USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 559 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 44 CYS SG : rot 180:sc= -2.14! USER MOD Set 1.2: A 67 SER OG : rot -37:sc= -0.0404 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -3.62! C(o=-3.6!,f=-5.5!) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 50 CYS SG : rot 100:sc= -4.78! USER MOD Single : A 51 MET CE :methyl -169:sc= 0 (180deg=-0.154) USER MOD Single : A 53 THR OG1 : rot 99:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot -39:sc= 0.203 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 158:sc= -2.57 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.15) USER MOD Single : A 69 GLN : amide:sc= -2.4 K(o=-2.4,f=-4!) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.464 F(o=-1.2,f=-0.46) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.13 F(o=-2.3,f=-0.13) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 87 MET CE :methyl -158:sc= 0 (180deg=-0.785) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N ARG A 20 -12.152 -3.084 -16.883 1.00 0.00 N ATOM 68 CA ARG A 20 -12.501 -2.830 -15.456 1.00 0.00 C ATOM 69 C ARG A 20 -11.846 -1.529 -14.944 1.00 0.00 C ATOM 70 O ARG A 20 -10.660 -1.496 -14.689 1.00 0.00 O ATOM 71 CB ARG A 20 -11.953 -4.004 -14.628 1.00 0.00 C ATOM 72 CG ARG A 20 -10.650 -4.498 -15.260 1.00 0.00 C ATOM 73 CD ARG A 20 -10.030 -5.569 -14.362 1.00 0.00 C ATOM 74 NE ARG A 20 -10.585 -6.898 -14.740 1.00 0.00 N ATOM 75 CZ ARG A 20 -9.772 -7.898 -14.935 1.00 0.00 C ATOM 76 NH1 ARG A 20 -9.268 -8.078 -16.125 1.00 0.00 N ATOM 77 NH2 ARG A 20 -9.488 -8.685 -13.933 1.00 0.00 N ATOM 0 HA ARG A 20 -13.583 -2.733 -15.363 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.776 -3.689 -13.600 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.684 -4.812 -14.592 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.845 -4.906 -16.252 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.956 -3.667 -15.388 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.945 -5.569 -14.470 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.246 -5.354 -13.315 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.592 -7.025 -14.845 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.512 -7.442 -16.884 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.630 -8.855 -16.296 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.900 -8.512 -13.016 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.854 -9.473 -14.067 1.00 0.00 H new ATOM 91 N PRO A 21 -12.644 -0.469 -14.804 1.00 0.00 N ATOM 92 CA PRO A 21 -12.129 0.818 -14.328 1.00 0.00 C ATOM 93 C PRO A 21 -11.713 0.753 -12.857 1.00 0.00 C ATOM 94 O PRO A 21 -10.692 1.289 -12.474 1.00 0.00 O ATOM 95 CB PRO A 21 -13.311 1.800 -14.482 1.00 0.00 C ATOM 96 CG PRO A 21 -14.543 0.973 -14.967 1.00 0.00 C ATOM 97 CD PRO A 21 -14.083 -0.487 -15.116 1.00 0.00 C ATOM 0 HA PRO A 21 -11.244 1.116 -14.890 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.528 2.292 -13.534 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.068 2.584 -15.199 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.362 1.047 -14.251 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -14.915 1.358 -15.917 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -14.626 -1.143 -14.435 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.263 -0.856 -16.126 1.00 0.00 H new ATOM 105 N GLU A 22 -12.514 0.097 -12.062 1.00 0.00 N ATOM 106 CA GLU A 22 -12.186 -0.013 -10.618 1.00 0.00 C ATOM 107 C GLU A 22 -10.719 -0.368 -10.419 1.00 0.00 C ATOM 108 O GLU A 22 -10.009 0.285 -9.680 1.00 0.00 O ATOM 109 CB GLU A 22 -13.048 -1.138 -10.020 1.00 0.00 C ATOM 110 CG GLU A 22 -13.790 -0.603 -8.800 1.00 0.00 C ATOM 111 CD GLU A 22 -14.829 -1.633 -8.348 1.00 0.00 C ATOM 112 OE1 GLU A 22 -14.412 -2.758 -8.124 1.00 0.00 O ATOM 113 OE2 GLU A 22 -15.979 -1.238 -8.252 1.00 0.00 O ATOM 0 H GLU A 22 -13.377 -0.364 -12.351 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.382 0.943 -10.132 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.758 -1.502 -10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.420 -1.983 -9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.087 -0.400 -7.992 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.278 0.341 -9.042 1.00 0.00 H