USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 938 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 96:sc= -0.524 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -120:sc= -6.49! USER MOD Single : A 35 ASN : amide:sc= -0.315 K(o=-0.31,f=-0.97!) USER MOD Single : A 37 ASN : amide:sc= -2.66! C(o=-2.7!,f=-8.6!) USER MOD Single : A 45 SER OG : rot 180:sc=-0.00305 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 170:sc= -1.67 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -3.76! C(o=-3.8!,f=-3.5!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 73 HIS : no HD1:sc= -13.9! C(o=-14!,f=-15!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 178:sc= -5.91! (180deg=-6.04!) USER MOD Single : A 82 THR OG1 : rot 79:sc= 0.698 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 85 SER OG : rot 180:sc= -0.656 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 113:sc= 0.0346 USER MOD Single : A 95 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.59) USER MOD Single : A 96 GLN : amide:sc= -0.139 K(o=-0.14,f=-3.9!) USER MOD Single : A 101 TYR OH : rot 62:sc= -4.82! USER MOD Single : A 104 LYS NZ :NH3+ 155:sc= -0.0446 (180deg=-0.333) USER MOD Single : A 120 SER OG : rot 71:sc= -0.0773 USER MOD Single : A 121 HIS : no HD1:sc= -0.615 K(o=-0.61,f=-0.0051) USER MOD Single : A 122 TYR OH : rot 141:sc= 0.0605 USER MOD Single : A 123 GLN : amide:sc= -0.0843 X(o=-0.084,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 -10.011 -12.461 -11.204 1.00 0.00 N ATOM 38 CA ARG A 3 -8.857 -13.043 -11.944 1.00 0.00 C ATOM 39 C ARG A 3 -7.644 -12.134 -11.804 1.00 0.00 C ATOM 40 O ARG A 3 -6.952 -11.838 -12.758 1.00 0.00 O ATOM 41 CB ARG A 3 -9.214 -13.216 -13.422 1.00 0.00 C ATOM 42 CG ARG A 3 -9.363 -14.708 -13.733 1.00 0.00 C ATOM 43 CD ARG A 3 -9.953 -14.885 -15.133 1.00 0.00 C ATOM 44 NE ARG A 3 -10.197 -16.334 -15.385 1.00 0.00 N ATOM 45 CZ ARG A 3 -10.152 -16.801 -16.601 1.00 0.00 C ATOM 46 NH1 ARG A 3 -10.692 -16.126 -17.580 1.00 0.00 N ATOM 47 NH2 ARG A 3 -9.568 -17.943 -16.840 1.00 0.00 N ATOM 0 HA ARG A 3 -8.621 -14.020 -11.523 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -10.142 -12.691 -13.648 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.438 -12.777 -14.050 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.393 -15.201 -13.671 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.009 -15.181 -12.993 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.885 -14.327 -15.221 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.270 -14.484 -15.882 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.399 -16.960 -14.606 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -11.149 -15.233 -17.393 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.657 -16.491 -18.532 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.147 -18.470 -16.075 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.533 -18.309 -17.792 1.00 0.00 H new ATOM 61 N GLY A 4 -7.377 -11.704 -10.609 1.00 0.00 N ATOM 62 CA GLY A 4 -6.197 -10.822 -10.378 1.00 0.00 C ATOM 63 C GLY A 4 -6.345 -10.084 -9.046 1.00 0.00 C ATOM 64 O GLY A 4 -7.396 -10.077 -8.440 1.00 0.00 O ATOM 0 H GLY A 4 -7.924 -11.923 -9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.284 -11.417 -10.373 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.105 -10.103 -11.193 1.00 0.00 H new ATOM 68 N ILE A 5 -5.295 -9.451 -8.592 1.00 0.00 N ATOM 69 CA ILE A 5 -5.364 -8.694 -7.306 1.00 0.00 C ATOM 70 C ILE A 5 -4.485 -7.447 -7.434 1.00 0.00 C ATOM 71 O ILE A 5 -3.274 -7.527 -7.394 1.00 0.00 O ATOM 72 CB ILE A 5 -4.863 -9.555 -6.135 1.00 0.00 C ATOM 73 CG1 ILE A 5 -4.275 -10.876 -6.649 1.00 0.00 C ATOM 74 CG2 ILE A 5 -6.022 -9.842 -5.183 1.00 0.00 C ATOM 75 CD1 ILE A 5 -4.153 -11.874 -5.495 1.00 0.00 C ATOM 0 H ILE A 5 -4.388 -9.425 -9.059 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.399 -8.418 -7.106 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.080 -9.010 -5.607 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.912 -11.288 -7.432 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.296 -10.700 -7.094 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.668 -10.452 -4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.419 -8.902 -4.799 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.808 -10.377 -5.717 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.735 -12.810 -5.866 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.498 -11.463 -4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.139 -12.060 -5.069 1.00 0.00 H new ATOM 87 N VAL A 6 -5.077 -6.296 -7.605 1.00 0.00 N ATOM 88 CA VAL A 6 -4.254 -5.059 -7.758 1.00 0.00 C ATOM 89 C VAL A 6 -4.603 -4.050 -6.658 1.00 0.00 C ATOM 90 O VAL A 6 -5.704 -3.545 -6.602 1.00 0.00 O ATOM 91 CB VAL A 6 -4.533 -4.442 -9.140 1.00 0.00 C ATOM 92 CG1 VAL A 6 -4.263 -2.930 -9.123 1.00 0.00 C ATOM 93 CG2 VAL A 6 -3.621 -5.097 -10.178 1.00 0.00 C ATOM 0 H VAL A 6 -6.087 -6.157 -7.645 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.198 -5.313 -7.672 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.580 -4.612 -9.393 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.466 -2.513 -10.109 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.910 -2.453 -8.387 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.221 -2.749 -8.861 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.815 -4.663 -11.159 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.579 -4.927 -9.906 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.817 -6.169 -10.210 1.00 0.00 H new ATOM 103 N TRP A 7 -3.672 -3.733 -5.795 1.00 0.00 N ATOM 104 CA TRP A 7 -3.977 -2.736 -4.729 1.00 0.00 C ATOM 105 C TRP A 7 -3.422 -1.374 -5.137 1.00 0.00 C ATOM 106 O TRP A 7 -2.365 -0.961 -4.700 1.00 0.00 O ATOM 107 CB TRP A 7 -3.364 -3.154 -3.394 1.00 0.00 C ATOM 108 CG TRP A 7 -4.403 -2.993 -2.330 1.00 0.00 C ATOM 109 CD1 TRP A 7 -5.059 -1.843 -2.051 1.00 0.00 C ATOM 110 CD2 TRP A 7 -4.927 -3.994 -1.416 1.00 0.00 C ATOM 111 NE1 TRP A 7 -5.956 -2.079 -1.024 1.00 0.00 N ATOM 112 CE2 TRP A 7 -5.913 -3.391 -0.600 1.00 0.00 C ATOM 113 CE3 TRP A 7 -4.645 -5.352 -1.221 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -6.598 -4.117 0.376 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -5.330 -6.089 -0.241 1.00 0.00 C ATOM 116 CH2 TRP A 7 -6.307 -5.472 0.555 1.00 0.00 C ATOM 0 H TRP A 7 -2.727 -4.116 -5.782 1.00 0.00 H new ATOM 0 HA TRP A 7 -5.059 -2.680 -4.608 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -3.024 -4.189 -3.439 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.491 -2.541 -3.168 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -4.907 -0.896 -2.548 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -6.573 -1.370 -0.629 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.895 -5.836 -1.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -7.347 -3.635 0.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.104 -7.135 -0.099 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -6.833 -6.044 1.305 1.00 0.00 H new ATOM 127 N VAL A 8 -4.130 -0.674 -5.976 1.00 0.00 N ATOM 128 CA VAL A 8 -3.659 0.662 -6.427 1.00 0.00 C ATOM 129 C VAL A 8 -3.708 1.642 -5.248 1.00 0.00 C ATOM 130 O VAL A 8 -4.652 1.660 -4.481 1.00 0.00 O ATOM 131 CB VAL A 8 -4.579 1.142 -7.553 1.00 0.00 C ATOM 132 CG1 VAL A 8 -4.471 2.662 -7.717 1.00 0.00 C ATOM 133 CG2 VAL A 8 -4.176 0.463 -8.863 1.00 0.00 C ATOM 0 H VAL A 8 -5.022 -0.973 -6.371 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.633 0.604 -6.791 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.608 0.884 -7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.130 2.989 -8.521 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.763 3.150 -6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.443 2.930 -7.960 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.830 0.804 -9.666 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.144 0.719 -9.103 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.266 -0.618 -8.755 1.00 0.00 H new ATOM 143 N VAL A 9 -2.701 2.459 -5.099 1.00 0.00 N ATOM 144 CA VAL A 9 -2.696 3.437 -3.974 1.00 0.00 C ATOM 145 C VAL A 9 -3.452 4.695 -4.401 1.00 0.00 C ATOM 146 O VAL A 9 -2.992 5.461 -5.224 1.00 0.00 O ATOM 147 CB VAL A 9 -1.255 3.801 -3.614 1.00 0.00 C ATOM 148 CG1 VAL A 9 -1.256 4.794 -2.451 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.499 2.535 -3.204 1.00 0.00 C ATOM 0 H VAL A 9 -1.883 2.492 -5.707 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.181 2.995 -3.103 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.766 4.254 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.229 5.054 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.796 5.695 -2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.743 4.342 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.529 2.792 -2.947 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.987 2.083 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.499 1.827 -4.032 1.00 0.00 H new ATOM 159 N ASP A 10 -4.616 4.907 -3.854 1.00 0.00 N ATOM 160 CA ASP A 10 -5.414 6.104 -4.229 1.00 0.00 C ATOM 161 C ASP A 10 -5.010 7.293 -3.353 1.00 0.00 C ATOM 162 O ASP A 10 -4.054 7.232 -2.606 1.00 0.00 O ATOM 163 CB ASP A 10 -6.895 5.797 -4.019 1.00 0.00 C ATOM 164 CG ASP A 10 -7.431 5.016 -5.221 1.00 0.00 C ATOM 165 OD1 ASP A 10 -6.756 4.994 -6.236 1.00 0.00 O ATOM 166 OD2 ASP A 10 -8.508 4.455 -5.105 1.00 0.00 O ATOM 0 H ASP A 10 -5.050 4.299 -3.160 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.230 6.353 -5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.031 5.218 -3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.455 6.724 -3.895 1.00 0.00 H new ATOM 171 N ASP A 11 -5.733 8.375 -3.444 1.00 0.00 N ATOM 172 CA ASP A 11 -5.401 9.572 -2.627 1.00 0.00 C ATOM 173 C ASP A 11 -6.077 9.464 -1.258 1.00 0.00 C ATOM 174 O ASP A 11 -5.497 8.982 -0.305 1.00 0.00 O ATOM 175 CB ASP A 11 -5.907 10.820 -3.348 1.00 0.00 C ATOM 176 CG ASP A 11 -4.966 11.161 -4.505 1.00 0.00 C ATOM 177 OD1 ASP A 11 -4.294 10.261 -4.980 1.00 0.00 O ATOM 178 OD2 ASP A 11 -4.934 12.315 -4.895 1.00 0.00 O ATOM 0 H ASP A 11 -6.544 8.480 -4.053 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.322 9.636 -2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.916 10.651 -3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.962 11.657 -2.652 1.00 0.00 H new ATOM 183 N ASP A 12 -7.298 9.912 -1.151 1.00 0.00 N ATOM 184 CA ASP A 12 -8.010 9.839 0.157 1.00 0.00 C ATOM 185 C ASP A 12 -9.162 8.837 0.060 1.00 0.00 C ATOM 186 O ASP A 12 -9.497 8.359 -1.006 1.00 0.00 O ATOM 187 CB ASP A 12 -8.568 11.220 0.511 1.00 0.00 C ATOM 188 CG ASP A 12 -7.681 11.872 1.572 1.00 0.00 C ATOM 189 OD1 ASP A 12 -6.654 11.298 1.893 1.00 0.00 O ATOM 190 OD2 ASP A 12 -8.044 12.937 2.046 1.00 0.00 O ATOM 0 H ASP A 12 -7.834 10.326 -1.914 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.313 9.516 0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.608 11.847 -0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.589 11.127 0.882 1.00 0.00 H new ATOM 195 N SER A 13 -9.772 8.514 1.168 1.00 0.00 N ATOM 196 CA SER A 13 -10.902 7.545 1.141 1.00 0.00 C ATOM 197 C SER A 13 -11.902 7.956 0.056 1.00 0.00 C ATOM 198 O SER A 13 -11.869 9.064 -0.442 1.00 0.00 O ATOM 199 CB SER A 13 -11.599 7.536 2.502 1.00 0.00 C ATOM 200 OG SER A 13 -11.817 8.875 2.926 1.00 0.00 O ATOM 0 H SER A 13 -9.536 8.880 2.090 1.00 0.00 H new ATOM 0 HA SER A 13 -10.520 6.548 0.923 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.548 7.005 2.434 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.988 7.006 3.233 1.00 0.00 H new ATOM 0 HG SER A 13 -12.265 8.873 3.797 1.00 0.00 H new ATOM 206 N SER A 14 -12.785 7.068 -0.314 1.00 0.00 N ATOM 207 CA SER A 14 -13.790 7.395 -1.369 1.00 0.00 C ATOM 208 C SER A 14 -13.146 7.272 -2.753 1.00 0.00 C ATOM 209 O SER A 14 -13.815 7.329 -3.763 1.00 0.00 O ATOM 210 CB SER A 14 -14.308 8.821 -1.170 1.00 0.00 C ATOM 211 OG SER A 14 -14.316 9.127 0.218 1.00 0.00 O ATOM 0 H SER A 14 -12.855 6.126 0.070 1.00 0.00 H new ATOM 0 HA SER A 14 -14.624 6.697 -1.295 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.676 9.528 -1.707 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.313 8.916 -1.581 1.00 0.00 H new ATOM 0 HG SER A 14 -13.493 9.605 0.452 1.00 0.00 H new ATOM 217 N ILE A 15 -11.854 7.092 -2.812 1.00 0.00 N ATOM 218 CA ILE A 15 -11.188 6.949 -4.135 1.00 0.00 C ATOM 219 C ILE A 15 -11.104 5.463 -4.474 1.00 0.00 C ATOM 220 O ILE A 15 -11.280 5.057 -5.609 1.00 0.00 O ATOM 221 CB ILE A 15 -9.783 7.552 -4.071 1.00 0.00 C ATOM 222 CG1 ILE A 15 -9.884 9.027 -3.678 1.00 0.00 C ATOM 223 CG2 ILE A 15 -9.118 7.438 -5.444 1.00 0.00 C ATOM 224 CD1 ILE A 15 -10.643 9.794 -4.761 1.00 0.00 C ATOM 0 H ILE A 15 -11.234 7.038 -2.004 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.757 7.473 -4.903 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.188 7.015 -3.332 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -10.397 9.125 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.887 9.449 -3.550 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.117 7.867 -5.400 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.051 6.388 -5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.712 7.977 -6.182 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.715 10.845 -4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -10.112 9.707 -5.709 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -11.645 9.378 -4.867 1.00 0.00 H new ATOM 236 N ARG A 16 -10.872 4.644 -3.486 1.00 0.00 N ATOM 237 CA ARG A 16 -10.817 3.183 -3.737 1.00 0.00 C ATOM 238 C ARG A 16 -12.216 2.756 -4.148 1.00 0.00 C ATOM 239 O ARG A 16 -12.407 1.875 -4.962 1.00 0.00 O ATOM 240 CB ARG A 16 -10.395 2.444 -2.463 1.00 0.00 C ATOM 241 CG ARG A 16 -11.359 2.781 -1.325 1.00 0.00 C ATOM 242 CD ARG A 16 -11.159 1.785 -0.179 1.00 0.00 C ATOM 243 NE ARG A 16 -12.308 1.876 0.766 1.00 0.00 N ATOM 244 CZ ARG A 16 -12.174 2.514 1.895 1.00 0.00 C ATOM 245 NH1 ARG A 16 -11.078 2.384 2.591 1.00 0.00 N ATOM 246 NH2 ARG A 16 -13.136 3.282 2.328 1.00 0.00 N ATOM 0 H ARG A 16 -10.719 4.926 -2.518 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.090 2.947 -4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.389 1.369 -2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.379 2.727 -2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.183 3.798 -0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.388 2.741 -1.681 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.078 0.772 -0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.227 1.999 0.344 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.199 1.439 0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.327 1.783 2.252 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.973 2.883 3.474 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.992 3.383 1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.032 3.781 3.211 1.00 0.00 H new ATOM 260 N TRP A 17 -13.198 3.418 -3.604 1.00 0.00 N ATOM 261 CA TRP A 17 -14.601 3.110 -3.967 1.00 0.00 C ATOM 262 C TRP A 17 -14.694 3.153 -5.491 1.00 0.00 C ATOM 263 O TRP A 17 -14.947 2.158 -6.140 1.00 0.00 O ATOM 264 CB TRP A 17 -15.517 4.165 -3.301 1.00 0.00 C ATOM 265 CG TRP A 17 -16.500 4.770 -4.269 1.00 0.00 C ATOM 266 CD1 TRP A 17 -16.370 5.985 -4.853 1.00 0.00 C ATOM 267 CD2 TRP A 17 -17.766 4.229 -4.744 1.00 0.00 C ATOM 268 NE1 TRP A 17 -17.466 6.216 -5.662 1.00 0.00 N ATOM 269 CE2 TRP A 17 -18.356 5.163 -5.628 1.00 0.00 C ATOM 270 CE3 TRP A 17 -18.448 3.027 -4.502 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -19.583 4.915 -6.243 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -19.685 2.772 -5.118 1.00 0.00 C ATOM 273 CH2 TRP A 17 -20.251 3.715 -5.987 1.00 0.00 C ATOM 0 H TRP A 17 -13.084 4.165 -2.918 1.00 0.00 H new ATOM 0 HA TRP A 17 -14.917 2.126 -3.621 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -16.061 3.701 -2.478 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -14.902 4.956 -2.871 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -15.543 6.664 -4.709 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -17.600 7.062 -6.216 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -18.019 2.292 -3.