USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 635 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0238 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0656 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.272 K(o=-0.27,f=-2.6!) USER MOD Single : A 19 LYS NZ :NH3+ 157:sc= -1.77 (180deg=-3.61!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS :FLIP no HE2:sc= -2.4 F(o=-4.5!,f=-2.4) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.351 K(o=-0.35,f=-2.5) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.23) USER MOD Single : A 58 GLN : amide:sc= -0.265 K(o=-0.26,f=-2.3!) USER MOD Single : A 62 HIS : no HE2:sc= -14.1! C(o=-14!,f=-18!) USER MOD Single : A 63 CYS SG : rot -47:sc= -1.49 USER MOD Single : A 69 THR OG1 : rot 41:sc= 0.817 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 71 ASN : amide:sc= -0.0438 K(o=-0.044,f=-1.6!) USER MOD Single : A 72 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.11) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.00464) USER MOD Single : A 97 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0163) USER MOD ----------------------------------------------------------------- ATOM 29 N THR A 3 1.978 -18.757 -1.392 1.00 0.00 N ATOM 30 CA THR A 3 3.041 -18.840 -2.380 1.00 0.00 C ATOM 31 C THR A 3 3.815 -17.523 -2.442 1.00 0.00 C ATOM 32 O THR A 3 3.323 -16.487 -1.996 1.00 0.00 O ATOM 33 CB THR A 3 2.415 -19.241 -3.717 1.00 0.00 C ATOM 34 OG1 THR A 3 2.618 -20.650 -3.788 1.00 0.00 O ATOM 35 CG2 THR A 3 3.190 -18.690 -4.914 1.00 0.00 C ATOM 0 HA THR A 3 3.775 -19.599 -2.108 1.00 0.00 H new ATOM 0 HB THR A 3 1.386 -18.885 -3.757 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.240 -20.993 -4.625 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.704 -19.004 -5.838 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.209 -17.601 -4.865 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.211 -19.072 -4.894 1.00 0.00 H new ATOM 43 N THR A 4 5.015 -17.604 -2.998 1.00 0.00 N ATOM 44 CA THR A 4 5.863 -16.431 -3.125 1.00 0.00 C ATOM 45 C THR A 4 6.118 -16.113 -4.600 1.00 0.00 C ATOM 46 O THR A 4 6.391 -17.013 -5.394 1.00 0.00 O ATOM 47 CB THR A 4 7.144 -16.684 -2.327 1.00 0.00 C ATOM 48 OG1 THR A 4 7.414 -18.068 -2.537 1.00 0.00 O ATOM 49 CG2 THR A 4 6.925 -16.572 -0.817 1.00 0.00 C ATOM 0 H THR A 4 5.420 -18.465 -3.366 1.00 0.00 H new ATOM 0 HA THR A 4 5.377 -15.546 -2.714 1.00 0.00 H new ATOM 0 HB THR A 4 7.911 -15.974 -2.636 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.230 -18.319 -2.056 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.865 -16.760 -0.298 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.571 -15.570 -0.574 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.183 -17.306 -0.502 1.00 0.00 H new ATOM 57 N ILE A 5 6.020 -14.832 -4.921 1.00 0.00 N ATOM 58 CA ILE A 5 6.237 -14.386 -6.287 1.00 0.00 C ATOM 59 C ILE A 5 7.408 -13.401 -6.317 1.00 0.00 C ATOM 60 O ILE A 5 7.624 -12.659 -5.360 1.00 0.00 O ATOM 61 CB ILE A 5 4.944 -13.821 -6.878 1.00 0.00 C ATOM 62 CG1 ILE A 5 5.211 -12.523 -7.642 1.00 0.00 C ATOM 63 CG2 ILE A 5 3.879 -13.640 -5.794 1.00 0.00 C ATOM 64 CD1 ILE A 5 5.237 -11.323 -6.692 1.00 0.00 C ATOM 0 H ILE A 5 5.794 -14.089 -4.260 1.00 0.00 H new ATOM 0 HA ILE A 5 6.510 -15.228 -6.924 1.00 0.00 H new ATOM 0 HB ILE A 5 4.553 -14.542 -7.596 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.163 -12.596 -8.168 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.439 -12.376 -8.398 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.970 -13.237 -6.241 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.661 -14.604 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.247 -12.950 -5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.429 -10.413 -7.261 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.275 -11.239 -6.186 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.026 -11.462 -5.952 1.00 0.00 H new ATOM 75 N SER A 6 8.134 -13.426 -7.425 1.00 0.00 N ATOM 76 CA SER A 6 9.276 -12.545 -7.592 1.00 0.00 C ATOM 77 C SER A 6 8.806 -11.154 -8.022 1.00 0.00 C ATOM 78 O SER A 6 7.613 -10.931 -8.217 1.00 0.00 O ATOM 79 CB SER A 6 10.263 -13.111 -8.616 1.00 0.00 C ATOM 80 OG SER A 6 9.939 -14.448 -8.987 1.00 0.00 O ATOM 0 H SER A 6 7.953 -14.043 -8.216 1.00 0.00 H new ATOM 0 HA SER A 6 9.791 -12.468 -6.634 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.266 -12.479 -9.504 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.271 -13.084 -8.202 1.00 0.00 H new ATOM 0 HG SER A 6 10.591 -14.773 -9.643 1.00 0.00 H new ATOM 85 N PRO A 7 9.795 -10.231 -8.160 1.00 0.00 N ATOM 86 CA PRO A 7 9.495 -8.867 -8.563 1.00 0.00 C ATOM 87 C PRO A 7 9.171 -8.796 -10.057 1.00 0.00 C ATOM 88 O PRO A 7 9.246 -9.802 -10.761 1.00 0.00 O ATOM 89 CB PRO A 7 10.728 -8.065 -8.184 1.00 0.00 C ATOM 90 CG PRO A 7 11.848 -9.078 -8.010 1.00 0.00 C ATOM 91 CD PRO A 7 11.219 -10.459 -7.938 1.00 0.00 C ATOM 0 HA PRO A 7 8.609 -8.467 -8.069 1.00 0.00 H new ATOM 0 HB2 PRO A 7 10.975 -7.339 -8.959 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.562 -7.505 -7.264 1.00 0.00 H new ATOM 0 HG2 PRO A 7 12.548 -9.020 -8.844 1.00 0.00 H new ATOM 0 HG3 PRO A 7 12.415 -8.869 -7.103 1.00 0.00 H new ATOM 0 HD2 PRO A 7 11.636 -11.124 -8.695 1.00 0.00 H new ATOM 0 HD3 PRO A 7 11.399 -10.926 -6.970 1.00 0.00 H new ATOM 96 N HIS A 8 8.819 -7.596 -10.497 1.00 0.00 N ATOM 97 CA HIS A 8 8.484 -7.380 -11.894 1.00 0.00 C ATOM 98 C HIS A 8 7.147 -8.054 -12.211 1.00 0.00 C ATOM 99 O HIS A 8 6.201 -7.394 -12.638 1.00 0.00 O ATOM 100 CB HIS A 8 9.618 -7.854 -12.805 1.00 0.00 C ATOM 101 CG HIS A 8 9.666 -7.154 -14.141 1.00 0.00 C ATOM 102 ND1 HIS A 8 10.375 -5.985 -14.349 1.00 0.00 N ATOM 103 CD2 HIS A 8 9.087 -7.472 -15.336 1.00 0.00 C ATOM 104 CE1 HIS A 8 10.223 -5.622 -15.615 1.00 0.00 C ATOM 105 NE2 HIS A 8 9.423 -6.545 -16.224 1.00 0.00 N ATOM 0 H HIS A 8 8.759 -6.764 -9.910 1.00 0.00 H new ATOM 0 HA HIS A 8 8.367 -6.313 -12.083 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.568 -7.703 -12.293 1.00 0.00 H new ATOM 0 HB3 HIS A 8 9.512 -8.926 -12.972 1.00 0.00 H new ATOM 0 HD2 HIS A 8 8.462 -8.332 -15.526 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.656 -4.750 -16.082 1.00 0.00 H new ATOM 0 HE2 HIS A 8 9.131 -6.525 -17.201 1.00 0.00 H new ATOM 112 N ASP A 9 7.112 -9.360 -11.991 1.00 0.00 N ATOM 113 CA ASP A 9 5.908 -10.131 -12.248 1.00 0.00 C ATOM 114 C ASP A 9 4.742 -9.524 -11.465 1.00 0.00 C ATOM 115 O ASP A 9 3.634 -9.407 -11.985 1.00 0.00 O ATOM 116 CB ASP A 9 6.075 -11.582 -11.796 1.00 0.00 C ATOM 117 CG ASP A 9 6.518 -12.554 -12.892 1.00 0.00 C ATOM 118 OD1 ASP A 9 5.696 -13.048 -13.679 1.00 0.00 O ATOM 119 OD2 ASP A 9 7.784 -12.803 -12.922 1.00 0.00 O ATOM 0 H ASP A 9 7.899 -9.904 -11.637 1.00 0.00 H new ATOM 0 HA ASP A 9 5.716 -10.108 -13.321 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.805 -11.613 -10.987 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.128 -11.930 -11.384 1.00 0.00 H new ATOM 124 N ALA A 10 5.033 -9.153 -10.226 1.00 0.00 N ATOM 125 CA ALA A 10 4.022 -8.561 -9.366 1.00 0.00 C ATOM 126 C ALA A 10 3.645 -7.180 -9.906 1.00 0.00 C ATOM 127 O ALA A 10 2.469 -6.817 -9.925 1.00 0.00 O ATOM 128 CB ALA A 10 4.546 -8.503 -7.930 1.00 0.00 C ATOM 0 H ALA A 10 5.954 -9.251 -9.798 1.00 0.00 H new ATOM 0 HA ALA A 10 3.118 -9.170 -9.359 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.789 -8.059 -7.284 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.772 -9.512 -7.584 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.451 -7.897 -7.897 1.00 0.00 H new ATOM 134 N GLN A 11 4.664 -6.448 -10.331 1.00 0.00 N ATOM 135 CA GLN A 11 4.453 -5.114 -10.870 1.00 0.00 C ATOM 136 C GLN A 11 3.454 -5.161 -12.027 1.00 0.00 C ATOM 137 O GLN A 11 2.894 -4.135 -12.410 1.00 0.00 O ATOM 138 CB GLN A 11 5.777 -4.487 -11.313 1.00 0.00 C ATOM 139 CG GLN A 11 5.595 -3.005 -11.647 1.00 0.00 C ATOM 140 CD GLN A 11 6.498 -2.591 -12.812 1.00 0.00 C ATOM 141 OE1 GLN A 11 7.107 -3.411 -13.480 1.00 0.00 O ATOM 142 NE2 GLN A 11 6.548 -1.278 -13.018 1.00 0.00 N ATOM 0 H GLN A 11 5.637 -6.752 -10.313 1.00 0.00 H new ATOM 0 HA GLN A 11 4.037 -4.486 -10.082 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.519 -4.597 -10.522 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.161 -5.016 -12.185 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.553 -2.811 -11.903 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.826 -2.400 -10.770 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.013 -0.647 -12.421 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.122 -0.902 -13.773 1.00 0.00 H new ATOM 149 N GLU A 12 3.259 -6.362 -12.551 1.00 0.00 N ATOM 150 CA GLU A 12 2.337 -6.556 -13.656 1.00 0.00 C ATOM 151 C GLU A 12 0.926 -6.830 -13.130 1.00 0.00 C ATOM 152 O GLU A 12 0.026 -6.010 -13.305 1.00 0.00 O ATOM 153 CB GLU A 12 2.809 -7.688 -14.572 1.00 0.00 C ATOM 154 CG GLU A 12 2.993 -7.191 -16.007 1.00 0.00 C ATOM 155 CD GLU A 12 2.409 -8.187 -17.012 1.00 0.00 C ATOM 156 OE1 GLU A 12 1.196 -8.441 -16.998 1.00 0.00 O ATOM 157 OE2 GLU A 12 3.265 -8.703 -17.828 1.00 0.00 O ATOM 0 H GLU A 12 3.724 -7.211 -12.230 1.00 0.00 H new ATOM 0 HA GLU A 12 2.312 -5.640 -14.247 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.750 -8.093 -14.200 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.083 -8.501 -14.555 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.507 -6.223 -16.125 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.053 -7.043 -16.211 1.00 0.00 H new ATOM 163 N LEU A 13 0.779 -7.983 -12.495 1.00 0.00 N ATOM 164 CA LEU A 13 -0.506 -8.374 -11.941 1.00 0.00 C ATOM 165 C LEU A 13 -1.139 -7.172 -11.236 1.00 0.00 C ATOM 166 O LEU A 13 -2.316 -6.878 -11.441 1.00 0.00 O ATOM 167 CB LEU A 13 -0.351 -9.602 -11.044 1.00 0.00 C ATOM 168 CG LEU A 13 0.793 -9.552 -10.029 1.00 0.00 C ATOM 169 CD1 LEU A 13 0.296 -9.070 -8.666 1.00 0.00 C ATOM 170 CD2 LEU A 13 1.502 -10.904 -9.935 1.00 0.00 C ATOM 0 H LEU A 13 1.529 -8.660 -12.352 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.189 -8.674 -12.736 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.285 -9.751 -10.502 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.208 -10.476 -11.680 1.00 0.00 H new ATOM 0 HG LEU A 13 1.528 -8.827 -10.378 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.129 -9.044 -7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.126 -8.070 -8.766 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.469 -9.752 -8.296 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.311 -10.841 -9.207 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.790 -11.667 -9.621 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.911 -11.169 -10.910 1.00 0.00 H new ATOM 181 N ILE A 14 -0.331 -6.511 -10.422 1.00 0.00 N ATOM 182 CA ILE A 14 -0.797 -5.348 -9.685 1.00 0.00 C ATOM 183 C ILE A 14 -1.408 -4.342 -10.663 1.00 0.00 C ATOM 184 O ILE A 14 -2.415 -3.705 -10.355 1.00 0.00 O ATOM 185 CB ILE A 14 0.331 -4.768 -8.831 1.00 0.00 C ATOM 186 CG1 ILE A 14 0.098 -5.055 -7.346 1.00 0.00 C ATOM 187 CG2 ILE A 14 0.511 -3.272 -9.103 1.00 0.00 C ATOM 188 CD1 ILE A 14 1.425 -5.251 -6.610 1.00 0.00 C ATOM 0 H ILE A 14 0.645 -6.758 -10.256 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.583 -5.630 -8.984 1.00 0.00 H new ATOM 0 HB ILE A 14 1.261 -5.262 -9.113 