7.686 1.227 1.512 1.00 0.00 O ATOM 371 CB TYR A 26 -6.168 -0.490 -0.290 1.00 0.00 C ATOM 372 CG TYR A 26 -5.231 -1.510 -0.938 1.00 0.00 C ATOM 373 CD1 TYR A 26 -4.089 -1.085 -1.586 1.00 0.00 C ATOM 374 CD2 TYR A 26 -5.527 -2.857 -0.874 1.00 0.00 C ATOM 375 CE1 TYR A 26 -3.207 -2.045 -2.196 1.00 0.00 C ATOM 376 CE2 TYR A 26 -4.644 -3.818 -1.485 1.00 0.00 C ATOM 377 CZ TYR A 26 -3.528 -3.364 -2.115 1.00 0.00 C ATOM 378 OH TYR A 26 -2.695 -4.272 -2.691 1.00 0.00 O ATOM 0 H TYR A 26 -6.414 -1.552 1.890 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.584 0.510 0.849 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.111 -0.980 -0.049 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.392 0.293 -1.014 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -3.857 -0.031 -1.635 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.420 -3.190 -0.366 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.311 -1.725 -2.706 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.864 -4.875 -1.443 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.739 -5.116 -2.196 1.00 0.00 H new ATOM 388 N ILE A 27 -5.818 2.501 1.486 1.00 0.00 N ATOM 389 CA ILE A 27 -6.514 3.726 1.839 1.00 0.00 C ATOM 390 C ILE A 27 -6.327 4.755 0.721 1.00 0.00 C ATOM 391 O ILE A 27 -5.556 4.530 -0.210 1.00 0.00 O ATOM 392 CB ILE A 27 -6.061 4.223 3.213 1.00 0.00 C ATOM 393 CG1 ILE A 27 -5.960 3.065 4.209 1.00 0.00 C ATOM 394 CG2 ILE A 27 -6.976 5.338 3.722 1.00 0.00 C ATOM 395 CD1 ILE A 27 -4.512 2.592 4.355 1.00 0.00 C ATOM 0 H ILE A 27 -4.812 2.605 1.355 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.585 3.543 1.929 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.062 4.648 3.110 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.343 3.381 5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.585 2.237 3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.632 5.673 4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.954 6.174 3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.996 4.962 3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.468 1.769 5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.140 2.254 3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.895 3.416 4.713 1.00 0.00 H new ATOM 407 N LEU A 28 -7.045 5.860 0.851 1.00 0.00 N ATOM 408 CA LEU A 28 -6.968 6.923 -0.136 1.00 0.00 C ATOM 409 C LEU A 28 -6.321 8.156 0.498 1.00 0.00 C ATOM 410 O LEU A 28 -6.861 8.727 1.445 1.00 0.00 O ATOM 411 CB LEU A 28 -8.348 7.195 -0.740 1.00 0.00 C ATOM 412 CG LEU A 28 -8.381 8.153 -1.932 1.00 0.00 C ATOM 413 CD1 LEU A 28 -7.978 7.437 -3.223 1.00 0.00 C ATOM 414 CD2 LEU A 28 -9.748 8.829 -2.054 1.00 0.00 C ATOM 0 H LEU A 28 -7.683 6.043 1.625 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.334 6.623 -0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.780 6.244 -1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.992 7.597 0.042 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.647 8.940 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.010 8.141 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.967 7.043 -3.120 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.670 6.617 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.745 9.505 -2.909 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.518 8.070 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.957 9.394 -1.146 1.00 0.00 H new ATOM 426 N LEU A 29 -5.174 8.530 -0.049 1.00 0.00 N ATOM 427 CA LEU A 29 -4.448 9.685 0.452 1.00 0.00 C ATOM 428 C LEU A 29 -5.167 10.963 0.015 1.00 0.00 C ATOM 429 O LEU A 29 -5.538 11.787 0.850 1.00 0.00 O ATOM 430 CB LEU A 29 -2.982 9.625 0.018 1.00 0.00 C ATOM 431 CG LEU A 29 -2.081 8.688 0.824 1.00 0.00 C ATOM 432 CD1 LEU A 29 -0.604 8.988 0.564 1.00 0.00 C ATOM 433 CD2 LEU A 29 -2.424 8.745 2.314 1.00 0.00 C ATOM 0 H LEU A 29 -4.729 8.054 -0.834 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.434 9.683 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.946 9.321 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.567 10.631 0.072 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.265 7.667 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.014 8.307 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.387 8.855 -0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.385 10.016 0.853 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.769 8.070 2.864 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.287 9.762 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.461 8.444 2.460 1.00 0.00 H new ATOM 445 N SER A 30 -5.342 11.088 -1.292 1.00 0.00 N ATOM 446 CA SER A 30 -6.010 12.252 -1.850 1.00 0.00 C ATOM 447 C SER A 30 -6.258 12.046 -3.345 1.00 0.00 C ATOM 448 O SER A 30 -5.939 10.991 -3.892 1.00 0.00 O ATOM 449 CB SER A 30 -5.189 13.522 -1.618 1.00 0.00 C ATOM 450 OG SER A 30 -5.575 14.197 -0.425 1.00 0.00 O ATOM 0 H SER A 30 -5.033 10.403 -1.981 1.00 0.00 H new ATOM 0 HA SER A 30 -6.967 12.373 -1.343 