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -20.014 5.645 -6.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -20.202 1.845 -4.921 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -21.202 3.514 -6.458 1.00 0.00 H new ATOM 284 N VAL A 18 -14.515 4.311 -6.057 1.00 0.00 N ATOM 285 CA VAL A 18 -14.617 4.439 -7.534 1.00 0.00 C ATOM 286 C VAL A 18 -13.912 3.258 -8.215 1.00 0.00 C ATOM 287 O VAL A 18 -14.469 2.572 -9.054 1.00 0.00 O ATOM 288 CB VAL A 18 -13.920 5.736 -7.953 1.00 0.00 C ATOM 289 CG1 VAL A 18 -13.753 5.763 -9.474 1.00 0.00 C ATOM 290 CG2 VAL A 18 -14.768 6.934 -7.516 1.00 0.00 C ATOM 0 H VAL A 18 -14.302 5.176 -5.560 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.666 4.448 -7.829 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.940 5.788 -7.479 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -13.257 6.687 -9.769 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -13.151 4.911 -9.789 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -14.733 5.710 -9.949 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -14.273 7.858 -7.814 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.748 6.878 -7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.888 6.919 -6.433 1.00 0.00 H new ATOM 300 N LEU A 19 -12.672 3.035 -7.863 1.00 0.00 N ATOM 301 CA LEU A 19 -11.893 1.922 -8.480 1.00 0.00 C ATOM 302 C LEU A 19 -12.696 0.623 -8.435 1.00 0.00 C ATOM 303 O LEU A 19 -13.244 0.195 -9.430 1.00 0.00 O ATOM 304 CB LEU A 19 -10.582 1.735 -7.711 1.00 0.00 C ATOM 305 CG LEU A 19 -9.446 2.441 -8.451 1.00 0.00 C ATOM 306 CD1 LEU A 19 -9.102 1.657 -9.718 1.00 0.00 C ATOM 307 CD2 LEU A 19 -9.886 3.857 -8.833 1.00 0.00 C ATOM 0 H LEU A 19 -12.162 3.581 -7.169 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.682 2.171 -9.520 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.679 2.139 -6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.358 0.673 -7.608 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.570 2.495 -7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.292 2.159 -10.248 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.789 0.648 -9.448 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.979 1.604 -10.363 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -9.076 4.360 -9.361 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.762 3.804 -9.480 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.134 4.417 -7.931 1.00 0.00 H new ATOM 319 N GLU A 20 -12.733 -0.021 -7.299 1.00 0.00 N ATOM 320 CA GLU A 20 -13.471 -1.316 -7.178 1.00 0.00 C ATOM 321 C GLU A 20 -14.734 -1.297 -8.055 1.00 0.00 C ATOM 322 O GLU A 20 -15.174 -2.315 -8.553 1.00 0.00 O ATOM 323 CB GLU A 20 -13.869 -1.530 -5.714 1.00 0.00 C ATOM 324 CG GLU A 20 -12.856 -2.465 -5.047 1.00 0.00 C ATOM 325 CD GLU A 20 -13.553 -3.298 -3.968 1.00 0.00 C ATOM 326 OE1 GLU A 20 -14.608 -3.839 -4.253 1.00 0.00 O ATOM 327 OE2 GLU A 20 -13.016 -3.381 -2.875 1.00 0.00 O ATOM 0 H GLU A 20 -12.280 0.296 -6.442 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.825 -2.128 -7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.900 -0.575 -5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.870 -1.958 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.407 -3.121 -5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.047 -1.884 -4.605 1.00 0.00 H new ATOM 334 N ARG A 21 -15.320 -0.147 -8.255 1.00 0.00 N ATOM 335 CA ARG A 21 -16.540 -0.083 -9.109 1.00 0.00 C ATOM 336 C ARG A 21 -16.175 -0.527 -10.525 1.00 0.00 C ATOM 337 O ARG A 21 -16.747 -1.455 -11.060 1.00 0.00 O ATOM 338 CB ARG A 21 -17.078 1.349 -9.132 1.00 0.00 C ATOM 339 CG ARG A 21 -18.464 1.377 -8.486 1.00 0.00 C ATOM 340 CD ARG A 21 -18.381 0.776 -7.081 1.00 0.00 C ATOM 341 NE ARG A 21 -19.673 0.116 -6.746 1.00 0.00 N ATOM 342 CZ ARG A 21 -19.858 -1.142 -7.040 1.00 0.00 C ATOM 343 NH1 ARG A 21 -19.003 -2.042 -6.636 1.00 0.00 N ATOM 344 NH2 ARG A 21 -20.896 -1.499 -7.746 1.00 0.00 N ATOM 0 H ARG A 21 -15.010 0.744 -7.867 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.310 -0.741 -8.707 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.400 2.013 -8.596 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -17.135 1.712 -10.158 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.833 2.401 -8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -19.172 0.814 -9.094 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -17.567 0.053 -7.031 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.159 1.556 -6.353 1.00 0.00 H new ATOM 0 HE ARG A 21 -20.413 0.647 -6.287 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -18.188 -1.763 -6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -19.150 -3.025 -6.867 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -21.561 -0.795 -8.067 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -21.042 -2.482 -7.977 1.00 0.00 H new ATOM 358 N ALA A 22 -15.215 0.115 -11.131 1.00 0.00 N ATOM 359 CA ALA A 22 -14.802 -0.297 -12.503 1.00 0.00 C ATOM 360 C ALA A 22 -14.244 -1.723 -12.433 1.00 0.00 C ATOM 361 O ALA A 22 -14.182 -2.435 -13.416 1.00 0.00 O ATOM 362 CB ALA A 22 -13.716 0.653 -13.013 1.00 0.00 C ATOM 0 H ALA A 22 -14.700 0.903 -10.738 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.655 -0.261 -13.181 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.412 0.354 -14.016 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.106 1.670 -13.040 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.855 0.613 -12.346 1.00 0.00 H new ATOM 368 N LEU A 23 -13.839 -2.130 -11.262 1.00 0.00 N ATOM 369 CA LEU A 23 -13.274 -3.494 -11.061 1.00 0.00 C ATOM 370 C LEU A 23 -14.384 -4.546 -11.163 1.00 0.00 C ATOM 371 O LEU A 23 -14.132 -5.701 -11.469 1.00 0.00 O ATOM 372 CB LEU A 23 -12.666 -3.533 -9.664 1.00 0.00 C ATOM 373 CG LEU A 23 -12.435 -4.971 -9.247 1.00 0.00 C ATOM 374 CD1 LEU A 23 -11.354 -5.561 -10.150 1.00 0.00 C ATOM 375 CD2 LEU A 23 -12.004 -4.995 -7.779 1.00 0.00 C ATOM 0 H LEU A 23 -13.877 -1.561 -10.417 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.524 -3.711 -11.822 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.724 -2.985 -9.652 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -13.330 -3.041 -8.954 1.00 0.00 H new ATOM 0 HG LEU A 23 -13.343 -5.565 -9.348 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -11.170 -6.598 -9.868 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.685 -5.520 -11.188 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.434 -4.987 -10.040 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -11.834 -6.025 -7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.083 -4.424 -7.661 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -12.787 -4.553 -7.163 1.00 0.00 H new ATOM 387 N ALA A 24 -15.601 -4.162 -10.886 1.00 0.00 N ATOM 388 CA ALA A 24 -16.724 -5.136 -10.954 1.00 0.00 C ATOM 389 C ALA A 24 -16.948 -5.543 -12.410 1.00 0.00 C ATOM 390 O ALA A 24 -17.322 -6.661 -12.703 1.00 0.00 O ATOM 391 CB ALA A 24 -17.996 -4.492 -10.397 1.00 0.00 C ATOM 0 H ALA A 24 -15.865 -3.214 -10.615 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.481 -6.018 -10.362 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.818 -5.206 -10.447 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -17.832 -4.200 -9.360 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -18.246 -3.610 -10.987 1.00 0.00 H new ATOM 397 N GLY A 25 -16.711 -4.645 -13.329 1.00 0.00 N ATOM 398 CA GLY A 25 -16.899 -4.986 -14.768 1.00 0.00 C ATOM 399 C GLY A 25 -15.834 -6.003 -15.177 1.00 0.00 C ATOM 400 O GLY A 25 -16.091 -6.921 -15.930 1.00 0.00 O ATOM 0 H GLY A 25 -16.396 -3.692 -13.145 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.895 -5.397 -14.931 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.819 -4.089 -15.382 1.00 0.00 H new ATOM 404 N ALA A 26 -14.638 -5.847 -14.678 1.00 0.00 N ATOM 405 CA ALA A 26 -13.550 -6.801 -15.025 1.00 0.00 C ATOM 406 C ALA A 26 -13.620 -8.008 -14.087 1.00 0.00 C ATOM 407 O ALA A 26 -12.998 -9.025 -14.319 1.00 0.00 O ATOM 408 CB ALA A 26 -12.195 -6.110 -14.862 1.00 0.00 C ATOM 0 H ALA A 26 -14.368 -5.096 -14.042 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.668 -7.130 -16.057 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.398 -6.808 -15.116 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.145 -5.246 -15.524 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.075 -5.783 -13.829 1.00 0.00 H new ATOM 414 N GLY A 27 -14.375 -7.897 -13.029 1.00 0.00 N ATOM 415 CA GLY A 27 -14.493 -9.031 -12.072 1.00 0.00 C ATOM 416 C GLY A 27 -13.109 -9.408 -11.542 1.00 0.00 C ATOM 417 O GLY A 27 -12.610 -10.484 -11.802 1.00 0.00 O ATOM 0 H GLY A 27 -14.916 -7.067 -12.786 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.146 -8.754 -11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -14.950 -9.889 -12.565 1.00 0.00 H new ATOM 421 N LEU A 28 -12.481 -8.530 -10.806 1.00 0.00 N ATOM 422 CA LEU A 28 -11.121 -8.849 -10.263 1.00 0.00 C ATOM 423 C LEU A 28 -11.021 -8.416 -8.809 1.00 0.00 C ATOM 424 O LEU A 28 -11.961 -7.926 -8.219 1.00 0.00 O ATOM 425 CB LEU A 28 -10.061 -8.078 -11.044 1.00 0.00 C ATOM 426 CG LEU A 28 -9.045 -9.044 -11.639 1.00 0.00 C ATOM 427 CD1 LEU A 28 -9.467 -9.403 -13.063 1.00 0.00 C ATOM 428 CD2 LEU A 28 -7.673 -8.364 -11.661 1.00 0.00 C ATOM 0 H LEU A 28 -12.845 -7.610 -10.557 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.964 -9.924 -10.351 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.532 -7.499 -11.838 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.558 -7.368 -10.387 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.994 -9.953 -11.040 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.743 -10.095 -13.494 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.450 -9.873 -13.044 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.509 -8.498 -13.669 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.936 -9.046 -12.085 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.724 -7.461 -12.269 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.381 -8.101 -10.644 1.00 0.00 H new ATOM 440 N THR A 29 -9.868 -8.594 -8.242 1.00 0.00 N ATOM 441 CA THR A 29 -9.646 -8.194 -6.829 1.00 0.00 C ATOM 442 C THR A 29 -8.817 -6.913 -6.817 1.00 0.00 C ATOM 443 O THR A 29 -7.799 -6.809 -6.159 1.00 0.00 O ATOM 444 CB THR A 29 -8.892 -9.305 -6.103 1.00 0.00 C ATOM 445 OG1 THR A 29 -9.584 -10.533 -6.282 1.00 0.00 O ATOM 446 CG2 THR A 29 -8.806 -8.976 -4.610 1.00 0.00 C ATOM 0 H THR A 29 -9.057 -9.006 -8.703 1.00 0.00 H new ATOM 0 HA THR A 29 -10.599 -8.025 -6.327 1.00 0.00 H new ATOM 0 HB THR A 29 -7.884 -9.390 -6.510 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.103 -11.250 -5.819 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.267 -9.770 -4.093 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.278 -8.032 -4.475 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.811 -8.891 -4.198 1.00 0.00 H new ATOM 454 N CYS A 30 -9.250 -5.949 -7.565 1.00 0.00 N ATOM 455 CA CYS A 30 -8.522 -4.658 -7.651 1.00 0.00 C ATOM 456 C CYS A 30 -8.840 -3.810 -6.426 1.00 0.00 C ATOM 457 O CYS A 30 -9.738 -2.992 -6.442 1.00 0.00 O ATOM 458 CB CYS A 30 -8.974 -3.915 -8.907 1.00 0.00 C ATOM 459 SG CYS A 30 -7.860 -2.525 -9.222 1.00 0.00 S ATOM 0 H CYS A 30 -10.095 -6.000 -8.134 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.449 -4.845 -7.694 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.978 -4.592 -9.761 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.995 -3.555 -8.781 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.244 -1.895 -10.292 1.00 0.00 H new ATOM 465 N THR A 31 -8.107 -3.985 -5.367 1.00 0.00 N ATOM 466 CA THR A 31 -8.369 -3.174 -4.153 1.00 0.00 C ATOM 467 C THR A 31 -7.612 -1.853 -4.275 1.00 0.00 C ATOM 468 O THR A 31 -6.794 -1.672 -5.155 1.00 0.00 O ATOM 469 CB THR A 31 -7.889 -3.930 -2.911 1.00 0.00 C ATOM 470 OG1 THR A 31 -8.103 -5.323 -3.096 1.00 0.00 O ATOM 471 CG2 THR A 31 -8.665 -3.449 -1.684 1.00 0.00 C ATOM 0 H THR A 31 -7.340 -4.653 -5.290 1.00 0.00 H new ATOM 0 HA THR A 31 -9.438 -2.984 -4.058 1.00 0.00 H new ATOM 0 HB THR A 31 -6.826 -3.742 -2.759 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.795 -5.809 -2.303 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.321 -3.989 -0.802 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.498 -2.381 -1.544 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.729 -3.634 -1.831 1.00 0.00 H new ATOM 479 N THR A 32 -7.870 -0.932 -3.400 1.00 0.00 N ATOM 480 CA THR A 32 -7.162 0.373 -3.459 1.00 0.00 C ATOM 481 C THR A 32 -7.165 0.981 -2.058 1.00 0.00 C ATOM 482 O THR A 32 -8.123 0.848 -1.323 1.00 0.00 O ATOM 483 CB THR A 32 -7.880 