USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 TYR OH : rot 50:sc= -1.35 USER MOD Set 1.2: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 59 ASN : amide:sc= -2.21 K(o=-4.1,f=-4.9!) USER MOD Set 2.2: A 111 THR OG1 : rot 180:sc= -1.91! USER MOD Set 3.1: A 36 THR OG1 : rot -94:sc= -1.17! USER MOD Set 3.2: A 37 ASN : amide:sc= -3.76! C(o=-12!,f=-17!) USER MOD Set 3.3: A 40 TYR OH : rot -52:sc= -7.24! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 160:sc= -1.36! USER MOD Single : A 22 GLN : amide:sc= -7.48! C(o=-7.5!,f=-7.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.11! K(o=-2.1!,f=-1.3) USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.11) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00184 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.52! C(o=-2.5!,f=-4.4!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 53 GLN : amide:sc= -0.606 K(o=-0.61,f=-1.8) USER MOD Single : A 58 THR OG1 : rot -38:sc= -0.149 USER MOD Single : A 60 TYR OH : rot 180:sc= -1.52 USER MOD Single : A 63 LYS NZ :NH3+ 142:sc= -0.79! (180deg=-1.7!) USER MOD Single : A 92 ASN : amide:sc= -0.158 K(o=-0.16,f=-4!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.655 USER MOD Single : A 95 MET CE :methyl -136:sc= -8.38! (180deg=-13.6!) USER MOD Single : A 96 HIS : no HD1:sc= -16.2! C(o=-16!,f=-16!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 120:sc= -0.91 USER MOD Single : A 114 GLN : amide:sc= -10.5! C(o=-11!,f=-15!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.083) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 112:sc= -0.806! USER MOD ----------------------------------------------------------------- ATOM 67 N LEU A 11 -8.852 0.449 11.395 1.00 0.00 N ATOM 68 CA LEU A 11 -7.655 -0.363 11.048 1.00 0.00 C ATOM 69 C LEU A 11 -7.821 -1.807 11.504 1.00 0.00 C ATOM 70 O LEU A 11 -8.137 -2.087 12.644 1.00 0.00 O ATOM 71 CB LEU A 11 -6.433 0.249 11.715 1.00 0.00 C ATOM 72 CG LEU A 11 -6.021 1.457 10.892 1.00 0.00 C ATOM 73 CD1 LEU A 11 -6.349 2.740 11.658 1.00 0.00 C ATOM 74 CD2 LEU A 11 -4.522 1.401 10.603 1.00 0.00 C ATOM 0 HA LEU A 11 -7.532 -0.363 9.965 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.662 0.543 12.739 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.620 -0.476 11.766 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.568 1.450 9.949 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.052 3.604 11.064 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.421 2.784 11.852 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.808 2.747 12.604 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.233 2.270 10.012 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.970 1.401 11.543 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.292 0.492 10.047 1.00 0.00 H new ATOM 86 N SER A 12 -7.604 -2.718 10.606 1.00 0.00 N ATOM 87 CA SER A 12 -7.737 -4.159 10.947 1.00 0.00 C ATOM 88 C SER A 12 -6.349 -4.760 11.169 1.00 0.00 C ATOM 89 O SER A 12 -5.345 -4.193 10.785 1.00 0.00 O ATOM 90 CB SER A 12 -8.427 -4.893 9.796 1.00 0.00 C ATOM 91 OG SER A 12 -9.828 -4.927 10.032 1.00 0.00 O ATOM 0 H SER A 12 -7.337 -2.527 9.640 1.00 0.00 H new ATOM 0 HA SER A 12 -8.330 -4.263 11.855 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.218 -4.390 8.852 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.037 -5.907 9.710 1.00 0.00 H new ATOM 0 HG SER A 12 -10.273 -5.395 9.295 1.00 0.00 H new ATOM 97 N GLU A 13 -6.288 -5.907 11.780 1.00 0.00 N ATOM 98 CA GLU A 13 -4.978 -6.560 12.024 1.00 0.00 C ATOM 99 C GLU A 13 -4.162 -6.554 10.732 1.00 0.00 C ATOM 100 O GLU A 13 -4.629 -6.123 9.696 1.00 0.00 O ATOM 101 CB GLU A 13 -5.209 -8.004 12.468 1.00 0.00 C ATOM 102 CG GLU A 13 -4.127 -8.423 13.464 1.00 0.00 C ATOM 103 CD GLU A 13 -4.615 -9.635 14.261 1.00 0.00 C ATOM 104 OE1 GLU A 13 -5.546 -9.475 15.033 1.00 0.00 O ATOM 105 OE2 GLU A 13 -4.051 -10.702 14.083 1.00 0.00 O ATOM 0 H GLU A 13 -7.098 -6.424 12.123 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.438 -6.019 12.801 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.193 -8.099 12.926 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.195 -8.666 11.602 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.205 -8.668 12.936 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.898 -7.598 14.139 1.00 0.00 H new ATOM 112 N ALA A 14 -2.951 -7.035 10.772 1.00 0.00 N ATOM 113 CA ALA A 14 -2.136 -7.051 9.524 1.00 0.00 C ATOM 114 C ALA A 14 -2.455 -8.291 8.724 1.00 0.00 C ATOM 115 O ALA A 14 -1.868 -9.336 8.930 1.00 0.00 O ATOM 116 CB ALA A 14 -0.641 -7.093 9.822 1.00 0.00 C ATOM 0 H ALA A 14 -2.494 -7.413 11.602 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.378 -6.140 8.977 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.083 -7.104 8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.361 -6.213 10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.409 -7.992 10.393 1.00 0.00 H new ATOM 122 N LYS A 15 -3.315 -8.190 7.768 1.00 0.00 N ATOM 123 CA LYS A 15 -3.559 -9.380 6.939 1.00 0.00 C ATOM 124 C LYS A 15 -2.301 -9.501 6.104 1.00 0.00 C ATOM 125 O LYS A 15 -1.822 -8.511 5.594 1.00 0.00 O ATOM 126 CB LYS A 15 -4.784 -9.166 6.052 1.00 0.00 C ATOM 127 CG LYS A 15 -5.998 -8.843 6.922 1.00 0.00 C ATOM 128 CD LYS A 15 -6.315 -10.030 7.833 1.00 0.00 C ATOM 129 CE LYS A 15 -6.633 -9.518 9.239 1.00 0.00 C ATOM 130 NZ LYS A 15 -7.123 -10.645 10.081 1.00 0.00 N ATOM 0 H LYS A 15 -3.849 -7.355 7.528 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.760 -10.277 7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.600 -8.352 5.351 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.977 -10.060 5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.800 -7.955 7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.858 -8.617 6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.162 -10.591 7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.467 -10.714 7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.742 -9.077 9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.387 -8.733 9.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.339 -10.296 11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.983 -11.047 9.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.389 -11.380 10.138 1.00 0.00 H new ATOM 144 N PRO A 16 -1.755 -10.668 6.016 1.00 0.00 N ATOM 145 CA PRO A 16 -0.508 -10.837 5.282 1.00 0.00 C ATOM 146 C PRO A 16 -0.754 -10.557 3.798 1.00 0.00 C ATOM 147 O PRO A 16 -1.659 -11.097 3.195 1.00 0.00 O ATOM 148 CB PRO A 16 -0.104 -12.287 5.571 1.00 0.00 C ATOM 149 CG PRO A 16 -1.397 -13.008 6.021 1.00 0.00 C ATOM 150 CD PRO A 16 -2.326 -11.908 6.575 1.00 0.00 C ATOM 0 HA PRO A 16 0.288 -10.153 5.575 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.317 -12.759 4.683 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.659 -12.332 6.348 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.864 -13.529 5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.181 -13.757 6.783 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.358 -12.055 6.256 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.328 -11.894 7.665 1.00 0.00 H new ATOM 158 N ALA A 17 0.012 -9.671 3.227 1.00 0.00 N ATOM 159 CA ALA A 17 -0.200 -9.297 1.803 1.00 0.00 C ATOM 160 C ALA A 17 -0.555 -10.506 0.947 1.00 0.00 C ATOM 161 O ALA A 17 -0.187 -11.632 1.221 1.00 0.00 O ATOM 162 CB ALA A 17 1.055 -8.644 1.232 1.00 0.00 C ATOM 0 H ALA A 17 0.781 -9.187 3.690 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.033 -8.595 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.884 -8.376 0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.290 -7.746 1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.889 -9.343 1.295 1.00 0.00 H new ATOM 168 N THR A 18 -1.255 -10.238 -0.112 1.00 0.00 N ATOM 169 CA THR A 18 -1.660 -11.293 -1.076 1.00 0.00 C ATOM 170 C THR A 18 -1.409 -10.695 -2.460 1.00 0.00 C ATOM 171 O THR A 18 -0.813 -9.646 -2.541 1.00 0.00 O ATOM 172 CB THR A 18 -3.150 -11.633 -0.879 1.00 0.00 C ATOM 173 OG1 THR A 18 -3.936 -10.948 -1.833 1.00 0.00 O ATOM 174 CG2 THR A 18 -3.608 -11.202 0.503 1.00 0.00 C ATOM 0 H THR A 18 -1.574 -9.301 -0.358 1.00 0.00 H new ATOM 0 HA THR A 18 -1.102 -12.220 -0.941 1.00 0.00 H new ATOM 0 HB THR A 18 -3.269 -12.710 -0.996 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.805 -11.393 -1.921 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.662 -11.448 0.630 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.021 -11.722 1.260 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.470 -10.126 0.613 1.00 0.00 H new ATOM 182 N PRO A 19 -1.854 -11.321 -3.516 1.00 0.00 N ATOM 183 CA PRO A 19 -1.642 -10.748 -4.850 1.00 0.00 C ATOM 184 C PRO A 19 -2.493 -9.482 -4.997 1.00 0.00 C ATOM 185 O PRO A 19 -2.249 -8.645 -5.846 1.00 0.00 O ATOM 186 CB PRO A 19 -2.056 -11.873 -5.806 1.00 0.00 C ATOM 187 CG PRO A 19 -2.965 -12.819 -4.992 1.00 0.00 C ATOM 188 CD PRO A 19 -2.592 -12.608 -3.511 1.00 0.00 C ATOM 0 HA PRO A 19 -0.618 -10.433 -5.050 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.586 -11.473 -6.671 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.182 -12.403 -6.184 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -4.017 -12.591 -5.164 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.811 -13.857 -5.288 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.478 -12.560 -2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.974 -13.423 -3.133 1.00 0.00 H new ATOM 196 N GLU A 20 -3.462 -9.308 -4.137 1.00 0.00 N ATOM 197 CA GLU A 20 -4.299 -8.080 -4.204 1.00 0.00 C ATOM 198 C GLU A 20 -3.552 -6.950 -3.507 1.00 0.00 C ATOM 199 O GLU A 20 -3.429 -5.854 -4.021 1.00 0.00 O ATOM 200 CB GLU A 20 -5.635 -8.336 -3.505 1.00 0.00 C ATOM 201 CG GLU A 20 -6.785 -7.995 -4.453 1.00 0.00 C ATOM 202 CD GLU A 20 -8.101 -7.991 -3.673 1.00 0.00 C ATOM 203 OE1 GLU A 20 -8.045 -8.067 -2.455 1.00 0.00 O ATOM 204 OE2 GLU A 20 -9.141 -7.911 -4.304 1.00 0.00 O ATOM 0 H GLU A 20 -3.707 -9.963 -3.394 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.493 -7.808 -5.242 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.702 -9.380 -3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.705 -7.732 -2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.617 -7.020 -4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.832 -8.723 -5.263 1.00 0.00 H new ATOM 211 N ILE A 21 -3.025 -7.223 -2.351 1.00 0.00 N ATOM 212 CA ILE A 21 -2.247 -6.192 -1.617 1.00 