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.454 -4.230 -6.895 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.518 -5.948 -7.237 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.319 -2.884 -8.483 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.755 -3.120 -10.154 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -0.413 -2.745 -8.866 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.230 -5.453 -5.557 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.963 -6.092 -7.048 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.028 -4.348 -6.700 1.00 0.00 H new ATOM 199 N ALA A 15 -0.775 -4.232 -11.821 1.00 0.00 N ATOM 200 CA ALA A 15 -1.244 -3.315 -12.846 1.00 0.00 C ATOM 201 C ALA A 15 -2.363 -3.981 -13.648 1.00 0.00 C ATOM 202 O ALA A 15 -2.813 -3.442 -14.658 1.00 0.00 O ATOM 203 CB ALA A 15 -0.068 -2.889 -13.728 1.00 0.00 C ATOM 0 H ALA A 15 0.059 -4.763 -12.073 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.655 -2.413 -12.394 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.420 -2.201 -14.497 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.685 -2.394 -13.116 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.369 -3.768 -14.201 1.00 0.00 H new ATOM 209 N ARG A 16 -2.780 -5.143 -13.167 1.00 0.00 N ATOM 210 CA ARG A 16 -3.838 -5.889 -13.827 1.00 0.00 C ATOM 211 C ARG A 16 -5.098 -5.906 -12.958 1.00 0.00 C ATOM 212 O ARG A 16 -6.207 -5.752 -13.465 1.00 0.00 O ATOM 213 CB ARG A 16 -3.404 -7.329 -14.110 1.00 0.00 C ATOM 214 CG ARG A 16 -2.133 -7.360 -14.964 1.00 0.00 C ATOM 215 CD ARG A 16 -2.475 -7.353 -16.455 1.00 0.00 C ATOM 216 NE ARG A 16 -1.237 -7.468 -17.258 1.00 0.00 N ATOM 217 CZ ARG A 16 -1.149 -7.139 -18.564 1.00 0.00 C ATOM 218 NH1 ARG A 16 -2.228 -6.672 -19.228 1.00 0.00 N ATOM 219 NH2 ARG A 16 0.008 -7.280 -19.184 1.00 0.00 N ATOM 0 H ARG A 16 -2.405 -5.586 -12.328 1.00 0.00 H new ATOM 0 HA ARG A 16 -4.051 -5.393 -14.774 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.228 -7.851 -13.170 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.205 -7.860 -14.624 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.509 -6.498 -14.726 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.551 -8.250 -14.725 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.147 -8.180 -16.686 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.001 -6.433 -16.712 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.398 -7.818 -16.795 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.119 -6.565 -18.743 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.152 -6.426 -20.215 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.819 -7.633 -18.676 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.091 -7.036 -20.171 1.00 0.00 H new ATOM 229 N GLY A 17 -4.882 -6.094 -11.665 1.00 0.00 N ATOM 230 CA GLY A 17 -5.985 -6.133 -10.720 1.00 0.00 C ATOM 231 C GLY A 17 -5.513 -6.607 -9.344 1.00 0.00 C ATOM 232 O GLY A 17 -6.058 -6.194 -8.321 1.00 0.00 O ATOM 0 H GLY A 17 -3.959 -6.221 -11.249 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.430 -5.142 -10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.763 -6.800 -11.091 1.00 0.00 H new ATOM 236 N ALA A 18 -4.505 -7.466 -9.364 1.00 0.00 N ATOM 237 CA ALA A 18 -3.954 -8.000 -8.130 1.00 0.00 C ATOM 238 C ALA A 18 -3.846 -6.878 -7.096 1.00 0.00 C ATOM 239 O ALA A 18 -3.034 -5.966 -7.246 1.00 0.00 O ATOM 240 CB ALA A 18 -2.603 -8.660 -8.418 1.00 0.00 C ATOM 0 H ALA A 18 -4.056 -7.805 -10.214 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.610 -8.766 -7.717 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.189 -9.061 -7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.739 -9.469 -9.135 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.917 -7.920 -8.832 1.00 0.00 H new ATOM 246 N LYS A 19 -4.676 -6.980 -6.069 1.00 0.00 N ATOM 247 CA LYS A 19 -4.685 -5.986 -5.010 1.00 0.00 C ATOM 248 C LYS A 19 -3.755 -6.439 -3.883 1.00 0.00 C ATOM 249 O LYS A 19 -3.854 -7.569 -3.408 1.00 0.00 O ATOM 250 CB LYS A 19 -6.116 -5.704 -4.551 1.00 0.00 C ATOM 251 CG LYS A 19 -6.483 -4.235 -4.769 1.00 0.00 C ATOM 252 CD LYS A 19 -6.007 -3.749 -6.139 1.00 0.00 C ATOM 253 CE LYS A 19 -6.957 -2.692 -6.706 1.00 0.00 C ATOM 254 NZ LYS A 19 -7.681 -2.006 -5.613 1.00 0.00 N ATOM 0 H LYS A 19 -5.348 -7.737 -5.948 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.300 -5.035 -5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.810 -6.341 -5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.219 -5.955 -3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.563 -4.111 -4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.034 -3.624 -3.986 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.003 -3.332 -6.053 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.944 -4.593 -6.826 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.394 -1.964 -7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.670 -3.161 -7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.005 -1.074 -5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.502 -2.577 -5.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.045 -1.884 -4.799 1.00 0.00 H new ATOM 263 N LEU A 20 -2.871 -5.535 -3.487 1.00 0.00 N ATOM 264 CA LEU A 20 -1.925 -5.827 -2.424 1.00 0.00 C ATOM 265 C LEU A 20 -2.400 -5.166 -1.128 1.00 0.00 C ATOM 266 O LEU A 20 -2.899 -4.043 -1.147 1.00 0.00 O ATOM 267 CB LEU A 20 -0.510 -5.419 -2.840 1.00 0.00 C ATOM 268 CG LEU A 20 0.454 -5.087 -1.699 1.00 0.00 C ATOM 269 CD1 LEU A 20 1.871 -4.853 -2.229 1.00 0.00 C ATOM 270 CD2 LEU A 20 -0.054 -3.898 -0.881 1.00 0.00 C ATOM 0 H LEU A 20 -2.790 -4.599 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.881 -6.900 -2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.079 -6.228 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.581 -4.550 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 20 0.498 -5.945 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.536 -4.619 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.224 -5.752 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.863 -4.021 -2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.649 -3.683 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.145 -3.025 -1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.029 -4.138 -0.456 1.00 0.00 H new ATOM 281 N ILE A 21 -2.226 -5.893 -0.034 1.00 0.00 N ATOM 282 CA ILE A 21 -2.630 -5.392 1.269 1.00 0.00 C ATOM 283 C ILE A 21 -1.385 -5.040 2.085 1.00 0.00 C ATOM 284 O ILE A 21 -0.367 -5.725 1.997 1.00 0.00 O ATOM 285 CB ILE A 21 -3.559 -6.391 1.963 1.00 0.00 C ATOM 286 CG1 ILE A 21 -4.658 -6.869 1.014 1.00 0.00 C ATOM 287 CG2 ILE A 21 -4.131 -5.802 3.254 1.00 0.00 C ATOM 288 CD1 ILE A 21 -5.318 -5.686 0.299 1.00 0.00 C ATOM 0 H ILE A 21 -1.811 -6.825 -0.023 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.209 -4.475 1.161 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.972 -7.266 2.241 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.236 -7.554 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.410 -7.426 1.573 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.788 -6.532 3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.315 -5.553 3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.698 -4.900 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.096 -6.053 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.760 -5.016 1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.568 -5.146 -0.279 1.00 0.00 H new ATOM 299 N ASP A 22 -1.506 -3.973 2.859 1.00 0.00 N ATOM 300 CA ASP A 22 -0.401 -3.521 3.690 1.00 0.00 C ATOM 301 C ASP A 22 -0.659 -3.936 5.140 1.00 0.00 C ATOM 302 O ASP A 22 -1.085 -3.121 5.957 1.00 0.00 O ATOM 303 CB ASP A 22 -0.269 -1.998 3.651 1.00 0.00 C ATOM 304 CG ASP A 22 -0.696 -1.345 2.334 1.00 0.00 C ATOM 305 OD1 ASP A 22 -0.028 -0.431 1.828 1.00 0.00 O ATOM 306 OD2 ASP A 22 -1.779 -1.818 1.817 1.00 0.00 O ATOM 0 H ASP A 22 -2.352 -3.407 2.929 1.00 0.00 H new ATOM 0 HA ASP A 22 0.515 -3.971 3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.867 -1.576 4.459 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.769 -1.733 3.851 1.00 0.00 H new ATOM 311 N ILE A 23 -0.386 -5.203 5.417 1.00 0.00 N ATOM 312 CA ILE A 23 -0.582 -5.736 6.754 1.00 0.00 C ATOM 313 C ILE A 23 0.590 -5.315 7.643 1.00 0.00 C ATOM 314 O ILE A 23 1.226 -6.155 8.277 1.00 0.00 O ATOM 315 CB ILE A 23 -0.800 -7.250 6.701 1.00 0.00 C ATOM 316 CG1 ILE A 23 0.528 -7.990 6.529 1.00 0.00 C ATOM 317 CG2 ILE A 23 -1.809 -7.620 5.612 1.00 0.00 C ATOM 318 CD1 ILE A 23 0.906 -8.741 7.808 1.00 0.00 C ATOM 0 H ILE A 23 -0.031 -5.876 4.738 1.00 0.00 H new ATOM 0 HA ILE A 23 -1.486 -5.322 7.200 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.223 -7.568 7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.452 -8.693 5.699 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.314 -7.279 6.274 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.946 -8.701 5.595 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.763 -7.136 5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.437 -7.286 4.643 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.854 -9.259 7.659 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.005 -8.032 8.630 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.129 -9.468 8.046 1.00 0.00 H new ATOM 329 N ARG A 24 0.840 -4.013 7.661 1.00 0.00 N ATOM 330 CA ARG A 24 1.925 -3.471 8.461 1.00 0.00 C ATOM 331 C ARG A 24 1.383 -2.448 9.463 1.00 0.00 C ATOM 332 O ARG A 24 1.025 -2.804 10.584 1.00 0.00 O ATOM 333 CB ARG A 24 2.979 -2.801 7.578 1.00 0.00 C ATOM 334 CG ARG A 24 2.399 -2.441 6.208 1.00 0.00 C ATOM 335 CD ARG A 24 3.247 -1.371 5.517 1.00 0.00 C ATOM 336 NE ARG A 24 2.376 -0.295 4.995 1.00 0.00 N ATOM 337 CZ ARG A 24 2.645 0.425 3.885 1.00 0.00 C ATOM 338 NH1 ARG A 24 3.767 0.190 3.171 1.00 0.00 N ATOM 339 NH2 ARG A 24 1.797 1.363 3.509 1.00 0.00 N ATOM 0 H ARG A 24 0.310 -3.319 7.135 1.00 0.00 H new ATOM 0 HA ARG A 24 2.390 -4.299 8.996 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.350 -1.901 8.068 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.831 -3.469 7.452 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.353 -3.333 5.583 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.377 -2.080 6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.969 -0.957 6.221 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.817 -1.817 4.702 1.00 0.00 H new ATOM 0 HE ARG A 24 1.519 -0.084 5.506 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.419 -0.536 3.469 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.963 0.738 2.334 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.953 1.536 4.055 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.986 1.916 2.673 1.00 0.00 H new ATOM 349 N ASP A 25 1.343 -1.200 9.022 1.00 0.00 N ATOM 350 CA ASP A 25 0.852 -0.124 9.866 1.00 0.00 C ATOM 351 C ASP A 25 0.413 1.049 8.987 1.00 0.00 C ATOM 352 O ASP A 25 0.261 0.898 7.776 1.00 0.00 O ATOM 353 CB ASP A 25 1.946 0.378 10.810 1.00 0.00 C ATOM 354 CG ASP A 25 1.622 0.251 12.300 1.00 0.00 C ATOM 355 OD1 ASP A 25 0.666 0.863 12.800 1.00 0.00 O ATOM 356 OD2 ASP A 25 2.409 -0.526 12.966 1.00 0.00 O ATOM 0 H ASP A 25 1.642 -0.909 8.091 1.00 0.00 H new ATOM 0 HA ASP A 25 0.018 -0.510 10.452 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.863 -0.174 10.605 