1.313 -4.421 1.00 0.00 C ATOM 484 OG1 THR A 32 -9.279 1.078 -4.356 1.00 0.00 O ATOM 485 CG2 THR A 32 -7.387 1.066 -5.847 1.00 0.00 C ATOM 0 H THR A 32 -8.545 -1.025 -2.641 1.00 0.00 H new ATOM 0 HA THR A 32 -6.140 0.226 -3.810 1.00 0.00 H new ATOM 0 HB THR A 32 -7.670 2.345 -4.141 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.607 0.809 -5.239 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.902 1.739 -6.532 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.314 1.248 -5.898 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.593 0.034 -6.130 1.00 0.00 H new ATOM 493 N PHE A 33 -6.112 1.637 -1.671 1.00 0.00 N ATOM 494 CA PHE A 33 -6.086 2.230 -0.308 1.00 0.00 C ATOM 495 C PHE A 33 -5.946 3.750 -0.407 1.00 0.00 C ATOM 496 O PHE A 33 -6.099 4.324 -1.463 1.00 0.00 O ATOM 497 CB PHE A 33 -4.924 1.623 0.478 1.00 0.00 C ATOM 498 CG PHE A 33 -5.439 0.427 1.241 1.00 0.00 C ATOM 499 CD1 PHE A 33 -6.605 0.538 2.010 1.00 0.00 C ATOM 500 CD2 PHE A 33 -4.766 -0.798 1.166 1.00 0.00 C ATOM 501 CE1 PHE A 33 -7.096 -0.574 2.702 1.00 0.00 C ATOM 502 CE2 PHE A 33 -5.256 -1.910 1.861 1.00 0.00 C ATOM 503 CZ PHE A 33 -6.421 -1.799 2.628 1.00 0.00 C ATOM 0 H PHE A 33 -5.274 1.788 -2.233 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.017 2.009 0.214 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.123 1.325 -0.199 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.505 2.359 1.164 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.125 1.483 2.068 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.868 -0.885 0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.996 -0.488 3.293 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.735 -2.854 1.805 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.800 -2.658 3.163 1.00 0.00 H new ATOM 513 N GLU A 34 -5.685 4.413 0.684 1.00 0.00 N ATOM 514 CA GLU A 34 -5.569 5.897 0.629 1.00 0.00 C ATOM 515 C GLU A 34 -4.142 6.329 0.977 1.00 0.00 C ATOM 516 O GLU A 34 -3.822 7.501 0.965 1.00 0.00 O ATOM 517 CB GLU A 34 -6.544 6.517 1.632 1.00 0.00 C ATOM 518 CG GLU A 34 -6.170 6.075 3.048 1.00 0.00 C ATOM 519 CD GLU A 34 -7.382 6.230 3.969 1.00 0.00 C ATOM 520 OE1 GLU A 34 -8.257 7.012 3.637 1.00 0.00 O ATOM 521 OE2 GLU A 34 -7.414 5.565 4.991 1.00 0.00 O ATOM 0 H GLU A 34 -5.548 3.996 1.605 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.807 6.236 -0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.515 7.604 1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.564 6.210 1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.836 5.037 3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.339 6.674 3.420 1.00 0.00 H new ATOM 528 N ASN A 35 -3.281 5.400 1.291 1.00 0.00 N ATOM 529 CA ASN A 35 -1.883 5.779 1.641 1.00 0.00 C ATOM 530 C ASN A 35 -0.903 4.822 0.960 1.00 0.00 C ATOM 531 O ASN A 35 -1.006 3.617 1.086 1.00 0.00 O ATOM 532 CB ASN A 35 -1.695 5.699 3.158 1.00 0.00 C ATOM 533 CG ASN A 35 -1.856 7.093 3.769 1.00 0.00 C ATOM 534 OD1 ASN A 35 -2.310 8.008 3.111 1.00 0.00 O ATOM 535 ND2 ASN A 35 -1.500 7.293 5.009 1.00 0.00 N ATOM 0 H ASN A 35 -3.483 4.401 1.320 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.692 6.797 1.301 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.426 5.015 3.590 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.708 5.300 3.392 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.603 8.218 5.426 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.119 6.524 5.561 1.00 0.00 H new ATOM 542 N GLY A 36 0.055 5.349 0.246 1.00 0.00 N ATOM 543 CA GLY A 36 1.044 4.468 -0.434 1.00 0.00 C ATOM 544 C GLY A 36 1.575 3.445 0.565 1.00 0.00 C ATOM 545 O GLY A 36 1.584 2.258 0.307 1.00 0.00 O ATOM 0 H GLY A 36 0.194 6.350 0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.577 3.961 -1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.865 5.063 -0.834 1.00 0.00 H new ATOM 549 N ASN A 37 2.015 3.893 1.707 1.00 0.00 N ATOM 550 CA ASN A 37 2.537 2.939 2.718 1.00 0.00 C ATOM 551 C ASN A 37 1.435 1.941 3.074 1.00 0.00 C ATOM 552 O ASN A 37 1.573 0.768 2.846 1.00 0.00 O ATOM 553 CB ASN A 37 2.968 3.699 3.975 1.00 0.00 C ATOM 554 CG ASN A 37 3.236 2.702 5.106 1.00 0.00 C ATOM 555 OD1 ASN A 37 3.191 1.506 4.900 1.00 0.00 O ATOM 556 ND2 ASN A 37 3.517 3.148 6.301 1.00 0.00 N ATOM 0 H ASN A 37 2.035 4.875 1.982 1.00 0.00 H new ATOM 0 HA ASN A 37 3.399 2.409 2.312 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.865 4.283 3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.190 4.403 4.272 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.699 2.492 7.061 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.555 4.152 6.475 1.00 0.00 H new ATOM 563 N GLU A 38 0.354 2.404 3.647 1.00 0.00 N ATOM 564 CA GLU A 38 -0.761 1.483 4.036 1.00 0.00 C ATOM 565 C GLU A 38 -0.889 0.333 3.026 1.00 0.00 C ATOM 566 O GLU A 38 -1.274 -0.767 3.370 1.00 0.00 O ATOM 567 CB GLU A 38 -2.073 2.270 4.063 1.00 0.00 C ATOM 568 CG GLU A 38 -2.915 1.818 5.259 1.00 0.00 C ATOM 569 CD GLU A 38 -3.710 3.007 5.803 1.00 0.00 C ATOM 570 OE1 GLU A 38 -3.815 3.996 5.097 1.00 0.00 O ATOM 571 OE2 GLU A 38 -4.199 2.908 6.916 1.00 0.00 O ATOM 0 H GLU A 38 0.193 3.387 3.864 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.546 1.067 5.020 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.867 3.338 4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.624 2.111 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.594 1.020 4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.270 1.411 6.038 1.00 0.00 H new ATOM 578 N VAL A 39 -0.574 0.582 1.784 1.00 0.00 N ATOM 579 CA VAL A 39 -0.678 -0.487 0.749 1.00 0.00 C ATOM 580 C VAL A 39 0.480 -1.483 0.918 1.00 0.00 C ATOM 581 O VAL A 39 0.275 -2.643 1.221 1.00 0.00 O ATOM 582 CB VAL A 39 -0.641 0.174 -0.646 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.065 -0.718 -1.669 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.071 0.424 -1.125 1.00 0.00 C ATOM 0 H VAL A 39 -0.247 1.485 1.440 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.614 -1.035 0.859 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.091 1.111 -0.559 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.073 -0.222 -2.640 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.090 -0.901 -1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.464 -1.667 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.048 0.891 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.606 -0.524 -1.185 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.580 1.084 -0.422 1.00 0.00 H new ATOM 594 N LEU A 40 1.691 -1.042 0.713 1.00 0.00 N ATOM 595 CA LEU A 40 2.853 -1.967 0.846 1.00 0.00 C ATOM 596 C LEU A 40 2.897 -2.537 2.272 1.00 0.00 C ATOM 597 O LEU A 40 3.549 -3.527 2.539 1.00 0.00 O ATOM 598 CB LEU A 40 4.138 -1.196 0.455 1.00 0.00 C ATOM 599 CG LEU A 40 5.099 -0.955 1.631 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.380 -0.233 2.770 1.00 0.00 C ATOM 601 CD2 LEU A 40 5.674 -2.280 2.130 1.00 0.00 C ATOM 0 H LEU A 40 1.926 -0.082 0.459 1.00 0.00 H new ATOM 0 HA LEU A 40 2.763 -2.821 0.175 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.662 -1.752 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.857 -0.235 0.025 1.00 0.00 H new ATOM 0 HG LEU A 40 5.918 -0.327 1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.075 -0.071 3.594 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.008 0.728 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.544 -0.841 3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.352 -2.092 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.862 -2.927 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.219 -2.768 1.322 1.00 0.00 H new ATOM 613 N ALA A 41 2.166 -1.946 3.176 1.00 0.00 N ATOM 614 CA ALA A 41 2.131 -2.461 4.571 1.00 0.00 C ATOM 615 C ALA A 41 1.085 -3.570 4.651 1.00 0.00 C ATOM 616 O ALA A 41 1.284 -4.582 5.293 1.00 0.00 O ATOM 617 CB ALA A 41 1.756 -1.326 5.528 1.00 0.00 C ATOM 0 H ALA A 41 1.588 -1.123 3.006 1.00 0.00 H new ATOM 0 HA ALA A 41 3.109 -2.851 4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.731 -1.705 6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.496 -0.529 5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.774 -0.935 5.262 1.00 0.00 H new ATOM 623 N ALA A 42 -0.026 -3.396 3.985 1.00 0.00 N ATOM 624 CA ALA A 42 -1.073 -4.451 4.006 1.00 0.00 C ATOM 625 C ALA A 42 -0.449 -5.750 3.509 1.00 0.00 C ATOM 626 O ALA A 42 -0.713 -6.819 4.023 1.00 0.00 O ATOM 627 CB ALA A 42 -2.228 -4.050 3.085 1.00 0.00 C ATOM 0 H ALA A 42 -0.250 -2.570 3.430 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.459 -4.579 5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.994 -4.826 3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.657 -3.109 3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.857 -3.930 2.067 1.00 0.00 H new ATOM 633 N LEU A 43 0.389 -5.661 2.513 1.00 0.00 N ATOM 634 CA LEU A 43 1.048 -6.884 1.980 1.00 0.00 C ATOM 635 C LEU A 43 1.967 -7.470 3.058 1.00 0.00 C ATOM 636 O LEU A 43 1.535 -8.232 3.901 1.00 0.00 O ATOM 637 CB LEU A 43 1.877 -6.521 0.742 1.00 0.00 C ATOM 638 CG LEU A 43 1.091 -6.865 -0.519 1.00 0.00 C ATOM 639 CD1 LEU A 43 0.462 -5.599 -1.095 1.00 0.00 C ATOM 640 CD2 LEU A 43 2.036 -7.477 -1.554 1.00 0.00 C ATOM 0 H LEU A 43 0.646 -4.792 2.045 1.00 0.00 H new ATOM 0 HA LEU A 43 0.291 -7.618 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.119 -5.458 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.822 -7.064 0.753 1.00 0.00 H new ATOM 0 HG LEU A 43 0.305 -7.578 -0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.099 -5.849 -1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.211 -5.160 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.246 -4.883 -1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.477 -7.724 -2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.821 -6.761 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.485 -8.383 -1.146 1.00 0.00 H new ATOM 652 N ALA A 44 3.226 -7.115 3.029 1.00 0.00 N ATOM 653 CA ALA A 44 4.194 -7.633 4.034 1.00 0.00 C ATOM 654 C ALA A 44 4.708 -8.998 3.589 1.00 0.00 C ATOM 655 O ALA A 44 5.881 -9.180 3.332 1.00 0.00 O ATOM 656 CB ALA A 44 3.522 -7.754 5.404 1.00 0.00 C ATOM 0 H ALA A 44 3.627 -6.479 2.340 1.00 0.00 H new ATOM 0 HA ALA A 44 5.030 -6.938 4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.241 -8.134 6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.168 -6.774 5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.678 -8.440 5.336 1.00 0.00 H new ATOM 662 N SER A 45 3.839 -9.955 3.501 1.00 0.00 N ATOM 663 CA SER A 45 4.271 -11.316 3.081 1.00 0.00 C ATOM 664 C SER A 45 3.895 -11.550 1.617 1.00 0.00 C ATOM 665 O SER A 45 4.633 -12.166 0.874 1.00 0.00 O ATOM 666 CB SER A 45 3.574 -12.359 3.955 1.00 0.00 C ATOM 667 OG SER A 45 2.165 -12.183 3.864 1.00 0.00 O ATOM 0 H SER A 45 2.844 -9.858 3.701 1.00 0.00 H new ATOM 0 HA SER A 45 5.352 -11.402 3.194 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.848 -13.363 3.632 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.899 -12.258 4.991 1.00 0.00 H new ATOM 0 HG SER A 45 1.715 -12.851 4.422 1.00 0.00 H new ATOM 673 N LYS A 46 2.748 -11.060 1.212 1.00 0.00 N ATOM 674 CA LYS A 46 2.279 -11.239 -0.204 1.00 0.00 C ATOM 675 C LYS A 46 0.749 -11.283 -0.221 1.00 0.00 C ATOM 676 O LYS A 46 0.156 -12.318 0.005 1.00 0.00 O ATOM 677 CB LYS A 46 2.799 -12.562 -0.778 1.00 0.00 C ATOM 678 CG LYS A 46 4.047 -12.305 -1.623 1.00 0.00 C ATOM 679 CD LYS A 46 3.875 -12.939 -3.005 1.00 0.00 C ATOM 680 CE LYS A 46 4.998 -13.952 -3.245 1.00 0.00 C ATOM 681 NZ LYS A 46 4.507 -15.322 -2.922 1.00 0.00 N ATOM 0 H LYS A 46 2.107 -10.537 1.808 1.00 0.00 H new ATOM 0 HA LYS A 46 2.653 -10.409 -0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.033 -13.253 0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.027 -13.033 -1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.216 -11.233 -1.723 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.925 -12.721 -1.128 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.905 -13.432 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.895 -12.168 -3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.327 -13.907 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.861 -13.708 -2.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.269 -16.011 -3.