0.00 C ATOM 213 C ILE A 21 -1.092 -5.767 -2.506 1.00 0.00 C ATOM 214 O ILE A 21 -0.900 -4.605 -2.810 1.00 0.00 O ATOM 215 CB ILE A 21 -1.720 -6.827 -0.330 1.00 0.00 C ATOM 216 CG1 ILE A 21 -2.875 -7.549 0.365 1.00 0.00 C ATOM 217 CG2 ILE A 21 -1.164 -5.744 0.595 1.00 0.00 C ATOM 218 CD1 ILE A 21 -4.113 -6.662 0.347 1.00 0.00 C ATOM 0 H ILE A 21 -3.100 -8.124 -1.879 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.856 -5.323 -1.368 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.923 -7.532 -0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.084 -8.493 -0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.602 -7.790 1.392 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.790 -6.204 1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.350 -5.220 0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.954 -5.035 0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.936 -7.176 0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.900 -5.730 0.870 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.389 -6.444 -0.685 1.00 0.00 H new ATOM 230 N GLN A 22 -0.345 -6.728 -2.942 1.00 0.00 N ATOM 231 CA GLN A 22 0.801 -6.447 -3.850 1.00 0.00 C ATOM 232 C GLN A 22 0.263 -5.815 -5.139 1.00 0.00 C ATOM 233 O GLN A 22 0.990 -5.189 -5.875 1.00 0.00 O ATOM 234 CB GLN A 22 1.536 -7.756 -4.167 1.00 0.00 C ATOM 235 CG GLN A 22 2.433 -7.585 -5.402 1.00 0.00 C ATOM 236 CD GLN A 22 3.704 -6.817 -5.023 1.00 0.00 C ATOM 237 OE1 GLN A 22 4.612 -7.379 -4.446 1.00 0.00 O ATOM 238 NE2 GLN A 22 3.810 -5.549 -5.326 1.00 0.00 N ATOM 0 H GLN A 22 -0.476 -7.712 -2.708 1.00 0.00 H new ATOM 0 HA GLN A 22 1.501 -5.761 -3.373 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.140 -8.057 -3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.813 -8.552 -4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.696 -8.561 -5.809 1.00 0.00 H new ATOM 0 HG3 GLN A 22 1.893 -7.049 -6.183 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.048 -5.075 -5.811 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.655 -5.034 -5.077 1.00 0.00 H new ATOM 247 N GLU A 23 -1.007 -5.968 -5.424 1.00 0.00 N ATOM 248 CA GLU A 23 -1.563 -5.345 -6.663 1.00 0.00 C ATOM 249 C GLU A 23 -1.736 -3.841 -6.424 1.00 0.00 C ATOM 250 O GLU A 23 -1.500 -3.029 -7.294 1.00 0.00 O ATOM 251 CB GLU A 23 -2.918 -5.975 -6.994 1.00 0.00 C ATOM 252 CG GLU A 23 -3.427 -5.429 -8.331 1.00 0.00 C ATOM 253 CD GLU A 23 -3.424 -6.549 -9.374 1.00 0.00 C ATOM 254 OE1 GLU A 23 -4.415 -7.254 -9.460 1.00 0.00 O ATOM 255 OE2 GLU A 23 -2.430 -6.680 -10.070 1.00 0.00 O ATOM 0 H GLU A 23 -1.676 -6.491 -4.859 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.883 -5.511 -7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.823 -7.060 -7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.635 -5.755 -6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.434 -5.030 -8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.795 -4.606 -8.664 1.00 0.00 H new ATOM 262 N ILE A 24 -2.124 -3.476 -5.234 1.00 0.00 N ATOM 263 CA ILE A 24 -2.295 -2.031 -4.876 1.00 0.00 C ATOM 264 C ILE A 24 -0.944 -1.347 -4.976 1.00 0.00 C ATOM 265 O ILE A 24 -0.789 -0.320 -5.606 1.00 0.00 O ATOM 266 CB ILE A 24 -2.794 -1.954 -3.434 1.00 0.00 C ATOM 267 CG1 ILE A 24 -4.268 -2.351 -3.382 1.00 0.00 C ATOM 268 CG2 ILE A 24 -2.632 -0.535 -2.904 1.00 0.00 C ATOM 269 CD1 ILE A 24 -4.477 -3.341 -2.240 1.00 0.00 C ATOM 0 H ILE A 24 -2.335 -4.127 -4.478 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.005 -1.546 -5.546 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.210 -2.636 -2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.890 -1.469 -3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.571 -2.799 -4.328 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.990 -0.488 -1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.580 -0.253 -2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.210 0.152 -3.521 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.527 -3.629 -2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.864 -4.226 -2.409 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.189 -2.875 -1.297 1.00 0.00 H new ATOM 281 N VAL A 25 0.032 -1.924 -4.359 1.00 0.00 N ATOM 282 CA VAL A 25 1.389 -1.350 -4.396 1.00 0.00 C ATOM 283 C VAL A 25 1.924 -1.421 -5.815 1.00 0.00 C ATOM 284 O VAL A 25 2.528 -0.500 -6.325 1.00 0.00 O ATOM 285 CB VAL A 25 2.256 -2.193 -3.507 1.00 0.00 C ATOM 286 CG1 VAL A 25 2.274 -3.585 -4.069 1.00 0.00 C ATOM 287 CG2 VAL A 25 3.657 -1.663 -3.528 1.00 0.00 C ATOM 0 H VAL A 25 -0.055 -2.786 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 25 1.379 -0.311 -4.066 1.00 0.00 H new ATOM 0 HB VAL A 25 1.872 -2.181 -2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.898 -4.222 -3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.259 -3.981 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.678 -3.564 -5.081 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.287 -2.275 -2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.043 -1.694 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.662 -0.634 -3.170 1.00 0.00 H new ATOM 297 N ASP A 26 1.679 -2.517 -6.451 1.00 0.00 N ATOM 298 CA ASP A 26 2.133 -2.684 -7.854 1.00 0.00 C ATOM 299 C ASP A 26 1.295 -1.745 -8.701 1.00 0.00 C ATOM 300 O ASP A 26 1.626 -1.420 -9.824 1.00 0.00 O ATOM 301 CB ASP A 26 1.910 -4.127 -8.307 1.00 0.00 C ATOM 302 CG ASP A 26 2.740 -4.402 -9.561 1.00 0.00 C ATOM 303 OD1 ASP A 26 2.405 -3.861 -10.602 1.00 0.00 O ATOM 304 OD2 ASP A 26 3.698 -5.151 -9.459 1.00 0.00 O ATOM 0 H ASP A 26 1.179 -3.316 -6.060 1.00 0.00 H new ATOM 0 HA ASP A 26 3.195 -2.459 -7.950 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.193 -4.817 -7.512 1.00 0.00 H new ATOM 0 HB3 ASP A 26 0.853 -4.295 -8.513 1.00 0.00 H new ATOM 309 N LYS A 27 0.208 -1.294 -8.141 1.00 0.00 N ATOM 310 CA LYS A 27 -0.672 -0.350 -8.878 1.00 0.00 C ATOM 311 C LYS A 27 -0.145 1.064 -8.651 1.00 0.00 C ATOM 312 O LYS A 27 -0.435 1.979 -9.396 1.00 0.00 O ATOM 313 CB LYS A 27 -2.110 -0.464 -8.352 1.00 0.00 C ATOM 314 CG LYS A 27 -2.979 -1.167 -9.396 1.00 0.00 C ATOM 315 CD LYS A 27 -4.422 -0.669 -9.280 1.00 0.00 C ATOM 316 CE LYS A 27 -5.363 -1.858 -9.069 1.00 0.00 C ATOM 317 NZ LYS A 27 -6.223 -2.034 -10.273 1.00 0.00 N ATOM 0 H LYS A 27 -0.108 -1.540 -7.203 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.673 -0.584 -9.943 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.123 -1.023 -7.416 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.510 0.527 -8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.595 -0.970 -10.397 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.943 -2.246 -9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.510 0.029 -8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.703 -0.126 -10.182 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.785 -2.764 -8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.983 -1.692 -8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.862 -2.842 -10.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.784 -1.172 -10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.624 -2.211 -11.105 1.00 0.00 H new ATOM 331 N VAL A 28 0.629 1.244 -7.615 1.00 0.00 N ATOM 332 CA VAL A 28 1.184 2.593 -7.319 1.00 0.00 C ATOM 333 C VAL A 28 2.718 2.570 -7.374 1.00 0.00 C ATOM 334 O VAL A 28 3.365 3.545 -7.049 1.00 0.00 O ATOM 335 CB VAL A 28 0.734 3.016 -5.926 1.00 0.00 C ATOM 336 CG1 VAL A 28 -0.762 3.338 -5.945 1.00 0.00 C ATOM 337 CG2 VAL A 28 0.994 1.869 -4.952 1.00 0.00 C ATOM 0 H VAL A 28 0.901 0.511 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 28 0.821 3.300 -8.065 1.00 0.00 H new ATOM 0 HB VAL A 28 1.288 3.901 -5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.082 3.640 -4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.951 4.149 -6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.321 2.454 -6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.675 2.162 -3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.434 0.989 -5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.059 1.636 -4.940 1.00 0.00 H new ATOM 347 N LYS A 29 3.316 1.475 -7.784 1.00 0.00 N ATOM 348 CA LYS A 29 4.802 1.440 -7.849 1.00 0.00 C ATOM 349 C LYS A 29 5.338 2.628 -8.671 1.00 0.00 C ATOM 350 O LYS A 29 6.357 3.181 -8.310 1.00 0.00 O ATOM 351 CB LYS A 29 5.295 0.089 -8.414 1.00 0.00 C ATOM 352 CG LYS A 29 5.326 0.089 -9.947 1.00 0.00 C ATOM 353 CD LYS A 29 6.405 -0.878 -10.438 1.00 0.00 C ATOM 354 CE LYS A 29 5.751 -1.990 -11.262 1.00 0.00 C ATOM 355 NZ LYS A 29 6.802 -2.753 -11.994 1.00 0.00 N ATOM 0 H LYS A 29 2.842 0.619 -8.071 1.00 0.00 H new ATOM 0 HA LYS A 29 5.195 1.534 -6.837 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.293 -0.123 -8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.643 -0.711 -8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.353 -0.205 -10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.529 1.094 -10.317 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.139 -0.345 -11.043 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.940 -1.305 -9.590 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.190 -2.659 -10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.039 -1.563 -11.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.357 -3.508 -12.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.319 -2.111 -12.