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.131 13.265 -1.563 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.310 14.192 -2.469 1.00 0.00 H new ATOM 0 HG SER A 30 -5.645 13.551 0.308 1.00 0.00 H new ATOM 456 N GLU A 31 -6.826 13.070 -3.965 1.00 0.00 N ATOM 457 CA GLU A 31 -7.121 13.015 -5.386 1.00 0.00 C ATOM 458 C GLU A 31 -6.875 14.379 -6.033 1.00 0.00 C ATOM 459 O GLU A 31 -7.595 15.339 -5.760 1.00 0.00 O ATOM 460 CB GLU A 31 -8.556 12.543 -5.630 1.00 0.00 C ATOM 461 CG GLU A 31 -8.852 11.260 -4.852 1.00 0.00 C ATOM 462 CD GLU A 31 -10.354 10.973 -4.817 1.00 0.00 C ATOM 463 OE1 GLU A 31 -11.064 11.745 -4.138 1.00 0.00 O ATOM 464 OE2 GLU A 31 -10.759 9.987 -5.471 1.00 0.00 O ATOM 0 H GLU A 31 -7.090 13.943 -3.508 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.451 12.290 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.255 13.324 -5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.709 12.370 -6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.329 10.422 -5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.472 11.352 -3.834 1.00 0.00 H new ATOM 605 N GLU A 39 -4.846 12.363 -11.037 1.00 0.00 N ATOM 606 CA GLU A 39 -3.879 11.698 -10.180 1.00 0.00 C ATOM 607 C GLU A 39 -4.528 11.307 -8.851 1.00 0.00 C ATOM 608 O GLU A 39 -4.979 12.170 -8.098 1.00 0.00 O ATOM 609 CB GLU A 39 -2.650 12.581 -9.952 1.00 0.00 C ATOM 610 CG GLU A 39 -1.438 11.739 -9.548 1.00 0.00 C ATOM 611 CD GLU A 39 -0.147 12.327 -10.122 1.00 0.00 C ATOM 612 OE1 GLU A 39 -0.143 12.605 -11.341 1.00 0.00 O ATOM 613 OE2 GLU A 39 0.807 12.484 -9.330 1.00 0.00 O ATOM 0 HA GLU A 39 -3.544 10.789 -10.680 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.424 13.138 -10.861 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.864 13.314 -9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.369 11.692 -8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.566 10.717 -9.904 1.00 0.00 H new ATOM 620 N PHE A 40 -4.555 10.006 -8.602 1.00 0.00 N ATOM 621 CA PHE A 40 -5.141 9.491 -7.376 1.00 0.00 C ATOM 622 C PHE A 40 -4.074 8.855 -6.483 1.00 0.00 C ATOM 623 O PHE A 40 -3.378 7.931 -6.903 1.00 0.00 O ATOM 624 CB PHE A 40 -6.154 8.419 -7.782 1.00 0.00 C ATOM 625 CG PHE A 40 -7.455 8.979 -8.360 1.00 0.00 C ATOM 626 CD1 PHE A 40 -7.463 9.537 -9.600 1.00 0.00 C ATOM 627 CD2 PHE A 40 -8.604 8.920 -7.634 1.00 0.00 C ATOM 628 CE1 PHE A 40 -8.670 10.058 -10.137 1.00 0.00 C ATOM 629 CE2 PHE A 40 -9.811 9.440 -8.171 1.00 0.00 C ATOM 630 CZ PHE A 40 -9.819 9.998 -9.411 1.00 0.00 C ATOM 0 H PHE A 40 -4.181 9.293 -9.228 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.608 10.302 -6.817 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.695 7.760 -8.519 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.389 7.807 -6.911 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.551 9.584 -10.177 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.598 8.477 -6.649 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.676 10.502 -11.122 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.723 9.392 -7.595 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.737 10.393 -9.819 1.00 0.00 H new ATOM 640 N VAL A 41 -3.978 9.375 -5.268 1.00 0.00 N ATOM 641 CA VAL A 41 -3.007 8.869 -4.312 1.00 0.00 C ATOM 642 C VAL A 41 -3.645 7.748 -3.489 1.00 0.00 C ATOM 643 O VAL A 41 -4.753 7.902 -2.978 1.00 0.00 O ATOM 644 CB VAL A 41 -2.476 10.016 -3.450 1.00 0.00 C ATOM 645 CG1 VAL A 41 -1.231 9.586 -2.672 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.189 11.255 -4.302 1.00 0.00 C ATOM 0 H VAL A 41 -4.556 10.141 -4.924 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.147 8.443 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.249 10.278 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.874 10.420 -2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.480 8.747 -2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.451 9.285 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.813 12.055 -3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.443 11.012 -5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.107 11.581 -4.790 1.00 0.00 H new ATOM 656 N MET A 42 -2.917 6.646 -3.385 1.00 0.00 N ATOM 657 CA MET A 42 -3.398 5.500 -2.633 1.00 0.00 C ATOM 658 C MET A 42 -2.340 5.014 -1.639 1.00 0.00 C ATOM 659 O MET A 42 -1.156 4.959 -1.966 1.00 0.00 O ATOM 660 CB MET A 42 -3.751 4.367 -3.598 1.00 0.00 C ATOM 661 CG MET A 42 -4.896 3.514 -3.047 1.00 0.00 C ATOM 662 SD MET A 42 -6.372 4.505 -2.888 1.00 0.00 S ATOM 663 CE MET A 42 -7.536 3.249 -2.383 1.00 0.00 C ATOM 0 H MET A 42 -1.998 6.523 -3.809 1.00 0.00 H new ATOM 0 HA MET A 42 -4.284 5.801 -2.074 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.035 4.783 -4.565 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.875 3.741 -3.766 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.084 2.670 -3.711 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.619 3.101 -2.077 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.518 3.700 -2.238 