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.213 -15.359 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.696 -15.553 -3.531 1.00 0.00 H new ATOM 695 N THR A 47 0.098 -10.180 -0.475 1.00 0.00 N ATOM 696 CA THR A 47 -1.392 -10.207 -0.486 1.00 0.00 C ATOM 697 C THR A 47 -1.918 -10.274 -1.929 1.00 0.00 C ATOM 698 O THR A 47 -2.364 -11.319 -2.360 1.00 0.00 O ATOM 699 CB THR A 47 -1.950 -8.989 0.261 1.00 0.00 C ATOM 700 OG1 THR A 47 -1.838 -9.218 1.659 1.00 0.00 O ATOM 701 CG2 THR A 47 -3.426 -8.788 -0.101 1.00 0.00 C ATOM 0 H THR A 47 0.525 -9.275 -0.672 1.00 0.00 H new ATOM 0 HA THR A 47 -1.735 -11.103 0.032 1.00 0.00 H new ATOM 0 HB THR A 47 -1.388 -8.099 -0.021 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.190 -8.444 2.146 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.817 -7.922 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.518 -8.625 -1.175 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.994 -9.674 0.181 1.00 0.00 H new ATOM 709 N PRO A 48 -1.851 -9.178 -2.643 1.00 0.00 N ATOM 710 CA PRO A 48 -2.352 -9.253 -4.036 1.00 0.00 C ATOM 711 C PRO A 48 -1.277 -9.862 -4.935 1.00 0.00 C ATOM 712 O PRO A 48 -0.332 -10.468 -4.469 1.00 0.00 O ATOM 713 CB PRO A 48 -2.588 -7.801 -4.445 1.00 0.00 C ATOM 714 CG PRO A 48 -1.678 -6.960 -3.548 1.00 0.00 C ATOM 715 CD PRO A 48 -1.384 -7.810 -2.306 1.00 0.00 C ATOM 0 HA PRO A 48 -3.251 -9.864 -4.121 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.349 -7.648 -5.497 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.633 -7.523 -4.312 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.756 -6.699 -4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -2.164 -6.024 -3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.320 -7.805 -2.070 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.906 -7.421 -1.432 1.00 0.00 H new ATOM 723 N ASP A 49 -1.398 -9.676 -6.218 1.00 0.00 N ATOM 724 CA ASP A 49 -0.369 -10.210 -7.148 1.00 0.00 C ATOM 725 C ASP A 49 0.353 -9.025 -7.796 1.00 0.00 C ATOM 726 O ASP A 49 1.384 -9.176 -8.420 1.00 0.00 O ATOM 727 CB ASP A 49 -1.033 -11.075 -8.224 1.00 0.00 C ATOM 728 CG ASP A 49 -2.066 -10.253 -8.995 1.00 0.00 C ATOM 729 OD1 ASP A 49 -2.179 -9.071 -8.722 1.00 0.00 O ATOM 730 OD2 ASP A 49 -2.730 -10.820 -9.847 1.00 0.00 O ATOM 0 H ASP A 49 -2.167 -9.176 -6.663 1.00 0.00 H new ATOM 0 HA ASP A 49 0.344 -10.829 -6.604 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.278 -11.460 -8.909 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.514 -11.938 -7.763 1.00 0.00 H new ATOM 735 N VAL A 50 -0.185 -7.841 -7.637 1.00 0.00 N ATOM 736 CA VAL A 50 0.455 -6.632 -8.225 1.00 0.00 C ATOM 737 C VAL A 50 0.024 -5.395 -7.425 1.00 0.00 C ATOM 738 O VAL A 50 -1.151 -5.092 -7.312 1.00 0.00 O ATOM 739 CB VAL A 50 0.021 -6.491 -9.695 1.00 0.00 C ATOM 740 CG1 VAL A 50 0.055 -5.022 -10.129 1.00 0.00 C ATOM 741 CG2 VAL A 50 0.980 -7.282 -10.580 1.00 0.00 C ATOM 0 H VAL A 50 -1.046 -7.663 -7.121 1.00 0.00 H new ATOM 0 HA VAL A 50 1.540 -6.726 -8.182 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.996 -6.871 -9.795 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.255 -4.943 -11.171 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.624 -4.442 -9.504 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.068 -4.634 -10.022 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.677 -7.185 -11.622 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.991 -6.894 -10.459 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.958 -8.333 -10.292 1.00 0.00 H new ATOM 751 N LEU A 51 0.961 -4.672 -6.876 1.00 0.00 N ATOM 752 CA LEU A 51 0.585 -3.452 -6.101 1.00 0.00 C ATOM 753 C LEU A 51 0.785 -2.228 -6.991 1.00 0.00 C ATOM 754 O LEU A 51 1.767 -2.120 -7.698 1.00 0.00 O ATOM 755 CB LEU A 51 1.447 -3.333 -4.839 1.00 0.00 C ATOM 756 CG LEU A 51 0.538 -3.101 -3.624 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.553 -4.172 -3.589 1.00 0.00 C ATOM 758 CD2 LEU A 51 1.363 -3.197 -2.341 1.00 0.00 C ATOM 0 H LEU A 51 1.961 -4.868 -6.928 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.458 -3.521 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.035 -4.240 -4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.152 -2.508 -4.943 1.00 0.00 H new ATOM 0 HG LEU A 51 0.085 -2.112 -3.701 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.198 -4.006 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.147 -4.117 -4.501 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.093 -5.157 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.716 -3.032 -1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.814 -4.187 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.148 -2.441 -2.356 1.00 0.00 H new ATOM 770 N LEU A 52 -0.148 -1.315 -6.988 1.00 0.00 N ATOM 771 CA LEU A 52 -0.009 -0.119 -7.865 1.00 0.00 C ATOM 772 C LEU A 52 0.077 1.161 -7.033 1.00 0.00 C ATOM 773 O LEU A 52 -0.084 1.151 -5.829 1.00 0.00 O ATOM 774 CB LEU A 52 -1.222 -0.034 -8.790 1.00 0.00 C ATOM 775 CG LEU A 52 -0.766 -0.226 -10.234 1.00 0.00 C ATOM 776 CD1 LEU A 52 -1.564 -1.360 -10.878 1.00 0.00 C ATOM 777 CD2 LEU A 52 -0.993 1.068 -11.018 1.00 0.00 C ATOM 0 H LEU A 52 -0.995 -1.345 -6.420 1.00 0.00 H new ATOM 0 HA LEU A 52 0.907 -0.218 -8.447 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.953 -0.797 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.714 0.932 -8.677 1.00 0.00 H new ATOM 0 HG LEU A 52 0.294 -0.478 -10.248 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.237 -1.495 -11.909 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.400 -2.282 -10.321 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.625 -1.112 -10.864 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.667 0.931 -12.049 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.053 1.321 -11.003 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.421 1.875 -10.561 1.00 0.00 H new ATOM 789 N SER A 53 0.319 2.268 -7.684 1.00 0.00 N ATOM 790 CA SER A 53 0.410 3.568 -6.964 1.00 0.00 C ATOM 791 C SER A 53 -0.070 4.683 -7.896 1.00 0.00 C ATOM 792 O SER A 53 0.303 4.738 -9.051 1.00 0.00 O ATOM 793 CB SER A 53 1.860 3.831 -6.560 1.00 0.00 C ATOM 794 OG SER A 53 2.662 3.940 -7.730 1.00 0.00 O ATOM 0 H SER A 53 0.458 2.326 -8.693 1.00 0.00 H new ATOM 0 HA SER A 53 -0.211 3.538 -6.069 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.926 4.747 -5.974 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.226 3.022 -5.928 1.00 0.00 H new ATOM 0 HG SER A 53 3.553 4.266 -7.486 1.00 0.00 H new ATOM 800 N ASP A 54 -0.900 5.569 -7.415 1.00 0.00 N ATOM 801 CA ASP A 54 -1.402 6.666 -8.291 1.00 0.00 C ATOM 802 C ASP A 54 -0.555 7.926 -8.092 1.00 0.00 C ATOM 803 O ASP A 54 -0.842 8.958 -8.665 1.00 0.00 O ATOM 804 CB ASP A 54 -2.860 6.970 -7.945 1.00 0.00 C ATOM 805 CG ASP A 54 -3.781 6.161 -8.862 1.00 0.00 C ATOM 806 OD1 ASP A 54 -3.957 6.565 -9.999 1.00 0.00 O ATOM 807 OD2 ASP A 54 -4.294 5.150 -8.410 1.00 0.00 O ATOM 0 H ASP A 54 -1.251 5.581 -6.457 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.332 6.351 -9.332 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.057 6.721 -6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.058 8.036 -8.061 1.00 0.00 H new ATOM 812 N ILE A 55 0.481 7.840 -7.289 1.00 0.00 N ATOM 813 CA ILE A 55 1.371 9.020 -7.034 1.00 0.00 C ATOM 814 C ILE A 55 0.590 10.329 -7.177 1.00 0.00 C ATOM 815 O ILE A 55 0.624 10.975 -8.205 1.00 0.00 O ATOM 816 CB ILE A 55 2.543 9.011 -8.023 1.00 0.00 C ATOM 817 CG1 ILE A 55 3.398 10.261 -7.802 1.00 0.00 C ATOM 818 CG2 ILE A 55 2.019 9.001 -9.463 1.00 0.00 C ATOM 819 CD1 ILE A 55 4.879 9.882 -7.850 1.00 0.00 C ATOM 0 H ILE A 55 0.751 6.991 -6.793 1.00 0.00 H new ATOM 0 HA ILE A 55 1.752 8.950 -6.015 1.00 0.00 H new ATOM 0 HB ILE A 55 3.143 8.116 -7.858 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.177 11.005 -8.567 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.158 10.713 -6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.860 8.995 -10.156 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.411 8.111 -9.623 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.413 9.890 -9.636 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.488 10.772 -7.693 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.094 9.153 -7.069 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.113 9.450 -8.823 1.00 0.00 H new ATOM 831 N ARG A 56 -0.117 10.728 -6.156 1.00 0.00 N ATOM 832 CA ARG A 56 -0.899 11.993 -6.246 1.00 0.00 C ATOM 833 C ARG A 56 -1.276 12.466 -4.843 1.00 0.00 C ATOM 834 O ARG A 56 -2.414 12.368 -4.429 1.00 0.00 O ATOM 835 CB ARG A 56 -2.168 11.750 -7.064 1.00 0.00 C ATOM 836 CG ARG A 56 -2.931 13.065 -7.233 1.00 0.00 C ATOM 837 CD ARG A 56 -4.286 12.785 -7.885 1.00 0.00 C ATOM 838 NE ARG A 56 -4.094 12.541 -9.344 1.00 0.00 N ATOM 839 CZ ARG A 56 -4.004 13.548 -10.169 1.00 0.00 C ATOM 840 NH1 ARG A 56 -5.086 14.086 -10.661 1.00 0.00 N ATOM 841 NH2 ARG A 56 -2.833 14.020 -10.500 1.00 0.00 N ATOM 0 H ARG A 56 -0.187 10.235 -5.266 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.294 12.758 -6.732 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.910 11.340 -8.040 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.798 11.014 -6.565 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.073 13.543 -6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.355 13.756 -7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.754 11.918 -7.419 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.957 13.630 -7.732 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.033 11.586 -9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.002 13.719 -10.401 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.016 14.873 -11.306 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.987 13.602 -10.114 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.764 14.807 -11.145 1.00 0.00 H new ATOM 855 N MET A 57 -0.330 12.979 -4.104 1.00 0.00 N ATOM 856 CA MET A 57 -0.636 13.459 -2.728 1.00 0.00 C ATOM 857 C MET A 57 -0.123 14.891 -2.562 1.00 0.00 C ATOM 858 O MET A 57 0.972 15.210 -2.978 1.00 0.00 O ATOM 859 CB MET A 57 0.045 12.548 -1.706 1.00 0.00 C ATOM 860 CG MET A 57 -1.019 11.835 -0.870 1.00 0.00 C ATOM 861 SD MET A 57 -0.325 10.313 -0.178 1.00 0.00 S ATOM 862 CE MET A 57 -1.392 9.153 -1.067 1.00 0.00 C ATOM 0 H MET A 57 0.642 13.086 -4.395 1.00 0.00 H new ATOM 0 HA MET A 57 -1.714 13.440 -2.567 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.672 11.817 -2.216 1.00 0.00 H new ATOM 0 HB3 MET A 57 0.699 13.134 -1.060 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.364 12.487 -0.068 1.00 0.00 H new ATOM 0 HG3 MET A 57 -1.887 11.603 -1.488 1.00 0.00 H new ATOM 0 HE1 MET A 57 -1.133 8.132 -0.786 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.434 9.347 -0.811 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.253 9.280 -2.141 1.00 0.00 H new ATOM 872 N PRO A 58 -0.940 15.707 -1.953 1.00 0.00 N ATOM 873 CA PRO A 58 -0.531 17.115 -1.748 1.00 0.00 C ATOM 874 C PRO A 58 0.659 17.190 -0.790 1.00 0.00 C ATOM 875 O PRO A 58 0.547 16.885 0.382 1.00 0.00 O ATOM 876 CB PRO A 58 -1.760 17.785 -1.132 1.00 0.00 C ATOM 877 CG PRO A 58 -2.589 16.658 -0.490 1.00 0.00 C ATOM 878 CD PRO A 58 -2.144 15.349 -1.165 1.00 0.00 C ATOM 0 HA PRO A 58 -0.217 17.597 -2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.467 18.525 -0.387 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.339 18.309 -1.892 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -2.420 16.617 0.586 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.655 16.828 -0.639 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.916 14.582 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.930 14.950 -1.806 1.00 0.00 H new ATOM 886 N GLY A 59 1.798 17.597 -1.276 1.00 0.00 N ATOM 887 CA GLY A 59 2.993 17.695 -0.393 1.00 0.00 C ATOM 888 C GLY A 59 4.159 18.296 -1.178 1.00 0.00 C ATOM 889 O GLY A 59 3.974 18.920 -2.204 1.00 0.00 O ATOM 0 H GLY A 59 1.953 17.866 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.767 18.315 0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.263 16.708 -0.018 1.00 0.00 H new ATOM 893 N MET A 60 5.360 18.111 -0.706 1.00 0.00 N ATOM 894 CA MET A 60 6.538 18.669 -1.427 1.00 0.00 C ATOM 895 C MET A 60 6.842 17.796 -2.645 1.00 0.00 C ATOM 896 O MET A 60 7.004 18.282 -3.747 1.00 0.00 O ATOM 897 CB MET A 60 7.748 18.684 -0.492 1.00 0.00 C ATOM 898 CG MET A 60 7.363 19.361 0.824 1.00 0.00 C ATOM 899 SD MET A 60 8.802 20.221 1.507 1.00 0.00 S ATOM 900 CE MET A 60 7.891 21.424 2.506 1.00 0.00 C ATOM 0 H MET A 60 5.577 17.597 0.148 1.00 0.00 H new ATOM 0 HA MET A 60 6.321 19.687 -1.752 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.089 17.666 -0.304 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.576 19.217 -0.959 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.550 20.067 0.657 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.999 18.618 1.534 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.596 22.072 3.027 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.254 22.026 1.859 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.274 20.899 3.235 1.00 0.00 H new ATOM 910 N ASP A 61 6.919 16.509 -2.454 1.00 0.00 N ATOM 911 CA ASP A 61 7.210 15.599 -3.597 1.00 0.00 C ATOM 912 C ASP A 61 6.053 14.612 -3.762 1.00 0.00 C ATOM 913 O ASP A 61 5.116 14.607 -2.989 1.00 0.00 O ATOM 914 CB ASP A 61 8.502 14.829 -3.316 1.00 0.00 C ATOM 915 CG ASP A 61 9.706 15.700 -3.678 1.00 0.00 C ATOM 916 OD1 ASP A 61 9.551 16.910 -3.696 1.00 0.00 O ATOM 917 OD2 ASP A 61 10.760 15.142 -3.931 1.00 0.00 O ATOM 0 H ASP A 61 6.793 16.047 -1.554 1.00 0.00 H new ATOM 0 HA ASP A 61 7.326 16.182 -4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.548 14.546 -2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.521 13.906 -3.895 1.00 0.00 H new ATOM 922 N GLY A 62 6.109 13.771 -4.758 1.00 0.00 N ATOM 923 CA GLY A 62 5.009 12.787 -4.957 1.00 0.00 C ATOM 924 C GLY A 62 4.796 12.015 -3.656 1.00 0.00 C ATOM 925 O GLY A 62 4.069 12.440 -2.781 1.00 0.00 O ATOM 0 H GLY A 62 6.866 13.723 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.092 13.300 -5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.259 12.101 -5.766 1.00 0.00 H new ATOM 929 N LEU A 63 5.431 10.886 -3.519 1.00 0.00 N ATOM 930 CA LEU A 63 5.272 10.092 -2.268 1.00 0.00 C ATOM 931 C LEU A 63 6.091 8.802 -2.359 1.00 0.00 C ATOM 932 O LEU A 63 5.748 7.801 -1.767 1.00 0.00 O ATOM 933 CB LEU A 63 3.795 9.744 -2.065 1.00 0.00 C ATOM 934 CG LEU A 63 3.139 9.467 -3.420 1.00 0.00 C ATOM 935 CD1 LEU A 63 3.858 8.308 -4.114 1.00 0.00 C ATOM 936 CD2 LEU A 63 1.669 9.095 -3.203 1.00 0.00 C ATOM 0 H LEU A 63 6.053 10.478 -4.217 1.00 0.00 H new ATOM 0 HA LEU A 63 5.628 10.683 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.703 8.870 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.283 10.566 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 63 3.206 10.358 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.388 8.114 -5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.905 8.569 -4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.793 7.415 -3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.198 8.897 -4.166 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.608 8.204 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.154 9.919 -2.710 1.00 0.00 H new ATOM 948 N ALA A 64 7.176 8.818 -3.090 1.00 0.00 N ATOM 949 CA ALA A 64 8.019 7.594 -3.213 1.00 0.00 C ATOM 950 C ALA A 64 7.128 6.365 -3.413 1.00 0.00 C ATOM 951 O ALA A 64 6.774 6.019 -4.523 1.00 0.00 O ATOM 952 CB ALA A 64 8.851 7.423 -1.941 1.00 0.00 C ATOM 0 H ALA A 64 7.514 9.629 -3.608 1.00 0.00 H new ATOM 0 HA ALA A 64 8.681 7.697 -4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.469 6.529 -2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.491 8.295 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.187 7.323 -1.082 1.00 0.00 H new ATOM 958 N LEU A 65 6.762 5.704 -2.346 1.00 0.00 N ATOM 959 CA LEU A 65 5.892 4.499 -2.465 1.00 0.00 C ATOM 960 C LEU A 65 6.690 3.339 -3.064 1.00 0.00 C ATOM 961 O LEU A 65 7.177 2.485 -2.354 1.00 0.00 O ATOM 962 CB LEU A 65 4.692 4.814 -3.362 1.00 0.00 C ATOM 963 CG LEU A 65 3.421 4.840 -2.513 1.00 0.00 C ATOM 964 CD1 LEU A 65 2.365 5.699 -3.209 1.00 0.00 C ATOM 965 CD2 LEU A 65 2.889 3.415 -2.344 1.00 0.00 C ATOM 0 H LEU A 65 7.030 5.949 -1.393 1.00 0.00 H new ATOM 0 HA LEU A 65 5.537 4.217 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.834 5.776 -3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.603 4.064 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 