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.465 -3.173 -11.312 1.00 0.00 H new ATOM 369 N PRO A 30 4.653 3.027 -9.735 1.00 0.00 N ATOM 370 CA PRO A 30 5.105 4.177 -10.536 1.00 0.00 C ATOM 371 C PRO A 30 4.697 5.456 -9.813 1.00 0.00 C ATOM 372 O PRO A 30 5.425 6.429 -9.778 1.00 0.00 O ATOM 373 CB PRO A 30 4.364 4.021 -11.864 1.00 0.00 C ATOM 374 CG PRO A 30 3.123 3.147 -11.570 1.00 0.00 C ATOM 375 CD PRO A 30 3.398 2.410 -10.245 1.00 0.00 C ATOM 0 HA PRO A 30 6.183 4.222 -10.688 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.070 4.992 -12.261 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.002 3.551 -12.612 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.227 3.763 -11.491 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.951 2.437 -12.378 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.576 2.539 -9.540 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.517 1.338 -10.403 1.00 0.00 H new ATOM 383 N GLN A 31 3.544 5.443 -9.199 1.00 0.00 N ATOM 384 CA GLN A 31 3.092 6.634 -8.434 1.00 0.00 C ATOM 385 C GLN A 31 3.900 6.702 -7.135 1.00 0.00 C ATOM 386 O GLN A 31 3.759 7.618 -6.352 1.00 0.00 O ATOM 387 CB GLN A 31 1.605 6.499 -8.097 1.00 0.00 C ATOM 388 CG GLN A 31 0.775 6.676 -9.370 1.00 0.00 C ATOM 389 CD GLN A 31 -0.096 5.437 -9.589 1.00 0.00 C ATOM 390 OE1 GLN A 31 0.023 4.768 -10.597 1.00 0.00 O ATOM 391 NE2 GLN A 31 -0.972 5.102 -8.684 1.00 0.00 N ATOM 0 H GLN A 31 2.896 4.655 -9.196 1.00 0.00 H new ATOM 0 HA GLN A 31 3.241 7.537 -9.026 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.409 5.522 -7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 31 1.320 7.247 -7.357 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.148 7.564 -9.287 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.432 6.828 -10.227 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.072 5.663 -7.838 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.558 4.278 -8.821 1.00 0.00 H new ATOM 400 N LEU A 32 4.744 5.729 -6.902 1.00 0.00 N ATOM 401 CA LEU A 32 5.562 5.722 -5.662 1.00 0.00 C ATOM 402 C LEU A 32 6.905 6.402 -5.929 1.00 0.00 C ATOM 403 O LEU A 32 7.415 7.141 -5.113 1.00 0.00 O ATOM 404 CB LEU A 32 5.814 4.285 -5.238 1.00 0.00 C ATOM 405 CG LEU A 32 4.593 3.770 -4.492 1.00 0.00 C ATOM 406 CD1 LEU A 32 4.522 2.264 -4.642 1.00 0.00 C ATOM 407 CD2 LEU A 32 4.708 4.122 -3.010 1.00 0.00 C ATOM 0 H LEU A 32 4.899 4.936 -7.525 1.00 0.00 H new ATOM 0 HA LEU A 32 5.030 6.257 -4.875 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.012 3.664 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.696 4.229 -4.601 1.00 0.00 H new ATOM 0 HG LEU A 32 3.694 4.229 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.649 1.886 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.443 2.007 -5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.423 1.814 -4.226 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.831 3.751 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.605 3.662 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.770 5.204 -2.897 1.00 0.00 H new ATOM 419 N GLU A 33 7.488 6.135 -7.066 1.00 0.00 N ATOM 420 CA GLU A 33 8.811 6.735 -7.398 1.00 0.00 C ATOM 421 C GLU A 33 8.703 8.255 -7.540 1.00 0.00 C ATOM 422 O GLU A 33 9.526 8.990 -7.036 1.00 0.00 O ATOM 423 CB GLU A 33 9.314 6.145 -8.718 1.00 0.00 C ATOM 424 CG GLU A 33 9.133 4.626 -8.705 1.00 0.00 C ATOM 425 CD GLU A 33 9.960 4.006 -9.833 1.00 0.00 C ATOM 426 OE1 GLU A 33 9.865 4.495 -10.948 1.00 0.00 O ATOM 427 OE2 GLU A 33 10.674 3.055 -9.566 1.00 0.00 O ATOM 0 H GLU A 33 7.101 5.522 -7.784 1.00 0.00 H new ATOM 0 HA GLU A 33 9.506 6.509 -6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.766 6.579 -9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.365 6.395 -8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.447 4.220 -7.743 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.080 4.373 -8.830 1.00 0.00 H new ATOM 434 N GLU A 34 7.718 8.739 -8.246 1.00 0.00 N ATOM 435 CA GLU A 34 7.606 10.217 -8.431 1.00 0.00 C ATOM 436 C GLU A 34 7.101 10.897 -7.154 1.00 0.00 C ATOM 437 O GLU A 34 7.522 11.989 -6.822 1.00 0.00 O ATOM 438 CB GLU A 34 6.642 10.519 -9.580 1.00 0.00 C ATOM 439 CG GLU A 34 7.430 10.648 -10.885 1.00 0.00 C ATOM 440 CD GLU A 34 6.458 10.710 -12.064 1.00 0.00 C ATOM 441 OE1 GLU A 34 5.360 11.208 -11.876 1.00 0.00 O ATOM 442 OE2 GLU A 34 6.828 10.259 -13.136 1.00 0.00 O ATOM 0 H GLU A 34 6.992 8.184 -8.699 1.00 0.00 H new ATOM 0 HA GLU A 34 8.597 10.607 -8.662 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.902 9.724 -9.667 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.097 11.441 -9.379 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.048 11.546 -10.862 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.105 9.800 -11.000 1.00 0.00 H new ATOM 449 N LYS A 35 6.200 10.285 -6.440 1.00 0.00 N ATOM 450 CA LYS A 35 5.681 10.933 -5.200 1.00 0.00 C ATOM 451 C LYS A 35 6.833 11.219 -4.236 1.00 0.00 C ATOM 452 O LYS A 35 6.896 12.270 -3.629 1.00 0.00 O ATOM 453 CB LYS A 35 4.670 10.012 -4.520 1.00 0.00 C ATOM 454 CG LYS A 35 3.447 10.825 -4.093 1.00 0.00 C ATOM 455 CD LYS A 35 2.319 10.620 -5.108 1.00 0.00 C ATOM 456 CE LYS A 35 1.532 11.922 -5.273 1.00 0.00 C ATOM 457 NZ LYS A 35 0.894 12.288 -3.977 1.00 0.00 N ATOM 0 H LYS A 35 5.802 9.371 -6.657 1.00 0.00 H new ATOM 0 HA LYS A 35 5.196 11.871 -5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.371 9.216 -5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.124 9.534 -3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.119 10.515 -3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.704 11.882 -4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.732 10.309 -6.068 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.656 9.823 -4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.196 12.721 -5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.771 11.803 -6.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.214 13.060 -4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.397 11.461 -3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.625 12.599 -3.306 1.00 0.00 H new ATOM 471 N THR A 36 7.744 10.297 -4.078 1.00 0.00 N ATOM 472 CA THR A 36 8.879 10.532 -3.139 1.00 0.00 C ATOM 473 C THR A 36 10.007 11.268 -3.868 1.00 0.00 C ATOM 474 O THR A 36 10.407 12.335 -3.457 1.00 0.00 O ATOM 475 CB THR A 36 9.404 9.193 -2.614 1.00 0.00 C ATOM 476 OG1 THR A 36 10.406 8.699 -3.491 1.00 0.00 O ATOM 477 CG2 THR A 36 8.258 8.182 -2.525 1.00 0.00 C ATOM 0 H THR A 36 7.752 9.396 -4.556 1.00 0.00 H new ATOM 0 HA THR A 36 8.530 11.137 -2.302 1.00 0.00 H new ATOM 0 HB THR A 36 9.829 9.340 -1.621 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.000 8.089 -4.141 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.639 7.232 -2.151 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.493 8.558 -1.846 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.825 8.035 -3.514 1.00 0.00 H new ATOM 485 N ASN A 37 10.496 10.683 -4.945 1.00 0.00 N ATOM 486 CA ASN A 37 11.607 11.283 -5.772 1.00 0.00 C ATOM 487 C ASN A 37 12.688 10.226 -6.031 1.00 0.00 C ATOM 488 O ASN A 37 13.792 10.543 -6.430 1.00 0.00 O ATOM 489 CB ASN A 37 12.267 12.478 -5.074 1.00 0.00 C ATOM 490 CG ASN A 37 12.908 12.020 -3.762 1.00 0.00 C ATOM 491 OD1 ASN A 37 12.751 10.885 -3.360 1.00 0.00 O ATOM 492 ND2 ASN A 37 13.629 12.862 -3.073 1.00 0.00 N ATOM 0 H ASN A 37 10.160 9.786 -5.296 1.00 0.00 H new ATOM 0 HA ASN A 37 11.161 11.627 -6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.022 12.919 -5.724 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.525 13.251 -4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.060 12.567 -2.197 1.00 0.00 H new ATOM 0 HD22 ASN A 37 13.761 13.815 -3.410 1.00 0.00 H new ATOM 499 N GLU A 38 12.388 8.975 -5.810 1.00 0.00 N ATOM 500 CA GLU A 38 13.404 7.910 -6.046 1.00 0.00 C ATOM 501 C GLU A 38 12.757 6.763 -6.819 1.00 0.00 C ATOM 502 O GLU A 38 11.558 6.736 -7.016 1.00 0.00 O ATOM 503 CB GLU A 38 13.919 7.391 -4.702 1.00 0.00 C ATOM 504 CG GLU A 38 12.769 6.736 -3.932 1.00 0.00 C ATOM 505 CD GLU A 38 13.006 6.891 -2.429 1.00 0.00 C ATOM 506 OE1 GLU A 38 12.689 7.946 -1.905 1.00 0.00 O ATOM 507 OE2 GLU A 38 13.497 5.950 -1.827 1.00 0.00 O ATOM 0 H GLU A 38 11.483 8.644 -5.476 1.00 0.00 H new ATOM 0 HA GLU A 38 14.236 8.317 -6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.721 6.670 -4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 38 14.339 8.211 -4.120 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.822 7.197 -4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 38 12.698 5.680 -4.193 1.00 0.00 H new ATOM 514 N THR A 39 13.532 5.812 -7.261 1.00 0.00 N ATOM 515 CA THR A 39 12.945 4.676 -8.018 1.00 0.00 C ATOM 516 C THR A 39 12.950 3.420 -7.146 1.00 0.00 C ATOM 517 O THR A 39 13.990 2.925 -6.759 1.00 0.00 O ATOM 518 CB THR A 39 13.775 4.414 -9.273 1.00 0.00 C ATOM 519 OG1 THR A 39 14.742 5.444 -9.429 1.00 0.00 O ATOM 520 CG2 THR A 39 12.861 4.379 -10.499 1.00 0.00 C ATOM 0 H THR A 39 14.543 5.774 -7.130 1.00 0.00 H new ATOM 0 HA THR A 39 11.921 4.924 -8.298 1.00 0.00 H new ATOM 0 HB THR A 39 14.281 3.454 -9.175 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.275 5.273 -10.234 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.457 4.192 -11.392 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.125 3.584 -10.381 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.349 5.336 -10.599 1.00 0.00 H new ATOM 528 N TYR A 40 11.797 2.890 -6.849 1.00 0.00 N ATOM 529 CA TYR A 40 11.736 1.655 -6.019 1.00 0.00 C ATOM 530 C TYR A 40 11.702 0.442 -6.951 1.00 0.00 C ATOM 531 O TYR A 40 11.702 0.578 -8.159 1.00 0.00 O ATOM 532 CB TYR A 40 10.472 1.667 -5.151 1.00 0.00 C ATOM 533 CG TYR A 40 10.409 2.941 -4.339 1.00 0.00 C ATOM 534 CD1 TYR A 40 9.792 4.078 -4.873 1.00 0.00 C ATOM 535 CD2 TYR A 40 10.956 2.984 -3.048 1.00 0.00 C ATOM 536 CE1 TYR A 40 9.721 5.257 -4.122 1.00 0.00 C ATOM 537 CE2 TYR A 40 10.886 4.164 -2.297 1.00 0.00 C ATOM 538 CZ TYR A 40 10.269 5.300 -2.834 1.00 0.00 C ATOM 539 OH TYR A 40 10.200 6.463 -2.093 1.00 0.00 O ATOM 0 H TYR A 40 10.893 3.259 -7.145 1.00 0.00 H new ATOM 0 HA TYR A 40 12.609 1.607 -5.368 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.587 1.585 -5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 40 10.470 0.803 -4.487 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.370 4.046 -5.867 1.00 0.00 H new ATOM 0 HD2 TYR A 40 11.431 2.107 -2.633 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.244 6.133 -4.536 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.308 4.198 -1.303 1.00 0.00 H new ATOM 0 HH TYR A 40 10.549 7.210 -2.623 1.00 0.00 H new ATOM 549 N GLY A 43 11.672 -0.741 -6.407 1.00 0.00 N ATOM 550 CA GLY A 43 11.636 -1.956 -7.273 1.00 0.00 C ATOM 551 C GLY A 43 10.451 -2.834 -6.868 1.00 0.00 C ATOM 552 O GLY A 43 9.499 -2.366 -6.278 1.00 0.00 O ATOM 0 H GLY A 43 11.671 -0.922 -5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.547 -1.667 -8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.567 -2.514 -7.174 1.00 0.00 H new ATOM 556 N LYS A 44 10.505 -4.104 -7.178 1.00 0.00 N ATOM 557 CA LYS A 44 9.386 -5.017 -6.807 1.00 0.00 C ATOM 558 C LYS A 44 8.917 -4.685 -5.397 1.00 0.00 C ATOM 559 O LYS A 44 9.695 -4.675 -4.464 1.00 0.00 O ATOM 560 CB LYS A 44 9.877 -6.464 -6.835 1.00 0.00 C ATOM 561 CG LYS A 44 8.675 -7.408 -6.932 1.00 0.00 C ATOM 562 CD LYS A 44 8.985 -8.538 -7.914 1.00 0.00 C ATOM 563 CE LYS A 44 8.375 -9.844 -7.399 1.00 0.00 C ATOM 564 NZ LYS A 44 9.308 -10.972 -7.680 1.00 0.00 N ATOM 0 H LYS A 44 11.278 -4.548 -7.673 1.00 0.00 H new ATOM 0 HA LYS A 44 8.566 -4.892 -7.514 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.543 -6.617 -7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.453 -6.682 -5.935 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.444 -7.820 -5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.794 -6.858 -7.262 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.582 -8.299 -8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.063 -8.648 -8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.186 -9.772 -6.328 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.414 -10.024 -7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.894 -11.860 -7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.467 -11.044 -8.