new ATOM 120 N GLU A 23 -10.300 -1.399 -11.084 1.00 0.00 N ATOM 121 CA GLU A 23 -8.884 -1.834 -10.963 1.00 0.00 C ATOM 122 C GLU A 23 -7.917 -0.687 -11.251 1.00 0.00 C ATOM 123 O GLU A 23 -6.919 -0.531 -10.574 1.00 0.00 O ATOM 124 CB GLU A 23 -8.642 -2.951 -11.990 1.00 0.00 C ATOM 125 CG GLU A 23 -7.255 -3.552 -11.763 1.00 0.00 C ATOM 126 CD GLU A 23 -6.708 -4.076 -13.093 1.00 0.00 C ATOM 127 OE1 GLU A 23 -6.719 -3.293 -14.029 1.00 0.00 O ATOM 128 OE2 GLU A 23 -6.311 -5.229 -13.099 1.00 0.00 O ATOM 0 H GLU A 23 -10.876 -1.963 -11.709 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.708 -2.178 -9.944 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.406 -3.722 -11.893 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.718 -2.553 -13.002 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.583 -2.799 -11.351 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.311 -4.362 -11.035 1.00 0.00 H new ATOM 135 N ILE A 24 -8.225 0.090 -12.250 1.00 0.00 N ATOM 136 CA ILE A 24 -7.330 1.228 -12.593 1.00 0.00 C ATOM 137 C ILE A 24 -7.293 2.258 -11.473 1.00 0.00 C ATOM 138 O ILE A 24 -6.350 3.015 -11.357 1.00 0.00 O ATOM 139 CB ILE A 24 -7.865 1.897 -13.859 1.00 0.00 C ATOM 140 CG1 ILE A 24 -8.379 0.837 -14.822 1.00 0.00 C ATOM 141 CG2 ILE A 24 -6.715 2.667 -14.540 1.00 0.00 C ATOM 142 CD1 ILE A 24 -7.308 -0.242 -15.006 1.00 0.00 C ATOM 0 H ILE A 24 -9.051 -0.012 -12.840 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.320 0.847 -12.744 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.676 2.576 -13.596 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.296 0.393 -14.436 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.624 1.290 -15.783 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.085 3.149 -15.445 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.330 3.425 -13.857 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.916 1.973 -14.800 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.673 -1.003 -15.695 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.402 0.210 -15.411 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.085 -0.702 -14.043 1.00 0.00 H new ATOM 154 N GLU A 25 -8.317 2.276 -10.669 1.00 0.00 N ATOM 155 CA GLU A 25 -8.343 3.256 -9.559 1.00 0.00 C ATOM 156 C GLU A 25 -7.445 2.802 -8.423 1.00 0.00 C ATOM 157 O GLU A 25 -6.668 3.573 -7.897 1.00 0.00 O ATOM 158 CB GLU A 25 -9.780 3.368 -9.035 1.00 0.00 C ATOM 159 CG GLU A 25 -9.927 4.683 -8.264 1.00 0.00 C ATOM 160 CD GLU A 25 -11.372 4.832 -7.788 1.00 0.00 C ATOM 161 OE1 GLU A 25 -12.168 4.005 -8.203 1.00 0.00 O ATOM 162 OE2 GLU A 25 -11.600 5.766 -7.037 1.00 0.00 O ATOM 0 H GLU A 25 -9.128 1.660 -10.733 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.988 4.218 -9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.487 3.336 -9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.011 2.523 -8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.248 4.696 -7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.654 5.524 -8.901 1.00 0.00 H new ATOM 169 N GLU A 26 -7.563 1.555 -8.061 1.00 0.00 N ATOM 170 CA GLU A 26 -6.718 1.044 -6.961 1.00 0.00 C ATOM 171 C GLU A 26 -5.257 1.094 -7.357 1.00 0.00 C ATOM 172 O GLU A 26 -4.395 1.362 -6.544 1.00 0.00 O ATOM 173 CB GLU A 26 -7.113 -0.412 -6.678 1.00 0.00 C ATOM 174 CG GLU A 26 -8.500 -0.433 -6.031 1.00 0.00 C ATOM 175 CD GLU A 26 -9.089 -1.841 -6.135 1.00 0.00 C ATOM 176 OE1 GLU A 26 -8.299 -2.767 -6.040 1.00 0.00 O ATOM 177 OE2 GLU A 26 -10.295 -1.911 -6.303 1.00 0.00 O ATOM 0 H GLU A 26 -8.202 0.878 -8.478 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.865 1.660 -6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.120 -0.987 -7.604 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.382 -0.879 -6.018 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.430 -0.133 -4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.155 0.284 -6.526 1.00 0.00 H new ATOM 184 N LEU A 27 -5.001 0.834 -8.606 1.00 0.00 N ATOM 185 CA LEU A 27 -3.605 0.863 -9.081 1.00 0.00 C ATOM 186 C LEU A 27 -3.041 2.257 -8.921 1.00 0.00 C ATOM 187 O LEU A 27 -1.989 2.456 -8.344 1.00 0.00 O ATOM 188 CB LEU A 27 -3.609 0.522 -10.574 1.00 0.00 C ATOM 189 CG LEU A 27 -3.437 -0.979 -10.761 1.00 0.00 C ATOM 190 CD1 LEU A 27 -3.931 -1.348 -12.153 1.00 