65 3.646 5.261 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.457 5.719 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.743 6.714 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.140 5.277 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.983 3.434 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.662 2.993 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.642 2.802 -1.850 1.00 0.00 H new ATOM 977 N LEU A 66 6.818 3.300 -4.365 1.00 0.00 N ATOM 978 CA LEU A 66 7.577 2.193 -5.022 1.00 0.00 C ATOM 979 C LEU A 66 8.791 1.810 -4.172 1.00 0.00 C ATOM 980 O LEU A 66 9.229 0.675 -4.175 1.00 0.00 O ATOM 981 CB LEU A 66 8.054 2.652 -6.404 1.00 0.00 C ATOM 982 CG LEU A 66 7.193 2.011 -7.494 1.00 0.00 C ATOM 983 CD1 LEU A 66 7.150 0.496 -7.294 1.00 0.00 C ATOM 984 CD2 LEU A 66 5.773 2.576 -7.421 1.00 0.00 C ATOM 0 H LEU A 66 6.427 3.992 -5.005 1.00 0.00 H new ATOM 0 HA LEU A 66 6.923 1.327 -5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.997 3.738 -6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.099 2.378 -6.547 1.00 0.00 H new ATOM 0 HG LEU A 66 7.624 2.233 -8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.536 0.044 -8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.161 0.093 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.722 0.270 -6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.159 2.119 -8.198 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.344 2.356 -6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.803 3.655 -7.570 1.00 0.00 H new ATOM 996 N LYS A 67 9.341 2.743 -3.445 1.00 0.00 N ATOM 997 CA LYS A 67 10.523 2.424 -2.599 1.00 0.00 C ATOM 998 C LYS A 67 10.125 1.409 -1.524 1.00 0.00 C ATOM 999 O LYS A 67 10.725 0.357 -1.400 1.00 0.00 O ATOM 1000 CB LYS A 67 11.038 3.705 -1.935 1.00 0.00 C ATOM 1001 CG LYS A 67 12.295 4.193 -2.659 1.00 0.00 C ATOM 1002 CD LYS A 67 13.417 3.165 -2.492 1.00 0.00 C ATOM 1003 CE LYS A 67 13.864 2.668 -3.868 1.00 0.00 C ATOM 1004 NZ LYS A 67 15.253 3.138 -4.144 1.00 0.00 N ATOM 0 H LYS A 67 9.023 3.711 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 67 11.311 1.999 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.268 4.476 -1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.262 3.517 -0.885 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.082 4.344 -3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.608 5.156 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.259 3.613 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.070 2.328 -1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.824 1.579 -3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.185 3.037 -4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.555 2.799 -5.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.277 4.178 -4.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.896 2.765 -3.417 1.00 0.00 H new ATOM 1018 N GLN A 68 9.118 1.704 -0.741 1.00 0.00 N ATOM 1019 CA GLN A 68 8.710 0.736 0.314 1.00 0.00 C ATOM 1020 C GLN A 68 8.168 -0.536 -0.351 1.00 0.00 C ATOM 1021 O GLN A 68 8.447 -1.637 0.085 1.00 0.00 O ATOM 1022 CB GLN A 68 7.655 1.362 1.250 1.00 0.00 C ATOM 1023 CG GLN A 68 6.436 1.873 0.464 1.00 0.00 C ATOM 1024 CD GLN A 68 6.346 3.394 0.603 1.00 0.00 C ATOM 1025 OE1 GLN A 68 5.266 3.948 0.657 1.00 0.00 O ATOM 1026 NE2 GLN A 68 7.443 4.098 0.666 1.00 0.00 N ATOM 0 H GLN A 68 8.569 2.562 -0.787 1.00 0.00 H new ATOM 0 HA GLN A 68 9.577 0.478 0.922 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.333 0.622 1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.103 2.186 1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.525 1.597 -0.587 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.525 1.407 0.840 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.350 3.634 0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.393 5.112 0.761 1.00 0.00 H new ATOM 1035 N ILE A 69 7.388 -0.390 -1.392 1.00 0.00 N ATOM 1036 CA ILE A 69 6.812 -1.574 -2.089 1.00 0.00 C ATOM 1037 C ILE A 69 7.834 -2.718 -2.122 1.00 0.00 C ATOM 1038 O ILE A 69 7.592 -3.796 -1.620 1.00 0.00 O ATOM 1039 CB ILE A 69 6.417 -1.133 -3.515 1.00 0.00 C ATOM 1040 CG1 ILE A 69 4.892 -1.141 -3.625 1.00 0.00 C ATOM 1041 CG2 ILE A 69 7.008 -2.061 -4.589 1.00 0.00 C ATOM 1042 CD1 ILE A 69 4.418 0.175 -4.243 1.00 0.00 C ATOM 0 H ILE A 69 7.124 0.511 -1.791 1.00 0.00 H new ATOM 0 HA ILE A 69 5.932 -1.944 -1.562 1.00 0.00 H new ATOM 0 HB ILE A 69 6.816 -0.133 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.565 -1.981 -4.238 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.446 -1.273 -2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.705 -1.714 -5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.096 -2.052 -4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.643 -3.076 -4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.331 0.169 -4.321 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.732 1.007 -3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.853 0.288 -5.236 1.00 0.00 H new ATOM 1054 N LYS A 70 8.967 -2.486 -2.722 1.00 0.00 N ATOM 1055 CA LYS A 70 10.005 -3.552 -2.805 1.00 0.00 C ATOM 1056 C LYS A 70 10.539 -3.870 -1.405 1.00 0.00 C ATOM 1057 O LYS A 70 10.599 -5.015 -1.005 1.00 0.00 O ATOM 1058 CB LYS A 70 11.154 -3.069 -3.692 1.00 0.00 C ATOM 1059 CG LYS A 70 11.465 -4.131 -4.749 1.00 0.00 C ATOM 1060 CD LYS A 70 12.823 -4.768 -4.451 1.00 0.00 C ATOM 1061 CE LYS A 70 13.908 -4.043 -5.244 1.00 0.00 C ATOM 1062 NZ LYS A 70 15.152 -4.864 -5.252 1.00 0.00 N ATOM 0 H LYS A 70 9.221 -1.601 -3.161 1.00 0.00 H new ATOM 0 HA LYS A 70 9.564 -4.453 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.885 -2.129 -4.174 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.039 -2.874 -3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.687 -4.894 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.473 -3.680 -5.741 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.038 -4.711 -3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.808 -5.825 -4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.570 -3.866 -6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.107 -3.067 -4.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.891 -4.370 -5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.477 -5.011 -4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.957 -5.785 -5.694 1.00 0.00 H new ATOM 1076 N GLN A 71 10.948 -2.864 -0.675 1.00 0.00 N ATOM 1077 CA GLN A 71 11.507 -3.087 0.695 1.00 0.00 C ATOM 1078 C GLN A 71 10.806 -4.259 1.394 1.00 0.00 C ATOM 1079 O GLN A 71 11.418 -5.005 2.132 1.00 0.00 O ATOM 1080 CB GLN A 71 11.309 -1.819 1.527 1.00 0.00 C ATOM 1081 CG GLN A 71 12.557 -1.572 2.376 1.00 0.00 C ATOM 1082 CD GLN A 71 12.466 -0.193 3.032 1.00 0.00 C ATOM 1083 OE1 GLN A 71 11.392 0.259 3.375 1.00 0.00 O ATOM 1084 NE2 GLN A 71 13.556 0.498 3.223 1.00 0.00 N ATOM 0 H GLN A 71 10.919 -1.888 -0.971 1.00 0.00 H new ATOM 0 HA GLN A 71 12.567 -3.323 0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.125 -0.966 0.873 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.434 -1.924 2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.648 -2.344 3.140 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.450 -1.632 1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 71 14.458 0.118 2.935 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.506 1.418 3.660 1.00 0.00 H new ATOM 1093 N ARG A 72 9.526 -4.422 1.183 1.00 0.00 N ATOM 1094 CA ARG A 72 8.804 -5.542 1.857 1.00 0.00 C ATOM 1095 C ARG A 72 8.419 -6.616 0.837 1.00 0.00 C ATOM 1096 O ARG A 72 8.805 -7.761 0.960 1.00 0.00 O ATOM 1097 CB ARG A 72 7.536 -5.001 2.526 1.00 0.00 C ATOM 1098 CG ARG A 72 7.362 -5.660 3.897 1.00 0.00 C ATOM 1099 CD ARG A 72 8.364 -5.062 4.886 1.00 0.00 C ATOM 1100 NE ARG A 72 7.631 -4.483 6.047 1.00 0.00 N ATOM 1101 CZ ARG A 72 8.159 -3.507 6.735 1.00 0.00 C ATOM 1102 NH1 ARG A 72 8.788 -2.543 6.119 1.00 0.00 N ATOM 1103 NH2 ARG A 72 8.064 -3.496 8.037 1.00 0.00 N ATOM 0 H ARG A 72 8.953 -3.833 0.578 1.00 0.00 H new ATOM 0 HA ARG A 72 9.460 -5.984 2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.604 -3.919 2.637 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.667 -5.204 1.900 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.345 -5.508 4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.514 -6.736 3.816 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.058 -5.831 5.227 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.958 -4.291 4.396 1.00 0.00 H new ATOM 0 HE ARG A 72 6.715 -4.850 6.305 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.866 -2.553 5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.201 -1.780 6.655 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.576 -4.251 8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.477 -2.732 8.572 1.00 0.00 H new ATOM 1117 N HIS A 73 7.651 -6.259 -0.159 1.00 0.00 N ATOM 1118 CA HIS A 73 7.227 -7.261 -1.183 1.00 0.00 C ATOM 1119 C HIS A 73 8.387 -8.199 -1.510 1.00 0.00 C ATOM 1120 O HIS A 73 9.532 -7.793 -1.526 1.00 0.00 O ATOM 1121 CB HIS A 73 6.804 -6.543 -2.463 1.00 0.00 C ATOM 1122 CG HIS A 73 5.602 -5.692 -2.189 1.00 0.00 C ATOM 1123 ND1 HIS A 73 5.259 -4.628 -3.003 1.00 0.00 N ATOM 1124 CD2 HIS A 73 4.659 -5.722 -1.193 1.00 0.00 C ATOM 1125 CE1 HIS A 73 4.157 -4.062 -2.488 1.00 0.00 C ATOM 1126 NE2 HIS A 73 3.748 -4.689 -1.382 1.00 0.00 N ATOM 0 H HIS A 73 7.298 -5.314 -0.308 1.00 0.00 H new ATOM 0 HA HIS A 73 6.391 -7.835 -0.783 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.622 -5.925 -2.833 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.577 -7.271 -3.242 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.629 -6.439 -0.386 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.661 -3.203 -2.916 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.941 -4.460 -0.801 1.00 0.00 H new ATOM 1134 N PRO A 74 8.044 -9.428 -1.772 1.00 0.00 N ATOM 1135 CA PRO A 74 9.096 -10.404 -2.113 1.00 0.00 C ATOM 1136 C PRO A 74 9.379 -10.360 -3.618 1.00 0.00 C ATOM 1137 O PRO A 74 9.454 -11.377 -4.278 1.00 0.00 O ATOM 1138 CB PRO A 74 8.518 -11.756 -1.702 1.00 0.00 C ATOM 1139 CG PRO A 74 6.989 -11.580 -1.674 1.00 0.00 C ATOM 1140 CD PRO A 74 6.724 -10.069 -1.560 1.00 0.00 C ATOM 0 HA PRO A 74 10.042 -10.201 -1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.807 -12.534 -2.409 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.893 -12.058 -0.724 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.535 -11.986 -2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.553 -12.115 -0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.001 -9.738 -2.306 1.00 0.00 H new ATOM 0 HD3 PRO A 74 6.314 -9.813 -0.583 1.00 0.00 H new ATOM 1148 N MET A 75 9.540 -9.182 -4.156 1.00 0.00 N ATOM 1149 CA MET A 75 9.826 -9.050 -5.614 1.00 0.00 C ATOM 1150 C MET A 75 8.571 -9.369 -6.431 1.00 0.00 C ATOM 1151 O MET A 75 8.590 -10.218 -7.300 1.00 0.00 O ATOM 1152 CB MET A 75 10.945 -10.017 -6.007 1.00 0.00 C ATOM 1153 CG MET A 75 12.089 -9.913 -4.997 1.00 0.00 C ATOM 1154 SD MET A 75 13.279 -11.244 -5.295 1.00 0.00 S ATOM 1155 CE MET A 75 14.674 -10.198 -5.779 1.00 0.00 C ATOM 0 H MET A 75 9.486 -8.300 -3.646 1.00 0.00 H new ATOM 0 HA MET A 75 10.135 -8.025 -5.820 1.00 0.00 H new ATOM 0 HB2 MET A 75 10.564 -11.038 -6.037 1.00 0.00 H new ATOM 0 HB3 MET A 75 11.307 -9.783 -7.008 1.00 0.00 H new ATOM 0 HG2 MET A 75 12.581 -8.944 -5.087 1.00 0.00 H new ATOM 0 HG3 MET A 75 11.699 -9.980 -3.981 1.00 0.00 H new ATOM 0 HE1 MET A 75 15.535 -10.825 -6.012 1.00 0.00 H new ATOM 0 HE2 MET A 75 14.402 -9.613 -6.658 1.00 0.00 H new ATOM 0 HE3 MET A 75 14.926 -9.525 -4.959 1.00 0.00 H new ATOM 1165 N LEU A 76 7.485 -8.688 -6.179 1.00 0.00 N ATOM 1166 CA LEU A 76 6.251 -8.959 -6.968 1.00 0.00 C ATOM 1167 C LEU A 76 5.900 -7.717 -7.801 1.00 0.00 C ATOM 1168 O LEU A 76 5.991 -6.601 -7.330 1.00 0.00 O ATOM 1169 CB LEU A 76 5.094 -9.343 -6.035 1.00 0.00 C ATOM 1170 CG LEU A 76 4.415 -8.096 -5.465 1.00 0.00 C ATOM 1171 CD1 LEU A 76 3.372 -7.576 -6.457 1.00 0.00 C ATOM 1172 CD2 LEU A 76 3.717 -8.467 -4.157 1.00 0.00 C ATOM 0 H LEU A 76 7.400 -7.962 -5.467 1.00 0.00 H new ATOM 0 HA LEU A 76 6.425 -9.798 -7.642 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.365 -9.942 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.469 -9.962 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 76 5.163 -7.323 -5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.891 -6.688 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.860 -7.323 -7.398 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.621 -8.347 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.229 -7.585 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.971 -9.238 -4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.453 -8.843 -3.446 1.00 0.00 H new ATOM 1184 N PRO A 77 5.542 -7.969 -9.032 1.00 0.00 N ATOM 1185 CA PRO A 77 5.211 -6.861 -9.963 1.00 0.00 C ATOM 1186 C PRO A 77 4.398 -5.740 -9.297 1.00 0.00 C ATOM 1187 O PRO A 77 3.517 -5.965 -8.483 1.00 0.00 O ATOM 1188 CB PRO A 77 4.394 -7.526 -11.070 1.00 0.00 C ATOM 1189 CG PRO A 77 3.818 -8.816 -10.465 1.00 0.00 C ATOM 1190 CD PRO A 77 4.718 -9.179 -9.276 1.00 0.00 C ATOM 0 HA PRO A 77 6.117 -6.374 -10.325 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.596 -6.868 -11.413 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.019 -7.748 -11.935 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.788 -8.666 -10.141 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.806 -9.619 -11.202 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.126 -9.437 -8.398 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.343 -10.042 -9.504 1.00 0.00 H new ATOM 1198 N VAL A 78 4.697 -4.525 -9.669 1.00 0.00 N ATOM 1199 CA VAL A 78 3.981 -3.349 -9.124 1.00 0.00 C ATOM 1200 C VAL A 78 3.931 -2.287 -10.227 1.00 0.00 C ATOM 1201 O VAL A 78 4.862 -2.141 -10.991 1.00 0.00 O ATOM 1202 CB VAL A 78 4.745 -2.806 -7.922 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.224 -3.467 -6.647 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.238 -3.102 -8.080 1.00 0.00 C ATOM 0 H VAL A 78 5.427 -4.299 -10.345 1.00 0.00 H new ATOM 0 HA VAL A 78 2.974 -3.619 -8.807 1.00 0.00 H new ATOM 0 HB VAL A 78 4.599 -1.728 -7.859 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.770 -3.079 -5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.162 -3.249 -6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.368 -4.546 -6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.779 -2.712 -7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.390 -4.179 -8.147 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.609 -2.626 -8.988 1.00 0.00 H new ATOM 1214 N ILE A 79 2.855 -1.558 -10.339 1.00 0.00 N ATOM 1215 CA ILE A 79 2.777 -0.535 -11.422 1.00 0.00 C ATOM 1216 C ILE A 79 2.435 0.839 -10.839 1.00 0.00 C ATOM 1217 O ILE A 79 2.054 0.964 -9.694 1.00 0.00 O ATOM 1218 CB ILE A 79 1.699 -0.950 -12.422 1.00 0.00 C ATOM 1219 CG1 ILE A 79 2.041 -2.326 -12.995 1.00 0.00 C ATOM 1220 CG2 ILE A 79 1.636 0.069 -13.558 1.00 0.00 C ATOM 1221 CD1 ILE A 79 0.754 -3.125 -13.204 1.00 0.00 C ATOM 0 H ILE A 79 2.035 -1.624 -9.736 1.00 0.00 H new ATOM 0 HA ILE A 79 3.744 -0.469 -11.921 1.00 0.00 H new ATOM 0 HB ILE A 79 0.734 -0.992 -11.918 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.571 -2.216 -13.941 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.707 -2.859 -12.316 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.867 -0.228 -14.271 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.395 1.052 -13.152 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.601 0.112 -14.063 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.997 -4.106 -13.612 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.242 -3.246 -12.249 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.104 -2.593 -13.899 1.00 0.00 H new ATOM 1233 N ILE A 80 2.570 1.873 -11.627 1.00 0.00 N ATOM 1234 CA ILE A 80 2.255 3.242 -11.127 1.00 0.00 C ATOM 1235 C ILE A 80 1.748 4.105 -12.285 1.00 0.00 C ATOM 1236 O ILE A 80 2.202 3.987 -13.406 1.00 0.00 O ATOM 1237 CB ILE A 80 3.520 3.873 -10.542 1.00 0.00 C ATOM 1238 CG1 ILE A 80 3.247 5.343 -10.214 1.00 0.00 C ATOM 1239 CG2 ILE A 80 4.656 3.780 -11.562 1.00 0.00 C ATOM 1240 CD1 ILE A 80 4.525 5.996 -9.680 1.00 0.00 C ATOM 0 H ILE A 80 2.885 1.828 -12.596 1.00 0.00 H new ATOM 0 HA ILE A 80 1.487 3.179 -10.356 1.00 0.00 H new ATOM 0 HB ILE A 80 3.806 3.343 -9.633 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.904 5.867 -11.106 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.451 5.419 -9.473 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.557 4.230 -11.145 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.848 2.733 -11.798 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.373 4.311 -12.471 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.329 7.043 -9.447 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.849 5.478 -8.777 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.309 5.933 -10.435 1.00 0.00 H new ATOM 1252 N MET A 81 0.811 4.976 -12.020 1.00 0.00 N ATOM 1253 CA MET A 81 0.278 5.852 -13.103 1.00 0.00 C ATOM 1254 C MET A 81 1.135 7.116 -13.192 1.00 0.00 C ATOM 1255 O MET A 81 0.676 8.208 -12.923 1.00 0.00 O ATOM 1256 CB MET A 81 -1.170 6.237 -12.788 1.00 0.00 C ATOM 1257 CG MET A 81 -2.077 5.020 -12.987 1.00 0.00 C ATOM 1258 SD MET A 81 -2.484 4.304 -11.375 1.00 0.00 S ATOM 1259 CE MET A 81 -3.476 2.918 -11.984 1.00 0.00 C ATOM 0 H MET A 81 0.392 5.118 -11.101 1.00 0.00 H new ATOM 0 HA MET A 81 0.309 5.319 -14.053 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.247 6.597 -11.762 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.490 7.052 -13.437 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.989 5.313 -13.508 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.578 4.279 -13.611 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.807 2.310 -11.142 1.00 0.00 H new ATOM 0 HE2 MET A 81 -4.345 3.300 -12.519 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.874 2.308 -12.658 1.00 0.00 H new ATOM 1269 N THR A 82 2.377 6.962 -13.565 1.00 0.00 N ATOM 1270 CA THR A 82 3.303 8.131 -13.679 1.00 0.00 C ATOM 1271 C THR A 82 4.743 7.614 -13.586 1.00 0.00 C ATOM 1272 O THR A 82 5.079 6.848 -12.704 1.00 0.00 O ATOM 1273 CB THR A 82 3.025 9.139 -12.545 1.00 0.00 C ATOM 1274 OG1 THR A 82 2.036 10.065 -12.975 1.00 0.00 O ATOM 1275 CG2 THR A 82 4.301 9.908 -12.175 1.00 0.00 C ATOM 0 H THR A 82 2.797 6.063 -13.800 1.00 0.00 H new ATOM 0 HA THR A 82 3.150 8.639 -14.631 1.00 0.00 H new ATOM 0 HB THR A 82 2.678 8.591 -11.669 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.150 9.653 -12.905 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.081 10.613 -11.373 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.065 9.206 -11.841 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.664 10.452 -13.047 1.00 0.00 H new ATOM 1283 N ALA A 83 5.594 8.023 -14.484 1.00 0.00 N ATOM 1284 CA ALA A 83 7.004 7.547 -14.435 1.00 0.00 C ATOM 1285 C ALA A 83 7.891 8.639 -13.838 1.00 0.00 C ATOM 1286 O ALA A 83 8.951 8.940 -14.352 1.00 0.00 O ATOM 1287 CB ALA A 83 7.480 7.218 -15.851 1.00 0.00 C ATOM 0 H ALA A 83 5.376 8.664 -15.247 1.00 0.00 H new ATOM 0 HA ALA A 83 7.064 6.653 -13.815 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.512 6.869 -15.816 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.848 6.438 -16.275 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.420 8.112 -16.472 1.00 0.00 H new ATOM 1293 N HIS A 84 7.473 9.238 -12.756 1.00 0.00 N ATOM 1294 CA HIS A 84 8.304 10.307 -12.139 1.00 0.00 C ATOM 1295 C HIS A 84 8.614 9.957 -10.683 1.00 0.00 C ATOM 1296 O HIS A 84 9.549 9.226 -10.418 1.00 0.00 O ATOM 1297 CB HIS A 84 7.572 11.651 -12.215 1.00 0.00 C ATOM 1298 CG HIS A 84 8.201 12.507 -13.280 1.00 0.00 C ATOM 1299 ND1 HIS A 84 8.248 12.120 -14.610 1.00 0.00 N ATOM 1300 CD2 HIS A 84 8.815 13.734 -13.225 1.00 0.00 C ATOM 1301 CE1 HIS A 84 8.869 13.098 -15.295 1.00 0.00 C ATOM 1302 NE2 HIS A 84 9.237 14.105 -14.498 1.00 0.00 N ATOM 0 H HIS A 84 6.597 9.034 -12.276 1.00 0.00 H new ATOM 0 HA HIS A 84 9.242 10.386 -12.688 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.517 11.490 -12.439 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.620 12.158 -11.251 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.950 14.322 -12.329 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.048 13.072 -16.360 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.723 14.961 -14.765 1.00 0.00 H new ATOM 1310 N SER A 85 7.875 10.484 -9.722 1.00 0.00 N ATOM 1311 CA SER A 85 8.213 10.175 -8.297 1.00 0.00 C ATOM 1312 C SER A 85 9.706 10.335 -8.160 1.00 0.00 C ATOM 1313 O SER A 85 10.347 9.693 -7.354 1.00 0.00 O ATOM 1314 CB SER A 85 7.806 8.737 -7.963 1.00 0.00 C ATOM 1315 OG SER A 85 7.091 8.184 -9.059 1.00 0.00 O ATOM 0 H SER A 85 7.073 11.099 -9.863 1.00 0.00 H new ATOM 0 HA SER A 85 7.684 10.840 -7.614 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.691 8.137 -7.751 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.188 8.721 -7.066 1.00 0.00 H new ATOM 0 HG SER A 85 6.831 7.263 -8.849 1.00 0.00 H new ATOM 1321 N ASP A 86 10.264 11.179 -8.986 1.00 0.00 N ATOM 1322 CA ASP A 86 11.719 11.367 -8.967 1.00 0.00 C ATOM 1323 C ASP A 86 12.334 10.019 -9.308 1.00 0.00 C ATOM 1324 O ASP A 86 12.036 9.017 -8.673 1.00 0.00 O ATOM 1325 CB ASP A 86 12.167 11.814 -7.574 1.00 0.00 C ATOM 1326 CG ASP A 86 12.308 13.337 -7.550 1.00 0.00 C ATOM 1327 OD1 ASP A 86 13.365 13.819 -7.923 1.00 0.00 O ATOM 1328 OD2 ASP A 86 11.357 13.994 -7.158 1.00 0.00 O ATOM 0 H ASP A 86 9.761 11.743 -9.671 1.00 0.00 H new ATOM 0 HA ASP A 86 12.030 12.131 -9.679 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.442 11.493 -6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 86 13.117 11.346 -7.318 1.00 0.00 H new ATOM 1333 N LEU A 87 13.148 9.949 -10.332 1.00 0.00 N ATOM 1334 CA LEU A 87 13.742 8.632 -10.704 1.00 0.00 C ATOM 1335 C LEU A 87 14.099 7.883 -9.412 1.00 0.00 C ATOM 1336 O LEU A 87 14.115 6.686 -9.354 1.00 0.00 O ATOM 1337 CB LEU A 87 14.986 8.861 -11.560 1.00 0.00 C ATOM 1338 CG LEU A 87 15.450 7.532 -12.176 1.00 0.00 C ATOM 1339 CD1 LEU A 87 14.246 6.745 -12.707 1.00 0.00 C ATOM 1340 CD2 LEU A 87 16.405 7.816 -13.337 1.00 0.00 C ATOM 0 H LEU A 87 13.423 10.737 -10.919 1.00 0.00 H new ATOM 0 HA LEU A 87 13.034 8.038 -11.282 1.00 0.00 H new ATOM 0 HB2 LEU A 87 14.768 9.581 -12.349 1.00 0.00 H new ATOM 0 HB3 LEU A 87 15.783 9.288 -10.951 1.00 0.00 H new ATOM 0 HG LEU A 87 15.955 6.946 -11.408 1.00 0.00 H new ATOM 0 HD11 LEU A 87 14.588 5.805 -13.141 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.557 6.537 -11.888 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.735 7.332 -13.470 1.00 0.00 H new ATOM 0 HD21 LEU A 87 16.735 6.874 -13.775 1.00 0.00 H new ATOM 0 HD22 LEU A 87 15.891 8.408 -14.094 1.00 0.00 H new ATOM 0 HD23 LEU A 87 17.270 8.368 -12.970 1.00 0.00 H new ATOM 1352 N ASP A 88 14.336 8.610 -8.358 1.00 0.00 N ATOM 1353 CA ASP A 88 14.624 7.987 -7.043 1.00 0.00 C ATOM 1354 C ASP A 88 13.775 6.726 -6.857 1.00 0.00 C ATOM 1355 O ASP A 88 14.254 5.615 -6.963 1.00 0.00 O ATOM 1356 CB ASP A 88 14.229 8.997 -5.959 1.00 0.00 C ATOM 1357 CG ASP A 88 15.437 9.308 -5.074 1.00 0.00 C ATOM 1358 OD1 ASP A 88 16.521 8.850 -5.399 1.00 0.00 O ATOM 1359 OD2 ASP A 88 15.259 9.999 -4.085 1.00 0.00 O ATOM 0 H ASP A 88 14.342 9.630 -8.355 1.00 0.00 H new ATOM 0 HA ASP A 88 15.679 7.719 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 88 13.859 9.913 -6.420 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.417 8.595 -5.353 1.00 0.00 H new ATOM 1364 N ALA A 89 12.512 6.899 -6.567 1.00 0.00 N ATOM 1365 CA ALA A 89 11.622 5.724 -6.356 1.00 0.00 C ATOM 1366 C ALA A 89 11.414 4.978 -7.674 1.00 0.00 C ATOM 1367 O ALA A 89 11.293 3.770 -7.696 1.00 0.00 O ATOM 1368 CB ALA A 89 10.268 6.201 -5.825 1.00 0.00 C ATOM 0 H ALA A 89 12.059 7.807 -6.467 1.00 0.00 H new ATOM 0 HA ALA A 89 12.086 5.051 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 89 9.615 5.342 -5.670 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.412 6.723 -4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.812 6.878 -6.547 1.00 0.00 H new ATOM 1374 N ALA A 90 11.364 5.678 -8.777 1.00 0.00 N ATOM 1375 CA ALA A 90 11.156 4.969 -10.077 1.00 0.00 C ATOM 1376 C ALA A 90 12.256 3.916 -10.264 1.00 0.00 C ATOM 1377 O ALA A 90 11.990 2.735 -10.352 1.00 0.00 O ATOM 1378 CB ALA A 90 11.212 5.979 -11.223 1.00 0.00 C ATOM 0 H ALA A 90 11.456 6.692 -8.837 1.00 0.00 H new ATOM 0 HA ALA A 90 10.182 4.480 -10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 90 11.060 5.463 -12.171 1.00 0.00 H new ATOM 0 HB2 ALA A 90 10.430 6.726 -11.088 1.00 0.00 H new ATOM 0 HB3 ALA A 90 12.185 6.469 -11.229 1.00 0.00 H new ATOM 1384 N VAL A 91 13.481 4.361 -10.333 1.00 0.00 N ATOM 1385 CA VAL A 91 14.658 3.459 -10.518 1.00 0.00 C ATOM 1386 C VAL A 91 14.374 2.056 -9.956 1.00 0.00 C ATOM 1387 O VAL A 91 14.769 1.065 -10.537 1.00 0.00 O ATOM 1388 CB VAL A 91 15.880 4.107 -9.817 1.00 0.00 C ATOM 1389 CG1 VAL A 91 16.410 3.227 -8.674 1.00 0.00 C ATOM 1390 CG2 VAL A 91 16.994 4.311 -10.845 1.00 0.00 C ATOM 0 H VAL A 91 13.724 5.349 -10.266 1.00 0.00 H new ATOM 0 HA VAL A 91 14.866 3.336 -11.581 1.00 0.00 H new ATOM 0 HB VAL A 91 15.563 5.060 -9.394 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.266 3.714 -8.207 1.00 0.00 H new ATOM 0 HG12 VAL A 91 15.625 3.083 -7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.716 2.259 -9.072 1.00 0.00 H new ATOM 0 HG21 VAL A 91 17.857 4.766 -10.360 1.00 0.00 H new ATOM 0 HG22 VAL A 91 17.281 3.348 -11.267 1.00 0.00 H new ATOM 0 HG23 VAL A 91 16.639 4.964 -11.642 1.00 0.00 H new ATOM 1400 N SER A 92 13.701 1.968 -8.834 1.00 0.00 N ATOM 1401 CA SER A 92 13.399 0.628 -8.242 1.00 0.00 C ATOM 1402 C SER A 92 13.068 -0.363 -9.359 1.00 0.00 C ATOM 1403 O SER A 92 13.734 -1.365 -9.530 1.00 0.00 O ATOM 1404 CB SER A 92 12.200 0.748 -7.301 1.00 0.00 C ATOM 1405 OG SER A 92 12.555 0.239 -6.021 1.00 0.00 O ATOM 0 H SER A 92 13.349 2.765 -8.304 1.00 0.00 H new ATOM 0 HA SER A 92 14.267 0.273 -7.687 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.891 1.790 -7.218 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.351 0.195 -7.703 1.00 0.00 H new ATOM 0 HG SER A 92 11.789 0.316 -5.414 1.00 0.00 H new ATOM 1411 N ALA A 93 12.054 -0.085 -10.130 1.00 0.00 N ATOM 1412 CA ALA A 93 11.690 -1.002 -11.244 1.00 0.00 C ATOM 1413 C ALA A 93 12.962 -1.432 -11.978 1.00 0.00 C ATOM 1414 O ALA A 93 13.371 -2.574 -11.917 1.00 0.00 O ATOM 1415 CB ALA A 93 10.766 -0.271 -12.218 1.00 0.00 C ATOM 0 H ALA A 93 11.461 0.740 -10.036 1.00 0.00 H new ATOM 0 HA ALA A 93 11.181 -1.880 -10.847 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.497 -0.940 -13.036 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.863 0.045 -11.695 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.278 0.604 -12.618 1.00 0.00 H new ATOM 1421 N TYR A 94 13.587 -0.523 -12.675 1.00 0.00 N ATOM 1422 CA TYR A 94 14.832 -0.872 -13.416 1.00 0.00 C ATOM 1423 C TYR A 94 15.821 -1.555 -12.470 1.00 0.00 C ATOM 1424 O TYR A 94 16.615 -0.911 -11.813 1.00 0.00 O ATOM 1425 CB TYR A 94 15.461 0.403 -13.982 1.00 0.00 C ATOM 1426 CG TYR A 94 14.492 1.055 -14.939 1.00 0.00 C ATOM 1427 CD1 TYR A 94 14.031 0.350 -16.058 1.00 0.00 C ATOM 1428 CD2 TYR A 94 14.052 2.363 -14.706 1.00 0.00 C ATOM 1429 CE1 TYR A 94 13.131 0.953 -16.943 1.00 0.00 C ATOM 1430 CE2 TYR A 94 13.150 2.966 -15.591 1.00 0.00 C ATOM 1431 CZ TYR A 94 12.690 2.260 -16.709 1.00 0.00 C ATOM 1432 OH TYR A 94 11.801 2.855 -17.582 1.00 0.00 O ATOM 0 H TYR A 94 13.288 0.448 -12.763 1.00 0.00 H new ATOM 0 HA TYR A 94 14.589 -1.552 -14.233 1.00 0.00 H new ATOM 0 HB2 TYR A 94 15.709 1.090 -13.173 1.00 0.00 H new ATOM 0 HB3 TYR A 94 16.393 0.166 -14.495 1.00 0.00 H new ATOM 0 HD1 TYR A 94 14.370 -0.659 -16.238 1.00 0.00 H new ATOM 0 HD2 TYR A 94 14.408 2.907 -13.844 1.00 0.00 H new ATOM 0 HE1 TYR A 94 12.777 0.410 -17.807 1.00 0.00 H new ATOM 0 HE2 TYR A 94 12.809 3.975 -15.411 1.00 0.00 H new ATOM 0 HH TYR A 94 10.940 2.987 -17.133 1.00 0.00 H new ATOM 1442 N GLN A 95 15.779 -2.857 -12.399 1.00 0.00 N ATOM 1443 CA GLN A 95 16.714 -3.590 -11.500 1.00 0.00 C ATOM 1444 C GLN A 95 16.512 -5.096 -11.678 1.00 0.00 C ATOM 1445 O GLN A 95 17.456 -5.858 -11.730 1.00 0.00 O ATOM 1446 CB GLN A 95 16.439 -3.203 -10.046 1.00 0.00 C ATOM 1447 CG GLN A 95 17.638 -2.434 -9.489 1.00 0.00 C ATOM 1448 CD GLN A 95 18.887 -3.316 -9.557 1.00 0.00 C ATOM 1449 OE1 GLN A 95 18.850 -4.472 -9.186 1.00 0.00 O ATOM 1450 NE2 GLN A 95 20.000 -2.815 -10.020 1.00 0.00 N ATOM 0 H GLN A 95 15.135 -3.446 -12.927 1.00 0.00 H new ATOM 0 HA GLN A 95 17.742 -3.328 -11.753 1.00 0.00 H new ATOM 0 HB2 GLN A 95 15.540 -2.590 -9.985 1.00 0.00 H new ATOM 0 HB3 GLN A 95 16.257 -4.096 -9.449 1.00 0.00 H new ATOM 0 HG2 GLN A 95 17.794 -1.519 -10.061 1.00 0.00 H new ATOM 0 HG3 GLN A 95 17.446 -2.137 -8.458 1.00 0.00 H new ATOM 0 HE21 GLN A 95 20.032 -1.844 -10.332 1.00 0.00 H new ATOM 0 HE22 GLN A 95 20.838 -3.394 -10.070 1.00 0.00 H new ATOM 1459 N GLN A 96 15.285 -5.531 -11.771 1.00 0.00 N ATOM 1460 CA GLN A 96 15.023 -6.987 -11.946 1.00 0.00 C ATOM 1461 C GLN A 96 13.934 -7.183 -13.002 1.00 0.00 C ATOM 1462 O GLN A 96 14.183 -7.698 -14.075 1.00 0.00 O ATOM 1463 CB GLN A 96 14.558 -7.585 -10.617 1.00 0.00 C ATOM 1464 CG GLN A 96 14.262 -9.074 -10.804 1.00 0.00 C ATOM 1465 CD GLN A 96 12.849 -9.379 -10.308 1.00 0.00 C ATOM 1466 OE1 GLN A 96 11.882 -8.866 -10.837 1.00 0.00 O ATOM 1467 NE2 GLN A 96 12.685 -10.199 -9.306 1.00 0.00 N ATOM 0 H GLN A 96 14.454 -4.941 -11.733 1.00 0.00 H new ATOM 0 HA GLN A 96 15.937 -7.486 -12.268 1.00 0.00 H new ATOM 0 HB2 GLN A 96 15.326 -7.449 -9.856 1.00 0.00 H new ATOM 0 HB3 GLN A 96 13.666 -7.067 -10.265 1.00 0.00 H new ATOM 0 HG2 GLN A 96 14.356 -9.345 -11.856 1.00 0.00 H new ATOM 0 HG3 GLN A 96 14.989 -9.672 -10.254 1.00 0.00 H new ATOM 0 HE21 GLN A 96 13.496 -10.630 -8.862 1.00 0.00 H new ATOM 0 HE22 GLN A 96 11.746 -10.409 -8.967 1.00 0.00 H new ATOM 1476 N GLY A 97 12.727 -6.777 -12.712 1.00 0.00 N ATOM 1477 CA GLY A 97 11.629 -6.941 -13.704 1.00 0.00 C ATOM 1478 C GLY A 97 10.280 -6.953 -12.982 1.00 0.00 C ATOM 1479 O GLY A 97 10.220 -6.953 -11.769 1.00 0.00 O ATOM 0 H GLY A 97 12.455 -6.339 -11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.657 -6.128 -14.430 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.763 -7.869 -14.260 1.00 0.00 H new ATOM 1483 N ALA A 98 9.201 -6.967 -13.723 1.00 0.00 N ATOM 1484 CA ALA A 98 7.846 -6.981 -13.095 1.00 0.00 C ATOM 1485 C ALA A 98 7.443 -5.560 -12.694 1.00 0.00 C ATOM 1486 O ALA A 98 6.371 -5.334 -12.171 1.00 0.00 O ATOM 1487 CB ALA A 98 7.858 -7.880 -11.855 1.00 0.00 C ATOM 0 H ALA A 98 9.201 -6.969 -14.743 1.00 0.00 H new ATOM 0 HA ALA A 98 7.125 -7.369 -13.815 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.867 -7.887 -11.401 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.131 -8.895 -12.144 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.584 -7.499 -11.137 1.00 0.00 H new ATOM 1493 N PHE A 99 8.290 -4.597 -12.940 1.00 0.00 N ATOM 1494 CA PHE A 99 7.946 -3.192 -12.579 1.00 0.00 C ATOM 1495 C PHE A 99 7.777 -2.373 -13.861 1.00 0.00 C ATOM 1496 O PHE A 99 8.690 -2.252 -14.653 1.00 0.00 O ATOM 1497 CB PHE A 99 9.070 -2.581 -11.735 1.00 0.00 C ATOM 1498 CG PHE A 99 9.093 -3.212 -10.361 1.00 0.00 C ATOM 1499 CD1 PHE A 99 9.199 -4.601 -10.226 1.00 0.00 C ATOM 1500 CD2 PHE A 99 9.017 -2.403 -9.220 1.00 0.00 C ATOM 1501 CE1 PHE A 99 9.226 -5.182 -8.952 1.00 0.00 C ATOM 1502 CE2 PHE A 99 9.044 -2.984 -7.945 1.00 0.00 C ATOM 1503 CZ PHE A 99 9.149 -4.373 -7.812 1.00 0.00 C ATOM 0 H PHE A 99 9.204 -4.722 -13.375 1.00 0.00 H new ATOM 0 HA PHE A 99 7.020 -3.183 -12.005 1.00 0.00 H new ATOM 0 HB2 PHE A 99 10.030 -2.733 -12.229 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.924 -1.504 -11.646 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.260 -5.225 -11.105 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.938 -1.331 -9.323 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.306 -6.254 -8.849 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.984 -2.360 -7.066 1.00 0.00 H new ATOM 0 HZ PHE A 99 9.171 -4.821 -6.830 1.00 0.00 H new ATOM 1513 N ASP A 100 6.618 -1.816 -14.079 1.00 0.00 N ATOM 1514 CA ASP A 100 6.404 -1.013 -15.317 1.00 0.00 C ATOM 1515 C ASP A 100 5.881 0.376 -14.950 1.00 0.00 C ATOM 1516 O ASP A 100 5.426 0.610 -13.849 1.00 0.00 O ATOM 1517 CB ASP A 100 5.383 -1.719 -16.213 1.00 0.00 C ATOM 1518 CG ASP A 100 6.104 -2.378 -17.390 1.00 0.00 C ATOM 1519 OD1 ASP A 100 7.014 -1.762 -17.922 1.00 0.00 O ATOM 1520 OD2 ASP A 100 5.736 -3.487 -17.740 1.00 0.00 O ATOM 0 H ASP A 100 5.812 -1.881 -13.457 1.00 0.00 H new ATOM 0 HA ASP A 100 7.351 -0.913 -15.848 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.839 -2.470 -15.640 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.648 -1.002 -16.579 1.00 0.00 H new ATOM 1525 N TYR A 101 5.937 1.299 -15.872 1.00 0.00 N ATOM 1526 CA TYR A 101 5.439 2.674 -15.586 1.00 0.00 C ATOM 1527 C TYR A 101 4.166 2.925 -16.396 1.00 0.00 C ATOM 1528 O TYR A 101 4.220 3.321 -17.545 1.00 0.00 O ATOM 1529 CB TYR A 101 6.506 3.699 -15.981 1.00 0.00 C ATOM 1530 CG TYR A 101 7.670 3.619 -15.020 1.00 0.00 C ATOM 1531 CD1 TYR A 101 7.523 4.069 -13.702 1.00 0.00 C ATOM 1532 CD2 TYR A 101 8.896 3.092 -15.446 1.00 0.00 C ATOM 1533 CE1 TYR A 101 8.598 3.992 -12.812 1.00 0.00 C ATOM 1534 CE2 TYR A 101 9.972 3.015 -14.554 1.00 0.00 C ATOM 1535 CZ TYR A 101 9.823 3.465 -13.237 1.00 0.00 C ATOM 1536 OH TYR A 101 10.883 3.388 -12.359 1.00 0.00 O ATOM 0 H TYR A 101 6.307 1.159 -16.812 1.00 0.00 H new ATOM 0 HA TYR A 101 5.223 2.771 -14.522 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.848 3.509 -16.998 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.081 4.703 -15.970 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.578 4.476 -13.373 1.00 0.00 H new ATOM 0 HD2 TYR A 101 9.011 2.745 -16.462 1.00 0.00 H new ATOM 0 HE1 TYR A 101 8.483 4.339 -11.796 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.917 2.608 -14.882 1.00 0.00 H new ATOM 0 HH TYR A 101 10.648 2.798 -11.613 1.00 0.00 H new ATOM 1546 N LEU A 102 3.019 2.699 -15.813 1.00 0.00 N ATOM 1547 CA LEU A 102 1.749 2.929 -16.558 1.00 0.00 C ATOM 1548 C LEU A 102 1.380 4.416 -16.481 1.00 0.00 C ATOM 1549 O LEU A 102 1.757 5.092 -15.547 1.00 0.00 O ATOM 1550 CB LEU A 102 0.631 2.092 -15.931 1.00 0.00 C ATOM 1551 CG LEU A 102 -0.401 1.735 -17.002 1.00 0.00 C ATOM 1552 CD1 LEU A 102 -0.014 0.412 -17.663 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -1.779 1.594 -16.353 1.00 0.00 C ATOM 0 H LEU A 102 2.907 2.366 -14.855 1.00 0.00 H new ATOM 0 HA LEU A 102 1.878 2.638 -17.600 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.044 1.184 -15.492 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.155 2.648 -15.123 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.430 2.523 -17.755 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.750 0.158 -18.426 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.969 0.510 -18.124 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.015 -0.376 -16.910 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.516 1.340 -17.115 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.748 0.806 -15.601 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.057 2.536 -15.880 1.00 0.00 H new ATOM 1565 N PRO A 103 0.650 4.879 -17.466 1.00 0.00 N ATOM 1566 CA PRO A 103 0.261 6.307 -17.435 1.00 0.00 C ATOM 1567 C PRO A 103 -1.264 6.449 -17.484 1.00 0.00 C ATOM 1568 O PRO A 103 -1.991 5.475 -17.450 1.00 0.00 O ATOM 1569 CB PRO A 103 0.893 6.906 -18.692 1.00 0.00 C ATOM 1570 CG PRO A 103 1.107 5.734 -19.665 1.00 0.00 C ATOM 1571 CD PRO A 103 1.100 4.453 -18.815 1.00 0.00 C ATOM 0 HA PRO A 103 0.593 6.807 -16.525 1.00 0.00 H new ATOM 0 HB2 PRO A 103 0.243 7.663 -19.131 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.839 7.395 -18.457 1.00 0.00 H new ATOM 0 HG2 PRO A 103 0.318 5.705 -20.417 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.052 5.840 -20.198 1.00 0.00 H new ATOM 0 HD2 PRO A 103 0.427 3.706 -19.236 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.092 4.003 -18.775 1.00 0.00 H new ATOM 1579 N LYS A 104 -1.753 7.657 -17.570 1.00 0.00 N ATOM 1580 CA LYS A 104 -3.228 7.871 -17.625 1.00 0.00 C ATOM 1581 C LYS A 104 -3.584 8.566 -18.948 1.00 0.00 C ATOM 1582 O LYS A 104 -2.741 9.202 -19.548 1.00 0.00 O ATOM 1583 CB LYS A 104 -3.664 8.752 -16.448 1.00 0.00 C ATOM 1584 CG LYS A 104 -2.708 8.552 -15.268 1.00 0.00 C ATOM 1585 CD LYS A 104 -1.644 9.651 -15.280 1.00 0.00 C ATOM 1586 CE LYS A 104 -2.152 10.863 -14.497 1.00 0.00 C ATOM 1587 NZ LYS A 104 -2.122 10.560 -13.038 1.00 0.00 N ATOM 0 H LYS A 104 -1.192 8.508 -17.605 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.742 6.912 -17.563 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.671 9.800 -16.749 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.682 8.499 -16.150 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.262 8.578 -14.329 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.235 7.572 -15.332 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.719 9.281 -14.838 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.414 9.938 -16.306 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -1.532 11.734 -14.711 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -3.167 11.110 -14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.048 11.447 -12.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.995 10.064 -12.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.302 9.957 -12.825 1.00 0.00 H new ATOM 1601 N PRO A 105 -4.821 8.428 -19.368 1.00 0.00 N ATOM 1602 CA PRO A 105 -5.805 7.639 -18.590 1.00 0.00 C ATOM 1603 C PRO A 105 -5.598 6.140 -18.824 1.00 0.00 C ATOM 1604 O PRO A 105 -4.779 5.733 -19.623 1.00 0.00 O ATOM 1605 CB PRO A 105 -7.165 8.088 -19.132 1.00 0.00 C ATOM 1606 CG PRO A 105 -6.903 8.653 -20.541 1.00 0.00 C ATOM 1607 CD PRO A 105 -5.407 9.004 -20.603 1.00 0.00 C ATOM 0 HA PRO A 105 -5.712 7.799 -17.516 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -7.863 7.252 -19.172 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -7.611 8.845 -18.486 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.161 7.921 -21.306 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.516 9.535 -20.725 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.940 8.583 -21.494 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.257 10.083 -20.644 1.00 0.00 H new ATOM 1615 N PHE A 106 -6.335 5.318 -18.128 1.00 0.00 N ATOM 1616 CA PHE A 106 -6.181 3.846 -18.302 1.00 0.00 C ATOM 1617 C PHE A 106 -7.523 3.153 -18.060 1.00 0.00 C ATOM 1618 O PHE A 106 -8.266 3.513 -17.169 1.00 0.00 O ATOM 1619 CB PHE A 106 -5.161 3.323 -17.291 1.00 0.00 C ATOM 1620 CG PHE A 106 -5.714 3.481 -15.892 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -6.654 2.567 -15.400 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -5.286 4.545 -15.088 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -7.168 2.718 -14.106 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -5.800 4.695 -13.792 1.00 0.00 C ATOM 1625 CZ PHE A 106 -6.739 3.782 -13.302 1.00 0.00 C ATOM 0 H PHE A 106 -7.038 5.603 -17.446 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.842 3.637 -19.317 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.940 2.274 -17.490 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -4.223 3.870 -17.387 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -6.983 1.745 -16.019 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -4.560 5.250 -15.466 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.895 2.014 -13.728 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -5.471 5.516 -13.172 1.00 0.00 H new ATOM 0 HZ PHE A 106 -7.134 3.897 -12.303 1.00 0.00 H new ATOM 1635 N ASP A 107 -7.834 2.149 -18.836 1.00 0.00 N ATOM 1636 CA ASP A 107 -9.114 1.426 -18.635 1.00 0.00 C ATOM 1637 C ASP A 107 -8.940 0.456 -17.468 1.00 0.00 C ATOM 1638 O ASP A 107 -7.864 -0.059 -17.244 1.00 0.00 O ATOM 1639 CB ASP A 107 -9.454 0.646 -19.903 1.00 0.00 C ATOM 1640 CG ASP A 107 -10.968 0.454 -19.999 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -11.640 0.694 -19.008 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -11.431 0.072 -21.060 1.00 0.00 O ATOM 0 H ASP A 107 -7.254 1.801 -19.600 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.919 2.129 -18.420 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.089 1.181 -20.780 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.955 -0.323 -19.890 1.00 0.00 H new ATOM 1647 N ILE A 108 -9.972 0.207 -16.713 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.827 -0.725 -15.564 1.00 0.00 C ATOM 1649 C ILE A 108 -9.696 -2.155 -16.075 1.00 0.00 C ATOM 1650 O ILE A 108 -9.036 -2.978 -15.474 1.00 0.00 O ATOM 1651 CB ILE A 108 -11.048 -0.615 -14.654 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -10.820 -1.468 -13.405 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -12.289 -1.118 -15.395 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -10.576 -0.555 -12.202 1.00 0.00 C ATOM 0 H ILE A 108 -10.902 0.605 -16.841 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.933 -0.461 -14.999 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.198 0.426 -14.368 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.686 -2.104 -13.223 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.965 -2.128 -13.553 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -13.159 -1.038 -14.743 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.449 -0.515 -16.289 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -12.144 -2.160 -15.682 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.413 -1.162 -11.311 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -9.697 0.062 -12.386 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -11.444 0.087 -12.050 1.00 0.00 H new ATOM 1666 N ASP A 109 -10.305 -2.463 -17.181 1.00 0.00 N ATOM 1667 CA ASP A 109 -10.189 -3.835 -17.720 1.00 0.00 C ATOM 1668 C ASP A 109 -8.892 -3.925 -18.501 1.00 0.00 C ATOM 1669 O ASP A 109 -8.135 -4.862 -18.370 1.00 0.00 O ATOM 1670 CB ASP A 109 -11.367 -4.102 -18.648 1.00 0.00 C ATOM 1671 CG ASP A 109 -11.462 -5.598 -18.954 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -10.428 -6.207 -19.172 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -12.571 -6.111 -18.964 1.00 0.00 O ATOM 0 H ASP A 109 -10.877 -1.823 -17.732 1.00 0.00 H new ATOM 0 HA ASP A 109 -10.193 -4.570 -16.915 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.291 -3.758 -18.184 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.246 -3.540 -19.574 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.620 -2.942 -19.303 1.00 0.00 N ATOM 1679 CA GLU A 110 -7.357 -2.953 -20.079 1.00 0.00 C ATOM 1680 C GLU A 110 -6.195 -3.104 -19.100 1.00 0.00 C ATOM 1681 O GLU A 110 -5.237 -3.807 -19.357 1.00 0.00 O ATOM 1682 CB GLU A 110 -7.223 -1.633 -20.833 1.00 0.00 C ATOM 1683 CG GLU A 110 -5.913 -1.623 -21.620 1.00 0.00 C ATOM 1684 CD GLU A 110 -5.709 -0.244 -22.250 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -5.655 0.723 -21.507 