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.599 2.481 -3.154 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.202 2.799 -1.448 1.00 0.00 H new ATOM 673 N GLN A 43 -2.807 4.673 -0.447 1.00 0.00 N ATOM 674 CA GLN A 43 -1.916 4.194 0.596 1.00 0.00 C ATOM 675 C GLN A 43 -2.158 2.705 0.857 1.00 0.00 C ATOM 676 O GLN A 43 -3.246 2.195 0.597 1.00 0.00 O ATOM 677 CB GLN A 43 -2.084 5.010 1.879 1.00 0.00 C ATOM 678 CG GLN A 43 -0.830 4.925 2.751 1.00 0.00 C ATOM 679 CD GLN A 43 -0.849 5.995 3.845 1.00 0.00 C ATOM 680 OE1 GLN A 43 0.030 6.834 3.944 1.00 0.00 O ATOM 681 NE2 GLN A 43 -1.899 5.918 4.658 1.00 0.00 N ATOM 0 H GLN A 43 -3.790 4.719 -0.180 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.888 4.322 0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.287 6.051 1.628 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.945 4.643 2.437 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.765 3.936 3.205 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.058 5.050 2.131 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.599 5.190 4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.004 6.587 5.421 1.00 0.00 H new ATOM 690 N VAL A 44 -1.125 2.052 1.368 1.00 0.00 N ATOM 691 CA VAL A 44 -1.211 0.633 1.668 1.00 0.00 C ATOM 692 C VAL A 44 -0.547 0.359 3.019 1.00 0.00 C ATOM 693 O VAL A 44 0.609 0.720 3.231 1.00 0.00 O ATOM 694 CB VAL A 44 -0.599 -0.181 0.526 1.00 0.00 C ATOM 695 CG1 VAL A 44 0.891 0.131 0.367 1.00 0.00 C ATOM 696 CG2 VAL A 44 -0.825 -1.679 0.738 1.00 0.00 C ATOM 0 H VAL A 44 -0.224 2.479 1.582 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.253 0.323 1.750 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.102 0.107 -0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.301 -0.461 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.019 1.191 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.415 -0.115 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.380 -2.234 -0.088 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.361 -1.988 1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.895 -1.883 0.778 1.00 0.00 H new ATOM 706 N LYS A 45 -1.308 -0.276 3.898 1.00 0.00 N ATOM 707 CA LYS A 45 -0.809 -0.601 5.223 1.00 0.00 C ATOM 708 C LYS A 45 -0.774 -2.122 5.391 1.00 0.00 C ATOM 709 O LYS A 45 -1.815 -2.777 5.367 1.00 0.00 O ATOM 710 CB LYS A 45 -1.629 0.117 6.297 1.00 0.00 C ATOM 711 CG LYS A 45 -0.745 0.537 7.473 1.00 0.00 C ATOM 712 CD LYS A 45 -1.551 1.314 8.515 1.00 0.00 C ATOM 713 CE LYS A 45 -2.072 2.631 7.936 1.00 0.00 C ATOM 714 NZ LYS A 45 -2.069 3.689 8.970 1.00 0.00 N ATOM 0 H LYS A 45 -2.267 -0.574 3.718 1.00 0.00 H new ATOM 0 HA LYS A 45 0.213 -0.242 5.343 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.109 0.996 5.866 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.424 -0.539 6.651 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.304 -0.346 7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.078 1.153 7.112 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.389 0.707 8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.927 1.517 9.385 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.451 2.936 7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.083 2.492 7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.425 4.576 8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.680 3.403 9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.099 3.833 9.317 1.00 0.00 H new ATOM 728 N VAL A 46 0.435 -2.639 5.557 1.00 0.00 N ATOM 729 CA VAL A 46 0.619 -4.070 5.729 1.00 0.00 C ATOM 730 C VAL A 46 1.460 -4.325 6.981 1.00 0.00 C ATOM 731 O VAL A 46 2.654 -4.030 7.003 1.00 0.00 O ATOM 732 CB VAL A 46 1.233 -4.674 4.464 1.00 0.00 C ATOM 733 CG1 VAL A 46 2.123 -5.871 4.804 1.00 0.00 C ATOM 734 CG2 VAL A 46 0.147 -5.066 3.460 1.00 0.00 C ATOM 0 H VAL A 46 1.296 -2.093 5.576 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.342 -4.563 5.876 1.00 0.00 H new ATOM 0 HB VAL A 46 1.859 -3.912 3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.547 -6.281 3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.929 -5.550 5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.529 -6.636 5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.611 -5.492 2.570 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.517 -5.803 3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.427 -4.182 3.182 1.00 0.00 H new ATOM 744 N GLY A 47 0.803 -4.870 7.995 1.00 0.00 N ATOM 745 CA GLY A 47 1.475 -5.168 9.248 1.00 0.00 C ATOM 746 C GLY A 47 2.106 -3.909 9.845 1.00 0.00 C ATOM 747 O GLY A 47 1.399 -2.985 10.245 1.00 0.00 O ATOM 0 H GLY A 47 -0.187 -5.113 7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.762 -5.592 9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.245 -5.921 9.082 1.00 0.00 H new ATOM 751 N ASN A 48 3.430 -3.912 9.886 1.00 0.00 N ATOM 752 CA ASN A 48 4.165 -2.781 10.427 1.00 0.00 C ATOM 753 C ASN A 48 4.844 -2.025 9.283 1.00 0.00 C ATOM 754 O ASN A 48 5.845 -1.342 9.493 