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.215 -10.800 -7.201 1.00 0.00 H new ATOM 578 N LEU A 45 7.657 -4.415 -5.220 1.00 0.00 N ATOM 579 CA LEU A 45 7.170 -4.095 -3.868 1.00 0.00 C ATOM 580 C LEU A 45 6.574 -5.365 -3.267 1.00 0.00 C ATOM 581 O LEU A 45 5.379 -5.557 -3.236 1.00 0.00 O ATOM 582 CB LEU A 45 6.151 -2.974 -4.001 1.00 0.00 C ATOM 583 CG LEU A 45 6.790 -1.895 -4.886 1.00 0.00 C ATOM 584 CD1 LEU A 45 5.879 -0.665 -5.010 1.00 0.00 C ATOM 585 CD2 LEU A 45 8.135 -1.497 -4.264 1.00 0.00 C ATOM 0 H LEU A 45 6.950 -4.404 -5.955 1.00 0.00 H new ATOM 0 HA LEU A 45 7.964 -3.755 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.227 -3.342 -4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.893 -2.568 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 45 6.938 -2.293 -5.890 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.359 0.081 -5.643 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.928 -0.960 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.702 -0.242 -4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.607 -0.730 -4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.970 -1.107 -3.260 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.785 -2.371 -4.212 1.00 0.00 H new ATOM 597 N GLU A 46 7.434 -6.246 -2.821 1.00 0.00 N ATOM 598 CA GLU A 46 6.984 -7.555 -2.248 1.00 0.00 C ATOM 599 C GLU A 46 6.075 -7.337 -1.044 1.00 0.00 C ATOM 600 O GLU A 46 6.506 -7.404 0.087 1.00 0.00 O ATOM 601 CB GLU A 46 8.213 -8.353 -1.807 1.00 0.00 C ATOM 602 CG GLU A 46 8.208 -9.723 -2.486 1.00 0.00 C ATOM 603 CD GLU A 46 9.614 -10.043 -2.999 1.00 0.00 C ATOM 604 OE1 GLU A 46 10.432 -9.138 -3.035 1.00 0.00 O ATOM 605 OE2 GLU A 46 9.850 -11.189 -3.347 1.00 0.00 O ATOM 0 H GLU A 46 8.445 -6.113 -2.829 1.00 0.00 H new ATOM 0 HA GLU A 46 6.427 -8.099 -3.011 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.123 -7.811 -2.066 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.211 -8.473 -0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.883 -10.489 -1.782 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.498 -9.729 -3.313 1.00 0.00 H new ATOM 612 N ALA A 47 4.817 -7.097 -1.271 1.00 0.00 N ATOM 613 CA ALA A 47 3.895 -6.884 -0.128 1.00 0.00 C ATOM 614 C ALA A 47 4.144 -7.951 0.932 1.00 0.00 C ATOM 615 O ALA A 47 4.463 -9.088 0.642 1.00 0.00 O ATOM 616 CB ALA A 47 2.454 -6.933 -0.617 1.00 0.00 C ATOM 0 H ALA A 47 4.389 -7.039 -2.195 1.00 0.00 H new ATOM 0 HA ALA A 47 4.076 -5.905 0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.779 -6.776 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.295 -6.152 -1.360 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.255 -7.906 -1.066 1.00 0.00 H new ATOM 622 N VAL A 48 4.019 -7.564 2.161 1.00 0.00 N ATOM 623 CA VAL A 48 4.260 -8.489 3.293 1.00 0.00 C ATOM 624 C VAL A 48 3.023 -8.478 4.178 1.00 0.00 C ATOM 625 O VAL A 48 2.566 -9.498 4.654 1.00 0.00 O ATOM 626 CB VAL A 48 5.479 -7.966 4.068 1.00 0.00 C ATOM 627 CG1 VAL A 48 5.324 -8.213 5.574 1.00 0.00 C ATOM 628 CG2 VAL A 48 6.736 -8.669 3.565 1.00 0.00 C ATOM 0 H VAL A 48 3.752 -6.619 2.437 1.00 0.00 H new ATOM 0 HA VAL A 48 4.451 -9.508 2.955 1.00 0.00 H new ATOM 0 HB VAL A 48 5.558 -6.891 3.903 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.201 -7.833 6.097 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.434 -7.699 5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.227 -9.283 5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.603 -8.300 4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.639 -9.743 3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.866 -8.466 2.502 1.00 0.00 H new ATOM 638 N GLN A 49 2.486 -7.318 4.396 1.00 0.00 N ATOM 639 CA GLN A 49 1.270 -7.211 5.251 1.00 0.00 C ATOM 640 C GLN A 49 0.443 -6.020 4.789 1.00 0.00 C ATOM 641 O GLN A 49 0.906 -5.200 4.025 1.00 0.00 O ATOM 642 CB GLN A 49 1.685 -7.005 6.710 1.00 0.00 C ATOM 643 CG GLN A 49 1.517 -8.317 7.480 1.00 0.00 C ATOM 644 CD GLN A 49 2.071 -8.151 8.897 1.00 0.00 C ATOM 645 OE1 GLN A 49 2.248 -7.045 9.367 1.00 0.00 O ATOM 646 NE2 GLN A 49 2.356 -9.211 9.603 1.00 0.00 N ATOM 0 H GLN A 49 2.833 -6.435 4.021 1.00 0.00 H new ATOM 0 HA GLN A 49 0.682 -8.125 5.169 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.722 -6.672 6.761 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.076 -6.224 7.165 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.464 -8.595 7.520 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.040 -9.123 6.965 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.208 -10.141 9.210 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.727 -9.110 10.548 1.00 0.00 H new ATOM 655 N TYR A 50 -0.778 -5.905 5.232 1.00 0.00 N ATOM 656 CA TYR A 50 -1.584 -4.751 4.795 1.00 0.00 C ATOM 657 C TYR A 50 -2.798 -4.549 5.690 1.00 0.00 C ATOM 658 O TYR A 50 -3.484 -5.480 6.075 1.00 0.00 O ATOM 659 CB TYR A 50 -2.012 -4.950 3.360 1.00 0.00 C ATOM 660 CG TYR A 50 -3.355 -5.641 3.241 1.00 0.00 C ATOM 661 CD1 TYR A 50 -3.449 -7.031 3.374 1.00 0.00 C ATOM 662 CD2 TYR A 50 -4.502 -4.886 2.966 1.00 0.00 C ATOM 663 CE1 TYR A 50 -4.689 -7.665 3.230 1.00 0.00 C ATOM 664 CE2 TYR A 50 -5.743 -5.521 2.828 1.00 0.00 C ATOM 665 CZ TYR A 50 -5.836 -6.911 2.959 1.00 0.00 C ATOM 666 OH TYR A 50 -7.058 -7.537 2.817 1.00 0.00 O ATOM 0 H TYR A 50 -1.240 -6.554 5.868 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.971 -3.853 4.870 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.061 -3.982 2.862 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.257 -5.539 2.838 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.566 -7.614 3.588 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.430 -3.814 2.860 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.760 -8.738 3.328 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.628 -4.938 2.621 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.749 -6.867 2.633 1.00 0.00 H new ATOM 676 N LYS A 51 -3.060 -3.323 6.002 1.00 0.00 N ATOM 677 CA LYS A 51 -4.236 -2.987 6.857 1.00 0.00 C ATOM 678 C LYS A 51 -5.256 -2.198 6.014 1.00 0.00 C ATOM 679 O LYS A 51 -4.907 -1.271 5.312 1.00 0.00 O ATOM 680 CB LYS A 51 -3.777 -2.151 8.054 1.00 0.00 C ATOM 681 CG LYS A 51 -2.848 -2.993 8.936 1.00 0.00 C ATOM 682 CD LYS A 51 -2.821 -2.418 10.354 1.00 0.00 C ATOM 683 CE LYS A 51 -1.748 -3.138 11.177 1.00 0.00 C ATOM 684 NZ LYS A 51 -2.342 -3.617 12.458 1.00 0.00 N ATOM 0 H LYS A 51 -2.506 -2.521 5.701 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.703 -3.900 7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.258 -1.257 7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.640 -1.817 8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.192 -4.027 8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.842 -3.001 8.517 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.612 -1.349 10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.797 -2.537 10.825 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.346 -3.980 10.613 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.916 -2.463 11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.614 -4.106 13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.705 -2.805 12.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.122 -4.275 12.255 1.00 0.00 H new ATOM 698 N THR A 52 -6.509 -2.578 6.063 1.00 0.00 N ATOM 699 CA THR A 52 -7.553 -1.873 5.249 1.00 0.00 C ATOM 700 C THR A 52 -8.007 -0.585 5.942 1.00 0.00 C ATOM 701 O THR A 52 -7.461 -0.172 6.945 1.00 0.00 O ATOM 702 CB THR A 52 -8.759 -2.800 5.072 1.00 0.00 C ATOM 703 OG1 THR A 52 -8.995 -3.505 6.282 1.00 0.00 O ATOM 704 CG2 THR A 52 -8.478 -3.795 3.946 1.00 0.00 C ATOM 0 H THR A 52 -6.857 -3.349 6.633 1.00 0.00 H new ATOM 0 HA THR A 52 -7.126 -1.615 4.280 1.00 0.00 H new ATOM 0 HB THR A 52 -9.639 -2.208 4.820 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.768 -4.097 6.170 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.337 -4.455 3.821 1.00 0.00 H new ATOM 0 HG22 THR A 52 -8.298 -3.253 3.018 1.00 0.00 H new ATOM 0 HG23 THR A 52 -7.598 -4.388 4.196 1.00 0.00 H new ATOM 712 N GLN A 53 -9.006 0.053 5.392 1.00 0.00 N ATOM 713 CA GLN A 53 -9.519 1.326 5.980 1.00 0.00 C ATOM 714 C GLN A 53 -10.896 1.632 5.387 1.00 0.00 C ATOM 715 O GLN A 53 -11.223 1.185 4.307 1.00 0.00 O ATOM 716 CB GLN A 53 -8.573 2.466 5.607 1.00 0.00 C ATOM 717 CG GLN A 53 -7.951 3.077 6.858 1.00 0.00 C ATOM 718 CD GLN A 53 -9.051 3.420 7.862 1.00 0.00 C ATOM 719 OE1 GLN A 53 -9.947 4.184 7.560 1.00 0.00 O ATOM 720 NE2 GLN A 53 -9.024 2.883 9.050 1.00 0.00 N ATOM 0 H GLN A 53 -9.494 -0.257 4.551 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.585 1.227 7.063 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.788 2.094 4.948 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.117 3.231 5.054 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.243 2.378 7.303 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.390 3.975 6.597 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.272 2.242 9.303 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.755 3.104 9.726 1.00 0.00 H new ATOM 729 N VAL A 54 -11.708 2.390 6.074 1.00 0.00 N ATOM 730 CA VAL A 54 -13.049 2.711 5.525 1.00 0.00 C ATOM 731 C VAL A 54 -13.268 4.232 5.477 1.00 0.00 C ATOM 732 O VAL A 54 -12.881 4.960 6.369 1.00 0.00 O ATOM 733 CB VAL A 54 -14.110 2.043 6.389 1.00 0.00 C ATOM 734 CG1 VAL A 54 -14.515 2.965 7.532 1.00 0.00 C ATOM 735 CG2 VAL A 54 -15.333 1.728 5.523 1.00 0.00 C ATOM 0 H VAL A 54 -11.499 2.797 6.986 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.121 2.335 4.505 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.706 