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.147 1.425 10.585 1.00 0.00 H new ATOM 361 N ALA A 26 0.222 2.191 9.630 1.00 0.00 N ATOM 362 CA ALA A 26 -0.196 3.389 8.922 1.00 0.00 C ATOM 363 C ALA A 26 1.015 4.299 8.710 1.00 0.00 C ATOM 364 O ALA A 26 1.129 4.953 7.674 1.00 0.00 O ATOM 365 CB ALA A 26 -1.315 4.080 9.704 1.00 0.00 C ATOM 0 H ALA A 26 0.349 2.312 10.635 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.594 3.135 7.939 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.629 4.979 9.173 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.163 3.402 9.802 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.952 4.352 10.695 1.00 0.00 H new ATOM 371 N ASP A 27 1.888 4.312 9.706 1.00 0.00 N ATOM 372 CA ASP A 27 3.086 5.131 9.640 1.00 0.00 C ATOM 373 C ASP A 27 3.869 4.782 8.374 1.00 0.00 C ATOM 374 O ASP A 27 4.523 5.643 7.786 1.00 0.00 O ATOM 375 CB ASP A 27 3.995 4.875 10.844 1.00 0.00 C ATOM 376 CG ASP A 27 3.433 5.339 12.189 1.00 0.00 C ATOM 377 OD1 ASP A 27 3.344 4.558 13.148 1.00 0.00 O ATOM 378 OD2 ASP A 27 3.072 6.577 12.232 1.00 0.00 O ATOM 0 H ASP A 27 1.790 3.768 10.563 1.00 0.00 H new ATOM 0 HA ASP A 27 2.779 6.177 9.635 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.202 3.806 10.903 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.948 5.376 10.673 1.00 0.00 H new ATOM 383 N GLU A 28 3.778 3.517 7.989 1.00 0.00 N ATOM 384 CA GLU A 28 4.470 3.043 6.803 1.00 0.00 C ATOM 385 C GLU A 28 3.932 3.750 5.557 1.00 0.00 C ATOM 386 O GLU A 28 4.675 4.442 4.862 1.00 0.00 O ATOM 387 CB GLU A 28 4.348 1.524 6.668 1.00 0.00 C ATOM 388 CG GLU A 28 4.686 0.827 7.986 1.00 0.00 C ATOM 389 CD GLU A 28 5.852 1.524 8.692 1.00 0.00 C ATOM 390 OE1 GLU A 28 6.853 1.865 8.046 1.00 0.00 O ATOM 391 OE2 GLU A 28 5.688 1.710 9.959 1.00 0.00 O ATOM 0 H GLU A 28 3.235 2.806 8.478 1.00 0.00 H new ATOM 0 HA GLU A 28 5.529 3.282 6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.334 1.263 6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.017 1.170 5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.811 0.826 8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.942 -0.215 7.795 1.00 0.00 H new ATOM 397 N TYR A 29 2.646 3.550 5.312 1.00 0.00 N ATOM 398 CA TYR A 29 2.000 4.160 4.161 1.00 0.00 C ATOM 399 C TYR A 29 2.254 5.669 4.126 1.00 0.00 C ATOM 400 O TYR A 29 2.101 6.303 3.083 1.00 0.00 O ATOM 401 CB TYR A 29 0.500 3.911 4.339 1.00 0.00 C ATOM 402 CG TYR A 29 -0.363 4.491 3.217 1.00 0.00 C ATOM 403 CD1 TYR A 29 -0.616 3.744 2.085 1.00 0.00 C ATOM 404 CD2 TYR A 29 -0.890 5.761 3.338 1.00 0.00 C ATOM 405 CE1 TYR A 29 -1.429 4.290 1.029 1.00 0.00 C ATOM 406 CE2 TYR A 29 -1.704 6.307 2.282 1.00 0.00 C ATOM 407 CZ TYR A 29 -1.932 5.544 1.180 1.00 0.00 C ATOM 408 OH TYR A 29 -2.700 6.060 0.183 1.00 0.00 O ATOM 0 H TYR A 29 2.033 2.975 5.890 1.00 0.00 H new ATOM 0 HA TYR A 29 2.387 3.737 3.234 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.325 2.837 4.400 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.181 4.341 5.289 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.204 2.750 1.991 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.692 6.345 4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.634 3.716 0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.123 7.299 2.364 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.991 6.963 0.428 1.00 0.00 H new ATOM 417 N LEU A 30 2.637 6.199 5.278 1.00 0.00 N ATOM 418 CA LEU A 30 2.913 7.621 5.391 1.00 0.00 C ATOM 419 C LEU A 30 3.833 8.051 4.246 1.00 0.00 C ATOM 420 O LEU A 30 3.384 8.679 3.288 1.00 0.00 O ATOM 421 CB LEU A 30 3.466 7.950 6.780 1.00 0.00 C ATOM 422 CG LEU A 30 3.202 9.369 7.287 1.00 0.00 C ATOM 423 CD1 LEU A 30 4.055 10.390 6.531 1.00 0.00 C ATOM 424 CD2 LEU A 30 1.711 9.706 7.221 1.00 0.00 C ATOM 0 H LEU A 30 2.763 5.670 6.141 1.00 0.00 H new ATOM 0 HA LEU A 30 1.992 8.196 5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.042 7.245 7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.543 7.784 6.769 1.00 0.00 H new ATOM 0 HG LEU A 30 3.497 9.417 8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.848 11.390 6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.111 10.159 6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.815 10.349 5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.551 10.720 7.587 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.367 9.634 6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.152 9.004 7.840 1.00 0.00 H new ATOM 435 N ARG A 31 5.102 7.695 4.384 1.00 0.00 N ATOM 436 CA ARG A 31 6.088 8.036 3.372 1.00 0.00 C ATOM 437 C ARG A 31 5.967 7.092 2.173 1.00 0.00 C ATOM 438 O ARG A 31 5.607 7.518 1.077 1.00 0.00 O ATOM 439 CB ARG A 31 7.507 7.953 3.936 1.00 0.00 C ATOM 440 CG ARG A 31 7.867 9.227 4.705 1.00 0.00 C ATOM 441 CD ARG A 31 8.685 8.900 5.956 1.00 0.00 C ATOM 442 NE ARG A 31 8.966 10.139 6.715 1.00 0.00 N ATOM 443 CZ ARG A 31 9.842 10.216 7.739 1.00 0.00 C ATOM 444 NH1 ARG A 31 10.531 9.125 8.136 1.00 0.00 N ATOM 445 NH2 ARG A 31 10.014 11.375 8.348 1.00 0.00 N ATOM 0 H ARG A 31 5.470 7.174 5.180 1.00 0.00 H new ATOM 0 HA ARG A 31 5.895 9.060 3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.590 7.090 4.596 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.217 7.802 3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 31 8.435 9.897 4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.956 9.754 4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.139 8.195 6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.620 8.417 5.673 1.00 0.00 H new ATOM 0 HE ARG A 31 8.467 10.987 6.448 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.392 8.233 7.661 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.191 9.193 8.911 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.489 12.194 8.043 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.672 11.451 9.124 1.00 0.00 H new ATOM 455 N GLU A 32 6.276 5.828 2.423 1.00 0.00 N ATOM 456 CA GLU A 32 6.208 4.820 1.378 1.00 0.00 C ATOM 457 C GLU A 32 4.748 4.492 1.054 1.00 0.00 C ATOM 458 O GLU A 32 3.835 4.998 1.703 1.00 0.00 O ATOM 459 CB GLU A 32 6.976 3.560 1.780 1.00 0.00 C ATOM 460 CG GLU A 32 8.437 3.886 2.095 1.00 0.00 C ATOM 461 CD GLU A 32 8.702 3.824 3.601 1.00 0.00 C ATOM 462 OE1 GLU A 32 8.828 4.871 4.251 1.00 0.00 O ATOM 463 OE2 GLU A 32 8.775 2.634 4.092 1.00 0.00 O ATOM 0 H GLU A 32 6.574 5.479 3.334 1.00 0.00 H new ATOM 0 HA GLU A 32 6.679 5.221 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.505 3.105 2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.929 2.828 0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 32 9.090 3.182 1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 32 8.680 4.880 1.720 1.00 0.00 H new ATOM 469 N HIS A 33 4.576 3.647 0.047 1.00 0.00 N ATOM 470 CA HIS A 33 3.244 3.247 -0.372 1.00 0.00 C ATOM 471 C HIS A 33 3.275 1.798 -0.866 1.00 0.00 C ATOM 472 O HIS A 33 2.352 1.029 -0.605 1.00 0.00 O ATOM 473 CB HIS A 33 2.687 4.216 -1.417 1.00 0.00 C ATOM 474 CG HIS A 33 1.647 3.609 -2.327 1.00 0.00 C ATOM 475 ND1 HIS A 33 1.756 3.096 -3.587 1.00 0.00 N flip ATOM 476 CD2 HIS A 33 0.318 3.483 -1.967 1.00 0.00 C flip ATOM 477 CE1 HIS A 33 0.557 2.677 -3.974 1.00 0.00 C flip ATOM 478 NE2 HIS A 33 -0.336 2.916 -2.971 1.00 0.00 N flip ATOM 0 H HIS A 33 5.336 3.229 -0.490 1.00 0.00 H new ATOM 0 HA HIS A 33 2.564 3.292 0.479 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.251 5.074 -0.905 1.00 0.00 H new ATOM 0 HB3 HIS A 33 3.511 4.592 -2.024 1.00 0.00 H new ATOM 0 HD1 HIS A 33 2.613 3.043 -4.138 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.114 3.794 -1.027 1.00 0.00 H new ATOM 0 HE1 HIS A 33 0.327 2.222 -4.926 1.00 0.00 H new ATOM 485 N ILE A 34 4.349 1.470 -1.570 1.00 0.00 N ATOM 486 CA ILE A 34 4.513 0.129 -2.102 1.00 0.00 C ATOM 487 C ILE A 34 3.830 0.039 -3.468 1.00 0.00 C ATOM 488 O ILE A 34 3.105 0.950 -3.865 1.00 0.00 O ATOM 489 CB ILE A 34 4.014 -0.911 -1.096 1.00 0.00 C ATOM 490 CG1 ILE A 34 5.115 -1.919 -0.759 1.00 0.00 C ATOM 491 CG2 ILE A 34 2.744 -1.598 -1.602 1.00 0.00 C ATOM 492 CD1 ILE A 34 4.523 -3.297 -0.454 1.00 0.00 C ATOM 0 H ILE A 34 5.114 2.110 -1.784 1.00 0.00 H new ATOM 0 HA ILE A 34 5.569 -0.092 -2.258 1.00 0.00 H new ATOM 0 HB ILE A 34 3.755 -0.395 -0.171 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.811 -1.995 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.685 -1.566 0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.411 -2.332 -0.869 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.962 -0.853 -1.751 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.953 -2.099 -2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.327 -3.994 -0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.846 -3.222 0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.974 -3.658 -1.324 1.00 0.00 H new ATOM 503 N PRO A 35 4.093 -1.097 -4.169 1.00 0.00 N ATOM 504 CA PRO A 35 3.513 -1.317 -5.483 1.00 0.00 C ATOM 505 C PRO A 35 2.032 -1.686 -5.373 1.00 0.00 C ATOM 506 O PRO A 35 1.686 -2.864 -5.302 1.00 0.00 O ATOM 507 CB PRO A 35 4.355 -2.418 -6.106 1.00 0.00 C ATOM 508 CG PRO A 35 5.077 -3.094 -4.951 1.00 0.00 C ATOM 509 CD PRO A 35 4.947 -2.196 -3.731 1.00 0.00 C ATOM 0 HA PRO A 35 3.529 -0.422 -6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.730 -3.129 -6.646 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.065 -2.008 -6.824 1.00 0.00 H new ATOM 0 HG2 PRO A 35 4.644 -4.074 -4.751 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.127 -3.253 -5.198 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.504 -2.731 -2.891 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.920 -1.834 -3.401 1.00 0.00 H new ATOM 514 N GLU A 36 1.197 -0.657 -5.362 1.00 0.00 N ATOM 515 CA GLU A 36 -0.238 -0.859 -5.263 1.00 0.00 C ATOM 516 C GLU A 36 -0.613 -1.315 -3.851 1.00 0.00 C ATOM 517 O GLU A 36 -0.529 -2.500 -3.535 1.00 0.00 O ATOM 518 CB GLU A 36 -0.726 -1.861 -6.310 1.00 0.00 C ATOM 519 CG GLU A 36 -1.597 -1.174 -7.363 1.00 0.00 C ATOM 520 CD GLU A 36 -0.763 -0.239 -8.241 1.00 0.00 C ATOM 521 OE1 GLU A 36 0.460 -0.417 -8.349 1.00 0.00 O ATOM 522 OE2 GLU A 36 -1.428 0.700 -8.822 1.00 0.00 O ATOM 0 H GLU A 36 1.487 0.319 -5.420 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.733 0.092 -5.461 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.129 -2.333 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.295 -2.653 -5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.082 -1.926 -7.985 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.388 -0.608 -6.872 1.00 0.00 H new ATOM 528 N ALA A 37 -1.019 -0.348 -3.040 1.00 0.00 N ATOM 529 CA ALA A 37 -1.407 -0.636 -1.669 1.00 0.00 C ATOM 530 C ALA A 37 -2.561 0.284 -1.267 1.00 0.00 C ATOM 531 O ALA A 37 -2.573 1.462 -1.621 1.00 0.00 O ATOM 532 CB ALA A 37 -0.192 -0.483 -0.752 1.00 0.00 C ATOM 0 H ALA A 37 -1.088 0.634 -3.306 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.757 -1.664 -1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.483 -0.699 0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.588 -1.178 -1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.186 0.538 -0.816 1.00 0.00 H new ATOM 538 N ASP A 38 -3.505 -0.289 -0.533 1.00 0.00 N ATOM 539 CA ASP A 38 -4.660 0.464 -0.079 1.00 0.00 C ATOM 540 C ASP A 38 -4.596 0.621 1.442 1.00 0.00 C ATOM 