1.00 0.00 O ATOM 755 CB ASN A 48 5.253 -3.245 11.398 1.00 0.00 C ATOM 756 CG ASN A 48 4.643 -3.711 12.721 1.00 0.00 C ATOM 757 OD1 ASN A 48 3.475 -3.504 13.004 1.00 0.00 O ATOM 758 ND2 ASN A 48 5.497 -4.352 13.514 1.00 0.00 N ATOM 0 H ASN A 48 4.013 -4.680 9.553 1.00 0.00 H new ATOM 0 HA ASN A 48 3.458 -2.141 10.956 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.823 -4.059 10.949 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.952 -2.430 11.583 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.186 -4.704 14.420 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.463 -4.492 13.216 1.00 0.00 H new ATOM 765 N GLU A 49 4.272 -2.173 8.097 1.00 0.00 N ATOM 766 CA GLU A 49 4.810 -1.513 6.919 1.00 0.00 C ATOM 767 C GLU A 49 3.710 -0.726 6.203 1.00 0.00 C ATOM 768 O GLU A 49 2.531 -1.063 6.310 1.00 0.00 O ATOM 769 CB GLU A 49 5.465 -2.523 5.975 1.00 0.00 C ATOM 770 CG GLU A 49 6.926 -2.764 6.358 1.00 0.00 C ATOM 771 CD GLU A 49 7.044 -3.883 7.394 1.00 0.00 C ATOM 772 OE1 GLU A 49 6.536 -4.986 7.098 1.00 0.00 O ATOM 773 OE2 GLU A 49 7.641 -3.611 8.458 1.00 0.00 O ATOM 0 H GLU A 49 3.442 -2.740 7.926 1.00 0.00 H new ATOM 0 HA GLU A 49 5.581 -0.813 7.239 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.917 -3.465 6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.410 -2.157 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.500 -3.025 5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.357 -1.846 6.758 1.00 0.00 H new ATOM 780 N VAL A 50 4.134 0.306 5.489 1.00 0.00 N ATOM 781 CA VAL A 50 3.199 1.143 4.756 1.00 0.00 C ATOM 782 C VAL A 50 3.814 1.526 3.408 1.00 0.00 C ATOM 783 O VAL A 50 5.035 1.567 3.268 1.00 0.00 O ATOM 784 CB VAL A 50 2.810 2.358 5.602 1.00 0.00 C ATOM 785 CG1 VAL A 50 3.592 3.600 5.170 1.00 0.00 C ATOM 786 CG2 VAL A 50 1.302 2.609 5.537 1.00 0.00 C ATOM 0 H VAL A 50 5.112 0.582 5.402 1.00 0.00 H new ATOM 0 HA VAL A 50 2.278 0.598 4.551 1.00 0.00 H new ATOM 0 HB VAL A 50 3.070 2.143 6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.297 4.449 5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.660 3.418 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.377 3.820 4.124 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.051 3.477 6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.008 2.793 4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.771 1.735 5.915 1.00 0.00 H new ATOM 796 N ALA A 51 2.939 1.796 2.451 1.00 0.00 N ATOM 797 CA ALA A 51 3.380 2.174 1.119 1.00 0.00 C ATOM 798 C ALA A 51 2.334 3.091 0.481 1.00 0.00 C ATOM 799 O ALA A 51 1.258 3.294 1.040 1.00 0.00 O ATOM 800 CB ALA A 51 3.635 0.914 0.289 1.00 0.00 C ATOM 0 H ALA A 51 1.927 1.761 2.571 1.00 0.00 H new ATOM 0 HA ALA A 51 4.318 2.728 1.168 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.966 1.197 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.406 0.312 0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.715 0.334 0.216 1.00 0.00 H new ATOM 806 N THR A 52 2.688 3.621 -0.681 1.00 0.00 N ATOM 807 CA THR A 52 1.794 4.512 -1.401 1.00 0.00 C ATOM 808 C THR A 52 1.986 4.355 -2.910 1.00 0.00 C ATOM 809 O THR A 52 3.048 3.929 -3.363 1.00 0.00 O ATOM 810 CB THR A 52 2.043 5.936 -0.901 1.00 0.00 C ATOM 811 OG1 THR A 52 3.448 5.984 -0.672 1.00 0.00 O ATOM 812 CG2 THR A 52 1.432 6.188 0.479 1.00 0.00 C ATOM 0 H THR A 52 3.582 3.450 -1.142 1.00 0.00 H new ATOM 0 HA THR A 52 0.750 4.263 -1.211 1.00 0.00 H new ATOM 0 HB THR A 52 1.631 6.648 -1.616 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.696 6.875 -0.347 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.638 7.213 0.786 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.354 6.032 0.434 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.868 5.498 1.201 1.00 0.00 H new ATOM 820 N GLY A 53 0.943 4.706 -3.647 1.00 0.00 N ATOM 821 CA GLY A 53 0.984 4.610 -5.096 1.00 0.00 C ATOM 822 C GLY A 53 0.038 5.625 -5.740 1.00 0.00 C ATOM 823 O GLY A 53 -0.998 5.964 -5.169 1.00 0.00 O ATOM 0 H GLY A 53 0.064 5.058 -3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.002 4.783 -5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.707 3.602 -5.405 1.00 0.00 H new ATOM 827 N THR A 54 0.428 6.083 -6.921 1.00 0.00 N ATOM 828 CA THR A 54 -0.373 7.054 -7.649 1.00 0.00 C ATOM 829 C THR A 54 -0.436 6.687 -9.133 1.00 0.00 C ATOM 830 O THR A 54 0.506 6.108 -9.673 1.00 0.00 O ATOM 831 CB THR A 54 0.216 8.442 -7.390 1.00 0.00 C ATOM 832 OG1 THR A 54 1.558 8.342 -7.860 1.00 0.00 O ATOM 833 CG2 THR A 54 0.365 8.746 -5.898 1.00 0.00 C ATOM 0 H THR A 54 1.287 5.800 -7.392 1.00 0.00 H new ATOM 0 HA THR A 54 -1.406 7.054 -7.302 1.00 0.00 H new ATOM 0 HB THR A 54 -0.419 9.198 -7.852 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.014 9.200 -7.732 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.787 9.743 -5.770 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.613 8.702 -5.418 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.027 8.010 -5.441 1.00 0.00 H new ATOM 841 N GLY A 55 -1.554 7.039 -9.749 1.00 0.00 N ATOM 842 CA GLY A 55 -1.752 6.755 -11.160 1.00 0.00 C ATOM 843 C GLY A 55 -2.822 7.670 -11.760 1.00 0.00 C ATOM 844 O GLY A 55 -3.144 8.711 -11.189 1.00 0.00 O ATOM 0 H GLY A 55 -2.333 7.518 -9.297 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.813 6.888 -11.696 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.047 5.713 -11.287 1.00 0.00 H new ATOM 848 N PRO A 56 -3.357 7.237 -12.933 1.00 0.00 N ATOM 849 CA PRO A 56 -4.384 8.006 -13.615 1.00 0.00 C ATOM 850 C PRO A 56 -5.734 7.867 -12.909 1.00 0.00 C ATOM 851 O PRO A 56 -6.647 8.656 -13.147 1.00 0.00 O ATOM 852 CB PRO A 56 -4.399 7.467 -15.037 1.00 0.00 C ATOM 853 CG PRO A 56 -3.714 6.112 -14.976 1.00 0.00 C ATOM 854 CD PRO A 56 -3.000 6.010 -13.638 1.00 0.00 C ATOM 0 HA PRO A 56 -4.180 9.077 -13.610 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.420 7.372 -15.408 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.874 8.140 -15.715 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.445 5.310 -15.081 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.004 6.006 -15.796 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.321 5.128 -13.084 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.921 5.929 -13.770 1.00 0.00 H new ATOM 862 N ASN A 57 -5.817 6.858 -12.054 1.00 0.00 N ATOM 863 CA ASN A 57 -7.040 6.606 -11.311 1.00 0.00 C ATOM 864 C ASN A 57 -6.706 5.827 -10.037 1.00 0.00 C ATOM 865 O ASN A 57 -5.669 5.170 -9.961 1.00 0.00 O ATOM 866 CB ASN A 57 -8.021 5.769 -12.134 1.00 0.00 C ATOM 867 CG ASN A 57 -7.340 4.518 -12.693 1.00 0.00 C ATOM 868 OD1 ASN A 57 -7.683 3.394 -12.366 1.00 0.00 O ATOM 869 ND2 ASN A 57 -6.359 4.776 -13.553 1.00 0.00 N ATOM 0 H ASN A 57 -5.057 6.206 -11.859 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.496 7.567 -11.075 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.868 5.479 -11.512 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.418 6.368 -12.953 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.843 4.009 -13.983 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.123 5.741 -13.783 1.00 0.00 H new ATOM 876 N LYS A 58 -7.605 5.925 -9.069 1.00 0.00 N ATOM 877 CA LYS A 58 -7.419 5.237 -7.803 1.00 0.00 C ATOM 878 C LYS A 58 -7.074 3.771 -8.069 1.00 0.00 C ATOM 879 O LYS A 58 -6.105 3.247 -7.522 1.00 0.00 O ATOM 880 CB LYS A 58 -8.643 5.428 -6.904 1.00 0.00 C ATOM 881 CG LYS A 58 -8.519 4.597 -5.626 1.00 0.00 C ATOM 882 CD LYS A 58 -9.838 3.893 -5.300 1.00 0.00 C ATOM 883 CE LYS A 58 -10.846 4.872 -4.692 1.00 0.00 C ATOM 884 NZ LYS A 58 -11.897 4.140 -3.950 1.00 0.00 N ATOM 0 H LYS A 58 -8.464 6.470 -9.136 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.580 5.667 -7.256 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.750 6.482 -6.648 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.544 5.139 -7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.727 3.857 -5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.232 5.241 -4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.254 3.454 -6.207 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.655 3.074 -4.604 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.333 5.562 -4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.300 5.472 -5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.572 4.819 -3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.398 3.499 -4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.461 3.587 -3.185 1.00 0.00 H new ATOM 898 N LYS A 59 -7.887 3.148 -8.910 1.00 0.00 N ATOM 899 CA LYS A 59 -7.681 1.752 -9.256 1.00 0.00 C ATOM 900 C LYS A 59 -6.185 1.495 -9.447 1.00 0.00 C ATOM 901 O LYS A 59 -5.583 0.725 -8.699 1.00 0.00 O ATOM 902 CB LYS A 59 -8.530 1.370 -10.470 1.00 0.00 C ATOM 903 CG LYS A 59 -9.691 0.461 -10.061 1.00 0.00 C ATOM 904 CD LYS A 59 -10.846 1.276 -9.475 1.00 0.00 C ATOM 905 CE LYS A 59 -11.602 2.025 -10.574 1.00 0.00 C ATOM 906 NZ LYS A 59 -13.055 2.034 -10.290 1.00 0.00 N ATOM 0 H LYS A 59 -8.690 3.585 -9.362 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.016 1.105 -8.445 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.918 2.271 -10.945 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.909 0.863 -11.208 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.040 -0.101 -10.927 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.346 -0.267 -9.327 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.530 0.614 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.460 1.987 -8.745 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.233 3.048 -10.645 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.417 1.552 -11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.553 2.546 -11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.406 1.056 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.228 2.506 -9.380 1.00 0.00 H new ATOM 920 N ILE A 60 -5.627 2.153 -10.453 1.00 0.00 N ATOM 921 CA ILE A 60 -4.213 2.005 -10.751 1.00 0.00 C ATOM 922 C ILE A 60 -3.391 2.454 -9.541 1.00 0.00 C ATOM 923 O ILE A 60 -2.358 1.861 -9.233 1.00 0.00 O ATOM 924 CB ILE A 60 -3.858 2.743 -12.044 1.00 0.00 C ATOM 925 CG1 ILE A 60 -4.540 2.095 -13.250 1.00 0.00 C ATOM 926 CG2 ILE A 60 -2.341 2.835 -12.224 1.00 0.00 C ATOM 927 CD1 ILE A 60 -4.009 2.679 -14.560 1.00 0.00 C ATOM 0 H ILE A 60 -6.129 2.790 -11.072 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.969 0.958 -10.931 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.236 3.763 -11.970 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.371 1.018 -13.233 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.617 2.249 -13.189 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.116 3.364 -13.150 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.907 3.375 -11.383 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.918 1.831 -12.267 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.511 2.201 -15.401 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.202 3.752 -14.585 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.936 2.501 -14.629 1.00 0.00 H new ATOM 939 N ALA A 61 -3.880 3.498 -8.888 1.00 0.00 N ATOM 940 CA ALA A 61 -3.203 4.033 -7.719 1.00 0.00 C ATOM 941 C ALA A 61 -2.922 2.897 -6.733 1.00 0.00 C ATOM 942 O ALA A 61 -1.776 2.674 -6.348 1.00 0.00 O ATOM 943 CB ALA A 61 -4.054 5.145 -7.101 1.00 0.00 C ATOM 0 H ALA A 61 -4.737 3.988 -9.146 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.245 4.472 -7.997 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.547 5.547 -6.224 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.200 5.940 -7.832 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -5.023 4.741 -6.806 1.00 0.00 H new ATOM 949 N LYS A 62 -3.989 2.210 -6.353 1.00 0.00 N ATOM 950 CA LYS A 62 -3.872 1.103 -5.419 1.00 0.00 C ATOM 951 C LYS A 62 -2.810 0.125 -5.925 1.00 0.00 C ATOM 952 O LYS A 62 -2.011 -0.390 -5.144 1.00 0.00 O ATOM 953 CB LYS A 62 -5.238 0.457 -5.179 1.00 0.00 C ATOM 954 CG LYS A 62 -5.141 -0.661 -4.139 1.00 0.00 C ATOM 955 CD LYS A 62 -5.826 -1.935 -4.638 1.00 0.00 C ATOM 956 CE LYS A 62 -7.318 -1.697 -4.878 1.00 0.00 C ATOM 957 NZ LYS A 62 -8.081 -1.888 -3.625 1.00 0.00 N ATOM 0 H LYS A 62 -4.938 2.398 -6.675 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.539 1.461 -4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.947 1.213 -4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.624 0.055 -6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.094 -0.869 -3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.603 -0.336 -3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.354 -2.268 -5.562 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.694 -2.733 -3.907 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.475 -0.687 -5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.684 -2.383 -5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.092 -1.723 -3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.945 -2.860 -3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.743 -1.216 -2.907 1.00 0.00 H new ATOM 971 N LYS A 63 -2.835 -0.103 -7.230 1.00 0.00 N ATOM 972 CA LYS A 63 -1.884 -1.010 -7.850 1.00 0.00 C ATOM 973 C LYS A 63 -0.465 -0.477 -7.640 1.00 0.00 C ATOM 974 O LYS A 63 0.448 -1.240 -7.328 1.00 0.00 O ATOM 975 CB LYS A 63 -2.243 -1.241 -9.319 1.00 0.00 C ATOM 976 CG LYS A 63 -3.190 -2.432 -9.472 1.00 0.00 C ATOM 977 CD LYS A 63 -4.598 -2.080 -8.987 1.00 0.00 C ATOM 978 CE LYS A 63 -5.545 -1.858 -10.168 1.00 0.00 C ATOM 979 NZ LYS A 63 -6.281 -3.102 -10.483 1.00 0.00 N ATOM 0 H LYS A 63 -3.499 0.325 -7.875 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.930 -1.991 -7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.711 -0.345 -9.728 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.335 -1.418 -9.895 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.228 -2.739 -10.517 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.808 -3.280 -8.904 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.980 -2.882 -8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.561 -1.181 -8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.250 -1.061 -9.931 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.978 -1.533 -11.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.919 -2.934 -11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.605 -3.853 -10.