USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 967 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 97 ASN : amide:sc= 0.284 K(o=0.42,f=-3!) USER MOD Set 1.2: A 135 GLN : amide:sc= 0.136 K(o=0.42,f=-3) USER MOD Set 2.1: A 36 MET CE :methyl -172:sc= -0.312 (180deg=-0.409) USER MOD Set 2.2: A 41 GLN : amide:sc= 0 K(o=-0.31,f=-0.93) USER MOD Set 3.1: A 21 LYS NZ :NH3+ 172:sc= 1.22 (180deg=0) USER MOD Set 3.2: A 34 THR OG1 : rot 80:sc= 1.04 USER MOD Single : A 5 THR OG1 : rot -27:sc= 0.0355 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 81:sc= 0.622 USER MOD Single : A 28 THR OG1 : rot -89:sc= 1.03 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0298 USER MOD Single : A 30 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00763) USER MOD Single : A 38 SER OG : rot 98:sc= 0.128 USER MOD Single : A 42 ASN : amide:sc= -0.0234 X(o=-0.023,f=-0.023) USER MOD Single : A 44 THR OG1 : rot -86:sc= 1.24 USER MOD Single : A 49 GLN : amide:sc= -0.0279 K(o=-0.028,f=-1.3) USER MOD Single : A 51 MET CE :methyl 162:sc= -0.351 (180deg=-0.812) USER MOD Single : A 53 ASN : amide:sc=-0.000163 X(o=-0.00016,f=0) USER MOD Single : A 60 ASN : amide:sc=-0.00915 K(o=-0.0092,f=-2.8) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -121:sc= -0.162 (180deg=-0.279) USER MOD Single : A 72 MET CE :methyl -163:sc= 0 (180deg=-0.544) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -63:sc= 1.25 USER MOD Single : A 107 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.0046) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 74:sc= 0.506 USER MOD Single : A 111 ASN : amide:sc= -0.0192 X(o=-0.019,f=-0.074) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00404 USER MOD Single : A 124 MET CE :methyl -106:sc= -0.104 (180deg=-0.272) USER MOD Single : A 137 ASN : amide:sc= -0.0593 K(o=-0.059,f=-3.4) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.0109 USER MOD Single : A 143 GLN : amide:sc= -0.0417 X(o=-0.042,f=0) USER MOD Single : A 144 MET CE :methyl -151:sc= 0 (180deg=-0.402) USER MOD Single : A 145 MET CE :methyl -124:sc= -0.0561 (180deg=-0.314) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.745 16.483 2.277 1.00 0.00 N ATOM 59 CA THR A 5 -13.219 17.560 1.465 1.00 0.00 C ATOM 60 C THR A 5 -14.424 17.053 0.750 1.00 0.00 C ATOM 61 O THR A 5 -14.672 15.887 0.444 1.00 0.00 O ATOM 62 CB THR A 5 -12.143 18.033 0.532 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.470 17.061 -0.255 1.00 0.00 O ATOM 64 CG2 THR A 5 -11.135 18.925 1.275 1.00 0.00 C ATOM 0 HA THR A 5 -13.488 18.431 2.062 1.00 0.00 H new ATOM 0 HB THR A 5 -12.701 18.600 -0.213 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.496 16.195 0.202 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.363 19.258 0.581 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.651 19.792 1.687 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.675 18.358 2.085 1.00 0.00 H new ATOM 72 N GLU A 6 -15.271 18.047 0.431 1.00 0.00 N ATOM 73 CA GLU A 6 -16.525 17.829 -0.221 1.00 0.00 C ATOM 74 C GLU A 6 -16.489 17.115 -1.528 1.00 0.00 C ATOM 75 O GLU A 6 -17.317 16.255 -1.825 1.00 0.00 O ATOM 76 CB GLU A 6 -17.343 19.120 -0.392 1.00 0.00 C ATOM 77 CG GLU A 6 -17.780 19.878 0.864 1.00 0.00 C ATOM 78 CD GLU A 6 -18.861 19.185 1.681 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.098 19.338 1.501 1.00 0.00 O ATOM 80 OE2 GLU A 6 -18.494 18.459 2.643 1.00 0.00 O ATOM 0 H GLU A 6 -15.079 19.029 0.632 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.012 17.153 0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.758 19.805 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.240 18.872 -0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.908 20.035 1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.141 20.863 0.570 1.00 0.00 H new ATOM 87 N GLU A 7 -15.515 17.399 -2.412 1.00 0.00 N ATOM 88 CA GLU A 7 -15.279 16.755 -3.666 1.00 0.00 C ATOM 89 C GLU A 7 -14.974 15.297 -3.633 1.00 0.00 C ATOM 90 O GLU A 7 -15.569 14.566 -4.423 1.00 0.00 O ATOM 91 CB GLU A 7 -14.384 17.454 -4.703 1.00 0.00 C ATOM 92 CG GLU A 7 -12.914 17.519 -4.285 1.00 0.00 C ATOM 93 CD GLU A 7 -12.042 18.275 -5.278 1.00 0.00 C ATOM 94 OE1 GLU A 7 -12.437 18.528 -6.447 1.00 0.00 O ATOM 95 OE2 GLU A 7 -10.897 18.644 -4.903 1.00 0.00 O ATOM 0 H GLU A 7 -14.838 18.141 -2.232 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.298 16.875 -4.035 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.462 16.927 -5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.753 18.466 -4.868 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.841 17.998 -3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.530 16.505 -4.172 1.00 0.00 H new ATOM 102 N GLN A 8 -14.071 14.779 -2.781 1.00 0.00 N ATOM 103 CA GLN A 8 -13.794 13.383 -2.641 1.00 0.00 C ATOM 104 C GLN A 8 -14.984 12.618 -2.172 1.00 0.00 C ATOM 105 O GLN A 8 -15.223 11.553 -2.739 1.00 0.00 O ATOM 106 CB GLN A 8 -12.674 13.183 -1.607 1.00 0.00 C ATOM 107 CG GLN A 8 -11.299 13.798 -1.877 1.00 0.00 C ATOM 108 CD GLN A 8 -10.554 13.234 -3.079 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.692 13.588 -4.249 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.698 12.225 -2.762 1.00 0.00 N ATOM 0 H GLN A 8 -13.508 15.361 -2.161 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.502 13.015 -3.625 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.030 13.577 -0.655 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.535 12.110 -1.475 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.422 14.872 -2.019 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.679 13.662 -0.991 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.588 11.936 -1.790 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.166 11.758 -3.496 1.00 0.00 H new ATOM 119 N ILE A 9 -15.780 13.159 -1.233 1.00 0.00 N ATOM 120 CA ILE A 9 -17.034 12.659 -0.761 1.00 0.00 C ATOM 121 C ILE A 9 -18.076 12.495 -1.813 1.00 0.00 C ATOM 122 O ILE A 9 -18.724 11.456 -1.930 1.00 0.00 O ATOM 123 CB ILE A 9 -17.519 13.411 0.443 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.593 13.097 1.630 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.940 12.922 0.770 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.928 13.860 2.910 1.00 0.00 C ATOM 0 H ILE A 9 -15.520 14.026 -0.762 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.833 11.637 -0.439 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.521 14.484 0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.637 12.028 1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.566 13.324 1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.316 13.455 1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.595 13.112 -0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.918 11.852 0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.226 13.579 3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.855 14.932 2.725 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.942 13.615 3.225 1.00 0.00 H new ATOM 138 N ALA A 10 -18.155 13.482 -2.723 1.00 0.00 N ATOM 139 CA ALA A 10 -18.959 13.395 -3.902 1.00 0.00 C ATOM 140 C ALA A 10 -18.604 12.311 -4.861 1.00 0.00 C ATOM 141 O ALA A 10 -19.500 11.627 -5.352 1.00 0.00 O ATOM 142 CB ALA A 10 -18.953 14.740 -4.649 1.00 0.00 C ATOM 0 H ALA A 10 -17.647 14.362 -2.637 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.950 13.139 -3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.569 14.661 -5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.354 15.518 -4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.932 14.995 -4.932 1.00 0.00 H new ATOM 148 N GLU A 11 -17.297 12.094 -5.095 1.00 0.00 N ATOM 149 CA GLU A 11 -16.834 11.036 -5.939 1.00 0.00 C ATOM 150 C GLU A 11 -16.915 9.703 -5.278 1.00 0.00 C ATOM 151 O GLU A 11 -17.098 8.657 -5.900 1.00 0.00 O ATOM 152 CB GLU A 11 -15.348 11.277 -6.255 1.00 0.00 C ATOM 153 CG GLU A 11 -15.173 12.532 -7.113 1.00 0.00 C ATOM 154 CD GLU A 11 -13.840 12.476 -7.846 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.776 12.242 -7.214 1.00 0.00 O ATOM 156 OE2 GLU A 11 -13.860 12.550 -9.104 1.00 0.00 O ATOM 0 H GLU A 11 -16.551 12.661 -4.693 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.465 11.034 -6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.787 11.384 -5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.938 10.413 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.990 12.609 -7.831 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.215 13.422 -6.485 1.00 0.00 H new ATOM 163 N PHE A 12 -16.789 9.638 -3.941 1.00 0.00 N ATOM 164 CA PHE A 12 -16.995 8.429 -3.207 1.00 0.00 C ATOM 165 C PHE A 12 -18.436 8.058 -3.129 1.00 0.00 C ATOM 166 O PHE A 12 -18.749 6.874 -3.009 1.00 0.00 O ATOM 167 CB PHE A 12 -16.552 8.579 -1.742 1.00 0.00 C ATOM 168 CG PHE A 12 -15.094 8.840 -1.584 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.189 8.839 -2.620 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.644 9.092 -0.310 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.866 9.081 -2.336 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.326 9.360 -0.024 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.418 9.299 -1.054 1.00 0.00 C ATOM 0 H PHE A 12 -16.540 10.438 -3.360 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.415 7.676 -3.740 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -17.111 9.395 -1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.811 7.671 -1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.511 8.652 -3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.356 9.079 0.502 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.154 9.101 -3.148 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.014 9.611 0.979 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.363 9.421 -0.859 1.00 0.00 H new ATOM 183 N LYS A 13 -19.340 9.052 -3.180 1.00 0.00 N ATOM 184 CA LYS A 13 -20.750 8.905 -3.371 1.00 0.00 C ATOM 185 C LYS A 13 -21.178 8.408 -4.709 1.00 0.00 C ATOM 186 O LYS A 13 -21.890 7.418 -4.876 1.00 0.00 O ATOM 187 CB LYS A 13 -21.483 10.210 -3.016 1.00 0.00 C ATOM 188 CG LYS A 13 -23.006 10.192 -3.159 1.00 0.00 C ATOM 189 CD LYS A 13 -23.586 11.521 -2.670 1.00 0.00 C ATOM 190 CE LYS A 13 -23.046 12.716 -3.457 1.00 0.00 C ATOM 191 NZ LYS A 13 -23.866 13.899 -3.110 1.00 0.00 N ATOM 0 H LYS A 13 -19.065 10.029 -3.080 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.036 8.109 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.239 10.470 -1.986 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.089 11.006 -3.648 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.281 10.025 -4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.425 9.367 -2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.672 11.494 -2.755 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.352 11.650 -1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -21.999 12.893 -3.211 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -23.093 12.520 -4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -23.519 14.728 -3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -24.858 13.720 -3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -23.798 14.081 -2.088 1.00 0.00 H new ATOM 205 N GLU A 14 -20.676 8.984 -5.816 1.00 0.00 N ATOM 206 CA GLU A 14 -20.731 8.441 -7.138 1.00 0.00 C ATOM 207 C GLU A 14 -20.266 7.028 -7.214 1.00 0.00 C ATOM 208 O GLU A 14 -20.976 6.305 -7.911 1.00 0.00 O ATOM 209 CB GLU A 14 -20.018 9.367 -8.138 1.00 0.00 C ATOM 210 CG GLU A 14 -20.052 8.892 -9.592 1.00 0.00 C ATOM 211 CD GLU A 14 -19.399 9.878 -10.551 1.00 0.00 C ATOM 212 OE1 GLU A 14 -19.848 11.054 -10.607 1.00 0.00 O ATOM 213 OE2 GLU A 14 -18.329 9.540 -11.125 1.00 0.00 O ATOM 0 H GLU A 14 -20.202 9.886 -5.785 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.781 8.398 -7.426 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.473 10.356 -8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.978 9.477 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.545 7.930 -9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -21.087 8.731 -9.893 1.00 0.00 H new ATOM 220 N ALA A 15 -19.157 6.637 -6.562 1.00 0.00 N ATOM 221 CA ALA A 15 -18.617 5.314 -6.508 1.00 0.00 C ATOM 222 C ALA A 15 -19.483 4.360 -5.760 1.00 0.00 C ATOM 223 O ALA A 15 -19.541 3.179 -6.101 1.00 0.00 O ATOM 224 CB ALA A 15 -17.198 5.427 -5.925 1.00 0.00 C ATOM 0 H ALA A 15 -18.594 7.301 -6.030 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.574 4.888 -7.510 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.749 4.436 -5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.590 6.064 -6.568 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.248 5.862 -4.927 1.00 0.00 H new ATOM 230 N PHE A 16 -20.090 4.848 -4.664 1.00 0.00 N ATOM 231 CA PHE A 16 -20.917 4.034 -3.828 1.00 0.00 C ATOM 232 C PHE A 16 -22.089 3.436 -4.527 1.00 0.00 C ATOM 233 O PHE A 16 -22.311 2.229 -4.451 1.00 0.00 O ATOM 234 CB PHE A 16 -21.346 4.871 -2.611 1.00 0.00 C ATOM 235 CG PHE A 16 -21.972 4.089 -1.508 1.00 0.00 C ATOM 236 CD1 PHE A 16 -21.292 3.085 -0.859 1.00 0.00 C ATOM 237 CD2 PHE A 16 -23.217 4.421 -1.030 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.853 2.457 0.228 1.00 0.00 C ATOM 239 CE2 PHE A 16 -23.856 3.672 -0.070 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.127 2.755 0.650 1.00 0.00 C ATOM 0 H PHE A 16 -20.007 5.816 -4.354 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.328 3.173 -3.511 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.472 5.392 -2.219 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.050 5.634 -2.942 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -20.313 2.788 -1.205 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.710 5.299 -1.421 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -21.280 1.713 0.762 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.912 3.802 0.115 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.545 2.281 1.526 1.00 0.00 H new ATOM 250 N SER A 17 -22.786 4.206 -5.383 1.00 0.00 N ATOM 251 CA SER A 17 -23.861 3.767 -6.217 1.00 0.00 C ATOM 252 C SER A 17 -23.390 3.027 -7.420 1.00 0.00 C ATOM 253 O SER A 17 -24.147 2.185 -7.900 1.00 0.00 O ATOM 254 CB SER A 17 -24.668 4.922 -6.835 1.00 0.00 C ATOM 255 OG SER A 17 -25.364 5.554 -5.771 1.00 0.00 O ATOM 0 H SER A 17 -22.584 5.199 -5.499 1.00 0.00 H new ATOM 0 HA SER A 17 -24.453 3.157 -5.535 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.008 5.628 -7.338 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.365 4.548 -7.585 1.00 0.00 H new ATOM 0 HG SER A 17 -25.892 6.301 -6.123 1.00 0.00 H new ATOM 261 N LEU A 18 -22.183 3.283 -7.957 1.00 0.00 N ATOM 262 CA LEU A 18 -21.555 2.486 -8.964 1.00 0.00 C ATOM 263 C LEU A 18 -21.382 1.054 -8.591 1.00 0.00 C ATOM 264 O LEU A 18 -21.439 0.190 -9.464 1.00 0.00 O ATOM 265 CB LEU A 18 -20.282 3.128 -9.543 1.00 0.00 C ATOM 266 CG LEU A 18 -20.264 3.147 -11.081 1.00 0.00 C ATOM 267 CD1 LEU A 18 -20.985 4.415 -11.569 1.00 0.00 C ATOM 268 CD2 LEU A 18 -18.829 3.179 -11.635 1.00 0.00 C ATOM 0 H LEU A 18 -21.619 4.084 -7.675 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.271 2.467 -9.786 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.196 4.149 -9.172 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.410 2.583 -9.182 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.756 2.240 -11.432 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -20.979 4.440 -12.659 