541 O ASP A 38 -5.590 0.976 2.074 1.00 0.00 O ATOM 542 CB ASP A 38 -5.962 -0.262 -0.426 1.00 0.00 C ATOM 543 CG ASP A 38 -7.041 0.615 -1.064 1.00 0.00 C ATOM 544 OD1 ASP A 38 -7.123 0.733 -2.295 1.00 0.00 O ATOM 545 OD2 ASP A 38 -7.831 1.201 -0.229 1.00 0.00 O ATOM 0 H ASP A 38 -3.492 -1.267 -0.242 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.646 1.435 -0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.733 -1.082 -1.106 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.367 -0.706 0.484 1.00 0.00 H new ATOM 550 N LEU A 39 -3.418 0.349 1.983 1.00 0.00 N ATOM 551 CA LEU A 39 -3.213 0.454 3.417 1.00 0.00 C ATOM 552 C LEU A 39 -4.220 -0.442 4.141 1.00 0.00 C ATOM 553 O LEU A 39 -5.415 -0.151 4.158 1.00 0.00 O ATOM 554 CB LEU A 39 -3.263 1.918 3.860 1.00 0.00 C ATOM 555 CG LEU A 39 -3.155 2.169 5.365 1.00 0.00 C ATOM 556 CD1 LEU A 39 -2.190 1.177 6.017 1.00 0.00 C ATOM 557 CD2 LEU A 39 -2.766 3.620 5.653 1.00 0.00 C ATOM 0 H LEU A 39 -2.596 0.056 1.454 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.219 0.097 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.454 2.455 3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.198 2.352 3.506 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.136 2.005 5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.131 1.377 7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.550 0.161 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.201 1.286 5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.696 3.771 6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.802 3.836 5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.522 4.288 5.241 1.00 0.00 H new ATOM 568 N ALA A 40 -3.700 -1.513 4.722 1.00 0.00 N ATOM 569 CA ALA A 40 -4.539 -2.454 5.444 1.00 0.00 C ATOM 570 C ALA A 40 -3.680 -3.239 6.438 1.00 0.00 C ATOM 571 O ALA A 40 -3.279 -4.368 6.160 1.00 0.00 O ATOM 572 CB ALA A 40 -5.259 -3.366 4.449 1.00 0.00 C ATOM 0 H ALA A 40 -2.708 -1.750 4.707 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.304 -1.926 6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.888 -4.072 4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.879 -2.763 3.785 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.524 -3.914 3.860 1.00 0.00 H new ATOM 578 N PRO A 41 -3.414 -2.592 7.604 1.00 0.00 N ATOM 579 CA PRO A 41 -2.610 -3.217 8.640 1.00 0.00 C ATOM 580 C PRO A 41 -3.407 -4.296 9.377 1.00 0.00 C ATOM 581 O PRO A 41 -4.635 -4.244 9.421 1.00 0.00 O ATOM 582 CB PRO A 41 -2.177 -2.076 9.545 1.00 0.00 C ATOM 583 CG PRO A 41 -3.131 -0.928 9.252 1.00 0.00 C ATOM 584 CD PRO A 41 -3.873 -1.255 7.967 1.00 0.00 C ATOM 0 HA PRO A 41 -1.742 -3.741 8.240 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.228 -2.368 10.594 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -1.145 -1.788 9.344 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.833 -0.796 10.075 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.582 0.008 9.148 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.952 -1.234 8.117 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.646 -0.532 7.184 1.00 0.00 H new ATOM 589 N LEU A 42 -2.675 -5.247 9.939 1.00 0.00 N ATOM 590 CA LEU A 42 -3.298 -6.335 10.672 1.00 0.00 C ATOM 591 C LEU A 42 -4.416 -5.776 11.554 1.00 0.00 C ATOM 592 O LEU A 42 -5.548 -6.255 11.506 1.00 0.00 O ATOM 593 CB LEU A 42 -2.245 -7.133 11.445 1.00 0.00 C ATOM 594 CG LEU A 42 -2.448 -8.648 11.486 1.00 0.00 C ATOM 595 CD1 LEU A 42 -2.725 -9.203 10.087 1.00 0.00 C ATOM 596 CD2 LEU A 42 -1.260 -9.344 12.154 1.00 0.00 C ATOM 0 H LEU A 42 -1.656 -5.286 9.901 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.759 -7.043 9.983 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.269 -6.929 11.006 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.217 -6.762 12.470 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.327 -8.857 12.095 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.865 -10.282 10.145 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.626 -8.741 9.684 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.881 -8.982 9.434 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.431 -10.420 12.170 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.350 -9.129 11.593 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.152 -8.979 13.175 1.00 0.00 H new ATOM 607 N SER A 43 -4.059 -4.772 12.341 1.00 0.00 N ATOM 608 CA SER A 43 -5.018 -4.142 13.233 1.00 0.00 C ATOM 609 C SER A 43 -6.364 -3.980 12.523 1.00 0.00 C ATOM 610 O SER A 43 -7.411 -3.964 13.168 1.00 0.00 O ATOM 611 CB SER A 43 -4.507 -2.785 13.722 1.00 0.00 C ATOM 612 OG SER A 43 -4.516 -2.692 15.144 1.00 0.00 O ATOM 0 H SER A 43 -3.119 -4.379 12.380 1.00 0.00 H new ATOM 0 HA SER A 43 -5.149 -4.784 14.104 1.00 0.00 H new ATOM 0 HB2 SER A 43 -3.493 -2.626 13.355 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.126 -1.992 13.303 1.00 0.00 H new ATOM 0 HG SER A 43 -4.181 -1.812 15.416 1.00 0.00 H new ATOM 617 N VAL A 44 -6.291 -3.862 11.206 1.00 0.00 N ATOM 618 CA VAL A 44 -7.491 -3.701 10.401 1.00 0.00 C ATOM 619 C VAL A 44 -8.016 -5.078 9.994 1.00 0.00 C ATOM 620 O VAL A 44 -9.219 -5.328 10.043 1.00 0.00 O ATOM 621 CB VAL A 44 -7.200 -2.793 9.204 1.00 0.00 C ATOM 622 CG1 VAL A 44 -8.433 -2.658 8.307 1.00 0.00 C ATOM 623 CG2 VAL A 44 -6.703 -1.421 9.664 1.00 0.00 C ATOM 0 H VAL A 44 -5.420 -3.875 10.675 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.276 -3.213 10.979 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.407 -3.256 8.617 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -8.200 -2.008 7.464 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.724 -3.641 7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.255 -2.228 8.880 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.504 -0.796 8.794 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.464 -0.948 10.284 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.787 -1.541 10.242 1.00 0.00 H new ATOM 633 N LEU A 45 -7.087 -5.937 9.600 1.00 0.00 N ATOM 634 CA LEU A 45 -7.440 -7.284 9.184 1.00 0.00 C ATOM 635 C LEU A 45 -8.161 -7.995 10.331 1.00 0.00 C ATOM 636 O LEU A 45 -9.153 -8.688 10.112 1.00 0.00 O ATOM 637 CB LEU A 45 -6.205 -8.030 8.677 1.00 0.00 C ATOM 638 CG LEU A 45 -5.593 -7.508 7.376 1.00 0.00 C ATOM 639 CD1 LEU A 45 -5.948 -8.420 6.199 1.00 0.00 C ATOM 640 CD2 LEU A 45 -6.003 -6.057 7.120 1.00 0.00 C ATOM 0 H LEU A 45 -6.090 -5.726 9.560 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.132 -7.253 8.342 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.441 -7.997 9.454 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.471 -9.078 8.536 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.508 -7.522 7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.501 -8.027 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.565 -9.423 6.388 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.031 -8.461 6.084 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.554 -5.711 6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.089 -5.993 7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.659 -5.431 7.943 1.00 0.00 H new ATOM 651 N GLU A 46 -7.633 -7.799 11.531 1.00 0.00 N ATOM 652 CA GLU A 46 -8.214 -8.413 12.713 1.00 0.00 C ATOM 653 C GLU A 46 -9.470 -7.654 13.142 1.00 0.00 C ATOM 654 O GLU A 46 -10.397 -8.244 13.695 1.00 0.00 O ATOM 655 CB GLU A 46 -7.195 -8.477 13.853 1.00 0.00 C ATOM 656 CG GLU A 46 -6.572 -9.871 13.954 1.00 0.00 C ATOM 657 CD GLU A 46 -6.755 -10.453 15.356 1.00 0.00 C ATOM 658 OE1 GLU A 46 -7.896 -10.650 15.803 1.00 0.00 O ATOM 659 OE2 GLU A 46 -5.659 -10.706 15.989 1.00 0.00 O ATOM 0 H GLU A 46 -6.810 -7.224 11.710 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.499 -9.436 12.466 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.413 -7.736 13.688 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.681 -8.223 14.795 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.031 -10.532 13.219 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.510 -9.817 13.715 1.00 0.00 H new ATOM 665 N GLN A 47 -9.460 -6.357 12.873 1.00 0.00 N ATOM 666 CA GLN A 47 -10.589 -5.511 13.225 1.00 0.00 C ATOM 667 C GLN A 47 -11.756 -5.757 12.266 1.00 0.00 C ATOM 668 O GLN A 47 -12.916 -5.722 12.673 1.00 0.00 O ATOM 669 CB GLN A 47 -10.186 -4.034 13.230 1.00 0.00 C ATOM 670 CG GLN A 47 -9.572 -3.639 14.575 1.00 0.00 C ATOM 671 CD GLN A 47 -10.650 -3.506 15.652 1.00 0.00 C ATOM 672 OE1 GLN A 47 -11.790 -3.906 15.479 1.00 0.00 O ATOM 673 NE2 GLN A 47 -10.228 -2.922 16.770 1.00 0.00 N ATOM 0 H GLN A 47 -8.689 -5.871 12.416 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.912 -5.770 14.233 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.470 -3.846 12.430 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.060 -3.414 13.029 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.840 -4.388 14.879 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.038 -2.695 14.472 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.260 -2.611 16.849 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.872 -2.786 17.549 1.00 0.00 H new ATOM 680 N SER A 48 -11.408 -6.001 11.011 1.00 0.00 N ATOM 681 CA SER A 48 -12.412 -6.252 9.992 1.00 0.00 C ATOM 682 C SER A 48 -11.996 -7.446 9.129 1.00 0.00 C ATOM 683 O SER A 48 -12.604 -8.512 9.203 1.00 0.00 O ATOM 684 CB SER A 48 -12.632 -5.016 9.117 1.00 0.00 C ATOM 685 OG SER A 48 -14.015 -4.755 8.900 1.00 0.00 O ATOM 0 H SER A 48 -10.445 -6.030 10.677 1.00 0.00 H new ATOM 0 HA SER A 48 -13.353 -6.482 10.491 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.170 -4.150 9.590 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.135 -5.158 8.157 1.00 0.00 H new ATOM 0 HG SER A 48 -14.113 -3.958 8.339 1.00 0.00 H new ATOM 690 N GLY A 49 -10.961 -7.225 8.333 1.00 0.00 N ATOM 691 CA GLY A 49 -10.455 -8.269 7.458 1.00 0.00 C ATOM 692 C GLY A 49 -10.358 -7.774 6.013 1.00 0.00 C ATOM 693 O GLY A 49 -10.546 -6.588 5.744 1.00 0.00 O ATOM 0 H GLY A 49 -10.459 -6.339 8.275 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.473 -8.592 7.802 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.111 -9.138 7.505 1.00 0.00 H new ATOM 697 N LEU A 50 -10.065 -8.708 5.120 1.00 0.00 N ATOM 698 CA LEU A 50 -9.942 -8.382 3.709 1.00 0.00 C ATOM 699 C LEU A 50 -11.059 -7.414 3.314 1.00 0.00 C ATOM 700 O LEU A 50 -12.237 -7.758 3.386 1.00 0.00 O ATOM 701 CB LEU A 50 -9.905 -9.658 2.865 1.00 0.00 C ATOM 702 CG LEU A 50 -9.722 -9.460 1.359 1.00 0.00 C ATOM 703 CD1 LEU A 50 -9.460 -10.796 0.659 1.00 0.00 C ATOM 704 CD2 LEU A 50 -10.914 -8.719 0.753 1.00 0.00 C ATOM 0 H LEU A 50 -9.909 -9.690 5.346 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.997 -7.874 3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.094 -10.288 3.230 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.833 -10.206 3.029 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.843 -8.835 1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.333 -10.628 -0.410 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.555 -11.248 1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.305 -11.465 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.757 -8.592 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.824 -9.295 0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.012 -7.741 1.224 1.00 0.00 H new ATOM 