0.00 C ATOM 191 CD2 LEU A 27 -1.954 -1.340 -10.644 1.00 0.00 C ATOM 0 H LEU A 27 -5.700 0.604 -9.312 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.004 0.155 -8.511 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.544 0.850 -11.029 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.804 1.055 -11.080 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.002 -1.519 -10.001 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.816 -2.421 -12.307 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.983 -1.078 -12.249 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.348 -0.810 -12.900 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.829 -2.415 -10.778 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.389 -0.811 -11.412 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.586 -1.052 -9.659 1.00 0.00 H new ATOM 203 N ARG A 28 -3.766 3.200 -9.436 1.00 0.00 N ATOM 204 CA ARG A 28 -3.325 4.605 -9.351 1.00 0.00 C ATOM 205 C ARG A 28 -2.973 5.002 -7.922 1.00 0.00 C ATOM 206 O ARG A 28 -1.895 5.493 -7.671 1.00 0.00 O ATOM 207 CB ARG A 28 -4.483 5.488 -9.841 1.00 0.00 C ATOM 208 CG ARG A 28 -3.986 6.920 -10.031 1.00 0.00 C ATOM 209 CD ARG A 28 -5.092 7.746 -10.694 1.00 0.00 C ATOM 210 NE ARG A 28 -4.891 9.185 -10.359 1.00 0.00 N ATOM 211 CZ ARG A 28 -5.926 9.975 -10.280 1.00 0.00 C ATOM 212 NH1 ARG A 28 -6.728 9.864 -9.257 1.00 0.00 N ATOM 213 NH2 ARG A 28 -6.127 10.850 -11.227 1.00 0.00 N ATOM 0 H ARG A 28 -4.654 3.053 -9.916 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.431 4.733 -9.961 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.877 5.101 -10.781 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.300 5.468 -9.120 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.716 7.356 -9.069 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.088 6.928 -10.649 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.071 7.605 -11.775 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.070 7.412 -10.348 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.952 9.548 -10.193 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.541 9.168 -8.535 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.542 10.473 -9.179 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.480 10.908 -12.013 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.931 11.476 -11.181 1.00 0.00 H new ATOM 227 N GLU A 29 -3.876 4.776 -7.010 1.00 0.00 N ATOM 228 CA GLU A 29 -3.588 5.145 -5.602 1.00 0.00 C ATOM 229 C GLU A 29 -2.255 4.582 -5.135 1.00 0.00 C ATOM 230 O GLU A 29 -1.421 5.303 -4.622 1.00 0.00 O ATOM 231 CB GLU A 29 -4.704 4.577 -4.713 1.00 0.00 C ATOM 232 CG GLU A 29 -5.642 5.714 -4.297 1.00 0.00 C ATOM 233 CD GLU A 29 -6.090 6.486 -5.540 1.00 0.00 C ATOM 234 OE1 GLU A 29 -7.083 6.063 -6.111 1.00 0.00 O ATOM 235 OE2 GLU A 29 -5.417 7.456 -5.849 1.00 0.00 O ATOM 0 H GLU A 29 -4.790 4.356 -7.178 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.540 6.232 -5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.260 3.809 -5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.276 4.101 -3.831 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.509 5.311 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.134 6.384 -3.603 1.00 0.00 H new ATOM 242 N ALA A 30 -2.070 3.310 -5.317 1.00 0.00 N ATOM 243 CA ALA A 30 -0.791 2.698 -4.882 1.00 0.00 C ATOM 244 C ALA A 30 0.399 3.325 -5.604 1.00 0.00 C ATOM 245 O ALA A 30 1.360 3.717 -4.977 1.00 0.00 O ATOM 246 CB ALA A 30 -0.833 1.194 -5.194 1.00 0.00 C ATOM 0 H ALA A 30 -2.742 2.672 -5.744 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.669 2.869 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.102 0.731 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.664 0.734 -4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.967 1.048 -6.266 1.00 0.00 H new ATOM 252 N PHE A 31 0.325 3.414 -6.908 1.00 0.00 N ATOM 253 CA PHE A 31 1.467 4.018 -7.640 1.00 0.00 C ATOM 254 C PHE A 31 1.702 5.429 -7.150 1.00 0.00 C ATOM 255 O PHE A 31 2.818 5.918 -7.138 1.00 0.00 O ATOM 256 CB PHE A 31 1.123 4.075 -9.134 1.00 0.00 C ATOM 257 CG PHE A 31 2.352 4.548 -9.918 1.00 0.00 C ATOM 258 CD1 PHE A 31 2.655 5.897 -10.016 1.00 0.00 C ATOM 259 CD2 PHE A 31 3.173 3.632 -10.544 1.00 0.00 C ATOM 260 CE1 PHE A 31 3.762 6.312 -10.732 1.00 0.00 C ATOM 261 CE2 PHE A 31 4.274 4.052 -11.257 1.00 0.00 C ATOM 262 CZ PHE A 31 4.569 5.387 -11.351 1.00 0.00 C ATOM 0 H PHE A 31 -0.458 3.102 -7.482 1.00 0.00 H new ATOM 0 HA PHE A 31 2.361 3.417 -7.473 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.810 3.092 -9.485 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.287 4.754 -9.301 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.024 6.627 -9.531 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.950 2.578 -10.474 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.993 7.364 -10.805 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.908 3.326 -11.744 1.00 0.00 H new ATOM 0 HZ PHE A 31 5.434 5.712 -11.910 1.00 0.00 H new ATOM 272 N ARG A 32 0.645 6.056 -6.742 1.00 0.00 N ATOM 273 CA ARG A 32 0.777 7.445 -6.244 1.00 0.00 C ATOM 274 C ARG A 32 1.156 7.467 -4.776 1.00 0.00 C ATOM 275 O ARG A 32 2.162 8.039 -4.401 1.00 0.00 O ATOM 276 CB ARG A 32 -0.562 8.151 -6.408 1.00 0.00 C ATOM 277 CG ARG A 32 -0.323 9.578 -6.893 1.00 0.00 C ATOM 278 CD ARG A 32 0.239 10.405 -5.740 1.00 0.00 C ATOM 279 NE ARG A 32 -0.072 11.840 -5.982 1.00 0.00 N ATOM 280 CZ ARG A 32 -0.864 12.474 -5.162 1.00 0.00 C ATOM 281 NH1 ARG A 32 -1.841 11.818 -4.595 1.00 0.00 N ATOM 282 NH2 ARG A 32 -0.653 13.740 -4.936 1.00 0.00 N ATOM 0 H ARG A 32 -0.300 5.672 -6.731 1.00 0.00 H new ATOM 0 HA ARG A 32 1.559 7.945 -6.815 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.186 7.612 -7.121 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.099 8.162 -5.460 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.373 9.579 -7.732 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -1.255 10.015 -7.251 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.195 10.079 -4.795 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.317 10.260 -5.662 1.00 0.00 H new ATOM 0 HE ARG A 32 0.331 12.325 -6.784 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.974 10.827 -4.796 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.471 12.297 -3.951 1.00 0.00 H new ATOM 0 HH21 ARG A 32 0.121 14.218 -5.397 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.262 14.253 -4.298 1.00 0.00 H new ATOM 296 N GLU A 33 0.337 6.852 -3.965 1.00 0.00 N ATOM 297 CA GLU A 33 0.634 6.826 -2.517 1.00 0.00 C ATOM 298 C GLU A 33 2.104 6.537 -2.296 1.00 0.00 C ATOM 299 O GLU A 33 2.666 6.883 -1.274 1.00 0.00 O ATOM 300 CB GLU A 33 -0.198 5.706 -1.877 1.00 0.00 C ATOM 301 CG GLU A 33 -0.122 5.825 -0.356 1.00 0.00 C ATOM 302 CD GLU A 33 -0.893 7.068 0.096 1.00 0.00 C ATOM 303 OE1 GLU A 33 -2.086 6.918 0.305 1.00 0.00 O ATOM 304 OE2 GLU A 33 -0.246 8.097 0.209 1.00 0.00 O ATOM 0 H GLU A 33 -0.518 6.372 -4.247 1.00 0.00 H new ATOM 0 HA GLU A 33 0.391 7.791 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.235 5.774 -2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.175 4.733 -2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.541 4.934 0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.918 5.893 -0.037 1.00 0.00 H new ATOM 311 N PHE A 34 2.703 5.913 -3.274 1.00 0.00 N ATOM 312 CA PHE A 34 4.138 5.580 -3.168 1.00 0.00 C ATOM 313 C PHE A 34 4.998 6.537 -3.988 1.00 0.00 C ATOM 314 O PHE A 34 6.183 6.656 -3.746 1.00 0.00 O ATOM 315 CB PHE A 34 4.340 4.159 -3.703 1.00 0.00 C ATOM 316 CG PHE A 34 4.054 3.159 -2.584 1.00 0.00 C ATOM 317 CD1 PHE A 34 2.757 2.937 -2.156 1.00 0.00 C ATOM 318 CD2 PHE A 34 5.088 2.463 -1.983 1.00 0.00 C ATOM 319 CE1 PHE A 34 2.501 2.035 -1.146 1.00 0.00 C ATOM 320 CE2 PHE A 34 4.827 1.561 -0.973 1.00 0.00 C ATOM 321 CZ PHE A 34 3.535 1.348 -0.556 1.00 0.00 C ATOM 0 H PHE A 34 2.252 5.622 -4.142 1.00 0.00 H new ATOM 0 HA PHE A 34 4.439 5.662 -2.124 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.676 3.977 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.360 4.035 -4.066 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.941 3.474 -2.616 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.105 2.627 -2.307 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.486 1.868 -0.817 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.639 1.021 -0.509 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.332 0.641 0.235 1.00 0.00 H new ATOM 331 N ASP A 35 4.399 7.210 -4.950 1.00 0.00 N ATOM 332 CA ASP A 35 5.216 