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -22.015 4.408 -11.212 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -20.473 5.296 -11.183 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -18.860 3.192 -12.724 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -18.320 4.074 -11.276 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -18.289 2.294 -11.298 1.00 0.00 H new ATOM 280 N PHE A 19 -21.097 0.849 -7.292 1.00 0.00 N ATOM 281 CA PHE A 19 -20.762 -0.455 -6.810 1.00 0.00 C ATOM 282 C PHE A 19 -21.957 -1.184 -6.300 1.00 0.00 C ATOM 283 O PHE A 19 -22.171 -2.376 -6.515 1.00 0.00 O ATOM 284 CB PHE A 19 -19.685 -0.447 -5.713 1.00 0.00 C ATOM 285 CG PHE A 19 -18.365 -0.067 -6.289 1.00 0.00 C ATOM 286 CD1 PHE A 19 -17.896 -0.758 -7.382 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.600 0.911 -5.698 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.621 -0.560 -7.856 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.299 1.084 -6.109 1.00 0.00 C ATOM 290 CZ PHE A 19 -15.856 0.375 -7.200 1.00 0.00 C ATOM 0 H PHE A 19 -21.098 1.580 -6.581 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.356 -0.972 -7.679 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -19.962 0.255 -4.927 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.618 -1.432 -5.252 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.541 -1.469 -7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.016 1.535 -4.921 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.239 -1.112 -8.702 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.640 1.762 -5.586 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.855 0.562 -7.560 1.00 0.00 H new ATOM 300 N ASP A 20 -22.860 -0.457 -5.617 1.00 0.00 N ATOM 301 CA ASP A 20 -24.102 -0.982 -5.140 1.00 0.00 C ATOM 302 C ASP A 20 -24.935 -1.459 -6.279 1.00 0.00 C ATOM 303 O ASP A 20 -25.153 -0.756 -7.265 1.00 0.00 O ATOM 304 CB ASP A 20 -24.862 0.025 -4.261 1.00 0.00 C ATOM 305 CG ASP A 20 -25.738 -0.855 -3.381 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.833 -1.384 -3.710 1.00 0.00 O ATOM 307 OD2 ASP A 20 -25.305 -1.082 -2.219 1.00 0.00 O ATOM 0 H ASP A 20 -22.721 0.528 -5.390 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.877 -1.835 -4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.180 0.633 -3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.459 0.711 -4.862 1.00 0.00 H new ATOM 312 N LYS A 21 -25.443 -2.704 -6.256 1.00 0.00 N ATOM 313 CA LYS A 21 -26.267 -3.306 -7.258 1.00 0.00 C ATOM 314 C LYS A 21 -27.713 -2.980 -7.110 1.00 0.00 C ATOM 315 O LYS A 21 -28.381 -2.544 -8.047 1.00 0.00 O ATOM 316 CB LYS A 21 -26.209 -4.840 -7.166 1.00 0.00 C ATOM 317 CG LYS A 21 -24.816 -5.293 -7.607 1.00 0.00 C ATOM 318 CD LYS A 21 -24.802 -6.822 -7.547 1.00 0.00 C ATOM 319 CE LYS A 21 -23.581 -7.683 -7.216 1.00 0.00 C ATOM 320 NZ LYS A 21 -22.385 -7.238 -7.967 1.00 0.00 N ATOM 0 H LYS A 21 -25.263 -3.337 -5.477 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.877 -2.915 -8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -26.410 -5.167 -6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.973 -5.288 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -24.599 -4.945 -8.617 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -24.050 -4.875 -6.954 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.567 -7.099 -6.821 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.150 -7.162 -8.522 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -23.379 -7.634 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -23.794 -8.725 -7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.548 -7.750 -7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.518 -7.434 -8.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -22.248 -6.217 -7.827 1.00 0.00 H new ATOM 334 N ASP A 22 -28.223 -3.170 -5.880 1.00 0.00 N ATOM 335 CA ASP A 22 -29.625 -3.101 -5.608 1.00 0.00 C ATOM 336 C ASP A 22 -30.096 -1.717 -5.321 1.00 0.00 C ATOM 337 O ASP A 22 -31.297 -1.453 -5.312 1.00 0.00 O ATOM 338 CB ASP A 22 -30.171 -4.144 -4.618 1.00 0.00 C ATOM 339 CG ASP A 22 -29.289 -4.456 -3.418 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.108 -4.020 -3.365 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.782 -5.130 -2.474 1.00 0.00 O ATOM 0 H ASP A 22 -27.652 -3.375 -5.060 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.078 -3.398 -6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.137 -3.796 -4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.351 -5.071 -5.162 1.00 0.00 H new ATOM 346 N GLY A 23 -29.189 -0.758 -5.065 1.00 0.00 N ATOM 347 CA GLY A 23 -29.482 0.640 -4.983 1.00 0.00 C ATOM 348 C GLY A 23 -30.020 1.087 -3.668 1.00 0.00 C ATOM 349 O GLY A 23 -30.670 2.127 -3.582 1.00 0.00 O ATOM 0 H GLY A 23 -28.203 -0.967 -4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.573 1.201 -5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.203 0.892 -5.760 1.00 0.00 H new ATOM 353 N ASP A 24 -29.739 0.327 -2.594 1.00 0.00 N ATOM 354 CA ASP A 24 -30.203 0.471 -1.249 1.00 0.00 C ATOM 355 C ASP A 24 -29.338 1.478 -0.573 1.00 0.00 C ATOM 356 O ASP A 24 -29.770 2.240 0.291 1.00 0.00 O ATOM 357 CB ASP A 24 -30.389 -0.873 -0.525 1.00 0.00 C ATOM 358 CG ASP A 24 -29.100 -1.620 -0.210 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.304 -2.031 -1.096 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.908 -1.841 1.015 1.00 0.00 O ATOM 0 H ASP A 24 -29.117 -0.477 -2.682 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.221 0.859 -1.228 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.925 -0.695 0.407 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.022 -1.514 -1.139 1.00 0.00 H new ATOM 365 N GLY A 25 -28.057 1.442 -0.980 1.00 0.00 N ATOM 366 CA GLY A 25 -26.946 2.003 -0.275 1.00 0.00 C ATOM 367 C GLY A 25 -26.340 1.215 0.834 1.00 0.00 C ATOM 368 O GLY A 25 -26.031 1.786 1.879 1.00 0.00 O ATOM 0 H GLY A 25 -27.781 0.994 -1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.161 2.210 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.263 2.963 0.134 1.00 0.00 H new ATOM 372 N THR A 26 -26.134 -0.102 0.656 1.00 0.00 N ATOM 373 CA THR A 26 -25.391 -0.801 1.658 1.00 0.00 C ATOM 374 C THR A 26 -24.665 -1.863 0.906 1.00 0.00 C ATOM 375 O THR A 26 -25.245 -2.699 0.214 1.00 0.00 O ATOM 376 CB THR A 26 -26.142 -1.448 2.785 1.00 0.00 C ATOM 377 OG1 THR A 26 -27.313 -0.737 3.157 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.227 -1.527 4.019 1.00 0.00 C ATOM 0 H THR A 26 -26.460 -0.658 -0.134 1.00 0.00 H new ATOM 0 HA THR A 26 -24.785 -0.056 2.175 1.00 0.00 H new ATOM 0 HB THR A 26 -26.445 -2.434 2.434 1.00 0.00 H new ATOM 0 HG1 THR A 26 -28.040 -0.958 2.538 1.00 0.00 H new ATOM 0 HG21 THR A 26 -25.766 -1.996 4.842 1.00 0.00 H new ATOM 0 HG22 THR A 26 -24.344 -2.119 3.780 1.00 0.00 H new ATOM 0 HG23 THR A 26 -24.922 -0.522 4.311 1.00 0.00 H new ATOM 386 N ILE A 27 -23.344 -1.960 1.138 1.00 0.00 N ATOM 387 CA ILE A 27 -22.499 -2.844 0.397 1.00 0.00 C ATOM 388 C ILE A 27 -22.355 -4.137 1.125 1.00 0.00 C ATOM 389 O ILE A 27 -21.942 -4.174 2.283 1.00 0.00 O ATOM 390 CB ILE A 27 -21.133 -2.338 0.039 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.204 -0.847 -0.328 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.579 -3.175 -1.126 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.810 -0.229 -0.435 1.00 0.00 C ATOM 0 H ILE A 27 -22.855 -1.417 1.850 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.016 -2.954 -0.556 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.462 -2.437 0.892 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.729 -0.729 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.783 -0.313 0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.586 -2.814 -1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.516 -4.221 -0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.242 -3.084 -1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.899 0.826 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.295 -0.324 0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.241 -0.747 -1.207 1.00 0.00 H new ATOM 405 N THR A 28 -22.837 -5.224 0.496 1.00 0.00 N ATOM 406 CA THR A 28 -22.691 -6.559 0.986 1.00 0.00 C ATOM 407 C THR A 28 -21.393 -7.166 0.577 1.00 0.00 C ATOM 408 O THR A 28 -20.550 -6.575 -0.096 1.00 0.00 O ATOM 409 CB THR A 28 -23.793 -7.429 0.457 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.767 -7.521 -0.960 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.222 -7.009 0.840 1.00 0.00 C ATOM 0 H THR A 28 -23.347 -5.171 -0.386 1.00 0.00 H new ATOM 0 HA THR A 28 -22.730 -6.499 2.074 1.00 0.00 H new ATOM 0 HB THR A 28 -23.579 -8.384 0.937 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.298 -6.793 -1.345 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.936 -7.708 0.404 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.325 -7.015 1.925 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.420 -6.006 0.463 1.00 0.00 H new ATOM 419 N THR A 29 -21.126 -8.387 1.074 1.00 0.00 N ATOM 420 CA THR A 29 -20.018 -9.269 0.881 1.00 0.00 C ATOM 421 C THR A 29 -19.921 -9.568 -0.576 1.00 0.00 C ATOM 422 O THR A 29 -18.796 -9.568 -1.074 1.00 0.00 O ATOM 423 CB THR A 29 -20.003 -10.618 1.537 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.168 -11.371 1.229 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.837 -10.550 3.064 1.00 0.00 C ATOM 0 H THR A 29 -21.798 -8.816 1.710 1.00 0.00 H new ATOM 0 HA THR A 29 -19.208 -8.710 1.350 1.00 0.00 H new ATOM 0 HB THR A 29 -19.127 -11.120 1.126 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.120 -12.243 1.673 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.834 -11.560 3.475 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.895 -10.057 3.306 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.663 -9.985 3.495 1.00 0.00 H new ATOM 433 N LYS A 30 -21.055 -9.879 -1.229 1.00 0.00 N ATOM 434 CA LYS A 30 -21.244 -10.107 -2.628 1.00 0.00 C ATOM 435 C LYS A 30 -20.752 -8.937 -3.409 1.00 0.00 C ATOM 436 O LYS A 30 -19.890 -9.105 -4.270 1.00 0.00 O ATOM 437 CB LYS A 30 -22.706 -10.479 -2.928 1.00 0.00 C ATOM 438 CG LYS A 30 -23.055 -11.914 -2.527 1.00 0.00 C ATOM 439 CD LYS A 30 -24.574 -12.098 -2.539 1.00 0.00 C ATOM 440 CE LYS A 30 -24.986 -13.571 -2.522 1.00 0.00 C ATOM 441 NZ LYS A 30 -24.466 -14.294 -1.340 1.00 0.00 N ATOM 0 H LYS A 30 -21.932 -9.981 -0.719 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.649 -10.964 -2.944 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.366 -9.790 -2.400 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.896 -10.349 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -22.588 -12.618 -3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.661 -12.131 -1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.005 -11.594 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.988 -11.619 -3.426 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.074 -13.640 -2.536 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.624 -14.056 -3.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -24.816 -15.273 -1.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -23.426 -14.297 -1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -24.790 -13.820 -0.473 1.00 0.00 H new ATOM 455 N GLU A 31 -21.118 -7.696 -3.043 1.00 0.00 N ATOM 456 CA GLU A 31 -20.839 -6.510 -3.792 1.00 0.00 C ATOM 457 C GLU A 31 -19.429 -6.097 -3.540 1.00 0.00 C ATOM 458 O GLU A 31 -18.797 -5.627 -4.484 1.00 0.00 O ATOM 459 CB GLU A 31 -21.924 -5.476 -3.447 1.00 0.00 C ATOM 460 CG GLU A 31 -23.367 -5.816 -3.822 1.00 0.00 C ATOM 461 CD GLU A 31 -24.432 -4.991 -3.114 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.941 -5.195 -1.980 1.00 0.00 O ATOM 463 OE2 GLU A 31 -24.877 -4.056 -3.832 1.00 0.00 O ATOM 0 H GLU A 31 -21.634 -7.511 -2.183 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.892 -6.651 -4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.889 -5.297 -2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.662 -4.537 -3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.486 -5.687 -4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.543 -6.870 -3.606 1.00 0.00 H new ATOM 470 N LEU A 32 -18.855 -6.244 -2.333 1.00 0.00 N ATOM 471 CA LEU A 32 -17.459 -6.044 -2.098 1.00 0.00 C ATOM 472 C LEU A 32 -16.683 -7.104 -2.801 1.00 0.00 C ATOM 473 O LEU A 32 -15.607 -6.914 -3.367 1.00 0.00 O ATOM 474 CB LEU A 32 -17.186 -5.898 -0.591 1.00 0.00 C ATOM 475 CG LEU A 32 -15.884 -5.188 -0.185 1.00 0.00 C ATOM 476 CD1 LEU A 32 -15.933 -3.688 -0.519 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.436 -5.499 1.253 1.00 0.00 C ATOM 0 H LEU A 32 -19.376 -6.509 -1.497 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.113 -5.103 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.021 -5.356 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.181 -6.894 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.089 -5.610 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.997 -3.218 -0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.076 -3.559 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.761 -3.223 0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.511 -4.964 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.210 -5.183 1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.268 -6.571 1.358 1.00 0.00 H new ATOM 489 N GLY A 33 -17.225 -8.327 -2.933 1.00 0.00 N ATOM 490 CA GLY A 33 -16.634 -9.347 -3.743 1.00 0.00 C ATOM 491 C GLY A 33 -16.628 -9.040 -5.201 1.00 0.00 C ATOM 492 O GLY A 33 -15.671 -9.285 -5.933 1.00 0.00 O ATOM 0 H GLY A 33 -18.088 -8.613 -2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.608 -9.509 -3.413 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.172 -10.281 -3.582 1.00 0.00 H new ATOM 496 N THR A 34 -17.639 -8.331 -5.735 1.00 0.00 N ATOM 497 CA THR A 34 -17.671 -7.761 -7.046 1.00 0.00 C ATOM 498 C THR A 34 -16.696 -6.660 -7.285 1.00 0.00 C ATOM 499 O THR A 34 -16.162 -6.497 -8.381 1.00 0.00 O ATOM 500 CB THR A 34 -19.025 -7.268 -7.464 1.00 0.00 C ATOM 501 OG1 THR A 34 -19.882 -8.389 -7.622 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.045 -6.871 -8.950 1.00 0.00 C ATOM 0 H THR A 34 -18.494 -8.144 -5.212 1.00 0.00 H new ATOM 0 HA THR A 34 -17.382 -8.616 -7.657 1.00 0.00 H new ATOM 0 HB THR A 34 -19.283 -6.492 -6.743 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.204 -8.681 -6.744 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.041 -6.519 -9.219 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.319 -6.076 -9.124 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.789 -7.736 -9.561 1.00 0.00 H new ATOM 510 N VAL A 35 -16.355 -5.870 -6.252 1.00 0.00 N ATOM 511 CA VAL A 35 -15.394 -4.815 -6.343 1.00 0.00 C ATOM 512 C VAL A 35 -14.026 -5.331 -6.635 1.00 0.00 C ATOM 513 O VAL A 35 -13.324 -4.865 -7.531 1.00 0.00 O ATOM 514 CB VAL A 35 -15.420 -3.885 -5.167 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.240 -2.899 -5.194 1.00 0.00 C ATOM 516 CG2 VAL A 35 -16.724 -3.071 -5.106 1.00 0.00 C ATOM 0 H VAL A 35 -16.762 -5.969 -5.322 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.693 -4.208 -7.197 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.347 -4.521 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.295 -2.242 -4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.302 -3.454 -5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.286 -2.301 -6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.700 -2.411 -4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.824 -2.475 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.573 -3.750 -5.022 1.00 0.00 H new ATOM 526 N MET A 36 -13.650 -6.301 -5.783 1.00 0.00 N ATOM 527 CA MET A 36 -12.424 -7.036 -5.835 1.00 0.00 C ATOM 528 C MET A 36 -12.252 -7.826 -7.086 1.00 0.00 C ATOM 529 O MET A 36 -11.252 -7.753 -7.799 1.00 0.00 O ATOM 530 CB MET A 36 -12.454 -7.979 -4.621 1.00 0.00 C ATOM 531 CG MET A 36 -12.101 -7.231 -3.333 1.00 0.00 C ATOM 532 SD MET A 36 -11.851 -8.267 -1.861 1.00 0.00 S ATOM 533 CE MET A 36 -10.154 -8.806 -2.217 1.00 0.00 C ATOM 0 H MET A 36 -14.243 -6.591 -5.005 1.00 0.00 H new ATOM 0 HA MET A 36 -11.584 -6.341 -5.820 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.445 -8.424 -4.527 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.750 -8.797 -4.775 1.00 0.00 H new ATOM 0 HG2 MET A 36 -11.192 -6.655 -3.507 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.896 -6.516 -3.121 1.00 0.00 H new ATOM 0 HE1 MET A 36 -9.857 -9.571 -1.499 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.107 -9.217 -3.225 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.478 -7.954 -2.140 1.00 0.00 H new ATOM 543 N ARG A 37 -13.265 -8.654 -7.396 1.00 0.00 N ATOM 544 CA ARG A 37 -13.082 -9.601 -8.452 1.00 0.00 C ATOM 545 C ARG A 37 -13.112 -8.935 -9.784 1.00 0.00 C ATOM 546 O ARG A 37 -12.280 -9.363 -10.582 1.00 0.00 O ATOM 547 CB ARG A 37 -14.192 -10.665 -8.448 1.00 0.00 C ATOM 548 CG ARG A 37 -13.850 -11.740 -7.414 1.00 0.00 C ATOM 549 CD ARG A 37 -15.111 -12.437 -6.899 1.00 0.00 C ATOM 550 NE ARG A 37 -14.785 -13.245 -5.690 1.00 0.00 N ATOM 551 CZ ARG A 37 -15.742 -13.833 -4.915 1.00 0.00 C ATOM 552 NH1 ARG A 37 -17.035 -13.398 -4.950 1.00 0.00 N ATOM 553 NH2 ARG A 37 -15.422 -14.823 -4.030 1.00 0.00 N ATOM 0 H ARG A 37 -14.176 -8.671 -6.937 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.111 -10.067 -8.281 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.152 -10.206 -8.210 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -14.288 -11.112 -9.438 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.181 -12.476 -7.859 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.315 -11.287 -6.579 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.874 -11.697 -6.658 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.525 -13.080 -7.676 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.806 -13.363 -5.431 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.296 -12.624 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -17.740 -13.847 -4.365 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.455 -15.134 -3.940 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.150 -15.251 -3.459 1.00 0.00 H new ATOM 567 N SER A 38 -13.880 -7.868 -10.069 1.00 0.00 N ATOM 568 CA SER A 38 -13.907 -7.208 -11.337 1.00 0.00 C ATOM 569 C SER A 38 -12.609 -6.489 -11.477 1.00 0.00 C ATOM 570 O SER A 38 -12.345 -6.029 -12.587 1.00 0.00 O ATOM 571 CB SER A 38 -15.091 -6.226 -11.310 1.00 0.00 C ATOM 572 OG SER A 38 -16.290 -6.986 -11.356 1.00 0.00 O ATOM 0 H SER A 38 -14.509 -7.447 -9.386 1.00 0.00 H new ATOM 0 HA SER A 38 -14.032 -7.891 -12.177 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.060 -5.616 -10.407 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.040 -5.543 -12.158 1.00 0.00 H new ATOM 0 HG SER A 38 -16.647 -7.088 -10.449 1.00 0.00 H new ATOM 578 N LEU A 39 -11.753 -6.419 -10.443 1.00 0.00 N ATOM 579 CA LEU A 39 -10.473 -5.781 -10.472 1.00 0.00 C ATOM 580 C LEU A 39 -9.452 -6.762 -10.937 1.00 0.00 C ATOM 581 O LEU A 39 -8.347 -6.358 -11.296 1.00 0.00 O ATOM 582 CB LEU A 39 -10.129 -5.201 -9.090 1.00 0.00 C ATOM 583 CG LEU A 39 -9.590 -3.766 -9.218 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.634 -2.720 -9.643 1.00 0.00 C ATOM 585 CD2 LEU A 39 -8.848 -3.462 -7.905 1.00 0.00 C ATOM 0 H LEU A 39 -11.966 -6.831 -9.535 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.489 -4.944 -11.170 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.017 -5.206 -8.458 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.386 -5.831 -8.601 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.896 -3.696 -10.056 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.162 -1.740 -9.706 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.043 -2.989 -10.617 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.438 -2.689 -8.908 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.443 -2.451 -7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.541 -3.545 -7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.034 -4.174 -7.774 1.00 0.00 H new ATOM 597 N GLY A 40 -9.758 -8.062 -10.779 1.00 0.00 N ATOM 598 CA GLY A 40 -8.892 -9.142 -11.134 1.00 0.00 C ATOM 599 C GLY A 40 -8.457 -10.006 -10.000 1.00 0.00 C ATOM 600 O GLY A 40 -7.677 -10.922 -10.257 1.00 0.00 O ATOM 0 H GLY A 40 -10.647 -8.373 -10.387 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.398 -9.765 -11.871 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.006 -8.732 -11.618 1.00 0.00 H new ATOM 604 N GLN A 41 -9.018 -9.848 -8.788 1.00 0.00 N ATOM 605 CA GLN A 41 -8.619 -10.516 -7.588 1.00 0.00 C ATOM 606 C GLN A 41 -9.404 -11.763 -7.369 1.00 0.00 C ATOM 607 O GLN A 41 -10.544 -11.880 -7.816 1.00 0.00 O ATOM 608 CB GLN A 41 -8.886 -9.641 -6.352 1.00 0.00 C ATOM 609 CG GLN A 41 -8.018 -8.399 -6.563 1.00 0.00 C ATOM 610 CD GLN A 41 -8.172 -7.651 -5.247 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.058 -6.817 -5.065 1.00 0.00 O ATOM 612 NE2 GLN A 41 -7.318 -8.052 -4.267 1.00 0.00 N ATOM 0 H GLN A 41 -9.801 -9.212 -8.637 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.557 -10.732 -7.709 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.941 -9.378 -6.273 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.617 -10.161 -5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.978 -8.661 -6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.362 -7.804 -7.409 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.600 -8.747 -4.470 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.396 -7.657 -3.330 1.00 0.00 H new ATOM 621 N ASN A 42 -8.954 -12.643 -6.457 1.00 0.00 N ATOM 622 CA ASN A 42 -9.616 -13.828 -6.007 1.00 0.00 C ATOM 623 C ASN A 42 -9.547 -14.096 -4.543 1.00 0.00 C ATOM 624 O ASN A 42 -8.874 -15.063 -4.190 1.00 0.00 O ATOM 625 CB ASN A 42 -9.348 -15.183 -6.685 1.00 0.00 C ATOM 626 CG ASN A 42 -9.746 -15.001 -8.143 1.00 0.00 C ATOM 627 OD1 ASN A 42 -8.942 -14.755 -9.041 1.00 0.00 O ATOM 628 ND2 ASN A 42 -11.045 -15.233 -8.471 1.00 0.00 N ATOM 0 H ASN A 42 -8.053 -12.513 -5.997 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.601 -13.494 -6.334 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.298 -15.463 -6.598 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.930 -15.977 -6.217 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.338 -15.201 -9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.727 -15.439 -7.741 1.00 0.00 H new ATOM 635 N PRO A 43 -10.275 -13.435 -3.694 1.00 0.00 N ATOM 636 CA PRO A 43 -10.375 -13.815 -2.314 1.00 0.00 C ATOM 637 C PRO A 43 -11.410 -14.866 -2.105 1.00 0.00 C ATOM 638 O PRO A 43 -12.130 -15.196 -3.046 1.00 0.00 O ATOM 639 CB PRO A 43 -10.927 -12.575 -1.615 1.00 0.00 C ATOM 640 CG PRO A 43 -11.744 -11.888 -2.721 1.00 0.00 C ATOM 641 CD PRO A 43 -10.876 -12.138 -3.965 1.00 0.00 C ATOM 0 HA PRO A 43 -9.411 -14.178 -1.959 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.548 -12.838 -0.759 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.129 -11.932 -1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.738 -12.323 -2.823 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.880 -10.824 -2.526 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.473 -12.153 -4.877 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.121 -11.362 -4.092 1.00 0.00 H new ATOM 649 N THR A 44 -11.497 -15.495 -0.919 1.00 0.00 N ATOM 650 CA THR A 44 -12.588 -16.384 -0.667 1.00 0.00 C ATOM 651 C THR A 44 -13.736 -15.710 0.001 1.00 0.00 C ATOM 652 O THR A 44 -13.666 -14.560 0.432 1.00 0.00 O ATOM 653 CB THR A 44 -12.213 -17.580 0.157 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.675 -17.188 1.411 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.257 -18.552 -0.554 1.00 0.00 C ATOM 0 H THR A 44 -10.831 -15.393 -0.153 1.00 0.00 H new ATOM 0 HA THR A 44 -12.881 -16.719 -1.662 1.00 0.00 H new ATOM 0 HB THR A 44 -13.143 -18.126 0.316 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.714 -17.021 1.317 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.033 -19.390 0.106 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.727 -18.923 -1.465 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.333 -18.033 -0.808 1.00 0.00 H new ATOM 663 N GLU A 45 -14.884 -16.404 0.107 1.00 0.00 N ATOM 664 CA GLU A 45 -16.121 -15.933 0.650 1.00 0.00 C ATOM 665 C GLU A 45 -16.012 -15.707 2.118 1.00 0.00 C ATOM 666 O GLU A 45 -16.696 -14.819 2.625 1.00 0.00 O ATOM 667 CB GLU A 45 -17.295 -16.884 0.362 1.00 0.00 C ATOM 668 CG GLU A 45 -17.552 -17.315 -1.083 1.00 0.00 C ATOM 669 CD GLU A 45 -18.422 -16.286 -1.792 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.598 -16.058 -1.401 1.00 0.00 O ATOM 671 OE2 GLU A 45 -17.915 -15.675 -2.770 1.00 0.00 O ATOM 0 H GLU A 45 -14.951 -17.370 -0.213 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.329 -14.986 0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.143 -17.786 0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.204 -16.409 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.605 -17.427 -1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.042 -18.289 -1.098 1.00 0.00 H new ATOM 678 N ALA A 46 -15.201 -16.511 2.828 1.00 0.00 N ATOM 679 CA ALA A 46 -14.905 -16.290 4.210 1.00 0.00 C ATOM 680 C ALA A 46 -13.904 -15.236 4.540 1.00 0.00 C ATOM 681 O ALA A 46 -13.946 -14.656 5.623 1.00 0.00 O ATOM 682 CB ALA A 46 -14.558 -17.636 4.867 1.00 0.00 C ATOM 0 H ALA A 46 -14.741 -17.332 2.434 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.816 -15.864 4.629 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.331 -17.478 5.921 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -15.406 -18.315 4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.691 -18.071 4.370 1.00 0.00 H new ATOM 688 N GLU A 47 -13.024 -14.904 3.578 1.00 0.00 N ATOM 689 CA GLU A 47 -12.276 -13.692 3.711 1.00 0.00 C ATOM 690 C GLU A 47 -13.123 -12.476 3.552 1.00 0.00 C ATOM 691 O GLU A 47 -13.080 -11.520 4.324 1.00 0.00 O ATOM 692 CB GLU A 47 -11.211 -13.652 2.602 1.00 0.00 C ATOM 693 CG GLU A 47 -10.050 -14.639 2.741 1.00 0.00 C ATOM 694 CD GLU A 47 -9.290 -14.865 1.442 1.00 0.00 C ATOM 695 OE1 GLU A 47 -8.624 -13.920 0.940 1.00 0.00 O ATOM 696 OE2 GLU A 47 -9.292 -16.038 0.980 1.00 0.00 O ATOM 0 H GLU A 47 -12.834 -15.451 2.738 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.843 -13.686 4.711 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.704 -13.836 1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.799 -12.644 2.559 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.358 -14.271 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.435 -15.594 3.099 1.00 0.00 H new ATOM 703 N LEU A 48 -14.059 -12.501 2.586 1.00 0.00 N ATOM 704 CA LEU A 48 -15.099 -11.538 2.401 1.00 0.00 C ATOM 705 C LEU A 48 -15.898 -11.295 3.636 1.00 0.00 C ATOM 706 O LEU A 48 -15.910 -10.196 4.187 1.00 0.00 O ATOM 707 CB LEU A 48 -16.105 -11.766 1.260 1.00 0.00 C ATOM 708 CG LEU A 48 -15.599 -11.722 -0.191 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.653 -12.274 -1.167 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.304 -10.255 -0.543 1.00 0.00 C ATOM 0 H LEU A 48 -14.090 -13.244 1.888 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.494 -10.676 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.569 -12.739 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.891 -11.018 1.358 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.705 -12.339 -0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -16.265 -12.229 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.880 -13.309 -0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.561 -11.675 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.942 -10.193 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.216 -9.666 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.544 -9.864 0.134 1.00 0.00 H new ATOM 722 N GLN A 49 -16.510 -12.328 4.243 1.00 0.00 N ATOM 723 CA GLN A 49 -17.226 -12.230 5.477 1.00 0.00 C ATOM 724 C GLN A 49 -16.501 -11.650 6.642 1.00 0.00 C ATOM 725 O GLN A 49 -17.065 -10.859 7.398 1.00 0.00 O ATOM 726 CB GLN A 49 -17.783 -13.589 5.934 1.00 0.00 C ATOM 727 CG GLN A 49 -18.875 -13.405 6.990 1.00 0.00 C ATOM 728 CD GLN A 49 -20.192 -12.852 6.465 1.00 0.00 C ATOM 729 OE1 GLN A 49 -20.529 -13.133 5.316 1.00 0.00 O ATOM 730 NE2 GLN A 49 -20.942 -12.089 7.305 1.00 0.00 N ATOM 0 H GLN A 49 -16.505 -13.272 3.857 1.00 0.00 H new ATOM 0 HA GLN A 49 -18.011 -11.524 5.206 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -18.188 -14.127 5.077 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.976 -14.199 6.342 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -19.066 -14.367 7.465 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.501 -12.736 7.765 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -20.608 -11.890 8.248 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -21.838 -11.716 6.992 1.00 0.00 H new ATOM 739 N ASP A 50 -15.205 -11.982 6.778 1.00 0.00 N ATOM 740 CA ASP A 50 -14.275 -11.617 7.801 1.00 0.00 C ATOM 741 C ASP A 50 -13.946 -10.168 7.691 1.00 0.00 C ATOM 742 O ASP A 50 -13.951 -9.490 8.717 1.00 0.00 O ATOM 743 CB ASP A 50 -13.056 -12.547 7.686 1.00 0.00 C ATOM 744 CG ASP A 50 -12.157 -12.578 8.914 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.302 -11.667 9.075 1.00 0.00 O ATOM 746 OD2 ASP A 50 -12.322 -13.526 9.727 1.00 0.00 O ATOM 0 H ASP A 50 -14.758 -12.580 6.083 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.694 -11.747 8.799 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.407 -13.559 7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.462 -12.239 6.826 1.00 0.00 H new ATOM 751 N MET A 51 -13.706 -9.691 6.457 1.00 0.00 N ATOM 752 CA MET A 51 -13.343 -8.329 6.213 1.00 0.00 C ATOM 753 C MET A 51 -14.571 -7.490 6.303 1.00 0.00 C ATOM 754 O MET A 51 -14.510 -6.333 6.718 1.00 0.00 O ATOM 755 CB MET A 51 -12.706 -8.123 4.829 1.00 0.00 C ATOM 756 CG MET A 51 -13.652 -8.262 3.634 1.00 0.00 C ATOM 757 SD MET A 51 -12.846 -7.979 2.029 1.00 0.00 S ATOM 758 CE MET A 51 -11.549 -9.248 2.108 1.00 0.00 C ATOM 0 H MET A 51 -13.765 -10.261 5.613 1.00 0.00 H new ATOM 0 HA MET A 51 -12.602 -8.044 6.960 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.258 -7.130 4.800 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.895 -8.842 4.712 1.00 0.00 H new ATOM 0 HG2 MET A 51 -14.088 -9.261 3.641 1.00 0.00 H new ATOM 0 HG3 MET A 51 -14.474 -7.555 3.748 1.00 0.00 H new ATOM 0 HE1 MET A 51 -11.166 -9.440 1.106 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.737 -8.899 2.746 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.964 -10.168 2.520 1.00 0.00 H new ATOM 768 N ILE A 52 -15.787 -8.008 6.053 1.00 0.00 N ATOM 769 CA ILE A 52 -17.030 -7.323 6.225 1.00 0.00 C ATOM 770 C ILE A 52 -17.374 -7.042 7.647 1.00 0.00 C ATOM 771 O ILE A 