715 N PRO A 51 -10.637 -6.191 2.893 1.00 0.00 N ATOM 716 CA PRO A 51 -11.589 -5.171 2.486 1.00 0.00 C ATOM 717 C PRO A 51 -12.171 -5.484 1.106 1.00 0.00 C ATOM 718 O PRO A 51 -11.429 -5.739 0.159 1.00 0.00 O ATOM 719 CB PRO A 51 -10.807 -3.868 2.519 1.00 0.00 C ATOM 720 CG PRO A 51 -9.339 -4.262 2.491 1.00 0.00 C ATOM 721 CD PRO A 51 -9.250 -5.749 2.794 1.00 0.00 C ATOM 0 HA PRO A 51 -12.456 -5.117 3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.059 -3.240 1.665 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.041 -3.295 3.416 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.904 -4.044 1.516 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.776 -3.688 3.227 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.720 -6.283 2.005 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.709 -5.932 3.722 1.00 0.00 H new ATOM 726 N ALA A 52 -13.494 -5.454 1.036 1.00 0.00 N ATOM 727 CA ALA A 52 -14.184 -5.732 -0.212 1.00 0.00 C ATOM 728 C ALA A 52 -13.421 -5.082 -1.367 1.00 0.00 C ATOM 729 O ALA A 52 -12.955 -5.772 -2.274 1.00 0.00 O ATOM 730 CB ALA A 52 -15.628 -5.236 -0.117 1.00 0.00 C ATOM 0 H ALA A 52 -14.106 -5.241 1.824 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.218 -6.805 -0.401 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.147 -5.444 -1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.135 -5.748 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.632 -4.162 0.069 1.00 0.00 H new ATOM 736 N LYS A 53 -13.314 -3.763 -1.297 1.00 0.00 N ATOM 737 CA LYS A 53 -12.613 -3.014 -2.326 1.00 0.00 C ATOM 738 C LYS A 53 -11.383 -3.802 -2.778 1.00 0.00 C ATOM 739 O LYS A 53 -11.221 -4.079 -3.966 1.00 0.00 O ATOM 740 CB LYS A 53 -12.292 -1.601 -1.835 1.00 0.00 C ATOM 741 CG LYS A 53 -11.880 -1.613 -0.361 1.00 0.00 C ATOM 742 CD LYS A 53 -12.835 -0.766 0.482 1.00 0.00 C ATOM 743 CE LYS A 53 -12.422 0.707 0.464 1.00 0.00 C ATOM 744 NZ LYS A 53 -13.585 1.567 0.146 1.00 0.00 N ATOM 0 H LYS A 53 -13.701 -3.194 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.248 -2.886 -3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.489 -1.177 -2.437 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.163 -0.959 -1.968 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.873 -2.638 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.864 -1.231 -0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.851 -0.867 0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.843 -1.133 1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.009 0.987 1.433 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.635 0.861 -0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.288 2.564 0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -13.961 1.310 -0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.324 1.432 0.866 1.00 0.00 H new ATOM 753 N LEU A 54 -10.549 -4.143 -1.807 1.00 0.00 N ATOM 754 CA LEU A 54 -9.338 -4.895 -2.090 1.00 0.00 C ATOM 755 C LEU A 54 -9.621 -6.390 -1.931 1.00 0.00 C ATOM 756 O LEU A 54 -8.869 -7.101 -1.266 1.00 0.00 O ATOM 757 CB LEU A 54 -8.180 -4.392 -1.224 1.00 0.00 C ATOM 758 CG LEU A 54 -7.973 -2.877 -1.195 1.00 0.00 C ATOM 759 CD1 LEU A 54 -8.549 -2.221 -2.452 1.00 0.00 C ATOM 760 CD2 LEU A 54 -8.550 -2.269 0.085 1.00 0.00 C ATOM 0 H LEU A 54 -10.688 -3.912 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 54 -9.025 -4.738 -3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.340 -4.736 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.260 -4.858 -1.577 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.901 -2.679 -1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -8.389 -1.144 -2.406 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.051 -2.625 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.618 -2.426 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.389 -1.191 0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.619 -2.476 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.053 -2.706 0.951 1.00 0.00 H new ATOM 771 N ARG A 55 -10.709 -6.822 -2.551 1.00 0.00 N ATOM 772 CA ARG A 55 -11.102 -8.220 -2.486 1.00 0.00 C ATOM 773 C ARG A 55 -11.004 -8.863 -3.871 1.00 0.00 C ATOM 774 O ARG A 55 -11.476 -9.980 -4.075 1.00 0.00 O ATOM 775 CB ARG A 55 -12.532 -8.366 -1.964 1.00 0.00 C ATOM 776 CG ARG A 55 -13.551 -8.125 -3.079 1.00 0.00 C ATOM 777 CD ARG A 55 -14.243 -9.430 -3.480 1.00 0.00 C ATOM 778 NE ARG A 55 -13.858 -9.803 -4.860 1.00 0.00 N ATOM 779 CZ ARG A 55 -14.492 -10.741 -5.596 1.00 0.00 C ATOM 780 NH1 ARG A 55 -15.549 -11.408 -5.090 1.00 0.00 N ATOM 781 NH2 ARG A 55 -14.062 -10.994 -6.818 1.00 0.00 N ATOM 0 H ARG A 55 -11.331 -6.229 -3.101 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.423 -8.724 -1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.671 -9.364 -1.549 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.701 -7.657 -1.153 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.295 -7.402 -2.746 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.052 -7.693 -3.946 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.966 -10.226 -2.789 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.325 -9.313 -3.414 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.064 -9.321 -5.281 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.875 -11.205 -4.145 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.023 -12.115 -5.652 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.262 -10.484 -7.193 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.530 -11.699 -7.387 1.00 0.00 H new ATOM 791 N HIS A 56 -10.388 -8.130 -4.787 1.00 0.00 N ATOM 792 CA HIS A 56 -10.223 -8.616 -6.147 1.00 0.00 C ATOM 793 C HIS A 56 -9.899 -10.110 -6.122 1.00 0.00 C ATOM 794 O HIS A 56 -9.358 -10.617 -5.139 1.00 0.00 O ATOM 795 CB HIS A 56 -9.169 -7.794 -6.892 1.00 0.00 C ATOM 796 CG HIS A 56 -8.982 -8.199 -8.335 1.00 0.00 C ATOM 797 ND1 HIS A 56 -9.864 -7.835 -9.337 1.00 0.00 N ATOM 798 CD2 HIS A 56 -8.006 -8.941 -8.932 1.00 0.00 C ATOM 799 CE1 HIS A 56 -9.428 -8.340 -10.482 1.00 0.00 C ATOM 800 NE2 HIS A 56 -8.277 -9.025 -10.229 1.00 0.00 N ATOM 0 H HIS A 56 -9.997 -7.204 -4.614 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.155 -8.491 -6.698 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -9.450 -6.742 -6.854 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -8.215 -7.888 -6.372 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -7.157 -9.385 -8.434 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -9.901 -8.228 -11.446 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -7.716 -9.521 -10.922 1.00 0.00 H new ATOM 807 N GLU A 57 -10.243 -10.777 -7.214 1.00 0.00 N ATOM 808 CA GLU A 57 -9.996 -12.203 -7.330 1.00 0.00 C ATOM 809 C GLU A 57 -8.675 -12.570 -6.653 1.00 0.00 C ATOM 810 O GLU A 57 -8.653 -13.368 -5.717 1.00 0.00 O ATOM 811 CB GLU A 57 -10.002 -12.644 -8.796 1.00 0.00 C ATOM 812 CG GLU A 57 -11.064 -13.718 -9.041 1.00 0.00 C ATOM 813 CD GLU A 57 -12.412 -13.086 -9.391 1.00 0.00 C ATOM 814 OE1 GLU A 57 -12.659 -11.920 -9.048 1.00 0.00 O ATOM 815 OE2 GLU A 57 -13.219 -13.851 -10.046 1.00 0.00 O ATOM 0 H GLU A 57 -10.691 -10.355 -8.027 1.00 0.00 H new ATOM 0 HA GLU A 57 -10.802 -12.733 -6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.195 -11.784 -9.437 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.020 -13.030 -9.067 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.744 -14.373 -9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.170 -14.340 -8.152 1.00 0.00 H new ATOM 821 N GLN A 58 -7.604 -11.969 -7.152 1.00 0.00 N ATOM 822 CA GLN A 58 -6.281 -12.223 -6.607 1.00 0.00 C ATOM 823 C GLN A 58 -5.755 -10.978 -5.892 1.00 0.00 C ATOM 824 O GLN A 58 -5.921 -9.861 -6.379 1.00 0.00 O ATOM 825 CB GLN A 58 -5.315 -12.676 -7.702 1.00 0.00 C ATOM 826 CG GLN A 58 -5.552 -14.142 -8.072 1.00 0.00 C ATOM 827 CD GLN A 58 -5.716 -14.306 -9.584 1.00 0.00 C ATOM 828 OE1 GLN A 58 -5.429 -13.415 -10.366 1.00 0.00 O ATOM 829 NE2 GLN A 58 -6.194 -15.493 -9.950 1.00 0.00 N ATOM 0 H GLN A 58 -7.626 -11.307 -7.928 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.357 -13.031 -5.880 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.441 -12.050 -8.585 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.288 -12.545 -7.362 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.715 -14.748 -7.726 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.444 -14.510 -7.564 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.414 -16.194 -9.243 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.341 -15.701 -10.938 1.00 0.00 H new ATOM 836 N ILE A 59 -5.130 -11.211 -4.747 1.00 0.00 N ATOM 837 CA ILE A 59 -4.578 -10.122 -3.960 1.00 0.00 C ATOM 838 C ILE A 59 -3.193 -10.521 -3.445 1.00 0.00 C ATOM 839 O ILE A 59 -2.804 -11.684 -3.539 1.00 0.00 O ATOM 840 CB ILE A 59 -5.551 -9.714 -2.852 1.00 0.00 C ATOM 841 CG1 ILE A 59 -5.026 -10.135 -1.477 1.00 0.00 C ATOM 842 CG2 ILE A 59 -6.953 -10.266 -3.122 1.00 0.00 C ATOM 843 CD1 ILE A 59 -5.983 -9.697 -0.367 1.00 0.00 C ATOM 0 H ILE A 59 -4.994 -12.139 -4.346 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.445 -9.235 -4.579 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.627 -8.627 -2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.900 -11.217 -1.448 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.043 -9.695 -1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.625 -9.961 -2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.321 -9.876 -4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.913 -11.354 -3.168 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.586 -10.009 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.087 -8.612 -0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.958 -10.158 -0.525 1.00 0.00 H new ATOM 854 N ILE A 60 -2.488 -9.533 -2.913 1.00 0.00 N ATOM 855 CA ILE A 60 -1.155 -9.768 -2.383 1.00 0.00 C ATOM 856 C ILE A 60 -1.060 -9.180 -0.973 1.00 0.00 C ATOM 857 O ILE A 60 -1.856 -8.318 -0.602 1.00 0.00 O ATOM 858 CB ILE A 60 -0.094 -9.231 -3.346 1.00 0.00 C ATOM 859 CG1 ILE A 60 -0.161 -9.953 -4.694 1.00 0.00 C ATOM 860 CG2 ILE A 60 1.302 -9.308 -2.723 1.00 0.00 C ATOM 861 CD1 ILE A 60 1.112 -9.712 -5.507 1.00 0.00 C ATOM 0 H ILE A 60 -2.814 -8.569 -2.838 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.962 -10.837 -2.296 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.305 -8.178 -3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.297 -11.022 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.027 -9.603 -5.255 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.037 -8.920 -3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.326 -8.713 -1.810 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.538 -10.346 -2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.039 -10.236 -6.460 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.231 -8.644 -5.688 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.974 -10.085 -4.953 1.00 0.00 H new ATOM 872 N PHE A 61 -0.080 -9.669 -0.228 1.00 0.00 N ATOM 873 CA PHE A 61 0.128 -9.202 1.133 1.00 0.00 C ATOM 874 C PHE A 61 1.544 -8.650 1.311 1.00 0.00 C ATOM 875 O PHE A 61 2.413 -8.877 0.471 1.00 0.00 O ATOM 876 CB PHE A 61 -0.055 -10.410 2.053 1.00 0.00 C ATOM 877 CG PHE A 61 -1.454 -10.522 2.661 1.00 0.00 C ATOM 878 CD1 PHE A 61 -2.552 -10.381 1.872 1.00 0.00 C ATOM 879 