8.152 -5.768 1.00 0.00 C ATOM 333 C ASP A 35 5.236 9.555 -5.170 1.00 0.00 C ATOM 334 O ASP A 35 4.566 10.445 -5.655 1.00 0.00 O ATOM 335 CB ASP A 35 4.623 8.236 -7.182 1.00 0.00 C ATOM 336 CG ASP A 35 5.398 9.282 -7.988 1.00 0.00 C ATOM 337 OD1 ASP A 35 6.550 9.490 -7.642 1.00 0.00 O ATOM 338 OD2 ASP A 35 4.794 9.817 -8.902 1.00 0.00 O ATOM 0 H ASP A 35 3.411 7.147 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 35 6.237 7.772 -5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.681 7.264 -7.673 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.568 8.505 -7.132 1.00 0.00 H new ATOM 343 N LYS A 36 6.004 9.731 -4.124 1.00 0.00 N ATOM 344 CA LYS A 36 6.073 11.074 -3.495 1.00 0.00 C ATOM 345 C LYS A 36 6.452 12.111 -4.547 1.00 0.00 C ATOM 346 O LYS A 36 6.513 13.291 -4.272 1.00 0.00 O ATOM 347 CB LYS A 36 7.141 11.046 -2.355 1.00 0.00 C ATOM 348 CG LYS A 36 8.573 11.226 -2.916 1.00 0.00 C ATOM 349 CD LYS A 36 9.005 9.959 -3.658 1.00 0.00 C ATOM 350 CE LYS A 36 9.923 9.138 -2.757 1.00 0.00 C ATOM 351 NZ LYS A 36 9.851 7.696 -3.126 1.00 0.00 N ATOM 0 H LYS A 36 6.577 9.010 -3.687 1.00 0.00 H new ATOM 0 HA LYS A 36 5.103 11.340 -3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.928 11.837 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.076 10.100 -1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.604 12.081 -3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 36 9.268 11.436 -2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.131 9.372 -3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.522 10.222 -4.581 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.949 9.494 -2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.633 9.269 -1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.480 7.147 -2.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.874 7.358 -3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.149 7.575 -4.115 1.00 0.00 H new ATOM 365 N ASP A 37 6.708 11.619 -5.738 1.00 0.00 N ATOM 366 CA ASP A 37 7.092 12.502 -6.875 1.00 0.00 C ATOM 367 C ASP A 37 8.590 12.803 -6.880 1.00 0.00 C ATOM 368 O ASP A 37 9.024 13.861 -6.464 1.00 0.00 O ATOM 369 CB ASP A 37 6.297 13.826 -6.807 1.00 0.00 C ATOM 370 CG ASP A 37 6.136 14.375 -8.228 1.00 0.00 C ATOM 371 OD1 ASP A 37 6.739 13.777 -9.113 1.00 0.00 O ATOM 372 OD2 ASP A 37 5.425 15.359 -8.352 1.00 0.00 O ATOM 0 H ASP A 37 6.665 10.626 -5.968 1.00 0.00 H new ATOM 0 HA ASP A 37 6.853 11.973 -7.798 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.320 13.657 -6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.819 14.548 -6.180 1.00 0.00 H new ATOM 377 N LYS A 38 9.348 11.850 -7.355 1.00 0.00 N ATOM 378 CA LYS A 38 10.820 12.028 -7.413 1.00 0.00 C ATOM 379 C LYS A 38 11.248 12.308 -8.842 1.00 0.00 C ATOM 380 O LYS A 38 12.373 12.685 -9.100 1.00 0.00 O ATOM 381 CB LYS A 38 11.486 10.719 -6.953 1.00 0.00 C ATOM 382 CG LYS A 38 12.779 11.045 -6.202 1.00 0.00 C ATOM 383 CD LYS A 38 13.705 9.825 -6.248 1.00 0.00 C ATOM 384 CE LYS A 38 14.501 9.841 -7.557 1.00 0.00 C ATOM 385 NZ LYS A 38 15.698 10.720 -7.433 1.00 0.00 N ATOM 0 H LYS A 38 9.006 10.955 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 38 11.114 12.861 -6.774 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.808 10.160 -6.308 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.702 10.086 -7.813 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.270 11.907 -6.654 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.557 11.310 -5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.385 9.838 -5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.121 8.908 -6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.812 8.828 -7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.867 10.194 -8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.225 10.718 -8.