52 -17.951 -6.002 7.962 1.00 0.00 O ATOM 772 CB ILE A 52 -18.108 -8.078 5.506 1.00 0.00 C ATOM 773 CG1 ILE A 52 -18.520 -7.333 4.225 1.00 0.00 C ATOM 774 CG2 ILE A 52 -19.388 -8.357 6.312 1.00 0.00 C ATOM 775 CD1 ILE A 52 -17.572 -7.451 3.032 1.00 0.00 C ATOM 0 H ILE A 52 -15.909 -8.961 5.711 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.930 -6.332 5.782 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.650 -9.046 5.301 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -19.501 -7.698 3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -18.634 -6.276 4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -20.096 -8.908 5.692 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -19.141 -8.949 7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -19.836 -7.413 6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -17.972 -6.883 2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -16.594 -7.055 3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -17.473 -8.499 2.748 1.00 0.00 H new ATOM 787 N ASN A 53 -17.040 -7.982 8.549 1.00 0.00 N ATOM 788 CA ASN A 53 -17.215 -7.832 9.960 1.00 0.00 C ATOM 789 C ASN A 53 -16.225 -6.874 10.529 1.00 0.00 C ATOM 790 O ASN A 53 -16.501 -6.150 11.484 1.00 0.00 O ATOM 791 CB ASN A 53 -17.009 -9.271 10.464 1.00 0.00 C ATOM 792 CG ASN A 53 -17.671 -9.367 11.831 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.886 -9.469 11.992 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.784 -9.473 12.857 1.00 0.00 N ATOM 0 H ASN A 53 -16.633 -8.880 8.286 1.00 0.00 H new ATOM 0 HA ASN A 53 -18.179 -7.416 10.251 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -17.450 -9.988 9.772 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.947 -9.506 10.533 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.119 -9.644 13.805 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.784 -9.382 12.678 1.00 0.00 H new ATOM 801 N GLU A 54 -15.043 -6.755 9.898 1.00 0.00 N ATOM 802 CA GLU A 54 -13.945 -5.976 10.380 1.00 0.00 C ATOM 803 C GLU A 54 -13.938 -4.517 10.076 1.00 0.00 C ATOM 804 O GLU A 54 -13.529 -3.682 10.882 1.00 0.00 O ATOM 805 CB GLU A 54 -12.641 -6.572 9.824 1.00 0.00 C ATOM 806 CG GLU A 54 -11.351 -6.147 10.530 1.00 0.00 C ATOM 807 CD GLU A 54 -10.158 -6.964 10.057 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.469 -6.565 9.080 1.00 0.00 O ATOM 809 OE2 GLU A 54 -9.745 -7.964 10.704 1.00 0.00 O ATOM 0 H GLU A 54 -14.844 -7.222 9.013 1.00 0.00 H new ATOM 0 HA GLU A 54 -14.047 -6.032 11.464 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.714 -7.659 9.868 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.561 -6.301 8.771 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.165 -5.089 10.344 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.469 -6.265 11.607 1.00 0.00 H new ATOM 816 N VAL A 55 -14.346 -4.131 8.854 1.00 0.00 N ATOM 817 CA VAL A 55 -14.529 -2.780 8.423 1.00 0.00 C ATOM 818 C VAL A 55 -15.628 -2.024 9.087 1.00 0.00 C ATOM 819 O VAL A 55 -15.590 -0.799 9.190 1.00 0.00 O ATOM 820 CB VAL A 55 -14.729 -2.582 6.950 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.482 -3.102 6.214 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.974 -3.267 6.363 1.00 0.00 C ATOM 0 H VAL A 55 -14.562 -4.806 8.121 1.00 0.00 H new ATOM 0 HA VAL A 55 -13.561 -2.382 8.729 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.886 -1.513 6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.610 -2.966 5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.605 -2.548 6.548 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.346 -4.161 6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -16.030 -3.065 5.293 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.908 -4.343 6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.867 -2.880 6.853 1.00 0.00 H new ATOM 832 N ASP A 56 -16.635 -2.733 9.629 1.00 0.00 N ATOM 833 CA ASP A 56 -17.877 -2.231 10.130 1.00 0.00 C ATOM 834 C ASP A 56 -17.612 -1.475 11.386 1.00 0.00 C ATOM 835 O ASP A 56 -17.255 -1.965 12.457 1.00 0.00 O ATOM 836 CB ASP A 56 -18.841 -3.420 10.281 1.00 0.00 C ATOM 837 CG ASP A 56 -20.248 -3.099 10.765 1.00 0.00 C ATOM 838 OD1 ASP A 56 -20.992 -2.357 10.070 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.609 -3.622 11.853 1.00 0.00 O ATOM 0 H ASP A 56 -16.572 -3.747 9.724 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.358 -1.525 9.453 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.919 -3.920 9.316 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.396 -4.133 10.975 1.00 0.00 H new ATOM 844 N ALA A 57 -17.936 -0.170 11.414 1.00 0.00 N ATOM 845 CA ALA A 57 -17.938 0.684 12.561 1.00 0.00 C ATOM 846 C ALA A 57 -19.155 0.560 13.411 1.00 0.00 C ATOM 847 O ALA A 57 -19.147 0.683 14.635 1.00 0.00 O ATOM 848 CB ALA A 57 -17.830 2.101 11.974 1.00 0.00 C ATOM 0 H ALA A 57 -18.218 0.325 10.568 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.121 0.420 13.233 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.824 2.831 12.784 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.907 2.188 11.400 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -18.682 2.290 11.321 1.00 0.00 H new ATOM 854 N ASP A 58 -20.360 0.606 12.816 1.00 0.00 N ATOM 855 CA ASP A 58 -21.615 0.841 13.460 1.00 0.00 C ATOM 856 C ASP A 58 -22.201 -0.338 14.157 1.00 0.00 C ATOM 857 O ASP A 58 -22.975 -0.253 15.110 1.00 0.00 O ATOM 858 CB ASP A 58 -22.624 1.584 12.568 1.00 0.00 C ATOM 859 CG ASP A 58 -23.066 0.864 11.301 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.309 -0.371 11.239 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.079 1.509 10.219 1.00 0.00 O ATOM 0 H ASP A 58 -20.463 0.469 11.811 1.00 0.00 H new ATOM 0 HA ASP A 58 -21.367 1.524 14.272 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.510 1.803 13.164 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -22.188 2.541 12.283 1.00 0.00 H new ATOM 866 N GLY A 59 -21.912 -1.576 13.719 1.00 0.00 N ATOM 867 CA GLY A 59 -22.352 -2.765 14.380 1.00 0.00 C ATOM 868 C GLY A 59 -23.172 -3.666 13.522 1.00 0.00 C ATOM 869 O GLY A 59 -23.377 -4.841 13.823 1.00 0.00 O ATOM 0 H GLY A 59 -21.357 -1.755 12.882 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -21.481 -3.314 14.737 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -22.935 -2.486 15.258 1.00 0.00 H new ATOM 873 N ASN A 60 -23.698 -3.172 12.387 1.00 0.00 N ATOM 874 CA ASN A 60 -24.585 -3.992 11.622 1.00 0.00 C ATOM 875 C ASN A 60 -23.982 -5.066 10.784 1.00 0.00 C ATOM 876 O ASN A 60 -24.593 -6.091 10.487 1.00 0.00 O ATOM 877 CB ASN A 60 -25.694 -3.301 10.810 1.00 0.00 C ATOM 878 CG ASN A 60 -25.183 -2.411 9.686 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.986 -2.350 9.410 1.00 0.00 O ATOM 880 ND2 ASN A 60 -26.131 -1.615 9.124 1.00 0.00 N ATOM 0 H ASN A 60 -23.519 -2.241 12.009 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.058 -4.461 12.485 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.347 -4.064 10.386 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.303 -2.700 11.486 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.865 -0.917 8.430 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -27.109 -1.716 9.397 1.00 0.00 H new ATOM 887 N GLY A 61 -22.686 -4.966 10.441 1.00 0.00 N ATOM 888 CA GLY A 61 -21.962 -5.978 9.737 1.00 0.00 C ATOM 889 C GLY A 61 -22.181 -5.944 8.264 1.00 0.00 C ATOM 890 O GLY A 61 -22.003 -6.884 7.491 1.00 0.00 O ATOM 0 H GLY A 61 -22.120 -4.147 10.663 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.898 -5.862 9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.255 -6.956 10.118 1.00 0.00 H new ATOM 894 N THR A 62 -22.497 -4.740 7.753 1.00 0.00 N ATOM 895 CA THR A 62 -22.742 -4.486 6.367 1.00 0.00 C ATOM 896 C THR A 62 -22.231 -3.105 6.138 1.00 0.00 C ATOM 897 O THR A 62 -22.366 -2.266 7.027 1.00 0.00 O ATOM 898 CB THR A 62 -24.166 -4.614 5.914 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.777 -5.761 6.486 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.273 -4.848 4.397 1.00 0.00 C ATOM 0 H THR A 62 -22.586 -3.906 8.333 1.00 0.00 H new ATOM 0 HA THR A 62 -22.240 -5.251 5.775 1.00 0.00 H new ATOM 0 HB THR A 62 -24.645 -3.682 6.214 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.705 -5.825 6.179 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.322 -4.934 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.823 -4.009 3.867 1.00 0.00 H new ATOM 0 HG23 THR A 62 -23.750 -5.767 4.133 1.00 0.00 H new ATOM 908 N ILE A 63 -21.675 -2.737 4.970 1.00 0.00 N ATOM 909 CA ILE A 63 -20.871 -1.560 4.860 1.00 0.00 C ATOM 910 C ILE A 63 -21.661 -0.393 4.373 1.00 0.00 C ATOM 911 O ILE A 63 -22.050 -0.301 3.210 1.00 0.00 O ATOM 912 CB ILE A 63 -19.675 -1.652 3.960 1.00 0.00 C ATOM 913 CG1 ILE A 63 -19.036 -3.051 3.984 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.686 -0.613 4.514 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.881 -3.113 2.986 1.00 0.00 C ATOM 0 H ILE A 63 -21.783 -3.257 4.099 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.516 -1.437 5.883 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.953 -1.469 2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.674 -3.278 4.987 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.783 -3.806 3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.779 -0.616 3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.141 0.377 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.436 -0.863 5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -17.433 -4.107 3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.255 -2.906 1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -17.129 -2.370 3.253 1.00 0.00 H new ATOM 927 N ASP A 64 -21.917 0.578 5.268 1.00 0.00 N ATOM 928 CA ASP A 64 -22.663 1.765 4.990 1.00 0.00 C ATOM 929 C ASP A 64 -21.760 2.772 4.364 1.00 0.00 C ATOM 930 O ASP A 64 -20.537 2.676 4.275 1.00 0.00 O ATOM 931 CB ASP A 64 -23.156 2.381 6.311 1.00 0.00 C ATOM 932 CG ASP A 64 -24.250 1.479 6.865 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.812 0.464 7.470 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.454 1.814 6.706 1.00 0.00 O ATOM 0 H ASP A 64 -21.587 0.532 6.232 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.497 1.511 4.336 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.335 2.467 7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.539 3.388 6.144 1.00 0.00 H new ATOM 939 N PHE A 65 -22.300 3.912 3.897 1.00 0.00 N ATOM 940 CA PHE A 65 -21.538 4.932 3.246 1.00 0.00 C ATOM 941 C PHE A 65 -20.486 5.535 4.113 1.00 0.00 C ATOM 942 O PHE A 65 -19.346 5.496 3.653 1.00 0.00 O ATOM 943 CB PHE A 65 -22.459 5.996 2.625 1.00 0.00 C ATOM 944 CG PHE A 65 -21.669 7.012 1.874 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.843 6.619 0.848 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.799 8.348 2.171 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.027 7.499 0.177 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.995 9.219 1.473 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.101 8.833 0.502 1.00 0.00 C ATOM 0 H PHE A 65 -23.293 4.130 3.974 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.994 4.443 2.438 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.174 5.518 1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.036 6.486 3.410 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.835 5.579 0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.499 8.697 2.916 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.346 7.151 -0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.071 10.272 1.702 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.473 9.559 0.007 1.00 0.00 H new ATOM 959 N PRO A 66 -20.676 6.085 5.276 1.00 0.00 N ATOM 960 CA PRO A 66 -19.616 6.686 6.032 1.00 0.00 C ATOM 961 C PRO A 66 -18.547 5.750 6.481 1.00 0.00 C ATOM 962 O PRO A 66 -17.440 6.164 6.822 1.00 0.00 O ATOM 963 CB PRO A 66 -20.250 7.297 7.280 1.00 0.00 C ATOM 964 CG PRO A 66 -21.622 6.611 7.373 1.00 0.00 C ATOM 965 CD PRO A 66 -21.952 6.430 5.883 1.00 0.00 C ATOM 0 HA PRO A 66 -19.130 7.406 5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.647 7.106 8.168 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.350 8.379 7.188 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.574 5.661 7.905 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.359 7.228 7.888 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.691 5.643 5.731 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.364 7.342 5.452 1.00 0.00 H new ATOM 973 N GLU A 67 -18.740 4.419 6.485 1.00 0.00 N ATOM 974 CA GLU A 67 -17.688 3.459 6.622 1.00 0.00 C ATOM 975 C GLU A 67 -16.958 3.173 5.355 1.00 0.00 C ATOM 976 O GLU A 67 -15.748 2.956 5.305 1.00 0.00 O ATOM 977 CB GLU A 67 -18.155 2.175 7.330 1.00 0.00 C ATOM 978 CG GLU A 67 -19.302 2.319 8.331 1.00 0.00 C ATOM 979 CD GLU A 67 -20.034 1.014 8.608 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.673 0.402 7.711 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.072 0.545 9.777 1.00 0.00 O ATOM 0 H GLU A 67 -19.663 3.995 6.389 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.954 3.934 7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.457 1.457 6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.300 1.745 7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.908 2.711 9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.014 3.052 7.952 1.00 0.00 H new ATOM 988 N PHE A 68 -17.600 3.174 4.173 1.00 0.00 N ATOM 989 CA PHE A 68 -16.924 3.189 2.913 1.00 0.00 C ATOM 990 C PHE A 68 -16.219 4.463 2.599 1.00 0.00 C ATOM 991 O PHE A 68 -15.189 4.483 1.927 1.00 0.00 O ATOM 992 CB PHE A 68 -17.936 2.823 1.814 1.00 0.00 C ATOM 993 CG PHE A 68 -17.465 2.761 0.402 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.843 1.638 -0.092 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.596 3.875 -0.393 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.300 1.636 -1.355 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.107 3.860 -1.678 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.421 2.760 -2.137 1.00 0.00 C ATOM 0 H PHE A 68 -18.617 3.164 4.091 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.124 2.451 2.967 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.359 1.850 2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.750 3.546 1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.781 0.749 0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -18.082 4.760 -0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.785 0.763 -1.728 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -17.261 4.710 -2.326 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.974 2.779 -3.120 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.703 5.575 3.180 1.00 0.00 N ATOM 1009 CA LEU A 69 -16.056 6.850 3.179 1.00 0.00 C ATOM 1010 C LEU A 69 -14.728 6.838 3.855 1.00 0.00 C ATOM 1011 O LEU A 69 -13.774 7.478 3.416 1.00 0.00 O ATOM 1012 CB LEU A 69 -17.026 7.942 3.660 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.843 9.466 3.565 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.135 10.123 4.079 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -15.674 10.018 4.398 1.00 0.00 C ATOM 0 H LEU A 69 -17.594 5.585 3.677 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.798 7.104 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.967 7.734 3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -17.185 7.738 4.719 1.00 0.00 H new ATOM 