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.837 -3.395 -9.655 1.00 0.00 H new ATOM 993 N ASN A 64 -0.325 0.828 -7.818 1.00 0.00 N ATOM 994 CA ASN A 64 0.966 1.472 -7.652 1.00 0.00 C ATOM 995 C ASN A 64 1.363 1.435 -6.175 1.00 0.00 C ATOM 996 O ASN A 64 2.547 1.493 -5.845 1.00 0.00 O ATOM 997 CB ASN A 64 0.912 2.937 -8.091 1.00 0.00 C ATOM 998 CG ASN A 64 1.462 3.105 -9.509 1.00 0.00 C ATOM 999 OD1 ASN A 64 2.655 3.239 -9.728 1.00 0.00 O ATOM 1000 ND2 ASN A 64 0.529 3.091 -10.456 1.00 0.00 N ATOM 0 H ASN A 64 -1.085 1.457 -8.076 1.00 0.00 H new ATOM 0 HA ASN A 64 1.691 0.938 -8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.117 3.295 -8.051 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.489 3.549 -7.398 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.795 3.196 -11.435 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.452 2.975 -10.203 1.00 0.00 H new ATOM 1007 N ALA A 65 0.351 1.339 -5.325 1.00 0.00 N ATOM 1008 CA ALA A 65 0.580 1.294 -3.891 1.00 0.00 C ATOM 1009 C ALA A 65 1.118 -0.086 -3.508 1.00 0.00 C ATOM 1010 O ALA A 65 2.151 -0.192 -2.849 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.717 1.639 -3.156 1.00 0.00 C ATOM 0 H ALA A 65 -0.629 1.291 -5.602 1.00 0.00 H new ATOM 0 HA ALA A 65 1.327 2.032 -3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.546 1.605 -2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.041 2.640 -3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.489 0.918 -3.423 1.00 0.00 H new ATOM 1017 N ALA A 66 0.393 -1.108 -3.937 1.00 0.00 N ATOM 1018 CA ALA A 66 0.785 -2.477 -3.647 1.00 0.00 C ATOM 1019 C ALA A 66 2.174 -2.740 -4.230 1.00 0.00 C ATOM 1020 O ALA A 66 2.963 -3.487 -3.653 1.00 0.00 O ATOM 1021 CB ALA A 66 -0.270 -3.438 -4.199 1.00 0.00 C ATOM 0 H ALA A 66 -0.464 -1.016 -4.483 1.00 0.00 H new ATOM 0 HA ALA A 66 0.843 -2.639 -2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.024 -4.465 -3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.232 -3.229 -3.732 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.354 -3.305 -5.278 1.00 0.00 H new ATOM 1027 N GLU A 67 2.433 -2.110 -5.367 1.00 0.00 N ATOM 1028 CA GLU A 67 3.714 -2.267 -6.035 1.00 0.00 C ATOM 1029 C GLU A 67 4.844 -1.754 -5.140 1.00 0.00 C ATOM 1030 O GLU A 67 5.720 -2.520 -4.741 1.00 0.00 O ATOM 1031 CB GLU A 67 3.718 -1.552 -7.387 1.00 0.00 C ATOM 1032 CG GLU A 67 5.008 -1.843 -8.157 1.00 0.00 C ATOM 1033 CD GLU A 67 5.229 -0.812 -9.266 1.00 0.00 C ATOM 1034 OE1 GLU A 67 5.044 0.388 -8.970 1.00 0.00 O ATOM 1035 OE2 GLU A 67 5.578 -1.247 -10.384 1.00 0.00 O ATOM 0 H GLU A 67 1.777 -1.490 -5.842 1.00 0.00 H new ATOM 0 HA GLU A 67 3.878 -3.328 -6.222 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.859 -1.874 -7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.616 -0.478 -7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.855 -1.832 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.960 -2.843 -8.589 1.00 0.00 H new ATOM 1042 N ALA A 68 4.788 -0.462 -4.852 1.00 0.00 N ATOM 1043 CA ALA A 68 5.797 0.162 -4.013 1.00 0.00 C ATOM 1044 C ALA A 68 6.031 -0.705 -2.774 1.00 0.00 C ATOM 1045 O ALA A 68 7.170 -0.901 -2.355 1.00 0.00 O ATOM 1046 CB ALA A 68 5.356 1.583 -3.655 1.00 0.00 C ATOM 0 H ALA A 68 4.060 0.170 -5.185 1.00 0.00 H new ATOM 0 HA ALA A 68 6.745 0.239 -4.546 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.113 2.051 -3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.232 2.166 -4.567 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.409 1.545 -3.117 1.00 0.00 H new ATOM 1052 N MET A 69 4.933 -1.202 -2.223 1.00 0.00 N ATOM 1053 CA MET A 69 5.004 -2.043 -1.040 1.00 0.00 C ATOM 1054 C MET A 69 5.898 -3.260 -1.286 1.00 0.00 C ATOM 1055 O MET A 69 6.776 -3.563 -0.479 1.00 0.00 O ATOM 1056 CB MET A 69 3.597 -2.512 -0.662 1.00 0.00 C ATOM 1057 CG MET A 69 3.648 -3.541 0.469 1.00 0.00 C ATOM 1058 SD MET A 69 4.528 -2.868 1.868 1.00 0.00 S ATOM 1059 CE MET A 69 3.156 -2.258 2.833 1.00 0.00 C ATOM 0 H MET A 69 3.989 -1.038 -2.574 1.00 0.00 H new ATOM 0 HA MET A 69 5.433 -1.458 -0.226 1.00 0.00 H new ATOM 0 HB2 MET A 69 2.995 -1.657 -0.354 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.109 -2.948 -1.534 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.636 -3.819 0.765 1.00 0.00 H new ATOM 0 HG3 MET A 69 4.140 -4.450 0.123 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.099 -1.173 2.740 1.00 0.00 H new ATOM 0 HE2 MET A 69 2.229 -2.702 2.470 1.00 0.00 H new ATOM 0 HE3 MET A 69 3.300 -2.525 3.880 1.00 0.00 H new ATOM 1069 N LEU A 70 5.645 -3.924 -2.405 1.00 0.00 N ATOM 1070 CA LEU A 70 6.417 -5.101 -2.767 1.00 0.00 C ATOM 1071 C LEU A 70 7.893 -4.718 -2.895 1.00 0.00 C ATOM 1072 O LEU A 70 8.768 -5.435 -2.412 1.00 0.00 O ATOM 1073 CB LEU A 70 5.839 -5.754 -4.024 1.00 0.00 C ATOM 1074 CG LEU A 70 4.352 -6.108 -3.973 1.00 0.00 C ATOM 1075 CD1 LEU A 70 3.684 -5.864 -5.328 1.00 0.00 C ATOM 1076 CD2 LEU A 70 4.145 -7.542 -3.482 1.00 0.00 C ATOM 0 H LEU A 70 4.917 -3.669 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 70 6.351 -5.857 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.003 -5.082 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.402 -6.665 -4.228 1.00 0.00 H new ATOM 0 HG LEU A 70 3.869 -5.449 -3.252 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.627 -6.124 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.784 -4.813 -5.599 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.164 -6.482 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.079 -7.767 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.645 -8.234 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.563 -7.648 -2.481 