1.122 6.809 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.274 2.476 8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.643 3.187 8.147 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.918 3.893 7.126 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.098 1.249 6.134 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.730 2.653 5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.043 1.058 4.714 1.00 0.00 H new ATOM 745 N VAL A 55 -13.903 4.703 4.440 1.00 0.00 N ATOM 746 CA VAL A 55 -14.182 6.165 4.304 1.00 0.00 C ATOM 747 C VAL A 55 -15.142 6.346 3.122 1.00 0.00 C ATOM 748 O VAL A 55 -16.319 6.065 3.223 1.00 0.00 O ATOM 749 CB VAL A 55 -12.875 6.929 4.046 1.00 0.00 C ATOM 750 CG1 VAL A 55 -12.264 7.384 5.373 1.00 0.00 C ATOM 751 CG2 VAL A 55 -11.876 6.019 3.328 1.00 0.00 C ATOM 0 H VAL A 55 -14.246 4.131 3.669 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.626 6.556 5.219 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.095 7.799 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.337 7.925 5.180 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.965 8.038 5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.053 6.513 5.994 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.951 6.566 3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.667 5.147 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.298 5.695 2.377 1.00 0.00 H new ATOM 761 N ALA A 56 -14.646 6.767 1.990 1.00 0.00 N ATOM 762 CA ALA A 56 -15.525 6.907 0.799 1.00 0.00 C ATOM 763 C ALA A 56 -15.269 5.689 -0.080 1.00 0.00 C ATOM 764 O ALA A 56 -15.373 5.728 -1.290 1.00 0.00 O ATOM 765 CB ALA A 56 -15.162 8.182 0.043 1.00 0.00 C ATOM 0 H ALA A 56 -13.669 7.020 1.841 1.00 0.00 H new ATOM 0 HA ALA A 56 -16.575 6.968 1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -15.807 8.284 -0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -15.298 9.044 0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.122 8.131 -0.279 1.00 0.00 H new ATOM 771 N GLY A 57 -14.901 4.614 0.552 1.00 0.00 N ATOM 772 CA GLY A 57 -14.582 3.354 -0.168 1.00 0.00 C ATOM 773 C GLY A 57 -13.744 2.506 0.772 1.00 0.00 C ATOM 774 O GLY A 57 -14.234 1.939 1.729 1.00 0.00 O ATOM 0 H GLY A 57 -14.805 4.555 1.566 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.495 2.829 -0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.037 3.563 -1.088 1.00 0.00 H new ATOM 778 N THR A 58 -12.479 2.452 0.527 1.00 0.00 N ATOM 779 CA THR A 58 -11.576 1.681 1.424 1.00 0.00 C ATOM 780 C THR A 58 -10.123 1.998 1.089 1.00 0.00 C ATOM 781 O THR A 58 -9.624 1.633 0.042 1.00 0.00 O ATOM 782 CB THR A 58 -11.806 0.178 1.259 1.00 0.00 C ATOM 783 OG1 THR A 58 -13.200 -0.096 1.272 1.00 0.00 O ATOM 784 CG2 THR A 58 -11.117 -0.561 2.413 1.00 0.00 C ATOM 0 H THR A 58 -12.020 2.910 -0.260 1.00 0.00 H new ATOM 0 HA THR A 58 -11.793 1.965 2.454 1.00 0.00 H new ATOM 0 HB THR A 58 -11.389 -0.158 0.310 1.00 0.00 H new ATOM 0 HG1 THR A 58 -13.642 0.487 1.925 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.275 -1.634 2.304 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.048 -0.348 2.395 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.537 -0.227 3.362 1.00 0.00 H new ATOM 792 N ASN A 59 -9.430 2.653 1.977 1.00 0.00 N ATOM 793 CA ASN A 59 -8.016 2.963 1.726 1.00 0.00 C ATOM 794 C ASN A 59 -7.227 1.670 1.824 1.00 0.00 C ATOM 795 O ASN A 59 -7.778 0.588 1.860 1.00 0.00 O ATOM 796 CB ASN A 59 -7.539 3.917 2.811 1.00 0.00 C ATOM 797 CG ASN A 59 -7.901 5.358 2.460 1.00 0.00 C ATOM 798 OD1 ASN A 59 -7.458 5.885 1.460 1.00 0.00 O ATOM 799 ND2 ASN A 59 -8.685 6.024 3.266 1.00 0.00 N ATOM 0 H ASN A 59 -9.795 2.985 2.870 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.882 3.415 0.743 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.991 3.645 3.765 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -6.459 3.827 2.932 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.928 6.992 3.056 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.054 5.576 4.105 1.00 0.00 H new ATOM 806 N TYR A 60 -5.945 1.776 1.897 1.00 0.00 N ATOM 807 CA TYR A 60 -5.105 0.558 2.028 1.00 0.00 C ATOM 808 C TYR A 60 -3.844 0.911 2.795 1.00 0.00 C ATOM 809 O TYR A 60 -3.376 2.024 2.763 1.00 0.00 O ATOM 810 CB TYR A 60 -4.682 0.018 0.655 1.00 0.00 C ATOM 811 CG TYR A 60 -5.883 -0.384 -0.158 1.00 0.00 C ATOM 812 CD1 TYR A 60 -6.717 0.594 -0.701 1.00 0.00 C ATOM 813 CD2 TYR A 60 -6.151 -1.738 -0.385 1.00 0.00 C ATOM 814 CE1 TYR A 60 -7.820 0.225 -1.471 1.00 0.00 C ATOM 815 CE2 TYR A 60 -7.259 -2.112 -1.156 1.00 0.00 C ATOM 816 CZ TYR A 60 -8.094 -1.129 -1.699 1.00 0.00 C ATOM 817 OH TYR A 60 -9.186 -1.495 -2.460 1.00 0.00 O ATOM 0 H TYR A 60 -5.431 2.657 1.872 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.691 -0.201 2.545 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.114 0.779 0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.022 -0.840 0.785 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.508 1.639 -0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.504 -2.495 0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.463 0.984 -1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -7.468 -3.157 -1.331 1.00 0.00 H new ATOM 0 HH TYR A 60 -9.230 -2.472 -2.520 1.00 0.00 H new ATOM 827 N TYR A 61 -3.275 -0.057 3.430 1.00 0.00 N ATOM 828 CA TYR A 61 -2.004 0.136 4.168 1.00 0.00 C ATOM 829 C TYR A 61 -1.213 -1.112 3.854 1.00 0.00 C ATOM 830 O TYR A 61 -1.760 -2.192 3.848 1.00 0.00 O ATOM 831 CB TYR A 61 -2.260 0.246 5.677 1.00 0.00 C ATOM 832 CG TYR A 61 -3.100 1.467 5.975 1.00 0.00 C ATOM 833 CD1 TYR A 61 -2.937 2.632 5.215 1.00 0.00 C ATOM 834 CD2 TYR A 61 -4.038 1.437 7.016 1.00 0.00 C ATOM 835 CE1 TYR A 61 -3.713 3.764 5.493 1.00 0.00 C ATOM 836 CE2 TYR A 61 -4.813 2.570 7.293 1.00 0.00 C ATOM 837 CZ TYR A 61 -4.650 3.734 6.530 1.00 0.00 C ATOM 838 OH TYR A 61 -5.414 4.851 6.804 1.00 0.00 O ATOM 0 H TYR A 61 -3.646 -1.006 3.472 1.00 0.00 H new ATOM 0 HA TYR A 61 -1.486 1.051 3.881 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.768 -0.650 6.034 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -1.312 0.309 6.211 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.213 2.657 4.414 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -4.163 0.540 7.605 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.587 4.661 4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -5.536 2.547 8.095 1.00 0.00 H new ATOM 0 HH TYR A 61 -5.819 5.182 5.975 1.00 0.00 H new ATOM 848 N ILE A 62 0.028 -1.019 3.510 1.00 0.00 N ATOM 849 CA ILE A 62 0.709 -2.275 3.134 1.00 0.00 C ATOM 850 C ILE A 62 2.200 -2.208 3.415 1.00 0.00 C ATOM 851 O ILE A 62 2.924 -1.447 2.802 1.00 0.00 O ATOM 852 CB ILE A 62 0.540 -2.519 1.629 1.00 0.00 C ATOM 853 CG1 ILE A 62 -0.931 -2.437 1.188 1.00 0.00 C ATOM 854 CG2 ILE A 62 1.071 -3.912 1.305 1.00 0.00 C ATOM 855 CD1 ILE A 62 -1.004 -1.959 -0.269 1.00 0.00 C ATOM 0 H ILE A 62 0.585 -0.165 3.472 1.00 0.00 H new ATOM 0 HA ILE A 62 0.262 -3.075 3.724 1.00 0.00 H new ATOM 0 HB ILE A 62 1.091 -1.744 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.406 -3.413 1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.478 -1.751 1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.960 -4.105 0.238 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.125 -3.972 1.576 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.508 -4.656 1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.047 -1.901 -0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.545 -0.974 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.472 -2.662 -0.910 1.00 0.00 H new ATOM 867 N LYS A 63 2.684 -3.053 4.273 1.00 0.00 N ATOM 868 CA LYS A 63 4.139 -3.082 4.501 1.00 0.00 C ATOM 869 C LYS A 63 4.696 -3.853 3.317 1.00 0.00 C ATOM 870 O LYS A 63 4.628 -5.065 3.272 1.00 0.00 O ATOM 871 CB LYS A 63 4.448 -3.801 5.817 1.00 0.00 C ATOM 872 CG LYS A 63 5.927 -4.185 5.874 1.00 0.00 C ATOM 873 CD LYS A 63 6.662 -3.224 6.806 1.00 0.00 C ATOM 874 CE LYS A 63 7.518 -4.022 7.788 1.00 0.00 C ATOM 875 NZ LYS A 63 6.902 -3.971 9.144 1.00 0.00 N ATOM 0 H LYS A 63 2.137 -3.718 4.820 1.00 0.00 H new ATOM 0 HA LYS A 63 4.575 -2.086 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.200 -3.156 6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.829 -4.694 5.906 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.035 -5.209 6.230 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.363 -4.147 4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.290 -2.547 6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.945 -2.608 7.349 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.603 -5.056 7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.528 -3.614 7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.013 -4.894 9.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.372 -3.237 9.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.890 -3.746 9.057 1.00 0.00 H new ATOM 889 N VAL A 64 5.188 -3.152 2.331 1.00 0.00 N ATOM 890 CA VAL A 64 5.686 -3.832 1.107 1.00 0.00 C ATOM 891 C VAL A 64 7.199 -3.756 1.040 1.00 0.00 C ATOM 892 O VAL A 64 7.784 -2.706 1.195 1.00 0.00 O ATOM 893 CB VAL A 64 5.122 -3.142 -0.136 1.00 0.00 C ATOM 894 CG1 VAL A 64 4.645 -4.193 -1.137 1.00 0.00 C ATOM 895 CG2 VAL A 64 3.952 -2.222 0.235 1.00 0.00 C ATOM 0 H VAL A 64 5.265 -2.135 2.323 1.00 0.00 H new ATOM 0 HA VAL A 64 5.367 -4.874 1.143 1.00 0.00 H new ATOM 0 HB VAL A 64 5.912 -2.539 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.244 -3.698 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.483 -4.828 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.867 -4.805 -0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.567 -1.742 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.160 -2.810 0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.296 -1.460 0.934 1.00 0.00 H new ATOM 905 N ARG A 65 7.845 -4.849 0.771 1.00 0.00 N ATOM 906 CA ARG A 65 9.318 -4.795 0.654 1.00 0.00 C ATOM 907 C ARG A 65 9.640 -3.963 -0.557 1.00 0.00 C ATOM 908 O ARG A 65 8.993 -4.049 -1.580 1.00 0.00 O ATOM 909 CB ARG A 65 9.907 -6.185 0.485 1.00 0.00 C ATOM 910 CG ARG A 65 11.429 -6.085 0.371 1.00 0.00 C ATOM 911 CD ARG A 65 12.070 -7.279 1.084 1.00 0.00 C ATOM 912 NE ARG A 65 11.762 -8.528 0.332 1.00 0.00 N ATOM 913 CZ ARG A 65 12.674 -9.454 0.208 1.00 0.00 C ATOM 914 NH1 ARG A 65 13.591 -9.347 -0.714 1.00 0.00 N ATOM 915 NH2 ARG A 65 12.668 -10.487 1.006 1.00 0.00 N ATOM 0 H ARG A 65 7.422 -5.766 0.629 1.00 0.00 H new ATOM 0 HA ARG A 65 9.745 -4.364 1.560 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.636 -6.812 1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.496 -6.660 -0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.726 -6.071 -0.678 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.778 -5.152 0.814 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.149 -7.139 1.153 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.693 -7.353 2.104 1.00 0.00 H new ATOM 0 HE ARG A 65 10.840 -8.659 -0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.595 -8.540 -1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.304 -10.070 -0.811 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.951 -10.571 1.726 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.380 -11.210 0.909 1.00 0.00 H new ATOM 929 N ALA A 66 10.626 -3.151 -0.424 1.00 0.00 N ATOM 930 CA ALA A 66 11.032 -2.249 -1.532 1.00 0.00 C ATOM 931 C ALA A 66 11.981 -2.987 -2.462 1.00 0.00 C ATOM 932 O ALA A 66 12.989 -2.466 -2.897 1.00 0.00 O ATOM 933 CB ALA A 66 11.726 -1.031 -0.944 1.00 0.00 C ATOM 0 H ALA A 66 11.188 -3.065 0.423 1.00 0.00 H new ATOM 0 HA ALA A 66 10.155 -1.932 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 66 12.029 -0.361 -1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 66 11.041 -0.509 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.607 -1.348 -0.385 1.00 0.00 H new ATOM 939 N GLY A 67 11.649 -4.196 -2.764 1.00 0.00 N ATOM 940 CA GLY A 67 12.502 -5.016 -3.672 1.00 0.00 C ATOM 941 C GLY A 67 13.780 -5.447 -2.946 1.00 0.00 C ATOM 942 O GLY A 67 13.891 -6.562 -2.480 1.00 0.00 O ATOM 0 H GLY A 67 10.812 -4.667 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.951 -5.895 -4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.756 -4.441 -4.562 1.00 0.00 H new ATOM 946 N ASP A 68 14.752 -4.576 -2.868 1.00 0.00 N ATOM 947 CA ASP A 68 16.031 -4.926 -2.195 1.00 0.00 C ATOM 948 C ASP A 68 15.763 -5.448 -0.772 1.00 0.00 C ATOM 949 O ASP A 68 15.210 -6.514 -0.593 1.00 0.00 O ATOM 950 CB ASP A 68 16.927 -3.684 -2.144 1.00 0.00 C ATOM 951 CG ASP A 68 17.448 -3.366 -3.549 1.00 0.00 C ATOM 952 OD1 ASP A 68 16.630 -3.196 -4.438 1.00 0.00 O ATOM 953 OD2 ASP A 68 18.655 -3.296 -3.711 1.00 0.00 O ATOM 0 H ASP A 68 14.711 -3.630 -3.246 1.00 0.00 H new ATOM 0 HA ASP A 68 16.532 -5.714 -2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 68 16.366 -2.835 -1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.763 -3.854 -1.465 1.00 0.00 H new ATOM 958 N ASN A 92 16.155 -4.719 0.244 1.00 0.00 N ATOM 959 CA ASN A 92 15.916 -5.198 1.638 1.00 0.00 C ATOM 960 C ASN A 92 15.161 -4.134 2.430 1.00 0.00 C ATOM 961 O ASN A 92 14.514 -4.429 3.416 1.00 0.00 O ATOM 962 CB ASN A 92 17.256 -5.489 2.315 1.00 0.00 C ATOM 963 CG ASN A 92 17.750 -6.874 1.891 1.00 0.00 C ATOM 964 OD1 ASN A 92 17.489 -7.313 0.789 1.00 0.00 O ATOM 965 ND2 ASN A 92 18.457 -7.586 2.725 1.00 0.00 N ATOM 0 H ASN A 92 16.627 -3.818 0.168 1.00 0.00 H new ATOM 0 HA ASN A 92 15.319 -6.110 1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 92 17.988 -4.730 2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 92 17.145 -5.446 3.399 1.00 0.00 H new ATOM 0 HD21 ASN A 92 18.790 -8.510 2.451 1.00 0.00 H new ATOM 0 HD22 ASN A 92 18.677 -7.218 3.651 1.00 0.00 H new ATOM 972 N LYS A 93 15.214 -2.904 2.006 1.00 0.00 N ATOM 973 CA LYS A 93 14.469 -1.852 2.744 1.00 0.00 C ATOM 974 C LYS A 93 12.981 -2.113 2.542 1.00 0.00 C ATOM 975 O LYS A 93 12.603 -3.019 1.830 1.00 0.00 O ATOM 976 CB LYS A 93 14.828 -0.472 2.188 1.00 0.00 C ATOM 977 CG LYS A 93 15.773 0.238 3.157 1.00 0.00 C ATOM 978 CD LYS A 93 17.143 -0.439 3.120 1.00 0.00 C ATOM 979 CE LYS A 93 17.948 0.100 1.937 1.00 0.00 C ATOM 980 NZ LYS A 93 18.487 -1.039 1.143 1.00 0.00 N ATOM 0 H LYS A 93 15.735 -2.585 1.189 1.00 0.00 H new ATOM 0 HA LYS A 93 14.725 -1.876 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.301 -0.574 1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.924 0.120 2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.867 1.289 2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.366 0.205 4.168 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.677 -0.253 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.024 -1.519 3.031 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.316 0.728 1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 93 18.765 0.727 2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.035 -0.673 0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.104 -1.621 1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.700 -1.620 0.790 1.00 0.00 H new ATOM 994 N TYR A 94 12.132 -1.342 3.151 1.00 0.00 N ATOM 995 CA TYR A 94 10.676 -1.576 2.968 1.00 0.00 C ATOM 996 C TYR A 94 9.979 -0.242 2.743 1.00 0.00 C ATOM 997 O TYR A 94 10.590 0.806 2.799 1.00 0.00 O ATOM 998 CB TYR A 94 10.096 -2.248 4.211 1.00 0.00 C ATOM 999 CG TYR A 94 10.478 -3.707 4.224 1.00 0.00 C ATOM 1000 CD1 TYR A 94 11.817 -4.078 4.391 1.00 0.00 C ATOM 1001 CD2 TYR A 94 9.492 -4.690 4.075 1.00 0.00 C ATOM 1002 CE1 TYR A 94 12.170 -5.431 4.411 1.00 0.00 C ATOM 1003 CE2 TYR A 94 9.846 -6.043 4.092 1.00 0.00 C ATOM 1004 CZ TYR A 94 11.185 -6.414 4.262 1.00 0.00 C ATOM 1005 OH TYR A 94 11.535 -7.749 4.280 1.00 0.00 O ATOM 0 H TYR A 94 12.379 -0.565 3.764 1.00 0.00 H new ATOM 0 HA TYR A 94 10.521 -2.225 2.106 1.00 0.00 H new ATOM 0 HB2 TYR A 94 10.469 -1.756 5.110 1.00 0.00 H new ATOM 0 HB3 TYR A 94 9.011 -2.146 4.219 1.00 0.00 H new ATOM 0 HD1 TYR A 94 12.578 -3.320 4.504 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.459 -4.404 3.947 1.00 0.00 H new ATOM 0 HE1 TYR A 94 13.203 -5.717 4.541 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.086 -6.801 3.974 1.00 0.00 H new ATOM 0 HH TYR A 94 10.732 -8.299 4.165 1.00 0.00 H new ATOM 1015 N MET A 95 8.705 -0.271 2.486 1.00 0.00 N ATOM 1016 CA MET A 95 7.973 0.995 2.253 1.00 0.00 C ATOM 1017 C MET A 95 6.490 0.785 2.549 1.00 0.00 C ATOM 1018 O MET A 95 5.816 0.012 1.893 1.00 0.00 O ATOM 1019 CB MET A 95 8.151 1.419 0.795 1.00 0.00 C ATOM 1020 CG MET A 95 7.517 2.793 0.576 1.00 0.00 C ATOM 1021 SD MET A 95 6.640 2.808 -1.006 1.00 0.00 S ATOM 1022 CE MET A 95 5.097 2.068 -0.417 1.00 0.00 C ATOM 0 H MET A 95 8.140 -1.118 2.428 1.00 0.00 H new ATOM 0 HA MET A 95 8.365 1.773 2.908 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.211 1.453 0.543 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.689 0.685 0.134 1.00 0.00 H new ATOM 0 HG2 MET A 95 6.827 3.020 1.389 1.00 0.00 H new ATOM 0 HG3 MET A 95 8.286 3.566 0.585 1.00 0.00 H new ATOM 0 HE1 MET A 95 4.761 1.314 -1.128 1.00 0.00 H new ATOM 0 HE2 MET A 95 5.264 1.602 0.554 1.00 0.00 H new ATOM 0 HE3 MET A 95 4.335 2.842 -0.322 1.00 0.00 H new ATOM 1032 N HIS A 96 5.965 1.481 3.518 1.00 0.00 N ATOM 1033 CA HIS A 96 4.521 1.333 3.826 1.00 0.00 C ATOM 1034 C HIS A 96 3.749 1.938 2.671 1.00 0.00 C ATOM 1035 O HIS A 96 4.210 2.858 2.024 1.00 0.00 O ATOM 1036 CB HIS A 96 4.170 2.082 5.107 1.00 0.00 C ATOM 1037 CG HIS A 96 4.222 1.138 6.263 1.00 0.00 C ATOM 1038 ND1 HIS A 96 4.481 1.557 7.553 1.00 0.00 N ATOM 1039 CD2 HIS A 96 4.087 -0.216 6.326 1.00 0.00 C ATOM 1040 CE1 HIS A 96 4.505 0.465 8.335 1.00 0.00 C ATOM 1041 NE2 HIS A 96 4.279 -0.649 7.633 1.00 0.00 N ATOM 0 H HIS A 96 6.473 2.142 4.106 1.00 0.00 H new ATOM 0 HA HIS A 96 4.273 0.281 3.964 1.00 0.00 H new ATOM 0 HB2 HIS A 96 4.868 2.905 5.263 1.00 0.00 H new ATOM 0 HB3 HIS A 96 3.175 2.519 5.025 1.00 0.00 H new ATOM 0 HD2 HIS A 96 3.864 -0.857 5.486 1.00 0.00 H new ATOM 0 HE1 HIS A 96 4.685 0.485 9.400 1.00 0.00 H new ATOM 0 HE2 HIS A 96 4.253 -1.608 7.980 1.00 0.00 H new ATOM 1049 N LEU A 97 2.602 1.426 2.377 1.00 0.00 N ATOM 1050 CA LEU A 97 1.850 1.982 1.229 1.00 0.00 C ATOM 1051 C LEU A 97 0.416 2.326 1.608 1.00 0.00 C ATOM 1052 O LEU A 97 -0.315 1.511 2.132 1.00 0.00 O ATOM 1053 CB LEU A 97 1.829 0.949 0.122 1.00 0.00 C ATOM 1054 CG LEU A 97 1.213 1.580 -1.110 1.00 0.00 C ATOM 1055 CD1 LEU A 97 2.274 2.431 -1.810 1.00 0.00 C ATOM 1056 CD2 LEU A 97 0.719 0.471 -2.031 1.00 0.00 C ATOM 0 H LEU A 97 2.153 0.656 2.872 1.00 0.00 H new ATOM 0 HA LEU A 97 2.344 2.899 0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.840 0.604 -0.094 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.253 0.076 0.429 1.00 0.00 H new ATOM 0 HG LEU A 97 0.371 2.218 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.843 2.891 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.622 3.209 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.114 1.800 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.273 0.911 -2.923 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.558 -0.163 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.027 -0.129 -1.510 1.00 0.00 H new ATOM 1068 N LYS A 98 0.001 3.525 1.311 1.00 0.00 N ATOM 1069 CA LYS A 98 -1.396 3.924 1.614 1.00 0.00 C ATOM 1070 C LYS A 98 -2.127 4.175 0.286 1.00 0.00 C ATOM 1071 O LYS A 98 -1.874 5.150 -0.389 1.00 0.00 O ATOM 1072 CB LYS A 98 -1.395 5.201 2.461 1.00 0.00 C ATOM 1073 CG LYS A 98 -2.763 5.884 2.375 1.00 0.00 C ATOM 1074 CD LYS A 98 -2.902 6.903 3.507 1.00 0.00 C ATOM 1075 CE LYS A 98 -4.376 7.270 3.684 1.00 0.00 C ATOM 1076 NZ LYS A 98 -4.547 8.053 4.940 1.00 0.00 N ATOM 0 H LYS A 98 0.572 4.246 0.870 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.901 3.136 2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -1.164 4.960 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.617 5.880 2.111 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.873 6.380 1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.557 5.140 2.443 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -2.505 6.489 4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.319 7.796 3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.722 7.853 2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.985 6.366 3.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.550 8.302 5.