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.395 11.690 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.311 10.366 -6.671 1.00 0.00 H new ATOM 399 N ASP A 39 10.327 12.121 -9.742 1.00 0.00 N ATOM 400 CA ASP A 39 10.626 12.360 -11.170 1.00 0.00 C ATOM 401 C ASP A 39 9.408 12.028 -12.013 1.00 0.00 C ATOM 402 O ASP A 39 9.139 12.670 -13.008 1.00 0.00 O ATOM 403 CB ASP A 39 11.760 11.418 -11.579 1.00 0.00 C ATOM 404 CG ASP A 39 11.532 10.062 -10.911 1.00 0.00 C ATOM 405 OD1 ASP A 39 10.438 9.897 -10.380 1.00 0.00 O ATOM 406 OD2 ASP A 39 12.457 9.265 -10.969 1.00 0.00 O ATOM 0 H ASP A 39 9.376 11.811 -9.544 1.00 0.00 H new ATOM 0 HA ASP A 39 10.902 13.404 -11.320 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.787 11.306 -12.663 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.723 11.831 -11.278 1.00 0.00 H new ATOM 411 N GLY A 40 8.690 11.020 -11.583 1.00 0.00 N ATOM 412 CA GLY A 40 7.467 10.598 -12.329 1.00 0.00 C ATOM 413 C GLY A 40 7.475 9.080 -12.549 1.00 0.00 C ATOM 414 O GLY A 40 6.673 8.556 -13.298 1.00 0.00 O ATOM 0 H GLY A 40 8.899 10.472 -10.748 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.575 10.887 -11.772 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.423 11.111 -13.290 1.00 0.00 H new ATOM 418 N TYR A 41 8.383 8.403 -11.889 1.00 0.00 N ATOM 419 CA TYR A 41 8.455 6.924 -12.050 1.00 0.00 C ATOM 420 C TYR A 41 8.958 6.260 -10.769 1.00 0.00 C ATOM 421 O TYR A 41 9.600 6.899 -9.957 1.00 0.00 O ATOM 422 CB TYR A 41 9.446 6.612 -13.182 1.00 0.00 C ATOM 423 CG TYR A 41 9.200 7.565 -14.353 1.00 0.00 C ATOM 424 CD1 TYR A 41 8.179 7.324 -15.246 1.00 0.00 C ATOM 425 CD2 TYR A 41 10.000 8.675 -14.537 1.00 0.00 C ATOM 426 CE1 TYR A 41 7.959 8.176 -16.308 1.00 0.00 C ATOM 427 CE2 TYR A 41 9.781 9.527 -15.599 1.00 0.00 C ATOM 428 CZ TYR A 41 8.758 9.284 -16.493 1.00 0.00 C ATOM 429 OH TYR A 41 8.540 10.133 -17.557 1.00 0.00 O ATOM 0 H TYR A 41 9.069 8.809 -11.253 1.00 0.00 H new ATOM 0 HA TYR A 41 7.459 6.542 -12.275 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.470 6.717 -12.823 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.327 5.579 -13.509 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.545 6.460 -15.113 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.803 8.878 -13.844 1.00 0.00 H new ATOM 0 HE1 TYR A 41 7.155 7.974 -17.000 1.00 0.00 H new ATOM 0 HE2 TYR A 41 10.415 10.391 -15.732 1.00 0.00 H new ATOM 0 HH TYR A 41 9.195 10.862 -17.533 1.00 0.00 H new ATOM 439 N ILE A 42 8.658 4.978 -10.613 1.00 0.00 N ATOM 440 CA ILE A 42 9.117 4.255 -9.382 1.00 0.00 C ATOM 441 C ILE A 42 10.139 3.182 -9.720 1.00 0.00 C ATOM 442 O ILE A 42 10.208 2.714 -10.840 1.00 0.00 O ATOM 443 CB ILE A 42 7.912 3.589 -8.712 1.00 0.00 C ATOM 444 CG1 ILE A 42 6.813 3.352 -9.728 1.00 0.00 C ATOM 445 CG2 ILE A 42 7.375 4.532 -7.619 1.00 0.00 C ATOM 446 CD1 ILE A 42 5.593 2.767 -9.014 1.00 0.00 C ATOM 0 H ILE A 42 8.124 4.417 -11.277 1.00 0.00 H new ATOM 0 HA ILE A 42 9.581 4.981 -8.714 1.00 0.00 H new ATOM 0 HB ILE A 42 8.219 2.634 -8.285 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.548 4.287 -10.221 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.159 2.669 -10.504 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.515 4.072 -7.132 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.156 4.715 -6.881 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.073 5.477 -8.070 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.797 2.593 -9.738 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.866 1.824 -8.541 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.246 3.467 -8.254 1.00 0.00 H new ATOM 458 N ASN A 43 10.918 2.808 -8.735 1.00 0.00 N ATOM 459 CA ASN A 43 11.948 1.767 -8.964 1.00 0.00 C ATOM 460 C ASN A 43 11.457 0.399 -8.514 1.00 0.00 C ATOM 461 O ASN A 43 10.523 0.289 -7.750 1.00 0.00 O ATOM 462 CB ASN A 43 13.198 2.133 -8.150 1.00 0.00 C ATOM 463 CG ASN A 43 12.804 3.088 -7.022 1.00 0.00 C ATOM 464 OD1 ASN A 43 12.297 4.168 -7.256 1.00 0.00 O ATOM 465 ND2 ASN A 43 13.022 2.733 -5.784 1.00 0.00 N ATOM 0 H ASN A 43 10.880 3.182 -7.787 1.00 0.00 H new ATOM 0 HA ASN A 43 12.170 1.722 -10.030 1.00 0.00 H new ATOM 0 HB2 ASN A 43 13.654 1.233 -7.738 1.00 0.00 H new ATOM 0 HB3 ASN A 43 13.942 2.601 -8.795 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.767 3.360 -5.021 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.447 1.828 -5.580 1.00 0.00 H new ATOM 472 N CYS A 44 12.092 -0.619 -9.007 1.00 0.00 N ATOM 473 CA CYS A 44 11.684 -1.990 -8.625 1.00 0.00 C ATOM 474 C CYS A 44 11.678 -2.162 -7.108 1.00 0.00 C ATOM 475 O CYS A 44 10.812 -2.815 -6.559 1.00 0.00 O ATOM 476 CB CYS A 44 12.698 -2.971 -9.235 1.00 0.00 C ATOM 477 SG CYS A 44 13.575 -4.080 -8.104 1.00 0.00 S ATOM 0 H CYS A 44 12.875 -0.561 -9.658 1.00 0.00 H new ATOM 0 HA CYS A 44 10.675 -2.180 -8.992 1.00 0.00 H new ATOM 0 HB2 CYS A 44 12.173 -3.584 -9.968 1.00 0.00 H new ATOM 0 HB3 CYS A 44 13.442 -2.390 -9.780 1.00 0.00 H new ATOM 0 HG CYS A 44 14.386 -4.838 -8.781 1.00 0.00 H new ATOM 483 N ARG A 45 12.640 -1.573 -6.456 1.00 0.00 N ATOM 484 CA ARG A 45 12.700 -1.697 -4.979 1.00 0.00 C ATOM 485 C ARG A 45 11.464 -1.083 -4.334 1.00 0.00 C ATOM 486 O ARG A 45 10.987 -1.562 -3.325 1.00 0.00 O ATOM 487 CB ARG A 45 13.947 -0.952 -4.482 1.00 0.00 C ATOM 488 CG ARG A 45 15.194 -1.648 -5.035 1.00 0.00 C ATOM 489 CD ARG A 45 15.723 -2.638 -3.994 1.00 0.00 C ATOM 490 NE ARG A 45 16.794 -1.978 -3.197 1.00 0.00 N ATOM 491 CZ ARG A 45 17.568 -2.704 -2.438 1.00 0.00 C ATOM 492 NH1 ARG A 45 18.081 -3.800 -2.926 1.00 0.00 N ATOM 493 NH2 ARG A 45 17.802 -2.310 -1.216 1.00 0.00 N ATOM 0 H ARG A 45 13.381 -1.015 -6.880 1.00 0.00 H new ATOM 0 HA ARG A 45 12.743 -2.752 -4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 45 13.920 0.088 -4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 45 13.972 -0.944 -3.392 1.00 0.00 H new ATOM 0 HG2 ARG A 45 14.953 -2.170 -5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 45 15.960 -0.911 -5.275 1.00 0.00 H new ATOM 0 HD2 ARG A 45 14.914 -2.965 -3.340 1.00 0.00 H new ATOM 0 HD3 ARG A 45 16.114 -3.528 -4.486 1.00 0.00 H new ATOM 0 HE ARG A 45 16.921 -0.967 -3.244 1.00 0.00 H new ATOM 0 HH11 ARG A 45 17.875 -4.076 -3.886 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.688 -4.380 -2.348 1.00 0.00 H new ATOM 0 HH21 ARG A 45 17.382 -1.448 -0.869 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.405 -2.865 -0.608 1.00 0.00 H new ATOM 507 N ASP A 46 10.967 -0.033 -4.927 1.00 0.00 N ATOM 508 CA ASP A 46 9.764 0.617 -4.357 1.00 0.00 C ATOM 509 C ASP A 46 8.549 -0.285 -4.509 1.00 0.00 C ATOM 510 O ASP A 46 7.897 -0.611 -3.542 1.00 0.00 O ATOM 511 CB ASP A 46 9.504 1.934 -5.116 1.00 0.00 C ATOM 512 CG ASP A 46 10.433 3.028 -4.580 1.00 0.00 C ATOM 513 OD1 ASP A 46 10.951 2.816 -3.497 1.00 0.00 O ATOM 514 OD2 ASP A 46 10.571 4.015 -5.286 1.00 0.00 O ATOM 0 H ASP A 46 11.341 0.397 -5.773 1.00 0.00 H new ATOM 0 HA ASP A 46 9.933 0.810 -3.298 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.673 1.790 -6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.463 2.235 -4.996 1.00 0.00 H new ATOM 519 N LEU A 47 8.260 -0.681 -5.721 1.00 0.00 N ATOM 520 CA LEU A 47 7.090 -1.556 -5.914 1.00 0.00 C ATOM 521 C LEU A 47 7.069 -2.680 -4.913 1.00 0.00 C ATOM 522 O LEU A 47 6.031 -2.983 -4.361 1.00 0.00 O ATOM 523 CB LEU A 47 7.124 -2.126 -7.316 1.00 0.00 C ATOM 524 CG LEU A 47 6.361 -1.171 -8.213 1.00 0.00 C ATOM 525 CD1 LEU A 47 7.201 0.084 -8.407 1.00 0.00 C ATOM 526 CD2 LEU A 47 6.104 -1.832 -9.548 1.00 0.00 C ATOM 0 H LEU A 47 8.778 -0.437 -6.565 1.00 0.00 H new ATOM 0 HA LEU A 47 6.188 -0.961 -5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.152 -2.237 -7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.672 -3.117 -7.338 1.00 0.00 H new ATOM 0 HG LEU A 47 5.405 -0.909 -7.760 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.667 0.783 -9.051 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.387 0.551 -7.440 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.151 -0.182 -8.870 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.555 -1.146 -10.194 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.054 -2.089 -10.016 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.517 -2.738 -9.398 1.00 0.00 H new ATOM 538 N GLY A 48 8.200 -3.301 -4.700 1.00 0.00 N ATOM 539 CA GLY A 48 8.230 -4.409 -3.723 1.00 0.00 C ATOM 540 C GLY A 48 7.438 -3.988 -2.490 1.00 0.00 C ATOM 541 O GLY A 48 6.730 -4.779 -1.890 1.00 0.00 O ATOM 0 H GLY A 48 9.087 -3.088 -5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.800 -5.311 -4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.258 -4.646 -3.450 1.00 0.00 H new ATOM 545 N ASN A 49 7.566 -2.732 -2.150 1.00 0.00 N ATOM 546 CA ASN A 49 6.840 -2.222 -0.972 1.00 0.00 C ATOM 547 C ASN A 49 5.423 -1.814 -1.373 1.00 0.00 C ATOM 548 O ASN A 49 4.510 -1.876 -0.574 1.00 0.00 O ATOM 549 CB ASN A 49 7.593 -0.997 -0.421 1.00 0.00 C ATOM 550 CG ASN A 49 8.897 -1.461 0.235 1.00 0.00 C ATOM 551 OD1 