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -5.608 -0.178 -23.464 1.00 0.00 O ATOM 0 H GLU A 110 -9.218 -2.130 -19.455 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.354 -3.777 -20.793 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.067 -1.502 -21.510 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.244 -0.798 -20.132 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.078 -1.861 -20.961 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.936 -2.389 -22.395 1.00 0.00 H new ATOM 1693 N ALA A 111 -6.278 -2.453 -17.968 1.00 0.00 N ATOM 1694 CA ALA A 111 -5.196 -2.557 -16.968 1.00 0.00 C ATOM 1695 C ALA A 111 -5.265 -3.926 -16.295 1.00 0.00 C ATOM 1696 O ALA A 111 -4.375 -4.734 -16.426 1.00 0.00 O ATOM 1697 CB ALA A 111 -5.407 -1.465 -15.928 1.00 0.00 C ATOM 0 H ALA A 111 -7.058 -1.852 -17.700 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.222 -2.441 -17.443 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.619 -1.521 -15.177 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.377 -0.490 -16.413 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.376 -1.602 -15.448 1.00 0.00 H new ATOM 1703 N VAL A 112 -6.316 -4.173 -15.559 1.00 0.00 N ATOM 1704 CA VAL A 112 -6.461 -5.475 -14.848 1.00 0.00 C ATOM 1705 C VAL A 112 -5.899 -6.620 -15.700 1.00 0.00 C ATOM 1706 O VAL A 112 -5.022 -7.349 -15.283 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.948 -5.711 -14.591 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -8.177 -7.160 -14.168 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -8.418 -4.778 -13.472 1.00 0.00 C ATOM 0 H VAL A 112 -7.088 -3.521 -15.419 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.907 -5.445 -13.910 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.509 -5.510 -15.503 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.239 -7.322 -13.986 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.838 -7.828 -14.960 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.617 -7.366 -13.256 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -9.479 -4.941 -13.284 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -7.852 -4.985 -12.564 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -8.258 -3.742 -13.771 1.00 0.00 H new ATOM 1719 N ALA A 113 -6.412 -6.781 -16.886 1.00 0.00 N ATOM 1720 CA ALA A 113 -5.940 -7.875 -17.785 1.00 0.00 C ATOM 1721 C ALA A 113 -4.437 -7.737 -18.055 1.00 0.00 C ATOM 1722 O ALA A 113 -3.651 -8.584 -17.674 1.00 0.00 O ATOM 1723 CB ALA A 113 -6.699 -7.786 -19.111 1.00 0.00 C ATOM 0 H ALA A 113 -7.148 -6.194 -17.278 1.00 0.00 H new ATOM 0 HA ALA A 113 -6.123 -8.836 -17.305 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.363 -8.581 -19.777 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -7.768 -7.895 -18.927 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.508 -6.819 -19.575 1.00 0.00 H new ATOM 1729 N LEU A 114 -4.045 -6.690 -18.737 1.00 0.00 N ATOM 1730 CA LEU A 114 -2.606 -6.483 -19.075 1.00 0.00 C ATOM 1731 C LEU A 114 -1.723 -6.987 -17.938 1.00 0.00 C ATOM 1732 O LEU A 114 -0.840 -7.798 -18.131 1.00 0.00 O ATOM 1733 CB LEU A 114 -2.371 -4.989 -19.278 1.00 0.00 C ATOM 1734 CG LEU A 114 -0.880 -4.723 -19.493 1.00 0.00 C ATOM 1735 CD1 LEU A 114 -0.614 -4.502 -20.984 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -0.465 -3.471 -18.714 1.00 0.00 C ATOM 0 H LEU A 114 -4.671 -5.961 -19.078 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.356 -7.034 -19.982 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.940 -4.636 -20.138 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.727 -4.434 -18.410 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.304 -5.579 -19.140 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.448 -4.312 -21.140 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.910 -5.391 -21.542 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.191 -3.646 -21.333 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.597 -3.282 -18.868 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.040 -2.615 -19.067 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.656 -3.623 -17.652 1.00 0.00 H new ATOM 1748 N VAL A 115 -1.965 -6.515 -16.751 1.00 0.00 N ATOM 1749 CA VAL A 115 -1.162 -6.961 -15.594 1.00 0.00 C ATOM 1750 C VAL A 115 -1.252 -8.483 -15.486 1.00 0.00 C ATOM 1751 O VAL A 115 -0.250 -9.166 -15.471 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.725 -6.315 -14.328 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -1.180 -7.034 -13.101 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -1.312 -4.844 -14.280 1.00 0.00 C ATOM 0 H VAL A 115 -2.692 -5.833 -16.535 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.119 -6.670 -15.718 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.812 -6.389 -14.338 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -1.583 -6.572 -12.200 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.474 -8.083 -13.133 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -0.092 -6.962 -13.091 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.713 -4.383 -13.378 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -0.224 -4.772 -14.272 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.704 -4.327 -15.156 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.451 -9.009 -15.394 1.00 0.00 N ATOM 1765 CA GLU A 116 -2.625 -10.490 -15.268 1.00 0.00 C ATOM 1766 C GLU A 116 -1.551 -11.211 -16.080 1.00 0.00 C ATOM 1767 O GLU A 116 -0.972 -12.184 -15.641 1.00 0.00 O ATOM 1768 CB GLU A 116 -4.003 -10.887 -15.801 1.00 0.00 C ATOM 1769 CG GLU A 116 -4.106 -12.413 -15.852 1.00 0.00 C ATOM 1770 CD GLU A 116 -5.476 -12.816 -16.401 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -5.992 -12.095 -17.239 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -5.985 -13.839 -15.975 1.00 0.00 O ATOM 0 H GLU A 116 -3.319 -8.473 -15.401 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.537 -10.771 -14.219 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.785 -10.480 -15.160 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.156 -10.467 -16.795 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.316 -12.820 -16.483 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -3.965 -12.831 -14.855 1.00 0.00 H new ATOM 1779 N ARG A 117 -1.276 -10.731 -17.262 1.00 0.00 N ATOM 1780 CA ARG A 117 -0.233 -11.378 -18.101 1.00 0.00 C ATOM 1781 C ARG A 117 1.146 -11.045 -17.529 1.00 0.00 C ATOM 1782 O ARG A 117 1.933 -11.921 -17.231 1.00 0.00 O ATOM 1783 CB ARG A 117 -0.336 -10.859 -19.538 1.00 0.00 C ATOM 1784 CG ARG A 117 -1.808 -10.646 -19.900 1.00 0.00 C ATOM 1785 CD ARG A 117 -1.976 -10.704 -21.420 1.00 0.00 C ATOM 1786 NE ARG A 117 -1.872 -12.118 -21.878 1.00 0.00 N ATOM 1787 CZ ARG A 117 -1.762 -12.387 -23.151 1.00 0.00 C ATOM 1788 NH1 ARG A 117 -2.650 -11.934 -23.992 1.00 0.00 N ATOM 1789 NH2 ARG A 117 -0.763 -13.107 -23.582 1.00 0.00 N ATOM 0 H ARG A 117 -1.729 -9.919 -17.681 1.00 0.00 H new ATOM 0 HA ARG A 117 -0.378 -12.458 -18.101 1.00 0.00 H new ATOM 0 HB2 ARG A 117 0.213 -9.923 -19.638 1.00 0.00 H new ATOM 0 HB3 ARG A 117 0.119 -11.571 -20.226 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.424 -11.411 -19.426 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.150 -9.682 -19.523 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -2.942 -10.288 -21.706 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -1.212 -10.097 -21.904 1.00 0.00 H new ATOM 0 HE ARG A 117 -1.887 -12.877 -21.196 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -3.430 -11.370 -23.655 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -2.564 -12.144 -24.986 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -0.068 -13.460 -22.924 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -0.677 -13.317 -24.576 1.00 0.00 H new ATOM 1803 N ALA A 118 1.444 -9.785 -17.365 1.00 0.00 N ATOM 1804 CA ALA A 118 2.768 -9.404 -16.803 1.00 0.00 C ATOM 1805 C ALA A 118 3.076 -10.293 -15.597 1.00 0.00 C ATOM 1806 O ALA A 118 3.998 -11.080 -15.616 1.00 0.00 O ATOM 1807 CB ALA A 118 2.732 -7.938 -16.361 1.00 0.00 C ATOM 0 H ALA A 118 0.828 -9.005 -17.596 1.00 0.00 H new ATOM 0 HA ALA A 118 3.540 -9.534 -17.561 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.702 -7.658 -15.949 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.506 -7.305 -17.219 1.00 0.00 H new ATOM 0 HB3 ALA A 118 1.963 -7.806 -15.600 1.00 0.00 H new ATOM 1813 N ILE A 119 2.320 -10.148 -14.540 1.00 0.00 N ATOM 1814 CA ILE A 119 2.557 -10.957 -13.313 1.00 0.00 C ATOM 1815 C ILE A 119 2.976 -12.379 -13.698 1.00 0.00 C ATOM 1816 O ILE A 119 3.854 -12.966 -13.097 1.00 0.00 O ATOM 1817 CB ILE A 119 1.257 -11.019 -12.509 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.594 -9.638 -12.476 1.00 0.00 C ATOM 1819 CG2 ILE A 119 1.560 -11.461 -11.071 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.532 -9.639 -11.441 1.00 0.00 C ATOM 0 H ILE A 119 1.539 -9.495 -14.477 1.00 0.00 H new ATOM 0 HA ILE A 119 3.349 -10.499 -12.721 1.00 0.00 H new ATOM 0 HB ILE A 119 0.585 -11.734 -12.983 1.00 0.00 H new ATOM 0 HG12 ILE A 119 1.331 -8.875 -12.227 1.00 0.00 H new ATOM 0 HG13 ILE A 119 0.198 -9.389 -13.460 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.632 -11.504 -10.501 1.00 0.00 H new ATOM 0 HG22 ILE A 119 2.025 -12.447 -11.084 1.00 0.00 H new ATOM 0 HG23 ILE A 119 2.239 -10.746 -10.606 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -1.005 -8.657 -11.416 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.273 -10.392 -11.710 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.122 -9.869 -10.458 1.00 0.00 H new ATOM 1832 N SER A 120 2.342 -12.938 -14.696 1.00 0.00 N ATOM 1833 CA SER A 120 2.690 -14.325 -15.127 1.00 0.00 C ATOM 1834 C SER A 120 4.209 -14.474 -15.225 1.00 0.00 C ATOM 1835 O SER A 120 4.791 -15.354 -14.622 1.00 0.00 O ATOM 1836 CB SER A 120 2.059 -14.605 -16.492 1.00 0.00 C ATOM 1837 OG SER A 120 0.703 -14.179 -16.482 1.00 0.00 O ATOM 0 H SER A 120 1.597 -12.493 -15.232 1.00 0.00 H new ATOM 0 HA SER A 120 2.309 -15.036 -14.394 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.610 -14.082 -17.274 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.116 -15.669 -16.720 1.00 0.00 H new ATOM 0 HG SER A 120 0.668 -13.200 -16.469 1.00 0.00 H new ATOM 1843 N HIS A 121 4.854 -13.626 -15.986 1.00 0.00 N ATOM 1844 CA HIS A 121 6.338 -13.716 -16.132 1.00 0.00 C ATOM 1845 C HIS A 121 6.972 -14.080 -14.788 1.00 0.00 C ATOM 1846 O HIS A 121 7.850 -14.915 -14.712 1.00 0.00 O ATOM 1847 CB HIS A 121 6.886 -12.366 -16.603 1.00 0.00 C ATOM 1848 CG HIS A 121 8.318 -12.530 -17.034 1.00 0.00 C ATOM 1849 ND1 HIS A 121 9.062 -11.479 -17.552 1.00 0.00 N ATOM 1850 CD2 HIS A 121 9.157 -13.618 -17.034 1.00 0.00 C ATOM 1851 CE1 HIS A 121 10.288 -11.954 -17.841 1.00 0.00 C ATOM 1852 NE2 HIS A 121 10.398 -13.253 -17.544 1.00 0.00 N ATOM 0 H HIS A 121 4.414 -12.872 -16.514 1.00 0.00 H new ATOM 0 HA HIS A 121 6.580 -14.487 -16.864 1.00 0.00 H new ATOM 0 HB2 HIS A 121 6.287 -11.987 -17.431 1.00 0.00 H new ATOM 0 HB3 HIS A 121 6.818 -11.633 -15.799 1.00 0.00 H new ATOM 0 HD2 HIS A 121 8.893 -14.607 -16.690 1.00 0.00 H new ATOM 0 HE1 HIS A 121 11.085 -11.359 -18.261 1.00 0.00 H new ATOM 0 HE2 HIS A 121 11.217 -13.849 -17.666 1.00 0.00 H new ATOM 1860 N TYR A 122 6.531 -13.464 -13.725 1.00 0.00 N ATOM 1861 CA TYR A 122 7.108 -13.782 -12.391 1.00 0.00 C ATOM 1862 C TYR A 122 6.539 -15.114 -11.896 1.00 0.00 C ATOM 1863 O TYR A 122 5.462 -15.169 -11.336 1.00 0.00 O ATOM 1864 CB TYR A 122 6.746 -12.676 -11.399 1.00 0.00 C ATOM 1865 CG TYR A 122 7.532 -12.871 -10.126 1.00 0.00 C ATOM 1866 CD1 TYR A 122 8.930 -12.806 -10.151 1.00 0.00 C ATOM 1867 CD2 TYR A 122 6.864 -13.122 -8.921 1.00 0.00 C ATOM 1868 CE1 TYR A 122 9.661 -12.991 -8.971 1.00 0.00 C ATOM 1869 CE2 TYR A 122 7.594 -13.306 -7.742 1.00 0.00 C ATOM 1870 CZ TYR A 122 8.992 -13.241 -7.766 1.00 0.00 C ATOM 1871 OH TYR A 122 9.713 -13.425 -6.604 1.00 0.00 O ATOM 0 H TYR A 122 5.797 -12.756 -13.724 1.00 0.00 H new ATOM 0 HA TYR A 122 8.192 -13.855 -12.473 1.00 0.00 H new ATOM 0 HB2 TYR A 122 6.966 -11.699 -11.830 1.00 0.00 H new ATOM 0 HB3 TYR A 122 5.677 -12.698 -11.187 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.445 -12.613 -11.081 1.00 0.00 H new ATOM 0 HD2 TYR A 122 5.785 -13.174 -8.902 1.00 0.00 H new ATOM 0 HE1 TYR A 122 10.740 -12.941 -8.990 1.00 0.00 H new ATOM 0 HE2 TYR A 122 7.079 -13.498 -6.813 1.00 0.00 H new ATOM 0 HH TYR A 122 9.248 -12.991 -5.858 1.00 0.00 H new ATOM 1881 N GLN A 123 7.252 -16.187 -12.101 1.00 0.00 N ATOM 1882 CA GLN A 123 6.751 -17.513 -11.645 1.00 0.00 C ATOM 1883 C GLN A 123 7.784 -18.152 -10.713 1.00 0.00 C ATOM 1884 O GLN A 123 8.042 -19.337 -10.774 1.00 0.00 O ATOM 1885 CB GLN A 123 6.527 -18.419 -12.858 1.00 0.00 C ATOM 1886 CG GLN A 123 5.032 -18.707 -13.011 1.00 0.00 C ATOM 1887 CD GLN A 123 4.805 -19.602 -14.231 1.00 0.00 C ATOM 1888 OE1 GLN A 123 4.157 -20.626 -14.137 1.00 0.00 O ATOM 1889 NE2 GLN A 123 5.313 -19.256 -15.383 1.00 0.00 N ATOM 0 H GLN A 123 8.160 -16.202 -12.565 1.00 0.00 H new ATOM 0 HA GLN A 123 5.809 -17.384 -11.111 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.910 -17.940 -13.759 1.00 0.00 H new ATOM 0 HB3 GLN A 123 7.077 -19.352 -12.735 1.00 0.00 H new ATOM 0 HG2 GLN A 123 4.651 -19.195 -12.114 1.00 0.00 H new ATOM 0 HG3 GLN A 123 4.481 -17.773 -13.124 1.00 0.00 H new ATOM 0 HE21 GLN A 123 5.857 -18.397 -15.463 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.166 -19.845 -16.203 1.00 0.00 H new ATOM 1898 N GLU A 124 8.377 -17.370 -9.852 1.00 0.00 N ATOM 1899 CA GLU A 124 9.394 -17.925 -8.914 1.00 0.00 C ATOM 1900 C GLU A 124 8.766 -18.112 -7.532 1.00 0.00 C ATOM 1901 O GLU A 124 7.648 -18.594 -7.472 1.00 0.00 O ATOM 1902 CB GLU A 124 10.573 -16.956 -8.809 1.00 0.00 C ATOM 1903 CG GLU A 124 11.646 -17.557 -7.901 1.00 0.00 C ATOM 1904 CD GLU A 124 13.018 -17.014 -8.304 1.00 0.00 C ATOM 1905 OE1 GLU A 124 13.073 -16.248 -9.252 1.00 0.00 O ATOM 1906 OE2 GLU A 124 13.988 -17.371 -7.657 1.00 0.00 O ATOM 1907 OXT GLU A 124 9.415 -17.769 -6.557 1.00 0.00 O ATOM 0 H GLU A 124 8.201 -16.370 -9.758 1.00 0.00 H new ATOM 0 HA GLU A 124 9.745 -18.887 -9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.986 -16.760 -9.798 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.237 -15.999 -8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.437 -17.310 -6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 124 11.636 -18.644 -7.979 1.00 0.00 H new