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.233 7.482 5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -3.978 8.922 4.888 1.00 0.00 H new ATOM 1090 N VAL A 99 -3.022 3.306 -0.104 1.00 0.00 N ATOM 1091 CA VAL A 99 -3.743 3.511 -1.396 1.00 0.00 C ATOM 1092 C VAL A 99 -5.220 3.832 -1.105 1.00 0.00 C ATOM 1093 O VAL A 99 -5.727 3.515 -0.047 1.00 0.00 O ATOM 1094 CB VAL A 99 -3.660 2.207 -2.224 1.00 0.00 C ATOM 1095 CG1 VAL A 99 -4.933 2.031 -3.046 1.00 0.00 C ATOM 1096 CG2 VAL A 99 -2.474 2.239 -3.188 1.00 0.00 C ATOM 0 H VAL A 99 -3.284 2.467 0.413 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.291 4.334 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.536 1.381 -1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.867 1.111 -3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.793 1.978 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.050 2.878 -3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.442 1.309 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.585 3.079 -3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.549 2.351 -2.623 1.00 0.00 H new ATOM 1106 N PHE A 100 -5.932 4.416 -2.045 1.00 0.00 N ATOM 1107 CA PHE A 100 -7.375 4.683 -1.795 1.00 0.00 C ATOM 1108 C PHE A 100 -8.203 4.007 -2.888 1.00 0.00 C ATOM 1109 O PHE A 100 -7.907 4.117 -4.065 1.00 0.00 O ATOM 1110 CB PHE A 100 -7.660 6.185 -1.798 1.00 0.00 C ATOM 1111 CG PHE A 100 -9.148 6.408 -1.657 1.00 0.00 C ATOM 1112 CD1 PHE A 100 -9.969 6.350 -2.789 1.00 0.00 C ATOM 1113 CD2 PHE A 100 -9.707 6.668 -0.400 1.00 0.00 C ATOM 1114 CE1 PHE A 100 -11.348 6.549 -2.665 1.00 0.00 C ATOM 1115 CE2 PHE A 100 -11.087 6.866 -0.276 1.00 0.00 C ATOM 1116 CZ PHE A 100 -11.907 6.808 -1.408 1.00 0.00 C ATOM 0 H PHE A 100 -5.579 4.712 -2.955 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.642 4.284 -0.816 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.128 6.670 -0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.299 6.634 -2.723 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -9.538 6.151 -3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.074 6.716 0.474 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -11.981 6.503 -3.539 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -11.519 7.064 0.694 1.00 0.00 H new ATOM 0 HZ PHE A 100 -12.971 6.963 -1.312 1.00 0.00 H new ATOM 1126 N LYS A 101 -9.242 3.310 -2.511 1.00 0.00 N ATOM 1127 CA LYS A 101 -10.098 2.642 -3.529 1.00 0.00 C ATOM 1128 C LYS A 101 -11.397 3.418 -3.641 1.00 0.00 C ATOM 1129 O LYS A 101 -11.981 3.829 -2.658 1.00 0.00 O ATOM 1130 CB LYS A 101 -10.396 1.200 -3.114 1.00 0.00 C ATOM 1131 CG LYS A 101 -11.622 0.671 -3.868 1.00 0.00 C ATOM 1132 CD LYS A 101 -11.972 -0.725 -3.348 1.00 0.00 C ATOM 1133 CE LYS A 101 -13.291 -1.188 -3.970 1.00 0.00 C ATOM 1134 NZ LYS A 101 -13.026 -2.323 -4.899 1.00 0.00 N ATOM 0 H LYS A 101 -9.533 3.176 -1.543 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.580 2.623 -4.488 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.532 0.569 -3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.573 1.153 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -12.467 1.345 -3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.417 0.632 -4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.175 -1.427 -3.595 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.056 -0.709 -2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -13.986 -1.497 -3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -13.761 -0.365 -4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -13.921 -2.640 -5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.377 -2.013 -5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -12.595 -3.109 -4.372 1.00 0.00 H new ATOM 1257 N LEU A 108 -7.546 2.387 -8.243 1.00 0.00 N ATOM 1258 CA LEU A 108 -7.079 2.821 -6.896 1.00 0.00 C ATOM 1259 C LEU A 108 -6.057 3.923 -7.040 1.00 0.00 C ATOM 1260 O LEU A 108 -5.834 4.462 -8.106 1.00 0.00 O ATOM 1261 CB LEU A 108 -6.450 1.646 -6.154 1.00 0.00 C ATOM 1262 CG LEU A 108 -7.553 0.798 -5.536 1.00 0.00 C ATOM 1263 CD1 LEU A 108 -8.571 0.453 -6.615 1.00 0.00 C ATOM 1264 CD2 LEU A 108 -6.940 -0.488 -4.974 1.00 0.00 C ATOM 0 HA LEU A 108 -7.936 3.187 -6.330 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.853 1.045 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.776 2.009 -5.378 1.00 0.00 H new ATOM 0 HG LEU A 108 -8.044 1.346 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -9.366 -0.155 -6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.995 1.371 -7.022 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.081 -0.104 -7.413 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -7.724 -1.101 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -6.458 -1.043 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.201 -0.237 -4.213 1.00 0.00 H new ATOM 1276 N VAL A 109 -5.480 4.296 -5.953 1.00 0.00 N ATOM 1277 CA VAL A 109 -4.509 5.416 -5.984 1.00 0.00 C ATOM 1278 C VAL A 109 -3.478 5.280 -4.867 1.00 0.00 C ATOM 1279 O VAL A 109 -3.649 4.519 -3.942 1.00 0.00 O ATOM 1280 CB VAL A 109 -5.317 6.663 -5.730 1.00 0.00 C ATOM 1281 CG1 VAL A 109 -5.928 6.542 -4.356 1.00 0.00 C ATOM 1282 CG2 VAL A 109 -4.435 7.907 -5.809 1.00 0.00 C ATOM 0 H VAL A 109 -5.634 3.877 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 109 -3.977 5.434 -6.935 1.00 0.00 H new ATOM 0 HB VAL A 109 -6.094 6.765 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.521 7.431 -4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.569 5.661 -4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.136 6.446 -3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.040 8.794 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.646 7.842 -5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.989 7.974 -6.801 1.00 0.00 H new ATOM 1292 N LEU A 110 -2.422 6.047 -4.941 1.00 0.00 N ATOM 1293 CA LEU A 110 -1.392 6.026 -3.907 1.00 0.00 C ATOM 1294 C LEU A 110 -1.671 7.214 -2.974 1.00 0.00 C ATOM 1295 O LEU A 110 -1.163 8.301 -3.163 1.00 0.00 O ATOM 1296 CB LEU A 110 -0.069 6.199 -4.629 1.00 0.00 C ATOM 1297 CG LEU A 110 0.992 6.608 -3.649 1.00 0.00 C ATOM 1298 CD1 LEU A 110 1.049 5.571 -2.534 1.00 0.00 C ATOM 1299 CD2 LEU A 110 2.323 6.674 -4.382 1.00 0.00 C ATOM 0 H LEU A 110 -2.242 6.699 -5.704 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.377 5.108 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 110 0.214 5.267 -5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -0.166 6.953 -5.411 1.00 0.00 H new ATOM 0 HG LEU A 110 0.771 7.584 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.816 5.854 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 110 0.082 5.521 -2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.290 4.596 -2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.108 6.970 -3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 110 2.558 5.694 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.259 7.405 -5.188 1.00 0.00 H new ATOM 1311 N THR A 111 -2.528 7.029 -2.006 1.00 0.00 N ATOM 1312 CA THR A 111 -2.891 8.168 -1.105 1.00 0.00 C ATOM 1313 C THR A 111 -1.844 8.386 -0.007 1.00 0.00 C ATOM 1314 O THR A 111 -1.965 9.295 0.792 1.00 0.00 O ATOM 1315 CB THR A 111 -4.250 7.882 -0.468 1.00 0.00 C ATOM 1316 OG1 THR A 111 -4.321 6.509 -0.109 1.00 0.00 O ATOM 1317 CG2 THR A 111 -5.354 8.208 -1.473 1.00 0.00 C ATOM 0 H THR A 111 -2.992 6.145 -1.798 1.00 0.00 H new ATOM 0 HA THR A 111 -2.932 9.077 -1.705 1.00 0.00 H new ATOM 0 HB THR A 111 -4.377 8.496 0.424 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.191 6.323 0.301 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.326 8.006 -1.024 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.294 9.260 -1.750 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.230 7.591 -2.363 1.00 0.00 H new ATOM 1325 N GLY A 112 -0.819 7.586 0.050 1.00 0.00 N ATOM 1326 CA GLY A 112 0.210 7.798 1.109 1.00 0.00 C ATOM 1327 C GLY A 112 1.283 6.718 1.024 1.00 0.00 C ATOM 1328 O GLY A 112 1.453 6.092 -0.001 1.00 0.00 O ATOM 0 H GLY A 112 -0.647 6.803 -0.581 1.00 0.00 H new ATOM 0 HA2 GLY A 112 0.664 8.782 0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.260 7.778 2.092 1.00 0.00 H new ATOM 1332 N TYR A 113 2.018 6.522 2.096 1.00 0.00 N ATOM 1333 CA TYR A 113 3.111 5.524 2.116 1.00 0.00 C ATOM 1334 C TYR A 113 4.211 5.971 3.089 1.00 0.00 C ATOM 1335 O TYR A 113 4.673 7.094 3.049 1.00 0.00 O ATOM 1336 CB TYR A 113 3.748 5.400 0.737 1.00 0.00 C ATOM 1337 CG TYR A 113 4.095 6.766 0.147 1.00 0.00 C ATOM 1338 CD1 TYR A 113 3.796 7.969 0.820 1.00 0.00 C ATOM 1339 CD2 TYR A 113 4.719 6.822 -1.102 1.00 0.00 C ATOM 1340 CE1 TYR A 113 4.122 9.198 0.244 1.00 0.00 C ATOM 1341 CE2 TYR A 113 5.041 8.053 -1.677 1.00 0.00 C ATOM 1342 CZ TYR A 113 4.743 9.242 -1.007 1.00 0.00 C ATOM 1343 OH TYR A 113 5.061 10.456 -1.579 1.00 0.00 O ATOM 0 H TYR A 113 1.894 7.029 2.972 1.00 0.00 H new ATOM 0 HA TYR A 113 2.683 4.570 2.423 1.00 0.00 H new ATOM 0 HB2 TYR A 113 4.652 4.794 0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 113 3.065 4.878 0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 113 3.313 7.939 1.785 1.00 0.00 H new ATOM 0 HD2 TYR A 113 4.954 5.907 -1.626 1.00 0.00 H new ATOM 0 HE1 TYR A 113 3.894 10.116 0.766 1.00 0.00 H new ATOM 0 HE2 TYR A 113 5.522 8.086 -2.643 1.00 0.00 H new ATOM 0 HH TYR A 113 6.029 10.505 -1.726 1.00 0.00 H new ATOM 1353 N GLN A 114 4.684 5.096 3.926 1.00 0.00 N ATOM 1354 CA GLN A 114 5.799 5.496 4.827 1.00 0.00 C ATOM 1355 C GLN A 114 7.080 5.031 4.142 1.00 0.00 C ATOM 1356 O GLN A 114 7.463 3.888 4.234 1.00 0.00 O ATOM 1357 CB GLN A 114 5.675 4.840 6.212 1.00 0.00 C ATOM 1358 CG GLN A 114 4.201 4.724 6.621 1.00 0.00 C ATOM 1359 CD GLN A 114 3.588 6.120 6.759 1.00 0.00 C ATOM 1360 OE1 GLN A 114 4.136 7.089 6.271 1.00 0.00 O ATOM 1361 NE2 GLN A 114 2.465 6.261 7.409 1.00 0.00 N ATOM 0 H GLN A 114 4.355 4.136 4.027 1.00 0.00 H new ATOM 0 HA GLN A 114 5.788 6.573 4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 114 6.133 3.851 6.195 1.00 0.00 H new ATOM 0 HB3 GLN A 114 6.218 5.430 6.950 1.00 0.00 H new ATOM 0 HG2 GLN A 114 3.652 4.148 5.876 1.00 0.00 H new ATOM 0 HG3 GLN A 114 4.118 4.186 7.565 1.00 0.00 H new ATOM 0 HE21 GLN A 114 2.007 5.447 7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.046 7.186 7.508 1.00 0.00 H new ATOM 1370 N VAL A 115 7.719 5.889 3.407 1.00 0.00 N ATOM 1371 CA VAL A 115 8.930 5.466 2.679 1.00 0.00 C ATOM 1372 C VAL A 115 10.068 5.153 3.643 1.00 0.00 C ATOM 1373 O VAL A 115 10.069 5.559 4.788 1.00 0.00 O ATOM 1374 CB VAL A 115 9.337 6.582 1.739 1.00 0.00 C ATOM 1375 CG1 VAL A 115 9.922 7.723 2.546 1.00 0.00 C ATOM 1376 CG2 VAL A 115 10.372 6.063 0.758 1.00 0.00 C ATOM 0 H VAL A 115 7.452 6.865 3.281 1.00 0.00 H new ATOM 0 HA VAL A 115 8.714 4.557 2.117 1.00 0.00 H new ATOM 0 HB VAL A 115 8.466 6.937 1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.217 