CD2 PHE A 61 -1.600 -10.763 3.992 1.00 0.00 C ATOM 880 CE1 PHE A 61 -3.852 -10.485 2.437 1.00 0.00 C ATOM 881 CE2 PHE A 61 -2.898 -10.866 4.557 1.00 0.00 C ATOM 882 CZ PHE A 61 -3.996 -10.725 3.768 1.00 0.00 C ATOM 0 H PHE A 61 0.578 -10.383 -0.540 1.00 0.00 H new ATOM 0 HA PHE A 61 -0.577 -8.404 1.365 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.159 -11.318 1.490 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.677 -10.354 2.859 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.436 -10.190 0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.728 -10.876 4.619 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.724 -10.374 1.810 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.013 -11.056 5.614 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.983 -10.804 4.198 1.00 0.00 H new ATOM 891 N HIS A 62 1.732 -7.936 2.411 1.00 0.00 N ATOM 892 CA HIS A 62 3.027 -7.349 2.711 1.00 0.00 C ATOM 893 C HIS A 62 2.961 -6.620 4.054 1.00 0.00 C ATOM 894 O HIS A 62 1.891 -6.186 4.478 1.00 0.00 O ATOM 895 CB HIS A 62 3.492 -6.446 1.568 1.00 0.00 C ATOM 896 CG HIS A 62 3.304 -4.971 1.834 1.00 0.00 C ATOM 897 ND1 HIS A 62 2.088 -4.329 1.671 1.00 0.00 N ATOM 898 CD2 HIS A 62 4.187 -4.021 2.253 1.00 0.00 C ATOM 899 CE1 HIS A 62 2.246 -3.051 1.981 1.00 0.00 C ATOM 900 NE2 HIS A 62 3.547 -2.862 2.341 1.00 0.00 N ATOM 0 H HIS A 62 1.009 -7.751 3.106 1.00 0.00 H new ATOM 0 HA HIS A 62 3.775 -8.136 2.801 1.00 0.00 H new ATOM 0 HB2 HIS A 62 4.547 -6.638 1.373 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.947 -6.714 0.663 1.00 0.00 H new ATOM 0 HD1 HIS A 62 1.219 -4.766 1.364 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.231 -4.184 2.476 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.478 -2.292 1.953 1.00 0.00 H new ATOM 907 N CYS A 63 4.120 -6.507 4.687 1.00 0.00 N ATOM 908 CA CYS A 63 4.208 -5.837 5.973 1.00 0.00 C ATOM 909 C CYS A 63 5.527 -5.062 6.022 1.00 0.00 C ATOM 910 O CYS A 63 6.362 -5.306 6.892 1.00 0.00 O ATOM 911 CB CYS A 63 4.082 -6.825 7.135 1.00 0.00 C ATOM 912 SG CYS A 63 4.357 -5.959 8.724 1.00 0.00 S ATOM 0 H CYS A 63 5.006 -6.868 4.333 1.00 0.00 H new ATOM 0 HA CYS A 63 3.376 -5.142 6.082 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.093 -7.284 7.128 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.808 -7.630 7.019 1.00 0.00 H new ATOM 0 HG CYS A 63 5.419 -5.215 8.635 1.00 0.00 H new ATOM 986 N THR A 69 6.031 -12.683 6.760 1.00 0.00 N ATOM 987 CA THR A 69 4.603 -12.724 6.488 1.00 0.00 C ATOM 988 C THR A 69 4.081 -14.158 6.589 1.00 0.00 C ATOM 989 O THR A 69 2.935 -14.379 6.978 1.00 0.00 O ATOM 990 CB THR A 69 4.366 -12.085 5.118 1.00 0.00 C ATOM 991 OG1 THR A 69 5.510 -11.260 4.915 1.00 0.00 O ATOM 992 CG2 THR A 69 3.194 -11.101 5.125 1.00 0.00 C ATOM 0 HA THR A 69 4.042 -12.156 7.230 1.00 0.00 H new ATOM 0 HB THR A 69 4.180 -12.867 4.382 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.313 -11.733 5.219 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.069 -10.676 4.129 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.282 -11.624 5.413 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.395 -10.301 5.838 1.00 0.00 H new ATOM 1000 N SER A 70 4.948 -15.095 6.233 1.00 0.00 N ATOM 1001 CA SER A 70 4.588 -16.502 6.279 1.00 0.00 C ATOM 1002 C SER A 70 4.522 -16.979 7.731 1.00 0.00 C ATOM 1003 O SER A 70 4.105 -18.103 8.001 1.00 0.00 O ATOM 1004 CB SER A 70 5.585 -17.351 5.486 1.00 0.00 C ATOM 1005 OG SER A 70 6.930 -16.927 5.693 1.00 0.00 O ATOM 0 H SER A 70 5.898 -14.907 5.912 1.00 0.00 H new ATOM 0 HA SER A 70 3.606 -16.619 5.821 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.485 -18.396 5.779 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.346 -17.294 4.424 1.00 0.00 H new ATOM 0 HG SER A 70 7.536 -17.494 5.172 1.00 0.00 H new ATOM 1010 N ASN A 71 4.941 -16.098 8.628 1.00 0.00 N ATOM 1011 CA ASN A 71 4.934 -16.415 10.047 1.00 0.00 C ATOM 1012 C ASN A 71 3.510 -16.767 10.480 1.00 0.00 C ATOM 1013 O ASN A 71 3.304 -17.709 11.242 1.00 0.00 O ATOM 1014 CB ASN A 71 5.401 -15.219 10.880 1.00 0.00 C ATOM 1015 CG ASN A 71 6.913 -15.021 10.758 1.00 0.00 C ATOM 1016 OD1 ASN A 71 7.641 -15.880 10.286 1.00 0.00 O ATOM 1017 ND2 ASN A 71 7.343 -13.846 11.207 1.00 0.00 N ATOM 0 H ASN A 71 5.287 -15.166 8.400 1.00 0.00 H new ATOM 0 HA ASN A 71 5.611 -17.254 10.209 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.885 -14.318 10.549 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.134 -15.373 11.926 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.336 -13.618 11.169 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.679 -13.172 11.590 1.00 0.00 H new ATOM 1023 N ASN A 72 2.564 -15.988 9.976 1.00 0.00 N ATOM 1024 CA ASN A 72 1.164 -16.205 10.302 1.00 0.00 C ATOM 1025 C ASN A 72 0.315 -16.000 9.046 1.00 0.00 C ATOM 1026 O ASN A 72 -0.829 -15.557 9.132 1.00 0.00 O ATOM 1027 CB ASN A 72 0.685 -15.215 11.365 1.00 0.00 C ATOM 1028 CG ASN A 72 1.478 -15.378 12.662 1.00 0.00 C ATOM 1029 OD1 ASN A 72 1.092 -16.095 13.571 1.00 0.00 O ATOM 1030 ND2 ASN A 72 2.605 -14.672 12.700 1.00 0.00 N ATOM 0 H ASN A 72 2.739 -15.206 9.345 1.00 0.00 H new ATOM 0 HA ASN A 72 1.060 -17.221 10.684 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.794 -14.196 10.994 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -0.376 -15.371 11.561 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.204 -14.711 13.525 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.870 -14.091 11.904 1.00 0.00 H new ATOM 1036 N ALA A 73 0.908 -16.330 7.909 1.00 0.00 N ATOM 1037 CA ALA A 73 0.220 -16.186 6.636 1.00 0.00 C ATOM 1038 C ALA A 73 -0.957 -17.162 6.585 1.00 0.00 C ATOM 1039 O ALA A 73 -1.903 -16.958 5.825 1.00 0.00 O ATOM 1040 CB ALA A 73 1.211 -16.406 5.492 1.00 0.00 C ATOM 0 H ALA A 73 1.857 -16.697 7.842 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.182 -15.179 6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.695 -16.298 4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.011 -15.669 5.557 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.634 -17.408 5.564 1.00 0.00 H new ATOM 1046 N ASP A 74 -0.861 -18.199 7.403 1.00 0.00 N ATOM 1047 CA ASP A 74 -1.906 -19.207 7.460 1.00 0.00 C ATOM 1048 C ASP A 74 -3.253 -18.524 7.700 1.00 0.00 C ATOM 1049 O ASP A 74 -4.159 -18.620 6.872 1.00 0.00 O ATOM 1050 CB ASP A 74 -1.662 -20.188 8.608 1.00 0.00 C ATOM 1051 CG ASP A 74 -2.614 -21.385 8.648 1.00 0.00 C ATOM 1052 OD1 ASP A 74 -2.257 -22.500 8.238 1.00 0.00 O ATOM 1053 OD2 ASP A 74 -3.784 -21.136 9.132 1.00 0.00 O ATOM 0 H ASP A 74 -0.075 -18.363 8.032 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.904 -19.750 6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.639 -20.558 8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.742 -19.648 9.551 1.00 0.00 H new ATOM 1058 N LYS A 75 -3.346 -17.849 8.837 1.00 0.00 N ATOM 1059 CA LYS A 75 -4.567 -17.151 9.196 1.00 0.00 C ATOM 1060 C LYS A 75 -4.900 -16.123 8.112 1.00 0.00 C ATOM 1061 O LYS A 75 -6.047 -16.019 7.682 1.00 0.00 O ATOM 1062 CB LYS A 75 -4.449 -16.550 10.598 1.00 0.00 C ATOM 1063 CG LYS A 75 -5.403 -17.241 11.574 1.00 0.00 C ATOM 1064 CD LYS A 75 -6.850 -17.145 11.088 1.00 0.00 C ATOM 1065 CE LYS A 75 -7.575 -18.482 11.255 1.00 0.00 C ATOM 1066 NZ LYS A 75 -8.934 -18.270 11.802 1.00 0.00 N ATOM 0 H LYS A 75 -2.594 -17.771 9.522 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.404 -17.848 9.243 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.424 -16.649 10.955 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.672 -15.484 10.560 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.121 -18.288 11.683 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.316 -16.783 12.559 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.375 -16.371 11.648 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.866 -16.847 10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.639 -18.990 10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.006 -19.130 11.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.412 -19.187 11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.866 -17.805 12.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.480 -17.669 11.152 1.00 0.00 H new ATOM 1075 N LEU A 76 -3.876 -15.390 7.703 1.00 0.00 N ATOM 1076 CA LEU A 76 -4.044 -14.375 6.678 1.00 0.00 C ATOM 1077 C LEU A 76 -4.743 -14.992 5.465 1.00 0.00 C ATOM 1078 O LEU A 76 -5.493 -14.314 4.764 1.00 0.00 O ATOM 1079 CB LEU A 76 -2.702 -13.718 6.346 1.00 0.00 C ATOM 1080 CG LEU A 76 -2.070 -12.885 7.462 1.00 0.00 C ATOM 1081 CD1 LEU A 76 -0.702 -12.347 7.037 1.00 0.00 C ATOM 1082 CD2 LEU A 76 -3.011 -11.767 7.914 1.00 0.00 C ATOM 0 H LEU A 76 -2.926 -15.479 8.063 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.684 -13.571 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.998 -14.500 6.060 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.839 -13.078 5.475 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.908 -13.535 8.322 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.274 -11.758 7.849 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.039 -13.181 6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.817 -11.718 6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.536 -11.191 8.708 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.229 -11.112 7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.939 -12.201 8.286 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.472 -16.272 5.254 1.00 0.00 N ATOM 1094 CA ALA A 77 -5.066 -16.988 4.137 1.00 0.00 C ATOM 1095 C ALA A 77 -6.557 -17.196 4.405 1.00 0.00 C ATOM 1096 O ALA A 77 -7.390 -16.933 3.538 1.00 0.00 O ATOM 1097 CB ALA A 77 -4.323 -18.309 3.926 1.00 0.00 C ATOM 0 H ALA A 77 -3.850 -16.831 5.837 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.974 -16.410 3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.768 -18.847 3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.274 -18.106 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.398 -18.916 4.828 1.00 0.00 H new ATOM 1103 N ALA A 78 -6.851 -17.665 5.609 1.00 0.00 N ATOM 1104 CA ALA A 78 -8.228 -17.909 6.002 1.00 0.00 C ATOM 1105 C ALA A 78 -8.997 -16.587 6.000 1.00 0.00 C ATOM 1106 O ALA A 78 -10.224 -16.578 6.089 1.00 0.00 O ATOM 1107 CB ALA A 78 -8.254 -18.598 7.368 1.00 0.00 C ATOM 0 H ALA A 78 -6.158 -17.883 6.325 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.718 -18.575 5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.287 -18.781 7.663 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.720 -19.546 7.307 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -7.773 -17.958 8.108 1.00 0.00 H new ATOM 1113 N ILE A 79 -8.245 -15.502 5.900 1.00 0.00 N ATOM 1114 CA ILE A 79 -8.841 -14.176 5.886 1.00 0.00 C ATOM 1115 C ILE A 79 -9.150 -13.776 4.441 1.00 0.00 C ATOM 1116 O ILE A 79 -10.289 -13.447 4.116 1.00 0.00 O ATOM 1117 CB ILE A 79 -7.945 -13.178 6.623 1.00 0.00 C ATOM 1118 CG1 ILE A 79 -8.341 -13.070 8.096 1.00 0.00 C ATOM 1119 CG2 ILE A 79 -7.952 -11.816 5.925 1.00 0.00 C ATOM 1120 CD1 ILE A 79 -7.248 -12.371 8.908 1.00 0.00 C ATOM 0 H ILE A 79 -7.228 -15.513 5.828 1.00 0.00 H new ATOM 0 HA ILE A 79 -9.788 -14.178 6.426 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.921 -13.550 6.592 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.276 -12.516 8.185 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.520 -14.066 8.502 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.308 -11.125 6.469 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.585 -11.928 4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -8.969 -11.423 5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.555 -12.307 9.952 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.321 -12.940 8.836 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.088 -11.367 8.515 1.00 0.00 H new ATOM 1131 N ALA A 80 -8.115 -13.817 3.615 1.00 0.00 N ATOM 1132 CA ALA A 80 -8.262 -13.462 2.214 1.00 0.00 C ATOM 1133 C ALA A 80 -9.025 -14.573 1.489 1.00 0.00 C ATOM 1134 O ALA A 80 -9.910 -14.296 0.681 1.00 0.00 O ATOM 1135 CB ALA A 80 -6.882 -13.210 1.604 1.00 0.00 C ATOM 0 H ALA A 80 -7.171 -14.091 3.889 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.838 -12.543 2.109 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.992 -12.944 0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.393 -12.394 2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.277 -14.113 1.688 1.00 0.00 H new ATOM 1141 N ALA A 81 -8.656 -15.806 1.805 1.00 0.00 N ATOM 1142 CA ALA A 81 -9.295 -16.958 1.194 1.00 0.00 C ATOM 1143 C ALA A 81 -10.788 -16.674 1.016 1.00 0.00 C ATOM 1144 O ALA A 81 -11.360 -15.866 1.746 1.00 0.00 O ATOM 1145 CB ALA A 81 -9.035 -18.199 2.049 1.00 0.00 C ATOM 0 H ALA A 81 -7.922 -16.032 2.477 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.877 -17.150 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.515 -19.064 1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.961 -18.374 2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.443 -18.045 3.048 1.00 0.00 H new ATOM 1151 N PRO A 82 -11.391 -17.371 0.016 1.00 0.00 N ATOM 1152 CA PRO A 82 -10.639 -18.307 -0.801 1.00 0.00 C ATOM 1153 C PRO A 82 -9.751 -17.569 -1.806 1.00 0.00 C ATOM 1154 O PRO A 82 -8.957 -18.190 -2.511 1.00 0.00 O ATOM 1155 CB PRO A 82 -11.692 -19.179 -1.468 1.00 0.00 C ATOM 1156 CG PRO A 82 -12.997 -18.408 -1.367 1.00 0.00 C ATOM 1157 CD PRO A 82 -12.798 -17.285 -0.361 1.00 0.00 C ATOM 0 HA PRO A 82 -9.948 -18.914 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.434 -19.376 -2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.770 -20.146 -0.971 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.278 -18.004 -2.340 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.806 -19.066 -1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -13.032 -16.315 -0.799 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -13.448 -17.409 0.505 1.00 0.00 H new ATOM 1162 N ALA A 83 -9.914 -16.255 -1.837 1.00 0.00 N ATOM 1163 CA ALA A 83 -9.138 -15.426 -2.742 1.00 0.00 C ATOM 1164 C ALA A 83 -7.685 -15.905 -2.746 1.00 0.00 C ATOM 1165 O ALA A 83 -7.195 -16.420 -1.742 1.00 0.00 O ATOM 1166 CB ALA A 83 -9.266 -13.958 -2.328 1.00 0.00 C ATOM 0 H ALA A 83 -10.573 -15.744 -1.249 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.517 -15.512 -3.760 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.683 -13.336 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.313 -13.658 -2.370 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.893 -13.833 -1.312 1.00 0.00 H new ATOM 1172 N GLU A 84 -7.037 -15.720 -3.887 1.00 0.00 N ATOM 1173 CA GLU A 84 -5.650 -16.128 -4.034 1.00 0.00 C ATOM 1174 C GLU A 84 -4.716 -15.030 -3.521 1.00 0.00 C ATOM 1175 O GLU A 84 -4.737 -13.908 -4.025 1.00 0.00 O ATOM 1176 CB GLU A 84 -5.334 -16.480 -5.489 1.00 0.00 C ATOM 1177 CG GLU A 84 -6.117 -17.717 -5.936 1.00 0.00 C ATOM 1178 CD GLU A 84 -7.593 -17.382 -6.156 1.00 0.00 C ATOM 1179 OE1 GLU A 84 -8.429 -17.664 -5.285 1.00 0.00 O ATOM 1180 OE2 GLU A 84 -7.859 -16.806 -7.279 1.00 0.00 O ATOM 0 H GLU A 84 -7.447 -15.293 -4.718 1.00 0.00 H new ATOM 0 HA GLU A 84 -5.490 -17.024 -3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.581 -15.636 -6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.265 -16.662 -5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.688 -18.109 -6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.027 -18.500 -5.184 1.00 0.00 H new ATOM 1186 N ILE A 85 -3.921 -15.390 -2.526 1.00 0.00 N ATOM 1187 CA ILE A 85 -2.982 -14.450 -1.939 1.00 0.00 C ATOM 1188 C ILE A 85 -1.557 -14.842 -2.337 1.00 0.00 C ATOM 1189 O ILE A 85 -1.327 -15.951 -2.818 1.00 0.00 O ATOM 1190 CB ILE A 85 -3.193 -14.355 -0.427 1.00 0.00 C ATOM 1191 CG1 ILE A 85 -4.312 -13.367 -0.090 1.00 0.00 C ATOM 1192 CG2 ILE A 85 -1.886 -14.005 0.289 1.00 0.00 C ATOM 1193 CD1 ILE A 85 -5.467 -13.486 -1.088 1.00 0.00 C ATOM 0 H ILE A 85 -3.907 -16.321 -2.110 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.157 -13.446 -2.326 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.507 -15.334 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.678 -13.556 0.919 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.920 -12.350 -0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.064 -13.944 1.363 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.143 -14.777 0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.519 -13.045 -0.073 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.249 -12.773 -0.826 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -5.103 -13.272 -2.093 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.872 -14.497 -1.056 1.00 0.00 H new ATOM 1204 N PHE A 86 -0.640 -13.911 -2.122 1.00 0.00 N ATOM 1205 CA PHE A 86 0.756 -14.146 -2.452 1.00 0.00 C ATOM 1206 C PHE A 86 1.677 -13.290 -1.581 1.00 0.00 C ATOM 1207 O PHE A 86 1.388 -12.122 -1.325 1.00 0.00 O ATOM 1208 CB PHE A 86 0.942 -13.745 -3.917 1.00 0.00 C ATOM 1209 CG PHE A 86 0.019 -14.486 -4.887 1.00 0.00 C ATOM 1210 CD1 PHE A 86 0.326 -15.748 -5.288 1.00 0.00 C ATOM 1211 CD2 PHE A 86 -1.108 -13.881 -5.348 1.00 0.00 C ATOM 1212 CE1 PHE A 86 -0.530 -16.435 -6.188 1.00 0.00 C ATOM 1213 CE2 PHE A 86 -1.965 -14.568 -6.248 1.00 0.00 C ATOM 1214 CZ PHE A 86 -1.658 -15.831 -6.649 1.00 0.00 C ATOM 0 H PHE A 86 -0.836 -12.993 -1.724 1.00 0.00 H new ATOM 0 HA PHE A 86 1.008 -15.193 -2.281 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.769 -12.673 -4.014 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.977 -13.929 -4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 86 1.221 -16.228 -4.922 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -1.351 -12.878 -5.030 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -0.286 -17.438 -6.507 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.860 -14.088 -6.614 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.310 -16.354 -7.333 1.00 0.00 H new ATOM 1223 N LEU A 87 2.769 -13.905 -1.148 1.00 0.00 N ATOM 1224 CA LEU A 87 3.734 -13.213 -0.311 1.00 0.00 C ATOM 1225 C LEU A 87 4.764 -12.512 -1.199 1.00 0.00 C ATOM 1226 O LEU A 87 5.618 -13.163 -1.798 1.00 0.00 O ATOM 1227 CB LEU A 87 4.352 -14.178 0.703 1.00 0.00 C ATOM 1228 CG LEU A 87 4.123 -13.840 2.177 1.00 0.00 C ATOM 1229 CD1 LEU A 87 2.668 -13.434 2.427 1.00 0.00 C ATOM 1230 CD2 LEU A 87 4.558 -14.997 3.079 1.00 0.00 C ATOM 0 H LEU A 87 3.006 -14.874 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 87 3.242 -12.439 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.955 -15.175 0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.426 -14.223 0.524 1.00 0.00 H new ATOM 0 HG LEU A 87 4.745 -12.982 2.431 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.532 -13.199 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.426 -12.557 1.826 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.008 -14.256 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.385 -14.731 4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.981 -15.888 2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.619 -15.198 2.927 1.00 0.00 H new ATOM 1241 N LEU A 88 4.649 -11.194 -1.256 1.00 0.00 N ATOM 1242 CA LEU A 88 5.559 -10.397 -2.061 1.00 0.00 C ATOM 1243 C LEU A 88 7.002 -10.781 -1.722 1.00 0.00 C ATOM 1244 O LEU A 88 7.317 -11.062 -0.567 1.00 0.00 O ATOM 1245 CB LEU A 88 5.263 -8.906 -1.889 1.00 0.00 C ATOM 1246 CG LEU A 88 5.024 -8.116 -3.177 1.00 0.00 C ATOM 1247 CD1 LEU A 88 4.605 -6.677 -2.868 1.00 0.00 C ATOM 1248 CD2 LEU A 88 6.249 -8.173 -4.091 1.00 0.00 C ATOM 0 H LEU A 88 3.939 -10.657 -0.758 1.00 0.00 H new ATOM 0 HA LEU A 88 5.413 -10.606 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.383 -8.802 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.097 -8.450 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 88 4.199 -8.583 -3.716 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.441 -6.137 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.683 -6.683 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.391 -6.184 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.052 -7.603 -4.999 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.109 -7.746 -3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.460 -9.210 -4.352 1.00 0.00 H new ATOM 1259 N GLU A 89 7.838 -10.777 -2.750 1.00 0.00 N ATOM 1260 CA GLU A 89 9.238 -11.121 -2.576 1.00 0.00 C ATOM 1261 C GLU A 89 9.758 -10.572 -1.245 1.00 0.00 C ATOM 1262 O GLU A 89 10.655 -11.154 -0.638 1.00 0.00 O ATOM 1263 CB GLU A 89 10.079 -10.608 -3.746 1.00 0.00 C ATOM 1264 CG GLU A 89 11.201 -11.591 -4.089 1.00 0.00 C ATOM 1265 CD GLU A 89 12.556 -11.061 -3.617 1.00 0.00 C ATOM 1266 OE1 GLU A 89 12.618 -10.288 -2.649 1.00 0.00 O ATOM 1267 OE2 GLU A 89 13.571 -11.481 -4.294 1.00 0.00 O ATOM 0 H GLU A 89 7.572 -10.541 -3.706 1.00 0.00 H new ATOM 0 HA GLU A 89 9.325 -12.207 -2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.442 -10.459 -4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 89 10.506 -9.637 -3.493 1.00 0.00 H new ATOM 0 HG2 GLU A 89 11.000 -12.555 -3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.227 -11.758 -5.166 1.00 0.00 H new ATOM 1273 N ASP A 90 9.173 -9.457 -0.832 1.00 0.00 N ATOM 1274 CA ASP A 90 9.566 -8.823 0.414 1.00 0.00 C ATOM 1275 C ASP A 90 8.945 -7.427 0.489 1.00 0.00 C ATOM 1276 O ASP A 90 9.269 -6.557 -0.317 1.00 0.00 O ATOM 1277 CB ASP A 90 11.086 -8.671 0.499 1.00 0.00 C ATOM 1278 CG ASP A 90 11.722 -9.239 1.769 1.00 0.00 C ATOM 1279 OD1 ASP A 90 11.243 -8.997 2.888 1.00 0.00 O ATOM 1280 OD2 ASP A 90 12.768 -9.969 1.575 1.00 0.00 O ATOM 0 H ASP A 90 8.430 -8.977 -1.339 1.00 0.00 H new ATOM 0 HA ASP A 90 9.220 -9.450 1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.534 -9.162 -0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.335 -7.612 0.428 1.00 0.00 H new ATOM 1285 N GLY A 91 8.065 -7.256 1.464 1.00 0.00 N ATOM 1286 CA GLY A 91 7.397 -5.981 1.654 1.00 0.00 C ATOM 1287 C GLY A 91 8.380 -4.818 1.503 1.00 0.00 C ATOM 1288 O GLY A 91 9.047 -4.435 2.463 1.00 0.00 O ATOM 0 H GLY A 91 7.799 -7.980 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 91 6.591 -5.877 0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.940 -5.950 2.643 1.00 0.00 H new ATOM 1292 N ILE A 92 8.439 -4.289 0.289 1.00 0.00 N ATOM 1293 CA ILE A 92 9.330 -3.179 0.000 1.00 0.00 C ATOM 1294 C ILE A 92 10.732 -3.717 -0.293 1.00 0.00 C ATOM 1295 O ILE A 92 11.333 -3.375 -1.310 1.00 0.00 O ATOM 1296 CB ILE A 92 9.290 -2.150 1.132 1.00 0.00 C ATOM 1297 CG1 ILE A 92 8.931 -0.762 0.599 1.00 0.00 C ATOM 1298 CG2 ILE A 92 10.607 -2.143 1.911 1.00 0.00 C ATOM 1299 CD1 ILE A 92 7.523 -0.354 1.039 1.00 