0 HG LEU A 69 -16.622 9.694 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.038 11.207 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.976 9.803 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -18.308 9.825 5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.617 11.099 4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.834 9.782 5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -14.742 9.564 4.062 1.00 0.00 H new ATOM 1027 N THR A 70 -14.630 5.918 4.830 1.00 0.00 N ATOM 1028 CA THR A 70 -13.425 5.641 5.548 1.00 0.00 C ATOM 1029 C THR A 70 -12.531 4.813 4.689 1.00 0.00 C ATOM 1030 O THR A 70 -11.375 5.149 4.438 1.00 0.00 O ATOM 1031 CB THR A 70 -13.656 5.014 6.891 1.00 0.00 C ATOM 1032 OG1 THR A 70 -13.864 6.042 7.848 1.00 0.00 O ATOM 1033 CG2 THR A 70 -12.486 4.184 7.446 1.00 0.00 C ATOM 0 H THR A 70 -15.419 5.345 5.130 1.00 0.00 H new ATOM 0 HA THR A 70 -12.941 6.592 5.771 1.00 0.00 H new ATOM 0 HB THR A 70 -14.505 4.348 6.737 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.018 5.642 8.729 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.758 3.777 8.420 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.262 3.367 6.760 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.607 4.820 7.552 1.00 0.00 H new ATOM 1041 N MET A 71 -12.996 3.709 4.077 1.00 0.00 N ATOM 1042 CA MET A 71 -12.240 2.866 3.203 1.00 0.00 C ATOM 1043 C MET A 71 -11.705 3.449 1.941 1.00 0.00 C ATOM 1044 O MET A 71 -10.600 3.150 1.490 1.00 0.00 O ATOM 1045 CB MET A 71 -13.179 1.745 2.725 1.00 0.00 C ATOM 1046 CG MET A 71 -13.416 0.702 3.818 1.00 0.00 C ATOM 1047 SD MET A 71 -14.971 -0.177 3.477 1.00 0.00 S ATOM 1048 CE MET A 71 -14.111 -1.289 2.328 1.00 0.00 C ATOM 0 H MET A 71 -13.956 3.386 4.200 1.00 0.00 H new ATOM 0 HA MET A 71 -11.377 2.587 3.808 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.133 2.175 2.419 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.751 1.261 1.847 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.585 -0.003 3.851 1.00 0.00 H new ATOM 0 HG3 MET A 71 -13.463 1.185 4.794 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.562 -1.210 1.339 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.059 -1.010 2.271 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.195 -2.316 2.684 1.00 0.00 H new ATOM 1058 N MET A 72 -12.462 4.389 1.348 1.00 0.00 N ATOM 1059 CA MET A 72 -12.005 5.208 0.268 1.00 0.00 C ATOM 1060 C MET A 72 -11.030 6.230 0.742 1.00 0.00 C ATOM 1061 O MET A 72 -10.066 6.537 0.043 1.00 0.00 O ATOM 1062 CB MET A 72 -13.168 5.783 -0.557 1.00 0.00 C ATOM 1063 CG MET A 72 -13.960 4.721 -1.323 1.00 0.00 C ATOM 1064 SD MET A 72 -13.294 4.184 -2.927 1.00 0.00 S ATOM 1065 CE MET A 72 -13.745 5.597 -3.974 1.00 0.00 C ATOM 0 H MET A 72 -13.423 4.586 1.629 1.00 0.00 H new ATOM 0 HA MET A 72 -11.457 4.574 -0.430 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.845 6.319 0.109 1.00 0.00 H new ATOM 0 HB3 MET A 72 -12.774 6.512 -1.265 1.00 0.00 H new ATOM 0 HG2 MET A 72 -14.052 3.843 -0.684 1.00 0.00 H new ATOM 0 HG3 MET A 72 -14.967 5.104 -1.487 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.684 5.307 -5.023 1.00 0.00 H new ATOM 0 HE2 MET A 72 -14.763 5.911 -3.743 1.00 0.00 H new ATOM 0 HE3 MET A 72 -13.059 6.423 -3.786 1.00 0.00 H new ATOM 1075 N ALA A 73 -11.205 6.875 1.910 1.00 0.00 N ATOM 1076 CA ALA A 73 -10.216 7.751 2.455 1.00 0.00 C ATOM 1077 C ALA A 73 -8.887 7.093 2.606 1.00 0.00 C ATOM 1078 O ALA A 73 -7.846 7.710 2.387 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.779 8.281 3.784 1.00 0.00 C ATOM 0 H ALA A 73 -12.044 6.787 2.483 1.00 0.00 H new ATOM 0 HA ALA A 73 -10.022 8.579 1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.057 8.958 4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.710 8.816 3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.970 7.445 4.457 1.00 0.00 H new ATOM 1234 N GLU A 83 4.550 5.838 -3.531 1.00 0.00 N ATOM 1235 CA GLU A 83 5.872 6.383 -3.545 1.00 0.00 C ATOM 1236 C GLU A 83 6.572 6.360 -2.230 1.00 0.00 C ATOM 1237 O GLU A 83 7.787 6.168 -2.236 1.00 0.00 O ATOM 1238 CB GLU A 83 5.945 7.837 -4.042 1.00 0.00 C ATOM 1239 CG GLU A 83 5.480 8.114 -5.473 1.00 0.00 C ATOM 1240 CD GLU A 83 5.905 7.121 -6.545 1.00 0.00 C ATOM 1241 OE1 GLU A 83 5.220 6.075 -6.702 1.00 0.00 O ATOM 1242 OE2 GLU A 83 6.979 7.295 -7.180 1.00 0.00 O ATOM 0 HA GLU A 83 6.371 5.711 -4.243 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.350 8.454 -3.369 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.978 8.173 -3.952 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.391 8.164 -5.471 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.844 9.100 -5.762 1.00 0.00 H new ATOM 1249 N GLU A 84 5.855 6.409 -1.093 1.00 0.00 N ATOM 1250 CA GLU A 84 6.527 6.198 0.151 1.00 0.00 C ATOM 1251 C GLU A 84 7.128 4.842 0.300 1.00 0.00 C ATOM 1252 O GLU A 84 8.278 4.776 0.731 1.00 0.00 O ATOM 1253 CB GLU A 84 5.563 6.457 1.321 1.00 0.00 C ATOM 1254 CG GLU A 84 6.033 6.414 2.776 1.00 0.00 C ATOM 1255 CD GLU A 84 5.054 6.986 3.791 1.00 0.00 C ATOM 1256 OE1 GLU A 84 4.631 8.156 3.591 1.00 0.00 O ATOM 1257 OE2 GLU A 84 4.772 6.299 4.809 1.00 0.00 O ATOM 0 H GLU A 84 4.852 6.587 -1.032 1.00 0.00 H new ATOM 0 HA GLU A 84 7.355 6.907 0.162 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.128 7.443 1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.754 5.733 1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.244 5.378 3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.973 6.961 2.854 1.00 0.00 H new ATOM 1264 N ILE A 85 6.393 3.762 -0.018 1.00 0.00 N ATOM 1265 CA ILE A 85 6.903 2.432 0.114 1.00 0.00 C ATOM 1266 C ILE A 85 8.050 2.207 -0.809 1.00 0.00 C ATOM 1267 O ILE A 85 8.989 1.515 -0.419 1.00 0.00 O ATOM 1268 CB ILE A 85 5.907 1.317 0.229 1.00 0.00 C ATOM 1269 CG1 ILE A 85 5.238 1.019 -1.123 1.00 0.00 C ATOM 1270 CG2 ILE A 85 4.909 1.733 1.323 1.00 0.00 C ATOM 1271 CD1 ILE A 85 4.259 -0.143 -0.964 1.00 0.00 C ATOM 0 H ILE A 85 5.437 3.811 -0.370 1.00 0.00 H new ATOM 0 HA ILE A 85 7.302 2.376 1.127 1.00 0.00 H new ATOM 0 HB ILE A 85 6.387 0.379 0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.713 1.904 -1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.994 0.772 -1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.159 0.952 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.440 1.879 2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.420 2.663 1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.785 -0.353 -1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.797 -1.028 -0.623 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.496 0.122 -0.233 1.00 0.00 H new ATOM 1283 N ARG A 86 8.074 2.711 -2.056 1.00 0.00 N ATOM 1284 CA ARG A 86 9.172 2.692 -2.973 1.00 0.00 C ATOM 1285 C ARG A 86 10.480 3.199 -2.473 1.00 0.00 C ATOM 1286 O ARG A 86 11.501 2.512 -2.478 1.00 0.00 O ATOM 1287 CB ARG A 86 8.848 3.257 -4.366 1.00 0.00 C ATOM 1288 CG ARG A 86 9.726 2.647 -5.461 1.00 0.00 C ATOM 1289 CD ARG A 86 9.259 3.116 -6.840 1.00 0.00 C ATOM 1290 NE ARG A 86 9.659 2.066 -7.819 1.00 0.00 N ATOM 1291 CZ ARG A 86 9.617 2.145 -9.181 1.00 0.00 C ATOM 1292 NH1 ARG A 86 9.111 3.242 -9.815 1.00 0.00 N ATOM 1293 NH2 ARG A 86 10.052 1.070 -9.902 1.00 0.00 N ATOM 0 H ARG A 86 7.255 3.170 -2.455 1.00 0.00 H new ATOM 0 HA ARG A 86 9.321 1.617 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.800 3.068 -4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.982 4.339 -4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.766 2.934 -5.305 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.684 1.559 -5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.179 3.262 -6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.713 4.074 -7.095 1.00 0.00 H new ATOM 0 HE ARG A 86 10.003 1.189 -7.427 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.753 4.026 -9.270 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.090 3.278 -10.834 1.00 0.00 H new ATOM 0 HH21 ARG A 86 10.396 0.239 -9.421 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.033 1.098 -10.921 1.00 0.00 H new ATOM 1307 N GLU A 87 10.510 4.443 -1.963 1.00 0.00 N ATOM 1308 CA GLU A 87 11.638 4.952 -1.245 1.00 0.00 C ATOM 1309 C GLU A 87 12.050 4.132 -0.071 1.00 0.00 C ATOM 1310 O GLU A 87 13.213 4.101 0.329 1.00 0.00 O ATOM 1311 CB GLU A 87 11.349 6.432 -0.943 1.00 0.00 C ATOM 1312 CG GLU A 87 12.645 7.148 -0.559 1.00 0.00 C ATOM 1313 CD GLU A 87 12.493 8.651 -0.374 1.00 0.00 C ATOM 1314 OE1 GLU A 87 11.362 9.173 -0.187 1.00 0.00 O ATOM 1315 OE2 GLU A 87 13.563 9.310 -0.286 1.00 0.00 O ATOM 0 H GLU A 87 9.740 5.106 -2.050 1.00 0.00 H new ATOM 0 HA GLU A 87 12.533 4.880 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 87 10.904 6.910 -1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.625 6.512 -0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.026 6.716 0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.393 6.961 -1.330 1.00 0.00 H new ATOM 1322 N ALA A 88 11.086 3.552 0.665 1.00 0.00 N ATOM 1323 CA ALA A 88 11.380 2.824 1.859 1.00 0.00 C ATOM 1324 C ALA A 88 11.916 1.448 1.660 1.00 0.00 C ATOM 1325 O ALA A 88 12.583 0.889 2.529 1.00 0.00 O ATOM 1326 CB ALA A 88 10.117 2.751 2.733 1.00 0.00 C ATOM 0 H ALA A 88 10.094 3.588 0.430 1.00 0.00 H new ATOM 0 HA ALA A 88 12.184 3.380 2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.337 2.196 3.645 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.794 3.760 2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.323 2.245 2.184 1.00 0.00 H new ATOM 1332 N PHE A 89 11.724 0.885 0.453 1.00 0.00 N ATOM 1333 CA PHE A 89 12.316 -0.363 0.083 1.00 0.00 C ATOM 1334 C PHE A 89 13.787 -0.436 0.308 1.00 0.00 C ATOM 1335 O PHE A 89 14.250 -1.289 1.063 1.00 0.00 O ATOM 1336 CB PHE A 89 11.979 -0.519 -1.410 1.00 0.00 C ATOM 1337 CG PHE A 89 12.253 -1.910 -1.868 1.00 0.00 C ATOM 1338 CD1 PHE A 89 11.571 -2.975 -1.326 1.00 0.00 C ATOM 1339 CD2 PHE A 89 13.149 -2.228 -2.861 1.00 0.00 C ATOM 1340 CE1 PHE A 89 11.662 -4.269 -1.782 1.00 0.00 C ATOM 1341 CE2 PHE A 89 13.413 -3.526 -3.231 1.00 0.00 C ATOM 1342 CZ PHE A 89 12.671 -4.542 -2.675 1.00 0.00 C ATOM 0 H PHE A 89 11.148 1.303 -0.278 1.00 0.00 H new ATOM 0 HA PHE A 89 11.922 -1.166 0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.930 -0.275 -1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 89 12.569 0.185 -1.997 1.00 0.00 H new ATOM 0 HD1 PHE A 89 10.920 -2.782 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.665 -1.428 -3.370 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.974 -5.034 -1.454 1.00 0.00 H new ATOM 0 HE2 PHE A 89 14.191 -3.744 -3.947 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.884 -5.566 -2.943 1.00 0.00 H new ATOM 1352 N ARG A 90 14.527 0.594 -0.141 1.00 0.00 N ATOM 1353 CA ARG A 90 15.935 0.835 -0.062 1.00 0.00 C ATOM 1354 C ARG A 90 16.369 1.334 1.273 1.00 0.00 C ATOM 1355 O ARG A 90 17.560 1.470 1.551 1.00 0.00 O ATOM 1356 CB ARG A 90 16.400 1.706 -1.241 1.00 0.00 C ATOM 1357 CG ARG A 90 17.867 1.560 -1.650 1.00 0.00 C ATOM 1358 CD ARG A 90 18.265 2.565 -2.733 1.00 0.00 C ATOM 1359 NE ARG A 90 18.068 3.921 -2.148 1.00 0.00 N ATOM 1360 CZ ARG A 90 19.124 4.697 -1.768 1.00 0.00 C ATOM 1361 NH1 ARG A 90 20.400 4.235 -1.617 1.00 0.00 N ATOM 1362 NH2 ARG A 90 18.881 6.030 -1.602 1.00 0.00 N ATOM 0 H ARG A 90 14.067 1.363 -0.627 1.00 0.00 H new ATOM 0 HA ARG A 90 16.446 -0.123 -0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.778 1.473 -2.105 1.00 0.00 H new ATOM 0 HB3 ARG A 90 16.217 2.750 -0.989 1.00 0.00 H new ATOM 0 HG2 ARG A 90 18.502 1.699 -0.775 1.00 0.00 H new ATOM 0 HG3 ARG A 90 18.043 0.547 -2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 90 19.303 2.420 -3.034 1.00 0.00 H new ATOM 0 HD3 ARG A 90 17.653 2.435 -3.626 1.00 0.00 H new ATOM 0 HE ARG A 90 17.120 4.278 -2.029 1.00 0.00 H new ATOM 0 HH11 ARG A 90 20.611 3.252 -1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 90 21.143 4.873 -1.330 1.00 0.00 H new ATOM 0 HH21 ARG A 90 17.944 6.401 -1.761 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.636 6.655 -1.319 1.00 0.00 H new ATOM 1376 N VAL A 91 15.446 1.793 2.137 1.00 0.00 N ATOM 1377 CA VAL A 91 15.738 2.052 3.513 1.00 0.00 C ATOM 1378 C VAL A 91 15.837 0.856 4.396 1.00 0.00 C ATOM 1379 O VAL A 91 16.642 0.836 5.326 1.00 0.00 O ATOM 1380 CB VAL A 91 14.661 2.944 4.056 1.00 0.00 C ATOM 1381 CG1 VAL A 91 14.537 3.065 5.584 1.00 0.00 C ATOM 1382 CG2 VAL A 91 14.616 4.371 3.485 1.00 0.00 C ATOM 0 H VAL A 91 14.480 1.988 1.876 1.00 0.00 H new ATOM 0 HA VAL A 91 16.730 2.503 3.522 1.00 0.00 H new ATOM 0 HB VAL A 91 13.811 2.368 3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.718 3.741 5.830 1.00 0.00 H new ATOM 0 HG12 VAL A 91 14.337 2.083 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.467 3.457 5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 91 13.799 4.923 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 91 15.560 4.876 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.457 4.327 2.408 1.00 0.00 H new ATOM 1392 N PHE A 92 15.062 -0.191 4.063 1.00 0.00 N ATOM 1393 CA PHE A 92 14.915 -1.407 4.801 1.00 0.00 C ATOM 1394 C PHE A 92 15.942 -2.389 4.355 1.00 0.00 C ATOM 1395 O PHE A 92 16.459 -3.191 5.130 1.00 0.00 O ATOM 1396 CB PHE A 92 13.516 -1.999 4.559 1.00 0.00 C ATOM 1397 CG PHE A 92 12.366 -1.314 5.213 1.00 0.00 C ATOM 1398 CD1 PHE A 92 12.443 -0.818 6.493 1.00 0.00 C ATOM 1399 CD2 PHE A 92 11.228 -1.154 4.458 1.00 0.00 C ATOM 1400 CE1 PHE A 92 11.410 -0.039 6.958 1.00 0.00 C ATOM 1401 CE2 PHE A 92 10.159 -0.434 4.935 1.00 0.00 C ATOM 1402 CZ PHE A 92 10.255 0.054 6.217 1.00 0.00 C ATOM 0 H PHE A 92 14.496 -0.186 3.214 1.00 0.00 H new ATOM 0 HA PHE A 92 15.043 -1.195 5.863 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.335 -2.011 3.484 1.00 0.00 H new ATOM 0 HB3 PHE A 92 13.526 -3.037 4.893 1.00 0.00 H new ATOM 0 HD1 PHE A 92 13.296 -1.035 7.119 1.00 0.00 H new ATOM 0 HD2 PHE A 92 11.173 -1.601 3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 92 11.504 0.493 7.893 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.282 -0.259 4.330 1.00 0.00 H new ATOM 0 HZ PHE A 92 9.391 0.528 6.659 1.00 0.00 H new ATOM 1412 N ASP A 93 16.264 -2.350 3.049 1.00 0.00 N ATOM 1413 CA ASP A 93 17.263 -3.170 2.438 1.00 0.00 C ATOM 1414 C ASP A 93 18.598 -2.805 2.992 1.00 0.00 C ATOM 1415 O ASP A 93 19.196 -1.800 2.612 1.00 0.00 O ATOM 1416 CB ASP A 93 17.270 -2.893 0.925 1.00 0.00 C ATOM 1417 CG ASP A 93 17.933 -4.038 0.173 1.00 0.00 C ATOM 1418 OD1 ASP A 93 18.530 -4.877 0.899 1.00 0.00 O ATOM 1419 OD2 ASP A 93 17.877 -4.157 -1.080 1.00 0.00 O ATOM 0 H ASP A 93 15.807 -1.719 2.391 1.00 0.00 H new ATOM 0 HA ASP A 93 17.051 -4.221 2.632 1.00 0.00 H new ATOM 0 HB2 ASP A 93 16.248 -2.761 0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 93 17.801 -1.963 0.723 1.00 0.00 H new ATOM 1424 N LYS A 94 19.186 -3.660 3.848 1.00 0.00 N ATOM 1425 CA LYS A 94 20.215 -3.355 4.793 1.00 0.00 C ATOM 1426 C LYS A 94 21.553 -3.511 4.156 1.00 0.00 C ATOM 1427 O LYS A 94 22.340 -2.576 4.019 1.00 0.00 O ATOM 1428 CB LYS A 94 20.097 -3.992 6.188 1.00 0.00 C ATOM 1429 CG LYS A 94 21.266 -3.819 7.161 1.00 0.00 C ATOM 1430 CD LYS A 94 21.392 -2.385 7.679 1.00 0.00 C ATOM 1431 CE LYS A 94 22.734 -2.081 8.348 1.00 0.00 C ATOM 1432 NZ LYS A 94 22.866 -0.646 8.687 1.00 0.00 N ATOM 0 H LYS A 94 18.919 -4.644 3.880 1.00 0.00 H new ATOM 0 HA LYS A 94 20.069 -2.306 5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 94 19.204 -3.588 6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 94 19.931 -5.061 6.053 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.135 -4.496 8.005 1.00 0.00 H new ATOM 0 HG3 LYS A 94 22.193 -4.105 6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.248 -1.695 6.847 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.591 -2.196 8.393 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.832 -2.679 9.254 1.00 0.00 H new ATOM 0 HE3 LYS A 94 23.546 -2.374 7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 23.788 -0.479 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 22.797 -0.077 7.