8.530 1.875 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.175 8.091 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.795 7.370 3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 115 10.666 6.865 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 115 11.247 5.711 1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 115 9.948 5.240 0.183 1.00 0.00 H new ATOM 1386 N ASP A 115A 11.038 4.429 3.170 1.00 0.00 N ATOM 1387 CA ASP A 115A 12.201 4.069 4.027 1.00 0.00 C ATOM 1388 C ASP A 115A 11.731 3.488 5.369 1.00 0.00 C ATOM 1389 O ASP A 115A 12.470 3.473 6.333 1.00 0.00 O ATOM 1390 CB ASP A 115A 13.039 5.323 4.285 1.00 0.00 C ATOM 1391 CG ASP A 115A 14.381 4.925 4.905 1.00 0.00 C ATOM 1392 OD1 ASP A 115A 14.625 3.736 5.026 1.00 0.00 O ATOM 1393 OD2 ASP A 115A 15.139 5.816 5.247 1.00 0.00 O ATOM 0 H ASP A 115A 11.077 4.067 2.217 1.00 0.00 H new ATOM 0 HA ASP A 115A 12.796 3.315 3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 115A 13.204 5.861 3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 115A 12.505 5.999 4.953 1.00 0.00 H new ATOM 1398 N LYS A 116 10.518 3.000 5.450 1.00 0.00 N ATOM 1399 CA LYS A 116 10.041 2.422 6.734 1.00 0.00 C ATOM 1400 C LYS A 116 10.301 0.910 6.715 1.00 0.00 C ATOM 1401 O LYS A 116 9.984 0.231 5.760 1.00 0.00 O ATOM 1402 CB LYS A 116 8.549 2.730 6.893 1.00 0.00 C ATOM 1403 CG LYS A 116 8.371 3.768 8.005 1.00 0.00 C ATOM 1404 CD LYS A 116 9.376 4.905 7.819 1.00 0.00 C ATOM 1405 CE LYS A 116 8.833 6.177 8.474 1.00 0.00 C ATOM 1406 NZ LYS A 116 9.925 6.852 9.229 1.00 0.00 N ATOM 0 H LYS A 116 9.844 2.979 4.685 1.00 0.00 H new ATOM 0 HA LYS A 116 10.572 2.856 7.581 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.140 3.108 5.956 1.00 0.00 H new ATOM 0 HB3 LYS A 116 8.000 1.820 7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 116 7.355 4.162 7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.514 3.299 8.979 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.334 4.635 8.263 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.554 5.077 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 116 8.433 6.848 7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 116 8.011 5.930 9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 9.556 7.717 9.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.286 6.211 9.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.696 7.100 8.577 1.00 0.00 H new ATOM 1420 N ASN A 117 10.922 0.385 7.743 1.00 0.00 N ATOM 1421 CA ASN A 117 11.254 -1.074 7.747 1.00 0.00 C ATOM 1422 C ASN A 117 10.321 -1.880 8.658 1.00 0.00 C ATOM 1423 O ASN A 117 9.204 -1.494 8.941 1.00 0.00 O ATOM 1424 CB ASN A 117 12.693 -1.252 8.230 1.00 0.00 C ATOM 1425 CG ASN A 117 13.576 -0.177 7.597 1.00 0.00 C ATOM 1426 OD1 ASN A 117 14.167 -0.396 6.558 1.00 0.00 O ATOM 1427 ND2 ASN A 117 13.690 0.983 8.181 1.00 0.00 N ATOM 0 H ASN A 117 11.212 0.900 8.575 1.00 0.00 H new ATOM 0 HA ASN A 117 11.130 -1.447 6.730 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.735 -1.180 9.317 1.00 0.00 H new ATOM 0 HB3 ASN A 117 13.059 -2.243 7.962 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.276 1.708 7.766 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.194 1.166 9.053 1.00 0.00 H new ATOM 1434 N LYS A 118 10.794 -3.023 9.092 1.00 0.00 N ATOM 1435 CA LYS A 118 9.985 -3.924 9.968 1.00 0.00 C ATOM 1436 C LYS A 118 9.480 -3.176 11.204 1.00 0.00 C ATOM 1437 O LYS A 118 8.297 -3.137 11.478 1.00 0.00 O ATOM 1438 CB LYS A 118 10.868 -5.094 10.413 1.00 0.00 C ATOM 1439 CG LYS A 118 10.097 -5.982 11.392 1.00 0.00 C ATOM 1440 CD LYS A 118 11.066 -6.951 12.072 1.00 0.00 C ATOM 1441 CE LYS A 118 10.976 -6.783 13.590 1.00 0.00 C ATOM 1442 NZ LYS A 118 12.009 -5.809 14.045 1.00 0.00 N ATOM 0 H LYS A 118 11.725 -3.375 8.871 1.00 0.00 H new ATOM 0 HA LYS A 118 9.122 -4.283 9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 118 11.179 -5.677 9.546 1.00 0.00 H new ATOM 0 HB3 LYS A 118 11.775 -4.718 10.886 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.596 -5.368 12.140 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.322 -6.537 10.864 1.00 0.00 H new ATOM 0 HD2 LYS A 118 10.825 -7.977 11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 118 12.085 -6.760 11.734 1.00 0.00 H new ATOM 0 HE2 LYS A 118 9.982 -6.433 13.869 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.125 -7.744 14.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 11.948 -5.695 15.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 12.954 -6.161 13.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.847 -4.891 13.585 1.00 0.00 H new ATOM 1456 N ASP A 119 10.371 -2.607 11.965 1.00 0.00 N ATOM 1457 CA ASP A 119 9.956 -1.882 13.203 1.00 0.00 C ATOM 1458 C ASP A 119 8.750 -0.975 12.933 1.00 0.00 C ATOM 1459 O ASP A 119 8.047 -0.590 13.846 1.00 0.00 O ATOM 1460 CB ASP A 119 11.121 -1.025 13.703 1.00 0.00 C ATOM 1461 CG ASP A 119 10.637 -0.113 14.832 1.00 0.00 C ATOM 1462 OD1 ASP A 119 10.559 -0.583 15.955 1.00 0.00 O ATOM 1463 OD2 ASP A 119 10.354 1.040 14.553 1.00 0.00 O ATOM 0 H ASP A 119 11.375 -2.611 11.784 1.00 0.00 H new ATOM 0 HA ASP A 119 9.676 -2.620 13.955 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.930 -1.664 14.059 1.00 0.00 H new ATOM 0 HB3 ASP A 119 11.523 -0.427 12.885 1.00 0.00 H new ATOM 1468 N ASP A 120 8.505 -0.609 11.704 1.00 0.00 N ATOM 1469 CA ASP A 120 7.350 0.294 11.438 1.00 0.00 C ATOM 1470 C ASP A 120 6.048 -0.479 11.318 1.00 0.00 C ATOM 1471 O ASP A 120 5.882 -1.327 10.465 1.00 0.00 O ATOM 1472 CB ASP A 120 7.552 1.061 10.138 1.00 0.00 C ATOM 1473 CG ASP A 120 6.350 1.979 9.922 1.00 0.00 C ATOM 1474 OD1 ASP A 120 5.485 2.001 10.780 1.00 0.00 O ATOM 1475 OD2 ASP A 120 6.312 2.640 8.906 1.00 0.00 O ATOM 0 H ASP A 120 9.045 -0.891 10.885 1.00 0.00 H new ATOM 0 HA ASP A 120 7.293 0.979 12.284 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.471 1.645 10.182 1.00 0.00 H new ATOM 0 HB3 ASP A 120 7.654 0.369 9.302 1.00 0.00 H new ATOM 1480 N GLU A 121 5.100 -0.131 12.131 1.00 0.00 N ATOM 1481 CA GLU A 121 3.773 -0.769 12.040 1.00 0.00 C ATOM 1482 C GLU A 121 2.890 0.218 11.282 1.00 0.00 C ATOM 1483 O GLU A 121 2.996 1.412 11.473 1.00 0.00 O ATOM 1484 CB GLU A 121 3.212 -1.011 13.441 1.00 0.00 C ATOM 1485 CG GLU A 121 1.982 -1.910 13.340 1.00 0.00 C ATOM 1486 CD GLU A 121 1.975 -2.903 14.503 1.00 0.00 C ATOM 1487 OE1 GLU A 121 1.956 -2.455 15.638 1.00 0.00 O ATOM 1488 OE2 GLU A 121 1.990 -4.094 14.240 1.00 0.00 O ATOM 0 H GLU A 121 5.191 0.575 12.861 1.00 0.00 H new ATOM 0 HA GLU A 121 3.821 -1.734 11.535 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.968 -1.478 14.073 1.00 0.00 H new ATOM 0 HB3 GLU A 121 2.947 -0.063 13.909 1.00 0.00 H new ATOM 0 HG2 GLU A 121 1.075 -1.306 13.359 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.988 -2.446 12.391 1.00 0.00 H new ATOM 1495 N LEU A 122 2.051 -0.237 10.404 1.00 0.00 N ATOM 1496 CA LEU A 122 1.216 0.733 9.647 1.00 0.00 C ATOM 1497 C LEU A 122 0.371 1.541 10.621 1.00 0.00 C ATOM 1498 O LEU A 122 0.363 2.756 10.578 1.00 0.00 O ATOM 1499 CB LEU A 122 0.355 -0.014 8.640 1.00 0.00 C ATOM 1500 CG LEU A 122 1.317 -0.698 7.682 1.00 0.00 C ATOM 1501 CD1 LEU A 122 1.161 -2.195 7.784 1.00 0.00 C ATOM 1502 CD2 LEU A 122 1.066 -0.265 6.247 1.00 0.00 C ATOM 0 H LEU A 122 1.906 -1.221 10.178 1.00 0.00 H new ATOM 0 HA LEU A 122 1.850 1.427 9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.282 -0.744 9.139 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.303 0.672 8.107 1.00 0.00 H new ATOM 0 HG LEU A 122 2.331 -0.408 7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.853 -2.681 7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.379 -2.515 8.803 1.00 0.00 H new ATOM 0 HD13 LEU A 122 0.139 -2.473 7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 122 1.769 -0.771 5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.047 -0.526 5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.201 0.813 6.163 1.00 0.00 H new ATOM 1514 N THR A 123 -0.309 0.890 11.525 1.00 0.00 N ATOM 1515 CA THR A 123 -1.120 1.648 12.519 1.00 0.00 C ATOM 1516 C THR A 123 -1.871 2.765 11.796 1.00 0.00 C ATOM 1517 O THR A 123 -1.934 2.802 10.583 1.00 0.00 O ATOM 1518 CB THR A 123 -0.189 2.245 13.603 1.00 0.00 C ATOM 1519 OG1 THR A 123 -0.398 3.643 13.724 1.00 0.00 O ATOM 1520 CG2 THR A 123 1.271 2.007 13.227 1.00 0.00 C ATOM 0 H THR A 123 -0.338 -0.125 11.618 1.00 0.00 H new ATOM 0 HA THR A 123 -1.836 0.982 13.001 1.00 0.00 H new ATOM 0 HB THR A 123 -0.418 1.757 14.550 1.00 0.00 H new ATOM 0 HG1 THR A 123 -0.807 3.839 14.593 1.00 0.00 H new ATOM 0 HG21 THR A 123 1.918 2.430 13.995 1.00 0.00 H new ATOM 0 HG22 THR A 123 1.456 0.936 13.146 1.00 0.00 H new ATOM 0 HG23 THR A 123 1.483 2.485 12.270 1.00 0.00 H new ATOM 1528 N GLY A 124 -2.440 3.675 12.522 1.00 0.00 N ATOM 1529 CA GLY A 124 -3.178 4.788 11.864 1.00 0.00 C ATOM 1530 C GLY A 124 -2.238 5.489 10.881 1.00 0.00 C ATOM 1531 O GLY A 124 -1.515 6.397 11.238 1.00 0.00 O ATOM 0 H GLY A 124 -2.429 3.701 13.542 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.053 4.403 11.340 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -3.539 5.495 12.611 1.00 0.00 H new ATOM 1535 N PHE A 125 -2.237 5.063 9.647 1.00 0.00 N ATOM 1536 CA PHE A 125 -1.339 5.692 8.637 1.00 0.00 C ATOM 1537 C PHE A 125 -1.429 7.214 8.752 1.00 0.00 C ATOM 1538 O PHE A 125 -2.301 7.684 9.465 1.00 0.00 O ATOM 1539 CB PHE A 125 -1.775 5.263 7.237 1.00 0.00 C ATOM 1540 CG PHE A 125 -0.564 4.969 6.386 1.00 0.00 C ATOM 1541 CD1 PHE A 125 0.206 6.018 5.869 1.00 0.00 C ATOM 1542 CD2 PHE A 125 -0.214 3.640 6.110 1.00 0.00 C ATOM 1543 CE1 PHE A 125 1.323 5.736 5.076 1.00 0.00 C ATOM 1544 CE2 PHE A 125 0.902 3.362 5.313 1.00 0.00 C ATOM 1545 CZ PHE A 125 1.668 4.412 4.798 1.00 0.00 C ATOM 1546 OXT PHE A 125 -0.629 7.884 8.120 1.00 0.00 O ATOM 0 H PHE A 125 -2.821 4.305 9.294 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.312 5.374 8.815 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -2.409 4.378 7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -2.371 6.050 6.776 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -0.062 7.042 6.082 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -0.805 2.831 6.512 1.00 0.00 H new ATOM 0 HE1 PHE A 125 1.920 6.544 4.678 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.171 2.339 5.096 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.530 4.198 4.183 1.00 0.00 H new