0.00 C ATOM 0 H ILE A 92 7.884 -4.609 -0.505 1.00 0.00 H new ATOM 0 HA ILE A 92 8.999 -2.649 -0.893 1.00 0.00 H new ATOM 0 HB ILE A 92 8.504 -2.439 1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 92 9.655 -0.031 0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 92 8.991 -0.759 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.553 -1.403 2.710 1.00 0.00 H new ATOM 0 HG22 ILE A 92 10.781 -3.129 2.341 1.00 0.00 H new ATOM 0 HG23 ILE A 92 11.427 -1.891 1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 92 7.292 0.637 0.647 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.799 -1.074 0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 92 7.473 -0.334 2.128 1.00 0.00 H new ATOM 1310 N ASP A 93 11.212 -4.552 0.617 1.00 0.00 N ATOM 1311 CA ASP A 93 12.532 -5.142 0.469 1.00 0.00 C ATOM 1312 C ASP A 93 12.606 -5.887 -0.866 1.00 0.00 C ATOM 1313 O ASP A 93 13.694 -6.131 -1.384 1.00 0.00 O ATOM 1314 CB ASP A 93 12.813 -6.147 1.588 1.00 0.00 C ATOM 1315 CG ASP A 93 13.849 -5.693 2.619 1.00 0.00 C ATOM 1316 OD1 ASP A 93 13.767 -4.580 3.158 1.00 0.00 O ATOM 1317 OD2 ASP A 93 14.782 -6.548 2.868 1.00 0.00 O ATOM 0 H ASP A 93 10.711 -4.834 1.459 1.00 0.00 H new ATOM 0 HA ASP A 93 13.268 -4.339 0.511 1.00 0.00 H new ATOM 0 HB2 ASP A 93 11.878 -6.363 2.105 1.00 0.00 H new ATOM 0 HB3 ASP A 93 13.153 -7.081 1.140 1.00 0.00 H new ATOM 1322 N GLY A 94 11.435 -6.227 -1.383 1.00 0.00 N ATOM 1323 CA GLY A 94 11.354 -6.938 -2.648 1.00 0.00 C ATOM 1324 C GLY A 94 10.966 -5.992 -3.786 1.00 0.00 C ATOM 1325 O GLY A 94 11.469 -6.118 -4.901 1.00 0.00 O ATOM 0 H GLY A 94 10.534 -6.024 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.314 -7.404 -2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 94 10.620 -7.741 -2.572 1.00 0.00 H new ATOM 1329 N TRP A 95 10.075 -5.066 -3.464 1.00 0.00 N ATOM 1330 CA TRP A 95 9.613 -4.098 -4.445 1.00 0.00 C ATOM 1331 C TRP A 95 10.825 -3.297 -4.925 1.00 0.00 C ATOM 1332 O TRP A 95 11.036 -3.146 -6.127 1.00 0.00 O ATOM 1333 CB TRP A 95 8.505 -3.217 -3.867 1.00 0.00 C ATOM 1334 CG TRP A 95 8.219 -1.958 -4.688 1.00 0.00 C ATOM 1335 CD1 TRP A 95 8.341 -0.679 -4.307 1.00 0.00 C ATOM 1336 CD2 TRP A 95 7.754 -1.910 -6.054 1.00 0.00 C ATOM 1337 NE1 TRP A 95 7.990 0.187 -5.323 1.00 0.00 N ATOM 1338 CE2 TRP A 95 7.623 -0.586 -6.418 1.00 0.00 C ATOM 1339 CE3 TRP A 95 7.456 -2.951 -6.951 1.00 0.00 C ATOM 1340 CZ2 TRP A 95 7.190 -0.179 -7.686 1.00 0.00 C ATOM 1341 CZ3 TRP A 95 7.024 -2.528 -8.214 1.00 0.00 C ATOM 1342 CH2 TRP A 95 6.886 -1.199 -8.596 1.00 0.00 C ATOM 0 H TRP A 95 9.660 -4.965 -2.538 1.00 0.00 H new ATOM 0 HA TRP A 95 9.166 -4.601 -5.302 1.00 0.00 H new ATOM 0 HB2 TRP A 95 7.590 -3.805 -3.791 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.780 -2.923 -2.854 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.672 -0.365 -3.328 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.998 1.206 -5.278 1.00 0.00 H new ATOM 0 HE3 TRP A 95 7.553 -3.994 -6.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.096 0.865 -7.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.781 -3.288 -8.942 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.546 -0.954 -9.591 1.00 0.00 H new ATOM 1352 N LYS A 96 11.589 -2.805 -3.961 1.00 0.00 N ATOM 1353 CA LYS A 96 12.773 -2.023 -4.271 1.00 0.00 C ATOM 1354 C LYS A 96 13.837 -2.937 -4.883 1.00 0.00 C ATOM 1355 O LYS A 96 14.644 -2.497 -5.700 1.00 0.00 O ATOM 1356 CB LYS A 96 13.253 -1.264 -3.033 1.00 0.00 C ATOM 1357 CG LYS A 96 13.747 0.135 -3.404 1.00 0.00 C ATOM 1358 CD LYS A 96 12.787 1.210 -2.890 1.00 0.00 C ATOM 1359 CE LYS A 96 13.054 1.526 -1.417 1.00 0.00 C ATOM 1360 NZ LYS A 96 11.914 1.088 -0.579 1.00 0.00 N ATOM 0 H LYS A 96 11.411 -2.933 -2.965 1.00 0.00 H new ATOM 0 HA LYS A 96 12.542 -1.260 -5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.440 -1.187 -2.312 1.00 0.00 H new ATOM 0 HB3 LYS A 96 14.056 -1.821 -2.550 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.739 0.297 -2.983 1.00 0.00 H new ATOM 0 HG3 LYS A 96 13.843 0.215 -4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 96 12.898 2.116 -3.486 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.758 0.872 -3.012 1.00 0.00 H new ATOM 0 HE2 LYS A 96 13.966 1.026 -1.091 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.215 2.597 -1.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.245 0.908 0.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.188 1.832 -0.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 11.508 0.216 -0.974 1.00 0.00 H new ATOM 1369 N LYS A 97 13.805 -4.193 -4.463 1.00 0.00 N ATOM 1370 CA LYS A 97 14.756 -5.174 -4.958 1.00 0.00 C ATOM 1371 C LYS A 97 14.914 -5.004 -6.470 1.00 0.00 C ATOM 1372 O LYS A 97 15.989 -4.645 -6.949 1.00 0.00 O ATOM 1373 CB LYS A 97 14.341 -6.584 -4.537 1.00 0.00 C ATOM 1374 CG LYS A 97 15.501 -7.568 -4.695 1.00 0.00 C ATOM 1375 CD LYS A 97 15.009 -8.919 -5.218 1.00 0.00 C ATOM 1376 CE LYS A 97 15.517 -9.175 -6.638 1.00 0.00 C ATOM 1377 NZ LYS A 97 16.966 -9.470 -6.626 1.00 0.00 N ATOM 0 H LYS A 97 13.135 -4.554 -3.785 1.00 0.00 H new ATOM 0 HA LYS A 97 15.738 -5.012 -4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.007 -6.574 -3.499 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.495 -6.913 -5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 97 16.241 -7.156 -5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.999 -7.705 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.351 -9.715 -4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.919 -8.942 -5.208 1.00 0.00 H new ATOM 0 HE2 LYS A 97 14.974 -10.011 -7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.323 -8.303 -7.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.270 -9.757 -7.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.491 -8.620 -6.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.158 -10.241 -5.955 1.00 0.00 H new ATOM 1386 N ALA A 98 13.828 -5.272 -7.181 1.00 0.00 N ATOM 1387 CA ALA A 98 13.833 -5.153 -8.629 1.00 0.00 C ATOM 1388 C ALA A 98 14.353 -3.770 -9.022 1.00 0.00 C ATOM 1389 O ALA A 98 14.913 -3.597 -10.103 1.00 0.00 O ATOM 1390 CB ALA A 98 12.427 -5.422 -9.168 1.00 0.00 C ATOM 0 H ALA A 98 12.939 -5.571 -6.781 1.00 0.00 H new ATOM 0 HA ALA A 98 14.499 -5.893 -9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.431 -5.333 -10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.116 -6.428 -8.888 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.731 -4.697 -8.747 1.00 0.00 H new ATOM 1396 N GLY A 99 14.150 -2.818 -8.121 1.00 0.00 N ATOM 1397 CA GLY A 99 14.592 -1.455 -8.361 1.00 0.00 C ATOM 1398 C GLY A 99 13.411 -0.551 -8.717 1.00 0.00 C ATOM 1399 O GLY A 99 13.480 0.218 -9.675 1.00 0.00 O ATOM 0 H GLY A 99 13.686 -2.964 -7.225 1.00 0.00 H new ATOM 0 HA2 GLY A 99 15.095 -1.070 -7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 99 15.321 -1.443 -9.171 1.00 0.00 H new ATOM 1403 N LEU A 100 12.353 -0.673 -7.928 1.00 0.00 N ATOM 1404 CA LEU A 100 11.158 0.125 -8.148 1.00 0.00 C ATOM 1405 C LEU A 100 10.888 0.983 -6.912 1.00 0.00 C ATOM 1406 O LEU A 100 10.709 0.459 -5.814 1.00 0.00 O ATOM 1407 CB LEU A 100 9.983 -0.771 -8.544 1.00 0.00 C ATOM 1408 CG LEU A 100 10.255 -1.781 -9.660 1.00 0.00 C ATOM 1409 CD1 LEU A 100 9.480 -3.079 -9.426 1.00 0.00 C ATOM 1410 CD2 LEU A 100 9.956 -1.175 -11.033 1.00 0.00 C ATOM 0 H LEU A 100 12.298 -1.313 -7.135 1.00 0.00 H new ATOM 0 HA LEU A 100 11.304 0.809 -8.984 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.654 -1.317 -7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 100 9.154 -0.134 -8.852 1.00 0.00 H new ATOM 0 HG LEU A 100 11.316 -2.032 -9.642 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.691 -3.780 -10.234 1.00 0.00 H new ATOM 0 HD12 LEU A 100 9.784 -3.518 -8.476 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.411 -2.865 -9.401 1.00 0.00 H new ATOM 0 HD21 LEU A 100 10.158 -1.914 -11.809 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.908 -0.877 -11.079 1.00 0.00 H new ATOM 0 HD23 LEU A 100 10.589 -0.301 -11.191 1.00 0.00 H new ATOM 1421 N PRO A 101 10.867 2.325 -7.137 1.00 0.00 N ATOM 1422 CA PRO A 101 10.622 3.262 -6.053 1.00 0.00 C ATOM 1423 C PRO A 101 9.144 3.270 -5.660 1.00 0.00 C ATOM 1424 O PRO A 101 8.269 3.154 -6.517 1.00 0.00 O ATOM 1425 CB PRO A 101 11.104 4.604 -6.579 1.00 0.00 C ATOM 1426 CG PRO A 101 11.169 4.462 -8.091 1.00 0.00 C ATOM 1427 CD PRO A 101 11.075 2.982 -8.424 1.00 0.00 C ATOM 0 HA PRO A 101 11.149 2.995 -5.137 1.00 0.00 H new ATOM 0 HB2 PRO A 101 10.422 5.404 -6.291 1.00 0.00 H new ATOM 0 HB3 PRO A 101 12.082 4.856 -6.168 1.00 0.00 H new ATOM 0 HG2 PRO A 101 10.354 5.012 -8.562 1.00 0.00 H new ATOM 0 HG3 PRO A 101 12.099 4.881 -8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 101 10.251 2.782 -9.109 1.00 0.00 H new ATOM 0 HD3 PRO A 101 11.985 2.626 -8.908 1.00 0.00 H new ATOM 1432 N VAL A 102 8.910 3.407 -4.363 1.00 0.00 N ATOM 1433 CA VAL A 102 7.553 3.432 -3.845 1.00 0.00 C ATOM 1434 C VAL A 102 6.951 4.821 -4.070 1.00 0.00 C ATOM 1435 O VAL A 102 7.627 5.721 -4.565 1.00 0.00 O ATOM 1436 CB VAL A 102 7.546 3.008 -2.375 1.00 0.00 C ATOM 1437 CG1 VAL A 102 7.628 1.486 -2.242 1.00 0.00 C ATOM 1438 CG2 VAL A 102 8.679 3.688 -1.603 1.00 0.00 C ATOM 0 H VAL A 102 9.638 3.502 -3.655 1.00 0.00 H new ATOM 0 HA VAL A 102 6.927 2.716 -4.379 1.00 0.00 H new ATOM 0 HB VAL A 102 6.601 3.331 -1.938 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.621 1.212 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.772 1.031 -2.741 1.00 0.00 H new ATOM 0 HG13 VAL A 102 8.549 1.130 -2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 102 8.652 3.370 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.637 3.410 -2.042 1.00 0.00 H new ATOM 0 HG23 VAL A 102 8.557 4.770 -1.655 1.00 0.00 H new ATOM 1448 N ALA A 103 5.686 4.949 -3.696 1.00 0.00 N ATOM 1449 CA ALA A 103 4.986 6.213 -3.851 1.00 0.00 C ATOM 1450 C ALA A 103 5.366 7.146 -2.698 1.00 0.00 C ATOM 1451 O ALA A 103 4.514 7.527 -1.897 1.00 0.00 O ATOM 1452 CB ALA A 103 3.480 5.956 -3.920 1.00 0.00 C ATOM 0 H ALA A 103 5.129 4.199 -3.287 1.00 0.00 H new ATOM 0 HA ALA A 103 5.277 6.702 -4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 103 2.954 6.904 -4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 103 3.259 5.312 -4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.152 5.469 -3.002 1.00 0.00 H new ATOM 1458 N VAL A 104 6.645 7.487 -2.653 1.00 0.00 N ATOM 1459 CA VAL A 104 7.148 8.368 -1.613 1.00 0.00 C ATOM 1460 C VAL A 104 6.798 9.816 -1.963 1.00 0.00 C ATOM 1461 O VAL A 104 6.182 10.077 -2.996 1.00 0.00 O ATOM 1462 CB VAL A 104 8.649 8.146 -1.419 1.00 0.00 C ATOM 1463 CG1 VAL A 104 8.912 6.981 -0.463 1.00 0.00 C ATOM 1464 CG2 VAL A 104 9.348 7.923 -2.761 1.00 0.00 C ATOM 0 H VAL A 104 7.348 7.169 -3.320 1.00 0.00 H new ATOM 0 HA VAL A 104 6.674 8.141 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 104 9.066 9.048 -0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 104 9.987 6.845 -0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 104 8.463 7.197 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 104 8.474 6.070 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 104 10.414 7.768 -2.595 1.00 0.00 H new ATOM 0 HG22 VAL A 104 8.925 7.045 -3.250 1.00 0.00 H new ATOM 0 HG23 VAL A 104 9.203 8.797 -3.396 1.00 0.00 H new