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.106 -0.373 9.342 1.00 0.00 H new ATOM 1446 N ASP A 95 21.784 -4.767 3.735 1.00 0.00 N ATOM 1447 CA ASP A 95 22.866 -5.261 2.941 1.00 0.00 C ATOM 1448 C ASP A 95 22.904 -4.537 1.639 1.00 0.00 C ATOM 1449 O ASP A 95 23.962 -4.279 1.066 1.00 0.00 O ATOM 1450 CB ASP A 95 22.624 -6.772 2.794 1.00 0.00 C ATOM 1451 CG ASP A 95 21.249 -7.194 2.295 1.00 0.00 C ATOM 1452 OD1 ASP A 95 20.188 -6.962 2.934 1.00 0.00 O ATOM 1453 OD2 ASP A 95 21.091 -7.707 1.155 1.00 0.00 O ATOM 0 H ASP A 95 21.138 -5.518 3.980 1.00 0.00 H new ATOM 0 HA ASP A 95 23.842 -5.094 3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 95 23.373 -7.173 2.111 1.00 0.00 H new ATOM 0 HB3 ASP A 95 22.794 -7.241 3.763 1.00 0.00 H new ATOM 1458 N GLY A 96 21.733 -4.228 1.055 1.00 0.00 N ATOM 1459 CA GLY A 96 21.555 -3.541 -0.187 1.00 0.00 C ATOM 1460 C GLY A 96 21.889 -4.338 -1.400 1.00 0.00 C ATOM 1461 O GLY A 96 22.724 -3.916 -2.199 1.00 0.00 O ATOM 0 H GLY A 96 20.843 -4.478 1.485 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.517 -3.215 -0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 96 22.172 -2.642 -0.180 1.00 0.00 H new ATOM 1465 N ASN A 97 21.192 -5.478 -1.553 1.00 0.00 N ATOM 1466 CA ASN A 97 21.401 -6.263 -2.730 1.00 0.00 C ATOM 1467 C ASN A 97 20.462 -5.923 -3.835 1.00 0.00 C ATOM 1468 O ASN A 97 20.699 -6.278 -4.989 1.00 0.00 O ATOM 1469 CB ASN A 97 21.312 -7.757 -2.376 1.00 0.00 C ATOM 1470 CG ASN A 97 20.042 -8.239 -1.689 1.00 0.00 C ATOM 1471 OD1 ASN A 97 19.266 -7.598 -0.982 1.00 0.00 O ATOM 1472 ND2 ASN A 97 19.768 -9.557 -1.880 1.00 0.00 N ATOM 0 H ASN A 97 20.509 -5.846 -0.891 1.00 0.00 H new ATOM 0 HA ASN A 97 22.399 -6.031 -3.102 1.00 0.00 H new ATOM 0 HB2 ASN A 97 21.436 -8.329 -3.296 1.00 0.00 H new ATOM 0 HB3 ASN A 97 22.157 -8.002 -1.732 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.946 -9.975 -1.444 1.00 0.00 H new ATOM 0 HD22 ASN A 97 20.384 -10.127 -2.459 1.00 0.00 H new ATOM 1479 N GLY A 98 19.272 -5.393 -3.500 1.00 0.00 N ATOM 1480 CA GLY A 98 18.183 -5.043 -4.358 1.00 0.00 C ATOM 1481 C GLY A 98 16.927 -5.784 -4.053 1.00 0.00 C ATOM 1482 O GLY A 98 16.103 -5.912 -4.957 1.00 0.00 O ATOM 0 H GLY A 98 19.053 -5.190 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 98 17.994 -3.973 -4.275 1.00 0.00 H new ATOM 0 HA3 GLY A 98 18.468 -5.237 -5.392 1.00 0.00 H new ATOM 1486 N TYR A 99 16.845 -6.391 -2.855 1.00 0.00 N ATOM 1487 CA TYR A 99 15.803 -7.269 -2.423 1.00 0.00 C ATOM 1488 C TYR A 99 15.702 -7.244 -0.937 1.00 0.00 C ATOM 1489 O TYR A 99 16.603 -6.904 -0.172 1.00 0.00 O ATOM 1490 CB TYR A 99 16.229 -8.704 -2.778 1.00 0.00 C ATOM 1491 CG TYR A 99 16.287 -8.998 -4.238 1.00 0.00 C ATOM 1492 CD1 TYR A 99 15.188 -8.930 -5.061 1.00 0.00 C ATOM 1493 CD2 TYR A 99 17.545 -9.139 -4.776 1.00 0.00 C ATOM 1494 CE1 TYR A 99 15.377 -8.889 -6.422 1.00 0.00 C ATOM 1495 CE2 TYR A 99 17.704 -9.223 -6.139 1.00 0.00 C ATOM 1496 CZ TYR A 99 16.612 -9.145 -6.970 1.00 0.00 C ATOM 1497 OH TYR A 99 16.679 -9.442 -8.348 1.00 0.00 O ATOM 0 H TYR A 99 17.559 -6.257 -2.139 1.00 0.00 H new ATOM 0 HA TYR A 99 14.864 -6.967 -2.888 1.00 0.00 H new ATOM 0 HB2 TYR A 99 17.211 -8.894 -2.345 1.00 0.00 H new ATOM 0 HB3 TYR A 99 15.534 -9.400 -2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 99 14.192 -8.909 -4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 99 18.408 -9.184 -4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 99 14.545 -8.653 -7.069 1.00 0.00 H new ATOM 0 HE2 TYR A 99 18.691 -9.351 -6.558 1.00 0.00 H new ATOM 0 HH TYR A 99 17.612 -9.601 -8.603 1.00 0.00 H new ATOM 1507 N ILE A 100 14.520 -7.579 -0.388 1.00 0.00 N ATOM 1508 CA ILE A 100 14.350 -7.715 1.025 1.00 0.00 C ATOM 1509 C ILE A 100 14.340 -9.174 1.329 1.00 0.00 C ATOM 1510 O ILE A 100 13.485 -9.937 0.882 1.00 0.00 O ATOM 1511 CB ILE A 100 13.148 -6.998 1.565 1.00 0.00 C ATOM 1512 CG1 ILE A 100 13.294 -5.481 1.357 1.00 0.00 C ATOM 1513 CG2 ILE A 100 13.038 -7.084 3.096 1.00 0.00 C ATOM 1514 CD1 ILE A 100 11.997 -4.708 1.589 1.00 0.00 C ATOM 0 H ILE A 100 13.674 -7.757 -0.930 1.00 0.00 H new ATOM 0 HA ILE A 100 15.180 -7.226 1.536 1.00 0.00 H new ATOM 0 HB ILE A 100 12.304 -7.461 1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 100 14.060 -5.101 2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 100 13.643 -5.293 0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 100 12.149 -6.547 3.428 1.00 0.00 H new ATOM 0 HG22 ILE A 100 12.964 -8.129 3.397 1.00 0.00 H new ATOM 0 HG23 ILE A 100 13.922 -6.637 3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 100 12.173 -3.645 1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 100 11.234 -5.061 0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 100 11.657 -4.866 2.613 1.00 0.00 H new ATOM 1526 N SER A 101 15.234 -9.682 2.195 1.00 0.00 N ATOM 1527 CA SER A 101 15.163 -11.059 2.574 1.00 0.00 C ATOM 1528 C SER A 101 14.046 -11.244 3.543 1.00 0.00 C ATOM 1529 O SER A 101 13.463 -10.342 4.141 1.00 0.00 O ATOM 1530 CB SER A 101 16.464 -11.570 3.215 1.00 0.00 C ATOM 1531 OG SER A 101 16.879 -10.902 4.397 1.00 0.00 O ATOM 0 H SER A 101 15.992 -9.152 2.626 1.00 0.00 H new ATOM 0 HA SER A 101 14.997 -11.634 1.663 1.00 0.00 H new ATOM 0 HB2 SER A 101 16.342 -12.629 3.443 1.00 0.00 H new ATOM 0 HB3 SER A 101 17.263 -11.493 2.478 1.00 0.00 H new ATOM 0 HG SER A 101 17.067 -9.962 4.193 1.00 0.00 H new ATOM 1537 N ALA A 102 13.542 -12.473 3.753 1.00 0.00 N ATOM 1538 CA ALA A 102 12.637 -12.801 4.810 1.00 0.00 C ATOM 1539 C ALA A 102 13.095 -12.339 6.151 1.00 0.00 C ATOM 1540 O ALA A 102 12.288 -11.831 6.929 1.00 0.00 O ATOM 1541 CB ALA A 102 12.171 -14.266 4.792 1.00 0.00 C ATOM 0 H ALA A 102 13.775 -13.271 3.162 1.00 0.00 H new ATOM 0 HA ALA A 102 11.740 -12.219 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.487 -14.441 5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 102 11.660 -14.474 3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 102 13.035 -14.924 4.889 1.00 0.00 H new ATOM 1547 N ALA A 103 14.383 -12.577 6.457 1.00 0.00 N ATOM 1548 CA ALA A 103 15.061 -12.059 7.604 1.00 0.00 C ATOM 1549 C ALA A 103 14.920 -10.592 7.821 1.00 0.00 C ATOM 1550 O ALA A 103 14.534 -10.165 8.908 1.00 0.00 O ATOM 1551 CB ALA A 103 16.517 -12.555 7.610 1.00 0.00 C ATOM 0 H ALA A 103 14.982 -13.161 5.874 1.00 0.00 H new ATOM 0 HA ALA A 103 14.554 -12.462 8.481 1.00 0.00 H new ATOM 0 HB1 ALA A 103 17.033 -12.159 8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 103 16.530 -13.644 7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 103 17.022 -12.213 6.706 1.00 0.00 H new ATOM 1557 N GLU A 104 15.120 -9.759 6.784 1.00 0.00 N ATOM 1558 CA GLU A 104 14.768 -8.373 6.801 1.00 0.00 C ATOM 1559 C GLU A 104 13.315 -8.114 7.007 1.00 0.00 C ATOM 1560 O GLU A 104 12.886 -7.417 7.925 1.00 0.00 O ATOM 1561 CB GLU A 104 15.344 -7.619 5.591 1.00 0.00 C ATOM 1562 CG GLU A 104 16.868 -7.534 5.490 1.00 0.00 C ATOM 1563 CD GLU A 104 17.231 -7.377 4.020 1.00 0.00 C ATOM 1564 OE1 GLU A 104 17.305 -8.403 3.293 1.00 0.00 O ATOM 1565 OE2 GLU A 104 17.468 -6.260 3.487 1.00 0.00 O ATOM 0 H GLU A 104 15.541 -10.060 5.905 1.00 0.00 H new ATOM 0 HA GLU A 104 15.245 -7.962 7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.970 -8.096 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.948 -6.604 5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.242 -6.689 6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.328 -8.431 5.903 1.00 0.00 H new ATOM 1572 N LEU A 105 12.454 -8.707 6.161 1.00 0.00 N ATOM 1573 CA LEU A 105 11.033 -8.562 6.105 1.00 0.00 C ATOM 1574 C LEU A 105 10.366 -8.709 7.429 1.00 0.00 C ATOM 1575 O LEU A 105 9.511 -7.886 7.750 1.00 0.00 O ATOM 1576 CB LEU A 105 10.365 -9.379 4.986 1.00 0.00 C ATOM 1577 CG LEU A 105 8.894 -9.047 4.683 1.00 0.00 C ATOM 1578 CD1 LEU A 105 8.621 -9.110 3.171 1.00 0.00 C ATOM 1579 CD2 LEU A 105 7.823 -9.894 5.392 1.00 0.00 C ATOM 0 H LEU A 105 12.790 -9.352 5.446 1.00 0.00 H new ATOM 0 HA LEU A 105 10.874 -7.522 5.820 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.942 -9.242 4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 105 10.430 -10.435 5.248 1.00 0.00 H new ATOM 0 HG LEU A 105 8.791 -8.041 5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.575 -8.872 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 105 9.257 -8.390 2.656 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.838 -10.113 2.804 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.832 -9.555 5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.948 -10.942 5.118 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.930 -9.786 6.471 1.00 0.00 H new ATOM 1591 N ARG A 106 10.665 -9.730 8.252 1.00 0.00 N ATOM 1592 CA ARG A 106 9.998 -9.930 9.501 1.00 0.00 C ATOM 1593 C ARG A 106 10.323 -8.965 10.588 1.00 0.00 C ATOM 1594 O ARG A 106 9.475 -8.708 11.442 1.00 0.00 O ATOM 1595 CB ARG A 106 10.119 -11.393 9.960 1.00 0.00 C ATOM 1596 CG ARG A 106 11.512 -11.974 10.212 1.00 0.00 C ATOM 1597 CD ARG A 106 11.480 -13.500 10.107 1.00 0.00 C ATOM 1598 NE ARG A 106 10.463 -13.934 11.106 1.00 0.00 N ATOM 1599 CZ ARG A 106 9.620 -14.974 10.836 1.00 0.00 C ATOM 1600 NH1 ARG A 106 9.753 -15.719 9.701 1.00 0.00 N ATOM 1601 NH2 ARG A 106 8.646 -15.314 11.729 1.00 0.00 N ATOM 0 H ARG A 106 11.381 -10.427 8.047 1.00 0.00 H new ATOM 0 HA ARG A 106 8.953 -9.706 9.289 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.546 -11.498 10.881 1.00 0.00 H new ATOM 0 HB3 ARG A 106 9.633 -12.016 9.209 1.00 0.00 H new ATOM 0 HG2 ARG A 106 12.219 -11.568 9.488 1.00 0.00 H new ATOM 0 HG3 ARG A 106 11.863 -11.678 11.201 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.208 -13.821 9.102 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.457 -13.931 10.325 1.00 0.00 H new ATOM 0 HE ARG A 106 10.396 -13.449 12.001 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.494 -15.504 9.034 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.112 -16.491 9.520 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.547 -14.791 12.599 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.017 -16.091 11.526 1.00 0.00 H new ATOM 1615 N HIS A 107 11.485 -8.290 10.533 1.00 0.00 N ATOM 1616 CA HIS A 107 11.861 -7.286 11.479 1.00 0.00 C ATOM 1617 C HIS A 107 11.157 -6.035 11.078 1.00 0.00 C ATOM 1618 O HIS A 107 10.667 -5.265 11.903 1.00 0.00 O ATOM 1619 CB HIS A 107 13.365 -6.995 11.614 1.00 0.00 C ATOM 1620 CG HIS A 107 13.771 -5.931 12.590 1.00 0.00 C ATOM 1621 ND1 HIS A 107 14.320 -6.198 13.828 1.00 0.00 N ATOM 1622 CD2 HIS A 107 13.670 -4.579 12.483 1.00 0.00 C ATOM 1623 CE1 HIS A 107 14.515 -4.988 14.418 1.00 0.00 C ATOM 1624 NE2 HIS A 107 14.121 -3.992 13.647 1.00 0.00 N ATOM 0 H HIS A 107 12.185 -8.448 9.808 1.00 0.00 H new ATOM 0 HA HIS A 107 11.578 -7.666 12.461 1.00 0.00 H new ATOM 0 HB2 HIS A 107 13.865 -7.922 11.897 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.745 -6.715 10.631 1.00 0.00 H new ATOM 0 HD2 HIS A 107 13.295 -4.048 11.621 1.00 0.00 H new ATOM 0 HE1 HIS A 107 14.942 -4.858 15.401 1.00 0.00 H new ATOM 0 HE2 HIS A 107 14.145 -2.996 13.866 1.00 0.00 H new ATOM 1632 N VAL A 108 11.092 -5.703 9.777 1.00 0.00 N ATOM 1633 CA VAL A 108 10.458 -4.583 9.153 1.00 0.00 C ATOM 1634 C VAL A 108 9.037 -4.516 9.598 1.00 0.00 C ATOM 1635 O VAL A 108 8.575 -3.445 9.988 1.00 0.00 O ATOM 1636 CB VAL A 108 10.537 -4.575 7.655 1.00 0.00 C ATOM 1637 CG1 VAL A 108 9.694 -3.516 6.925 1.00 0.00 C ATOM 1638 CG2 VAL A 108 11.990 -4.307 7.230 1.00 0.00 C ATOM 0 H VAL A 108 11.541 -6.296 9.079 1.00 0.00 H new ATOM 0 HA VAL A 108 11.010 -3.699 9.471 1.00 0.00 H new ATOM 0 HB VAL A 108 10.145 -5.552 7.373 1.00 0.00 H new ATOM 0 HG11 VAL A 108 9.838 -3.615 5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 108 8.641 -3.661 7.165 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.005 -2.521 7.243 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.055 -4.300 6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 108 12.311 -3.341 7.619 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.636 -5.090 7.627 1.00 0.00 H new ATOM 1648 N MET A 109 8.366 -5.682 9.590 1.00 0.00 N ATOM 1649 CA MET A 109 6.988 -5.782 9.958 1.00 0.00 C ATOM 1650 C MET A 109 6.733 -5.560 11.409 1.00 0.00 C ATOM 1651 O MET A 109 5.667 -5.029 11.716 1.00 0.00 O ATOM 1652 CB MET A 109 6.428 -7.154 9.546 1.00 0.00 C ATOM 1653 CG MET A 109 6.359 -7.293 8.024 1.00 0.00 C ATOM 1654 SD MET A 109 5.313 -6.183 7.035 1.00 0.00 S ATOM 1655 CE MET A 109 6.190 -6.255 5.447 1.00 0.00 C ATOM 0 H MET A 109 8.788 -6.571 9.323 1.00 0.00 H new ATOM 0 HA MET A 109 6.478 -4.981 9.424 1.00 0.00 H new ATOM 0 HB2 MET A 109 7.057 -7.944 9.957 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.433 -7.285 9.971 1.00 0.00 H new ATOM 0 HG2 MET A 109 7.377 -7.194 7.647 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.037 -8.312 7.810 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.678 -5.625 4.720 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.212 -5.899 5.579 1.00 0.00 H new ATOM 0 HE3 MET A 109 6.208 -7.284 5.087 1.00 0.00 H new ATOM 1665 N THR A 110 7.683 -5.887 12.302 1.00 0.00 N ATOM 1666 CA THR A 110 7.609 -5.666 13.713 1.00 0.00 C ATOM 1667 C THR A 110 7.917 -4.267 14.125 1.00 0.00 C ATOM 1668 O THR A 110 7.282 -3.698 15.011 1.00 0.00 O ATOM 1669 CB THR A 110 8.603 -6.516 14.446 1.00 0.00 C ATOM 1670 OG1 THR A 110 8.472 -7.894 14.128 1.00 0.00 O ATOM 1671 CG2 THR A 110 8.509 -6.249 15.958 1.00 0.00 C ATOM 0 H THR A 110 8.556 -6.333 12.021 1.00 0.00 H new ATOM 0 HA THR A 110 6.576 -5.909 13.961 1.00 0.00 H new ATOM 0 HB THR A 110 9.603 -6.235 14.115 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.827 -8.058 13.229 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.234 -6.871 16.483 1.00 0.00 H new ATOM 0 HG22 THR A 110 8.721 -5.198 16.156 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.505 -6.489 16.308 1.00 0.00 H new ATOM 1679 N ASN A 111 8.825 -3.593 13.397 1.00 0.00 N ATOM 1680 CA ASN A 111 9.208 -2.269 13.780 1.00 0.00 C ATOM 1681 C ASN A 111 8.441 -1.175 13.119 1.00 0.00 C ATOM 1682 O ASN A 111 8.739 0.013 13.236 1.00 0.00 O ATOM 1683 CB ASN A 111 10.659 -2.021 13.336 1.00 0.00 C ATOM 1684 CG ASN A 111 11.428 -1.047 14.217 1.00 0.00 C ATOM 1685 OD1 ASN A 111 11.387 -1.094 15.445 1.00 0.00 O ATOM 1686 ND2 ASN A 111 12.255 -0.177 13.578 1.00 0.00 N ATOM 0 H ASN A 111 9.285 -3.954 12.561 1.00 0.00 H new ATOM 0 HA ASN A 111 9.034 -2.236 14.856 1.00 0.00 H new ATOM 0 HB2 ASN A 111 11.189 -2.973 13.320 1.00 0.00 H new ATOM 0 HB3 ASN A 111 10.654 -1.641 12.314 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.853 0.449 14.118 1.00 0.00 H new ATOM 0 HD22 ASN A 111 12.278 -0.150 12.559 1.00 0.00 H new ATOM 1693 N LEU A 112 7.425 -1.570 12.333 1.00 0.00 N