1.00 0.00 H new ATOM 1088 N LEU A 71 8.124 -3.589 -3.549 1.00 0.00 N ATOM 1089 CA LEU A 71 9.478 -3.103 -3.747 1.00 0.00 C ATOM 1090 C LEU A 71 10.160 -2.937 -2.387 1.00 0.00 C ATOM 1091 O LEU A 71 11.336 -3.263 -2.234 1.00 0.00 O ATOM 1092 CB LEU A 71 9.471 -1.826 -4.591 1.00 0.00 C ATOM 1093 CG LEU A 71 9.223 -2.014 -6.089 1.00 0.00 C ATOM 1094 CD1 LEU A 71 10.538 -1.977 -6.871 1.00 0.00 C ATOM 1095 CD2 LEU A 71 8.432 -3.296 -6.357 1.00 0.00 C ATOM 0 H LEU A 71 7.396 -2.997 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 71 10.064 -3.828 -4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.705 -1.158 -4.197 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.430 -1.323 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 71 8.615 -1.181 -6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.334 -2.113 -7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.027 -1.015 -6.716 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.191 -2.777 -6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.269 -3.406 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.993 -4.154 -5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.470 -3.243 -5.848 1.00 0.00 H new ATOM 1107 N GLN A 72 9.392 -2.431 -1.433 1.00 0.00 N ATOM 1108 CA GLN A 72 9.907 -2.218 -0.091 1.00 0.00 C ATOM 1109 C GLN A 72 10.088 -3.557 0.626 1.00 0.00 C ATOM 1110 O GLN A 72 11.045 -3.738 1.377 1.00 0.00 O ATOM 1111 CB GLN A 72 8.991 -1.288 0.706 1.00 0.00 C ATOM 1112 CG GLN A 72 8.420 -2.000 1.934 1.00 0.00 C ATOM 1113 CD GLN A 72 7.667 -1.021 2.836 1.00 0.00 C ATOM 1114 OE1 GLN A 72 8.120 -0.647 3.905 1.00 0.00 O ATOM 1115 NE2 GLN A 72 6.494 -0.628 2.347 1.00 0.00 N ATOM 0 H GLN A 72 8.417 -2.162 -1.563 1.00 0.00 H new ATOM 0 HA GLN A 72 10.881 -1.735 -0.168 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.548 -0.405 1.020 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.176 -0.942 0.070 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.748 -2.797 1.616 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.228 -2.469 2.495 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.174 -0.980 1.445 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.915 0.025 2.874 1.00 0.00 H new ATOM 1124 N LEU A 73 9.153 -4.460 0.370 1.00 0.00 N ATOM 1125 CA LEU A 73 9.197 -5.777 0.982 1.00 0.00 C ATOM 1126 C LEU A 73 10.435 -6.525 0.483 1.00 0.00 C ATOM 1127 O LEU A 73 11.103 -7.213 1.255 1.00 0.00 O ATOM 1128 CB LEU A 73 7.886 -6.527 0.737 1.00 0.00 C ATOM 1129 CG LEU A 73 6.663 -6.002 1.491 1.00 0.00 C ATOM 1130 CD1 LEU A 73 5.417 -6.823 1.154 1.00 0.00 C ATOM 1131 CD2 LEU A 73 6.927 -5.954 2.998 1.00 0.00 C ATOM 0 H LEU A 73 8.360 -4.305 -0.253 1.00 0.00 H new ATOM 0 HA LEU A 73 9.290 -5.690 2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.669 -6.500 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.033 -7.573 1.006 1.00 0.00 H new ATOM 0 HG LEU A 73 6.473 -4.980 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.562 -6.429 1.703 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.220 -6.762 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.580 -7.864 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.042 -5.577 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.156 -6.956 3.359 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.771 -5.294 3.199 1.00 0.00 H new ATOM 1143 N GLY A 74 10.705 -6.366 -0.804 1.00 0.00 N ATOM 1144 CA GLY A 74 11.851 -7.018 -1.415 1.00 0.00 C ATOM 1145 C GLY A 74 11.409 -8.162 -2.329 1.00 0.00 C ATOM 1146 O GLY A 74 12.078 -9.191 -2.410 1.00 0.00 O ATOM 0 H GLY A 74 10.150 -5.795 -1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.424 -6.290 -1.989 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.512 -7.403 -0.638 1.00 0.00 H new ATOM 1150 N TYR A 75 10.284 -7.944 -2.994 1.00 0.00 N ATOM 1151 CA TYR A 75 9.744 -8.945 -3.900 1.00 0.00 C ATOM 1152 C TYR A 75 9.952 -8.533 -5.358 1.00 0.00 C ATOM 1153 O TYR A 75 9.852 -9.362 -6.261 1.00 0.00 O ATOM 1154 CB TYR A 75 8.243 -9.010 -3.609 1.00 0.00 C ATOM 1155 CG TYR A 75 7.890 -9.763 -2.325 1.00 0.00 C ATOM 1156 CD1 TYR A 75 8.258 -9.248 -1.099 1.00 0.00 C ATOM 1157 CD2 TYR A 75 7.204 -10.959 -2.393 1.00 0.00 C ATOM 1158 CE1 TYR A 75 7.926 -9.957 0.109 1.00 0.00 C ATOM 1159 CE2 TYR A 75 6.871 -11.668 -1.185 1.00 0.00 C ATOM 1160 CZ TYR A 75 7.249 -11.132 0.007 1.00 0.00 C ATOM 1161 OH TYR A 75 6.935 -11.801 1.148 1.00 0.00 O ATOM 0 H TYR A 75 9.731 -7.090 -2.924 1.00 0.00 H new ATOM 0 HA TYR A 75 10.240 -9.904 -3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.852 -7.995 -3.542 1.00 0.00 H new ATOM 0 HB3 TYR A 75 7.741 -9.490 -4.449 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.795 -8.313 -1.046 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.917 -11.363 -3.353 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.208 -9.565 1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.333 -12.604 -1.224 1.00 0.00 H new ATOM 0 HH TYR A 75 6.451 -12.623 0.923 1.00 0.00 H new