ATOM 1694 CA LEU A 112 6.652 -0.643 11.565 1.00 0.00 C ATOM 1695 C LEU A 112 5.622 0.179 12.259 1.00 0.00 C ATOM 1696 O LEU A 112 5.491 1.399 12.182 1.00 0.00 O ATOM 1697 CB LEU A 112 5.929 -1.344 10.402 1.00 0.00 C ATOM 1698 CG LEU A 112 5.392 -0.617 9.158 1.00 0.00 C ATOM 1699 CD1 LEU A 112 6.534 -0.111 8.261 1.00 0.00 C ATOM 1700 CD2 LEU A 112 4.412 -1.485 8.350 1.00 0.00 C ATOM 0 H LEU A 112 7.136 -2.542 12.228 1.00 0.00 H new ATOM 0 HA LEU A 112 7.433 0.051 11.255 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.614 -2.109 10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 112 5.077 -1.863 10.842 1.00 0.00 H new ATOM 0 HG LEU A 112 4.837 0.247 9.524 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.116 0.397 7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.157 0.584 8.823 1.00 0.00 H new ATOM 0 HD13 LEU A 112 7.139 -0.956 7.931 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.062 -0.926 7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.918 -2.392 8.018 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.561 -1.753 8.977 1.00 0.00 H new ATOM 1712 N GLY A 113 4.838 -0.498 13.117 1.00 0.00 N ATOM 1713 CA GLY A 113 3.689 0.123 13.702 1.00 0.00 C ATOM 1714 C GLY A 113 2.759 -0.825 14.377 1.00 0.00 C ATOM 1715 O GLY A 113 2.916 -0.903 15.595 1.00 0.00 O ATOM 0 H GLY A 113 4.996 -1.464 13.404 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.021 0.866 14.427 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.144 0.658 12.924 1.00 0.00 H new ATOM 1719 N GLU A 114 1.869 -1.487 13.617 1.00 0.00 N ATOM 1720 CA GLU A 114 1.068 -2.522 14.196 1.00 0.00 C ATOM 1721 C GLU A 114 1.616 -3.887 13.959 1.00 0.00 C ATOM 1722 O GLU A 114 2.107 -4.153 12.863 1.00 0.00 O ATOM 1723 CB GLU A 114 -0.297 -2.592 13.491 1.00 0.00 C ATOM 1724 CG GLU A 114 -1.454 -3.112 14.346 1.00 0.00 C ATOM 1725 CD GLU A 114 -1.880 -2.385 15.614 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -2.404 -1.246 15.491 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -1.475 -2.916 16.682 1.00 0.00 O ATOM 0 H GLU A 114 1.705 -1.313 12.625 1.00 0.00 H new ATOM 0 HA GLU A 114 1.027 -2.274 15.257 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -0.553 -1.595 13.132 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -0.201 -3.231 12.613 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -2.330 -3.166 13.699 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -1.205 -4.134 14.632 1.00 0.00 H new ATOM 1734 N LYS A 115 1.620 -4.786 14.960 1.00 0.00 N ATOM 1735 CA LYS A 115 2.403 -5.976 14.835 1.00 0.00 C ATOM 1736 C LYS A 115 1.574 -7.129 14.385 1.00 0.00 C ATOM 1737 O LYS A 115 0.428 -7.274 14.807 1.00 0.00 O ATOM 1738 CB LYS A 115 3.074 -6.406 16.151 1.00 0.00 C ATOM 1739 CG LYS A 115 4.197 -5.478 16.619 1.00 0.00 C ATOM 1740 CD LYS A 115 4.752 -5.882 17.986 1.00 0.00 C ATOM 1741 CE LYS A 115 5.751 -4.894 18.590 1.00 0.00 C ATOM 1742 NZ LYS A 115 5.150 -3.605 18.997 1.00 0.00 N ATOM 0 H LYS A 115 1.098 -4.695 15.831 1.00 0.00 H new ATOM 0 HA LYS A 115 3.168 -5.723 14.101 1.00 0.00 H new ATOM 0 HB2 LYS A 115 2.315 -6.460 16.931 1.00 0.00 H new ATOM 0 HB3 LYS A 115 3.477 -7.411 16.028 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.003 -5.487 15.885 1.00 0.00 H new ATOM 0 HG3 LYS A 115 3.823 -4.455 16.669 1.00 0.00 H new ATOM 0 HD2 LYS A 115 3.919 -6.004 18.679 1.00 0.00 H new ATOM 0 HD3 LYS A 115 5.235 -6.855 17.893 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.222 -5.354 19.459 1.00 0.00 H new ATOM 0 HE3 LYS A 115 6.541 -4.702 17.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.887 -2.989 19.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 4.725 -3.143 18.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 4.415 -3.775 19.713 1.00 0.00 H new ATOM 1756 N LEU A 116 2.138 -7.967 13.497 1.00 0.00 N ATOM 1757 CA LEU A 116 1.656 -9.273 13.170 1.00 0.00 C ATOM 1758 C LEU A 116 2.286 -10.267 14.083 1.00 0.00 C ATOM 1759 O LEU A 116 3.201 -9.889 14.813 1.00 0.00 O ATOM 1760 CB LEU A 116 2.028 -9.639 11.723 1.00 0.00 C ATOM 1761 CG LEU A 116 1.756 -8.623 10.601 1.00 0.00 C ATOM 1762 CD1 LEU A 116 2.120 -9.161 9.207 1.00 0.00 C ATOM 1763 CD2 LEU A 116 0.257 -8.292 10.514 1.00 0.00 C ATOM 0 H LEU A 116 2.980 -7.718 12.977 1.00 0.00 H new ATOM 0 HA LEU A 116 0.571 -9.282 13.277 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.093 -9.870 11.706 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.499 -10.558 11.470 1.00 0.00 H new ATOM 0 HG LEU A 116 2.367 -7.757 10.855 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.906 -8.400 8.456 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.181 -9.411 9.179 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.531 -10.054 8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.089 -7.572 9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.305 -9.202 10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.077 -7.867 11.460 1.00 0.00 H new ATOM 1775 N THR A 117 1.791 -11.509 14.229 1.00 0.00 N ATOM 1776 CA THR A 117 2.413 -12.728 14.642 1.00 0.00 C ATOM 1777 C THR A 117 3.352 -13.335 13.656 1.00 0.00 C ATOM 1778 O THR A 117 3.134 -13.311 12.446 1.00 0.00 O ATOM 1779 CB THR A 117 1.460 -13.749 15.189 1.00 0.00 C ATOM 1780 OG1 THR A 117 0.334 -13.963 14.350 1.00 0.00 O ATOM 1781 CG2 THR A 117 1.010 -13.194 16.551 1.00 0.00 C ATOM 0 H THR A 117 0.806 -11.675 14.025 1.00 0.00 H new ATOM 0 HA THR A 117 3.037 -12.395 15.471 1.00 0.00 H new ATOM 0 HB THR A 117 1.950 -14.720 15.265 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.251 -14.638 14.754 1.00 0.00 H new ATOM 0 HG21 THR A 117 0.309 -13.889 17.013 1.00 0.00 H new ATOM 0 HG22 THR A 117 1.878 -13.070 17.198 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.524 -12.229 16.408 1.00 0.00 H new ATOM 1789 N ASP A 118 4.372 -14.058 14.152 1.00 0.00 N ATOM 1790 CA ASP A 118 5.320 -14.787 13.368 1.00 0.00 C ATOM 1791 C ASP A 118 4.723 -15.878 12.548 1.00 0.00 C ATOM 1792 O ASP A 118 5.022 -16.036 11.365 1.00 0.00 O ATOM 1793 CB ASP A 118 6.393 -15.289 14.348 1.00 0.00 C ATOM 1794 CG ASP A 118 7.382 -14.170 14.645 1.00 0.00 C ATOM 1795 OD1 ASP A 118 7.076 -13.439 15.624 1.00 0.00 O ATOM 1796 OD2 ASP A 118 8.504 -14.243 14.077 1.00 0.00 O ATOM 0 H ASP A 118 4.544 -14.138 15.154 1.00 0.00 H new ATOM 0 HA ASP A 118 5.755 -14.134 12.612 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.925 -15.628 15.272 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.916 -16.146 13.922 1.00 0.00 H new ATOM 1801 N GLU A 119 3.654 -16.526 13.046 1.00 0.00 N ATOM 1802 CA GLU A 119 2.882 -17.453 12.278 1.00 0.00 C ATOM 1803 C GLU A 119 2.189 -16.889 11.086 1.00 0.00 C ATOM 1804 O GLU A 119 2.181 -17.493 10.014 1.00 0.00 O ATOM 1805 CB GLU A 119 1.712 -18.110 13.030 1.00 0.00 C ATOM 1806 CG GLU A 119 2.255 -19.041 14.116 1.00 0.00 C ATOM 1807 CD GLU A 119 1.983 -18.444 15.490 1.00 0.00 C ATOM 1808 OE1 GLU A 119 2.861 -17.654 15.928 1.00 0.00 O ATOM 1809 OE2 GLU A 119 0.859 -18.574 16.044 1.00 0.00 O ATOM 0 H GLU A 119 3.319 -16.403 14.002 1.00 0.00 H new ATOM 0 HA GLU A 119 3.679 -18.149 12.016 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.079 -17.344 13.477 1.00 0.00 H new ATOM 0 HB3 GLU A 119 1.089 -18.672 12.334 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.785 -20.021 14.036 1.00 0.00 H new ATOM 0 HG3 GLU A 119 3.326 -19.189 13.979 1.00 0.00 H new ATOM 1816 N GLU A 120 1.710 -15.639 11.209 1.00 0.00 N ATOM 1817 CA GLU A 120 1.144 -14.980 10.072 1.00 0.00 C ATOM 1818 C GLU A 120 2.175 -14.444 9.140 1.00 0.00 C ATOM 1819 O GLU A 120 1.957 -14.590 7.938 1.00 0.00 O ATOM 1820 CB GLU A 120 0.278 -13.829 10.610 1.00 0.00 C ATOM 1821 CG GLU A 120 -0.477 -13.087 9.505 1.00 0.00 C ATOM 1822 CD GLU A 120 -1.384 -11.958 9.972 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -1.559 -11.892 11.218 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -1.946 -11.182 9.153 1.00 0.00 O ATOM 0 H GLU A 120 1.713 -15.095 12.072 1.00 0.00 H new ATOM 0 HA GLU A 120 0.562 -15.699 9.496 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.438 -14.225 11.330 1.00 0.00 H new ATOM 0 HB3 GLU A 120 0.912 -13.124 11.147 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.251 -12.678 8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.080 -13.809 8.954 1.00 0.00 H new ATOM 1831 N VAL A 121 3.249 -13.834 9.673 1.00 0.00 N ATOM 1832 CA VAL A 121 4.436 -13.582 8.916 1.00 0.00 C ATOM 1833 C VAL A 121 5.019 -14.705 8.129 1.00 0.00 C ATOM 1834 O VAL A 121 5.100 -14.602 6.906 1.00 0.00 O ATOM 1835 CB VAL A 121 5.476 -12.917 9.768 1.00 0.00 C ATOM 1836 CG1 VAL A 121 6.750 -12.594 8.969 1.00 0.00 C ATOM 1837 CG2 VAL A 121 4.806 -11.577 10.116 1.00 0.00 C ATOM 0 H VAL A 121 3.294 -13.512 10.640 1.00 0.00 H new ATOM 0 HA VAL A 121 4.085 -12.912 8.132 1.00 0.00 H new ATOM 0 HB VAL A 121 5.770 -13.542 10.611 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.478 -12.113 9.623 1.00 0.00 H new ATOM 0 HG12 VAL A 121 7.173 -13.516 8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.503 -11.923 8.146 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.474 -10.989 10.745 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.594 -11.027 9.199 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.875 -11.764 10.651 1.00 0.00 H new ATOM 1847 N ASP A 122 5.402 -15.845 8.730 1.00 0.00 N ATOM 1848 CA ASP A 122 5.738 -17.056 8.047 1.00 0.00 C ATOM 1849 C ASP A 122 4.766 -17.513 7.014 1.00 0.00 C ATOM 1850 O ASP A 122 5.186 -17.862 5.912 1.00 0.00 O ATOM 1851 CB ASP A 122 6.041 -18.185 9.046 1.00 0.00 C ATOM 1852 CG ASP A 122 7.454 -17.842 9.497 1.00 0.00 C ATOM 1853 OD1 ASP A 122 8.460 -17.860 8.739 1.00 0.00 O ATOM 1854 OD2 ASP A 122 7.634 -17.611 10.722 1.00 0.00 O ATOM 0 H ASP A 122 5.481 -15.926 9.744 1.00 0.00 H new ATOM 0 HA ASP A 122 6.636 -16.803 7.483 1.00 0.00 H new ATOM 0 HB2 ASP A 122 5.338 -18.192 9.879 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.990 -19.168 8.578 1.00 0.00 H new ATOM 1859 N GLU A 123 3.455 -17.431 7.306 1.00 0.00 N ATOM 1860 CA GLU A 123 2.459 -17.748 6.330 1.00 0.00 C ATOM 1861 C GLU A 123 2.370 -16.800 5.184 1.00 0.00 C ATOM 1862 O GLU A 123 2.259 -17.227 4.036 1.00 0.00 O ATOM 1863 CB GLU A 123 1.144 -18.079 7.057 1.00 0.00 C ATOM 1864 CG GLU A 123 -0.131 -18.318 6.247 1.00 0.00 C ATOM 1865 CD GLU A 123 -1.292 -18.791 7.111 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -0.971 -19.407 8.161 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -2.482 -18.749 6.699 1.00 0.00 O ATOM 0 H GLU A 123 3.086 -17.147 8.213 1.00 0.00 H new ATOM 0 HA GLU A 123 2.763 -18.645 5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 123 1.320 -18.971 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 123 0.941 -17.263 7.750 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.413 -17.396 5.739 1.00 0.00 H new ATOM 0 HG3 GLU A 123 0.068 -19.060 5.474 1.00 0.00 H new ATOM 1874 N MET A 124 2.595 -15.489 5.388 1.00 0.00 N ATOM 1875 CA MET A 124 2.668 -14.574 4.292 1.00 0.00 C ATOM 1876 C MET A 124 3.907 -14.616 3.466 1.00 0.00 C ATOM 1877 O MET A 124 3.750 -14.608 2.246 1.00 0.00 O ATOM 1878 CB MET A 124 2.578 -13.167 4.908 1.00 0.00 C ATOM 1879 CG MET A 124 2.770 -12.006 3.930 1.00 0.00 C ATOM 1880 SD MET A 124 2.219 -10.415 4.615 1.00 0.00 S ATOM 1881 CE MET A 124 3.718 -10.228 5.623 1.00 0.00 C ATOM 0 H MET A 124 2.726 -15.065 6.306 1.00 0.00 H new ATOM 0 HA MET A 124 1.864 -14.848 3.610 1.00 0.00 H new ATOM 0 HB2 MET A 124 1.604 -13.060 5.385 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.329 -13.085 5.694 1.00 0.00 H new ATOM 0 HG2 MET A 124 3.823 -11.935 3.659 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.218 -12.213 3.013 1.00 0.00 H new ATOM 0 HE1 MET A 124 3.479 -10.418 6.669 1.00 0.00 H new ATOM 0 HE2 MET A 124 4.473 -10.940 5.288 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.103 -9.214 5.517 1.00 0.00 H new ATOM 1891 N ILE A 125 5.073 -14.717 4.127 1.00 0.00 N ATOM 1892 CA ILE A 125 6.261 -15.144 3.455 1.00 0.00 C ATOM 1893 C ILE A 125 6.125 -16.337 2.573 1.00 0.00 C ATOM 1894 O ILE A 125 6.403 -16.353 1.375 1.00 0.00 O ATOM 1895 CB ILE A 125 7.448 -15.295 4.360 1.00 0.00 C ATOM 1896 CG1 ILE A 125 7.901 -13.963 4.982 1.00 0.00 C ATOM 1897 CG2 ILE A 125 8.714 -15.855 3.689 1.00 0.00 C ATOM 1898 CD1 ILE A 125 8.728 -13.970 6.267 1.00 0.00 C ATOM 0 H ILE A 125 5.194 -14.505 5.117 1.00 0.00 H new ATOM 0 HA ILE A 125 6.443 -14.304 2.785 1.00 0.00 H new ATOM 0 HB ILE A 125 7.067 -15.998 5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 125 8.478 -13.430 4.226 1.00 0.00 H new ATOM 0 HG13 ILE A 125 7.005 -13.372 5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 125 9.515 -15.926 4.425 1.00 0.00 H new ATOM 0 HG22 ILE A 125 8.504 -16.845 3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 125 9.022 -15.191 2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 125 8.956 -12.945 6.558 1.00 0.00 H new ATOM 0 HD12 ILE A 125 8.162 -14.456 7.062 1.00 0.00 H new ATOM 0 HD13 ILE A 125 9.657 -14.515 6.099 1.00 0.00 H new ATOM 1910 N ARG A 126 5.762 -17.498 3.148 1.00 0.00 N ATOM 1911 CA ARG A 126 5.509 -18.760 2.526 1.00 0.00 C ATOM 1912 C ARG A 126 4.558 -18.630 1.387 1.00 0.00 C ATOM 1913 O ARG A 126 4.957 -19.018 0.290 1.00 0.00 O ATOM 1914 CB ARG A 126 5.070 -19.823 3.548 1.00 0.00 C ATOM 1915 CG ARG A 126 4.773 -21.228 3.021 1.00 0.00 C ATOM 1916 CD ARG A 126 3.993 -22.120 3.990 1.00 0.00 C ATOM 1917 NE ARG A 126 2.534 -21.822 3.939 1.00 0.00 N ATOM 1918 CZ ARG A 126 1.701 -21.903 5.017 1.00 0.00 C ATOM 1919 NH1 ARG A 126 2.104 -22.045 6.313 1.00 0.00 N ATOM 1920 NH2 ARG A 126 0.370 -21.973 4.723 1.00 0.00 N ATOM 0 H ARG A 126 5.633 -17.554 4.158 1.00 0.00 H new ATOM 0 HA ARG A 126 6.450 -19.112 2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 126 5.851 -19.905 4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 126 4.176 -19.456 4.052 1.00 0.00 H new ATOM 0 HG2 ARG A 126 4.208 -21.142 2.093 1.00 0.00 H new ATOM 0 HG3 ARG A 126 5.716 -21.717 2.776 1.00 0.00 H new ATOM 0 HD2 ARG A 126 4.162 -23.168 3.741 1.00 0.00 H new ATOM 0 HD3 ARG A 126 4.362 -21.970 5.004 1.00 0.00 H new ATOM 0 HE ARG A 126 2.134 -21.540 3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 126 3.098 -22.099 6.535 1.00 0.00 H new ATOM 0 HH12 ARG A 126 1.411 -22.097 7.060 1.00 0.00 H new ATOM 0 HH21 ARG A 126 0.061 -21.963 3.751 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -0.316 -22.036 5.475 1.00 0.00 H new ATOM 1934 N GLU A 127 3.303 -18.165 1.525 1.00 0.00 N ATOM 1935 CA GLU A 127 2.331 -18.150 0.477 1.00 0.00 C ATOM 1936 C GLU A 127 2.477 -17.140 -0.609 1.00 0.00 C ATOM 1937 O GLU A 127 1.986 -17.359 -1.716 1.00 0.00 O ATOM 1938 CB GLU A 127 0.954 -17.889 1.111 1.00 0.00 C ATOM 1939 CG GLU A 127 0.525 -19.036 2.029 1.00 0.00 C ATOM 1940 CD GLU A 127 0.472 -20.352 1.266 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -0.301 -20.481 0.280 1.00 0.00 O ATOM 1942 OE2 GLU A 127 1.083 -21.334 1.765 1.00 0.00 O ATOM 0 H GLU A 127 2.952 -17.784 2.403 1.00 0.00 H new ATOM 0 HA GLU A 127 2.467 -19.118 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 127 0.986 -16.960 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.211 -17.755 0.325 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.224 -19.122 2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -0.454 -18.819 2.456 1.00 0.00 H new ATOM 1949 N ALA A 128 3.085 -15.983 -0.294 1.00 0.00 N ATOM 1950 CA ALA A 128 2.823 -14.862 -1.143 1.00 0.00 C ATOM 1951 C ALA A 128 4.061 -14.400 -1.832 1.00 0.00 C ATOM 1952 O ALA A 128 4.332 -13.221 -2.051 1.00 0.00 O ATOM 1953 CB ALA A 128 2.311 -13.686 -0.295 1.00 0.00 C ATOM 0 H ALA A 128 3.716 -15.825 0.492 1.00 0.00 H new ATOM 0 HA ALA A 128 2.086 -15.177 -1.882 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.111 -12.831 -0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.393 -13.978 0.215 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.065 -13.414 0.443 1.00 0.00 H new ATOM 1959 N ASP A 129 4.916 -15.390 -2.146 1.00 0.00 N ATOM 1960 CA ASP A 129 6.135 -15.185 -2.864 1.00 0.00 C ATOM 1961 C ASP A 129 5.786 -15.603 -4.251 1.00 0.00 C ATOM 1962 O ASP A 129 5.271 -16.689 -4.509 1.00 0.00 O ATOM 1963 CB ASP A 129 7.340 -16.008 -2.376 1.00 0.00 C ATOM 1964 CG ASP A 129 8.548 -15.252 -2.909 1.00 0.00 C ATOM 1965 OD1 ASP A 129 9.003 -15.525 -4.052 1.00 0.00 O ATOM 1966 OD2 ASP A 129 9.046 -14.304 -2.245 1.00 0.00 O ATOM 0 H ASP A 129 4.753 -16.364 -1.892 1.00 0.00 H new ATOM 0 HA ASP A 129 6.462 -14.152 -2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 129 7.361 -16.077 -1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 129 7.307 -17.028 -2.759 1.00 0.00 H new ATOM 1971 N ILE A 130 6.003 -14.764 -5.280 1.00 0.00 N ATOM 1972 CA ILE A 130 5.676 -14.971 -6.656 1.00 0.00 C ATOM 1973 C ILE A 130 6.645 -15.929 -7.260 1.00 0.00 C ATOM 1974 O ILE A 130 6.280 -16.782 -8.067 1.00 0.00 O ATOM 1975 CB ILE A 130 5.739 -13.640 -7.346 1.00 0.00 C ATOM 1976 CG1 ILE A 130 4.621 -12.758 -6.765 1.00 0.00 C ATOM 1977 CG2 ILE A 130 5.627 -13.665 -8.880 1.00 0.00 C ATOM 1978 CD1 ILE A 130 3.195 -13.247 -7.013 1.00 0.00 C ATOM 0 H ILE A 130 6.448 -13.858 -5.132 1.00 0.00 H new ATOM 0 HA ILE A 130 4.677 -15.393 -6.762 1.00 0.00 H new ATOM 0 HB ILE A 130 6.738 -13.248 -7.156 1.00 0.00 H new ATOM 0 HG12 ILE A 130 4.774 -12.671 -5.689 1.00 0.00 H new ATOM 0 HG13 ILE A 130 4.720 -11.756 -7.183 1.00 0.00 H new ATOM 0 HG21 ILE A 130 5.685 -12.647 -9.266 1.00 0.00 H new ATOM 0 HG22 ILE A 130 6.442 -14.258 -9.295 1.00 0.00 H new ATOM 0 HG23 ILE A 130 4.674 -14.108 -9.168 1.00 0.00 H new ATOM 0 HD11 ILE A 130 2.488 -12.551 -6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 130 3.012 -13.305 -8.086 1.00 0.00 H new ATOM 0 HD13 ILE A 130 3.067 -14.234 -6.569 1.00 0.00 H new ATOM 1990 N ASP A 131 7.938 -15.964 -6.891 1.00 0.00 N ATOM 1991 CA ASP A 131 8.864 -16.982 -7.278 1.00 0.00 C ATOM 1992 C ASP A 131 8.773 -18.158 -6.367 1.00 0.00 C ATOM 1993 O ASP A 131 8.481 -19.273 -6.796 1.00 0.00 O ATOM 1994 CB ASP A 131 10.309 -16.463 -7.362 1.00 0.00 C ATOM 1995 CG ASP A 131 10.352 -14.953 -7.547 1.00 0.00 C ATOM 1996 OD1 ASP A 131 9.935 -14.527 -8.657 1.00 0.00 O ATOM 1997 OD2 ASP A 131 10.765 -14.128 -6.688 1.00 0.00 O ATOM 0 H ASP A 131 8.357 -15.250 -6.295 1.00 0.00 H new ATOM 0 HA ASP A 131 8.584 -17.298 -8.283 1.00 0.00 H new ATOM 0 HB2 ASP A 131 10.847 -16.734 -6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 131 10.822 -16.947 -8.193 1.00 0.00 H new ATOM 2002 N GLY A 132 9.067 -18.093 -5.056 1.00 0.00 N ATOM 2003 CA GLY A 132 9.418 -19.111 -4.114 1.00 0.00 C ATOM 2004 C GLY A 132 10.897 -19.107 -3.931 1.00 0.00 C ATOM 2005 O GLY A 132 11.406 -20.046 -3.322 1.00 0.00 O ATOM 0 H GLY A 132 9.055 -17.184 -4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 132 8.919 -18.932 -3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 132 9.084 -20.086 -4.470 1.00 0.00 H new ATOM 2009 N ASP A 133 11.616 -17.996 -4.169 1.00 0.00 N ATOM 2010 CA ASP A 133 13.000 -17.886 -3.826 1.00 0.00 C ATOM 2011 C ASP A 133 13.182 -17.699 -2.359 1.00 0.00 C ATOM 2012 O ASP A 133 14.112 -18.233 -1.757 1.00 0.00 O ATOM 2013 CB ASP A 133 13.696 -16.776 -4.631 1.00 0.00 C ATOM 2014 CG ASP A 133 13.183 -15.376 -4.326 1.00 0.00 C ATOM 2015 OD1 ASP A 133 11.980 -15.195 -3.996 1.00 0.00 O ATOM 2016 OD2 ASP A 133 13.967 -14.404 -4.494 1.00 0.00 O ATOM 0 H ASP A 133 11.230 -17.160 -4.607 1.00 0.00 H new ATOM 0 HA ASP A 133 13.480 -18.827 -4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 133 14.767 -16.812 -4.429 1.00 0.00 H new ATOM 0 HB3 ASP A 133 13.565 -16.976 -5.694 1.00 0.00 H new ATOM 2021 N GLY A 134 12.287 -16.963 -1.677 1.00 0.00 N ATOM 2022 CA GLY A 134 12.585 -16.437 -0.381 1.00 0.00 C ATOM 2023 C GLY A 134 12.662 -14.973 -0.113 1.00 0.00 C ATOM 2024 O GLY A 134 12.195 -14.433 0.889 1.00 0.00 O ATOM 0 H GLY A 134 11.356 -16.732 -2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 134 11.836 -16.840 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 134 13.545 -16.860 -0.085 1.00 0.00 H new ATOM 2028 N GLN A 135 13.353 -14.236 -1.001 1.00 0.00 N ATOM 2029 CA GLN A 135 13.442 -12.820 -0.819 1.00 0.00 C ATOM 2030 C GLN A 135 12.246 -12.175 -1.430 1.00 0.00 C ATOM 2031 O GLN A 135 11.576 -12.808 -2.243 1.00 0.00 O ATOM 2032 CB GLN A 135 14.694 -12.325 -1.561 1.00 0.00 C ATOM 2033 CG GLN A 135 15.970 -12.978 -1.026 1.00 0.00 C ATOM 2034 CD GLN A 135 17.201 -12.162 -1.392 1.00 0.00 C ATOM 2035 OE1 GLN A 135 18.009 -11.752 -0.560 1.00 0.00 O ATOM 2036 NE2 GLN A 135 17.468 -12.136 -2.725 1.00 0.00 N ATOM 0 H GLN A 135 13.836 -14.605 -1.820 1.00 0.00 H new ATOM 0 HA GLN A 135 13.495 -12.576 0.242 1.00 0.00 H new ATOM 0 HB2 GLN A 135 14.594 -12.541 -2.625 1.00 0.00 H new ATOM 0 HB3 GLN A 135 14.771 -11.242 -1.461 1.00 0.00 H new ATOM 0 HG2 GLN A 135 15.905 -13.076 0.058 1.00 0.00 H new ATOM 0 HG3 GLN A 135 16.064 -13.985 -1.432 1.00 0.00 H new ATOM 0 HE21 GLN A 135 16.777 -12.483 -3.390 1.00 0.00 H new ATOM 0 HE22 GLN A 135 18.359 -11.769 -3.060 1.00 0.00 H new ATOM 2045 N VAL A 136 11.972 -10.930 -1.000 1.00 0.00 N ATOM 2046 CA VAL A 136 10.891 -10.140 -1.503 1.00 0.00 C ATOM 2047 C VAL A 136 11.460 -9.075 -2.376 1.00 0.00 C ATOM 2048 O VAL A 136 12.407 -8.363 -2.044 1.00 0.00 O ATOM 2049 CB VAL A 136 10.011 -9.752 -0.353 1.00 0.00 C ATOM 2050 CG1 VAL A 136 9.447 -8.327 -0.484 1.00 0.00 C ATOM 2051 CG2 VAL A 136 8.909 -10.815 -0.198 1.00 0.00 C ATOM 0 H VAL A 136 12.520 -10.459 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 136 10.205 -10.665 -2.167 1.00 0.00 H new ATOM 0 HB VAL A 136 10.611 -9.724 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 136 8.818 -8.104 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 136 10.269 -7.613 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 136 8.853 -8.253 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 136 8.260 -10.547 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 136 8.321 -10.866 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 136 9.365 -11.786 -0.005 1.00 0.00 H new ATOM 2061 N ASN A 137 10.955 -8.909 -3.612 1.00 0.00 N ATOM 2062 CA ASN A 137 11.159 -7.766 -4.446 1.00 0.00 C ATOM 2063 C ASN A 137 10.106 -6.739 -4.203 1.00 0.00 C ATOM 2064 O ASN A 137 9.258 -6.750 -3.313 1.00 0.00 O ATOM 2065 CB ASN A 137 11.389 -8.082 -5.934 1.00 0.00 C ATOM 2066 CG ASN A 137 10.206 -8.711 -6.656 1.00 0.00 C ATOM 2067 OD1 ASN A 137 9.076 -8.228 -6.608 1.00 0.00 O ATOM 2068 ND2 ASN A 137 10.419 -9.943 -7.191 1.00 0.00 N ATOM 0 H ASN A 137 10.369 -9.617 -4.055 1.00 0.00 H new ATOM 0 HA ASN A 137 12.114 -7.335 -4.145 1.00 0.00 H new ATOM 0 HB2 ASN A 137 11.658 -7.159 -6.447 1.00 0.00 H new ATOM 0 HB3 ASN A 137 12.244 -8.753 -6.018 1.00 0.00 H new ATOM 0 HD21 ASN A 137 9.635 -10.481 -7.560 1.00 0.00 H new ATOM 0 HD22 ASN A 137 11.363 -10.329 -7.223 1.00 0.00 H new ATOM 2075 N TYR A 138 10.282 -5.620 -4.929 1.00 0.00 N ATOM 2076 CA TYR A 138 9.419 -4.496 -4.742 1.00 0.00 C ATOM 2077 C TYR A 138 8.002 -4.814 -5.076 1.00 0.00 C ATOM 2078 O TYR A 138 7.156 -4.468 -4.253 1.00 0.00 O ATOM 2079 CB TYR A 138 9.954 -3.310 -5.563 1.00 0.00 C ATOM 2080 CG TYR A 138 9.227 -2.038 -5.290 1.00 0.00 C ATOM 2081 CD1 TYR A 138 8.919 -1.700 -3.994 1.00 0.00 C ATOM 2082 CD2 TYR A 138 8.585 -1.480 -6.371 1.00 0.00 C ATOM 2083 CE1 TYR A 138 8.030 -0.672 -3.785 1.00 0.00 C ATOM 2084 CE2 TYR A 138 7.694 -0.455 -6.155 1.00 0.00 C ATOM 2085 CZ TYR A 138 7.448 -0.049 -4.864 1.00 0.00 C ATOM 2086 OH TYR A 138 6.470 0.907 -4.518 1.00 0.00 O ATOM 0 H TYR A 138 11.009 -5.494 -5.634 1.00 0.00 H new ATOM 0 HA TYR A 138 9.418 -4.224 -3.686 1.00 0.00 H new ATOM 0 HB2 TYR A 138 11.013 -3.171 -5.343 1.00 0.00 H new ATOM 0 HB3 TYR A 138 9.877 -3.546 -6.624 1.00 0.00 H new ATOM 0 HD1 TYR A 138 9.363 -2.227 -3.163 1.00 0.00 H new ATOM 0 HD2 TYR A 138 8.777 -1.840 -7.371 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.790 -0.356 -2.780 1.00 0.00 H new ATOM 0 HE2 TYR A 138 7.196 0.023 -6.985 1.00 0.00 H new ATOM 0 HH TYR A 138 6.102 1.308 -5.333 1.00 0.00 H new ATOM 2096 N GLU A 139 7.671 -5.518 -6.173 1.00 0.00 N ATOM 2097 CA GLU A 139 6.306 -5.851 -6.441 1.00 0.00 C ATOM 2098 C GLU A 139 5.689 -6.717 -5.398 1.00 0.00 C ATOM 2099 O GLU A 139 4.493 -6.673 -5.114 1.00 0.00 O ATOM 2100 CB GLU A 139 6.034 -6.423 -7.843 1.00 0.00 C ATOM 2101 CG GLU A 139 6.127 -5.397 -8.974 1.00 0.00 C ATOM 2102 CD GLU A 139 6.158 -6.034 -10.356 1.00 0.00 C ATOM 2103 OE1 GLU A 139 7.284 -6.363 -10.815 1.00 0.00 O ATOM 2104 OE2 GLU A 139 5.072 -6.175 -10.980 1.00 0.00 O ATOM 0 H GLU A 139 8.339 -5.853 -6.867 1.00 0.00 H new ATOM 0 HA GLU A 139 5.815 -4.878 -6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 139 6.745 -7.226 -8.038 1.00 0.00 H new ATOM 0 HB3 GLU A 139 5.039 -6.868 -7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 139 5.276 -4.719 -8.912 1.00 0.00 H new ATOM 0 HG3 GLU A 139 7.025 -4.795 -8.838 1.00 0.00 H new ATOM 2111 N GLU A 140 6.521 -7.527 -4.719 1.00 0.00 N ATOM 2112 CA GLU A 140 6.031 -8.313 -3.629 1.00 0.00 C ATOM 2113 C GLU A 140 5.836 -7.528 -2.378 1.00 0.00 C ATOM 2114 O GLU A 140 4.804 -7.716 -1.735 1.00 0.00 O ATOM 2115 CB GLU A 140 6.879 -9.588 -3.487 1.00 0.00 C ATOM 2116 CG GLU A 140 7.079 -10.417 -4.758 1.00 0.00 C ATOM 2117 CD GLU A 140 8.164 -11.473 -4.606 1.00 0.00 C ATOM 2118 OE1 GLU A 140 9.306 -11.200 -4.150 1.00 0.00 O ATOM 2119 OE2 GLU A 140 8.066 -12.636 -5.080 1.00 0.00 O ATOM 0 H GLU A 140 7.515 -7.637 -4.919 1.00 0.00 H new ATOM 0 HA GLU A 140 5.017 -8.642 -3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 140 7.860 -9.305 -3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 140 6.415 -10.225 -2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 140 6.139 -10.903 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 140 7.337 -9.753 -5.583 1.00 0.00 H new ATOM 2126 N PHE A 141 6.729 -6.580 -2.043 1.00 0.00 N ATOM 2127 CA PHE A 141 6.607 -5.689 -0.931 1.00 0.00 C ATOM 2128 C PHE A 141 5.483 -4.711 -0.954 1.00 0.00 C ATOM 2129 O PHE A 141 4.805 -4.519 0.055 1.00 0.00 O ATOM 2130 CB PHE A 141 7.980 -4.997 -0.900 1.00 0.00 C ATOM 2131 CG PHE A 141 8.124 -4.245 0.379 1.00 0.00 C ATOM 2132 CD1 PHE A 141 8.126 -4.923 1.575 1.00 0.00 C ATOM 2133 CD2 PHE A 141 8.260 -2.878 0.436 1.00 0.00 C ATOM 2134 CE1 PHE A 141 8.270 -4.300 2.792 1.00 0.00 C ATOM 2135 CE2 PHE A 141 8.419 -2.222 1.634 1.00 0.00 C ATOM 2136 CZ PHE A 141 8.479 -2.941 2.804 1.00 0.00 C ATOM 0 H PHE A 141 7.584 -6.427 -2.578 1.00 0.00 H new ATOM 0 HA PHE A 141 6.347 -6.250 -0.033 1.00 0.00 H new ATOM 0 HB2 PHE A 141 8.775 -5.737 -0.992 1.00 0.00 H new ATOM 0 HB3 PHE A 141 8.077 -4.318 -1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 141 8.009 -5.996 1.558 1.00 0.00 H new ATOM 0 HD2 PHE A 141 8.242 -2.307 -0.480 1.00 0.00 H new ATOM 0 HE1 PHE A 141 8.220 -4.862 3.713 1.00 0.00 H new ATOM 0 HE2 PHE A 141 8.497 -1.145 1.656 1.00 0.00 H new ATOM 0 HZ PHE A 141 8.691 -2.437 3.735 1.00 0.00 H new ATOM 2146 N VAL A 142 5.184 -4.159 -2.143 1.00 0.00 N ATOM 2147 CA VAL A 142 3.950 -3.547 -2.525 1.00 0.00 C ATOM 2148 C VAL A 142 2.732 -4.259 -2.045 1.00 0.00 C ATOM 2149 O VAL A 142 1.986 -3.719 -1.229 1.00 0.00 O ATOM 2150 CB VAL A 142 3.860 -3.333 -4.007 1.00 0.00 C ATOM 2151 CG1 VAL A 142 2.453 -2.864 -4.413 1.00 0.00 C ATOM 2152 CG2 VAL A 142 4.856 -2.297 -4.555 1.00 0.00 C ATOM 0 H VAL A 142 5.866 -4.140 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 142 3.968 -2.581 -2.020 1.00 0.00 H new ATOM 0 HB VAL A 142 4.101 -4.306 -4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 142 2.416 -2.717 -5.492 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.721 -3.618 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.224 -1.924 -3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 142 4.726 -2.202 -5.633 1.00 0.00 H new ATOM 0 HG22 VAL A 142 4.675 -1.332 -4.081 1.00 0.00 H new ATOM 0 HG23 VAL A 142 5.874 -2.622 -4.340 1.00 0.00 H new ATOM 2162 N GLN A 143 2.460 -5.512 -2.451 1.00 0.00 N ATOM 2163 CA GLN A 143 1.377 -6.334 -2.008 1.00 0.00 C ATOM 2164 C GLN A 143 1.283 -6.449 -0.525 1.00 0.00 C ATOM 2165 O GLN A 143 0.188 -6.375 0.029 1.00 0.00 O ATOM 2166 CB GLN A 143 1.466 -7.754 -2.593 1.00 0.00 C ATOM 2167 CG GLN A 143 0.454 -8.794 -2.107 1.00 0.00 C ATOM 2168 CD GLN A 143 0.366 -9.955 -3.088 1.00 0.00 C ATOM 2169 OE1 GLN A 143 1.257 -10.791 -3.226 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -0.900 -10.103 -3.564 1.00 0.00 N ATOM 0 H GLN A 143 3.043 -5.985 -3.142 1.00 0.00 H new ATOM 0 HA GLN A 143 0.482 -5.828 -2.371 1.00 0.00 H new ATOM 0 HB2 GLN A 143 1.371 -7.676 -3.676 1.00 0.00 H new ATOM 0 HB3 GLN A 143 2.465 -8.138 -2.387 1.00 0.00 H new ATOM 0 HG2 GLN A 143 0.747 -9.163 -1.124 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -0.526 -8.331 -1.995 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -1.591 -9.368 -3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -1.158 -10.949 -4.072 1.00 0.00 H new ATOM 2179 N MET A 144 2.419 -6.667 0.161 1.00 0.00 N ATOM 2180 CA MET A 144 2.447 -6.957 1.561 1.00 0.00 C ATOM 2181 C MET A 144 2.134 -5.779 2.418 1.00 0.00 C ATOM 2182 O MET A 144 1.483 -5.967 3.445 1.00 0.00 O ATOM 2183 CB MET A 144 3.838 -7.480 1.960 1.00 0.00 C ATOM 2184 CG MET A 144 4.144 -8.819 1.287 1.00 0.00 C ATOM 2185 SD MET A 144 5.351 -9.921 2.083 1.00 0.00 S ATOM 2186 CE MET A 144 5.276 -11.335 0.946 1.00 0.00 C ATOM 0 H MET A 144 3.343 -6.641 -0.270 1.00 0.00 H new ATOM 0 HA MET A 144 1.673 -7.707 1.727 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.597 -6.749 1.681 1.00 0.00 H new ATOM 0 HB3 MET A 144 3.888 -7.595 3.043 1.00 0.00 H new ATOM 0 HG2 MET A 144 3.206 -9.366 1.191 1.00 0.00 H new ATOM 0 HG3 MET A 144 4.497 -8.612 0.277 1.00 0.00 H new ATOM 0 HE1 MET A 144 5.509 -12.251 1.489 1.00 0.00 H new ATOM 0 HE2 MET A 144 4.274 -11.409 0.522 1.00 0.00 H new ATOM 0 HE3 MET A 144 6.000 -11.195 0.143 1.00 0.00 H new ATOM 2196 N MET A 145 2.625 -4.578 2.063 1.00 0.00 N ATOM 2197 CA MET A 145 2.223 -3.329 2.632 1.00 0.00 C ATOM 2198 C MET A 145 0.825 -2.990 2.246 1.00 0.00 C ATOM 2199 O MET A 145 0.035 -2.519 3.062 1.00 0.00 O ATOM 2200 CB MET A 145 3.215 -2.222 2.237 1.00 0.00 C ATOM 2201 CG MET A 145 4.566 -2.371 2.940 1.00 0.00 C ATOM 2202 SD MET A 145 4.710 -2.106 4.733 1.00 0.00 S ATOM 2203 CE MET A 145 4.521 -0.305 4.590 1.00 0.00 C ATOM 0 H MET A 145 3.339 -4.473 1.342 1.00 0.00 H new ATOM 0 HA MET A 145 2.238 -3.417 3.718 1.00 0.00 H new ATOM 0 HB2 MET A 145 3.366 -2.242 1.158 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.787 -1.250 2.481 1.00 0.00 H new ATOM 0 HG2 MET A 145 4.926 -3.379 2.734 1.00 0.00 H new ATOM 0 HG3 MET A 145 5.258 -1.681 2.457 1.00 0.00 H new ATOM 0 HE1 MET A 145 5.376 0.188 5.052 1.00 0.00 H new ATOM 0 HE2 MET A 145 4.466 -0.027 3.537 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.607 0.006 5.095 1.00 0.00 H new