ASN A 49 9.899 -1.660 -0.423 1.00 0.00 O ATOM 552 ND2 ASN A 49 8.928 -1.646 1.527 1.00 0.00 N ATOM 0 H ASN A 49 8.141 -2.047 -2.641 1.00 0.00 H new ATOM 0 HA ASN A 49 6.781 -2.999 -0.210 1.00 0.00 H new ATOM 0 HB2 ASN A 49 7.807 -0.294 -1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.974 -0.471 0.305 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.789 -1.955 1.977 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.091 -1.481 2.086 1.00 0.00 H new ATOM 559 N CYS A 50 5.261 -1.398 -2.615 1.00 0.00 N ATOM 560 CA CYS A 50 3.907 -0.990 -3.068 1.00 0.00 C ATOM 561 C CYS A 50 3.066 -2.232 -3.274 1.00 0.00 C ATOM 562 O CYS A 50 1.900 -2.271 -2.932 1.00 0.00 O ATOM 563 CB CYS A 50 4.033 -0.253 -4.416 1.00 0.00 C ATOM 564 SG CYS A 50 3.714 -1.213 -5.917 1.00 0.00 S ATOM 0 H CYS A 50 6.000 -1.328 -3.314 1.00 0.00 H new ATOM 0 HA CYS A 50 3.445 -0.340 -2.325 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.346 0.593 -4.404 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.041 0.156 -4.484 1.00 0.00 H new ATOM 0 HG CYS A 50 2.508 -0.971 -6.339 1.00 0.00 H new ATOM 570 N MET A 51 3.689 -3.233 -3.832 1.00 0.00 N ATOM 571 CA MET A 51 2.974 -4.499 -4.082 1.00 0.00 C ATOM 572 C MET A 51 2.525 -5.117 -2.766 1.00 0.00 C ATOM 573 O MET A 51 1.373 -5.476 -2.607 1.00 0.00 O ATOM 574 CB MET A 51 3.949 -5.463 -4.778 1.00 0.00 C ATOM 575 CG MET A 51 4.027 -5.121 -6.266 1.00 0.00 C ATOM 576 SD MET A 51 2.494 -5.216 -7.221 1.00 0.00 S ATOM 577 CE MET A 51 2.307 -7.016 -7.174 1.00 0.00 C ATOM 0 H MET A 51 4.666 -3.221 -4.124 1.00 0.00 H new ATOM 0 HA MET A 51 2.097 -4.313 -4.702 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.937 -5.388 -4.324 1.00 0.00 H new ATOM 0 HB3 MET A 51 3.615 -6.492 -4.647 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.420 -4.109 -6.359 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.754 -5.789 -6.728 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.525 -7.319 -7.870 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.248 -7.487 -7.458 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.035 -7.327 -6.165 1.00 0.00 H new ATOM 587 N ARG A 52 3.443 -5.233 -1.838 1.00 0.00 N ATOM 588 CA ARG A 52 3.077 -5.825 -0.532 1.00 0.00 C ATOM 589 C ARG A 52 1.977 -5.003 0.125 1.00 0.00 C ATOM 590 O ARG A 52 1.114 -5.531 0.791 1.00 0.00 O ATOM 591 CB ARG A 52 4.322 -5.819 0.375 1.00 0.00 C ATOM 592 CG ARG A 52 3.879 -5.783 1.842 1.00 0.00 C ATOM 593 CD ARG A 52 5.077 -6.102 2.737 1.00 0.00 C ATOM 594 NE ARG A 52 6.156 -5.109 2.471 1.00 0.00 N ATOM 595 CZ ARG A 52 6.477 -4.253 3.400 1.00 0.00 C ATOM 596 NH1 ARG A 52 7.294 -4.627 4.346 1.00 0.00 N ATOM 597 NH2 ARG A 52 5.967 -3.052 3.354 1.00 0.00 N ATOM 0 H ARG A 52 4.417 -4.945 -1.934 1.00 0.00 H new ATOM 0 HA ARG A 52 2.718 -6.843 -0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.927 -6.706 0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.946 -4.954 0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.477 -4.800 2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.081 -6.506 2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.783 -6.068 3.786 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.437 -7.112 2.539 1.00 0.00 H new ATOM 0 HE ARG A 52 6.638 -5.099 1.572 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.670 -5.575 4.350 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.557 -3.971 5.082 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.329 -2.797 2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.206 -2.368 4.072 1.00 0.00 H new ATOM 611 N THR A 53 2.029 -3.720 -0.075 1.00 0.00 N ATOM 612 CA THR A 53 0.998 -2.852 0.528 1.00 0.00 C ATOM 613 C THR A 53 -0.298 -2.937 -0.264 1.00 0.00 C ATOM 614 O THR A 53 -1.341 -2.513 0.195 1.00 0.00 O ATOM 615 CB THR A 53 1.509 -1.407 0.498 1.00 0.00 C ATOM 616 OG1 THR A 53 2.181 -1.223 1.727 1.00 0.00 O ATOM 617 CG2 THR A 53 0.345 -0.408 0.544 1.00 0.00 C ATOM 0 H THR A 53 2.739 -3.240 -0.628 1.00 0.00 H new ATOM 0 HA THR A 53 0.804 -3.174 1.551 1.00 0.00 H new ATOM 0 HB THR A 53 2.109 -1.250 -0.398 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.145 -1.334 1.592 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.737 0.609 0.521 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.304 -0.566 -0.317 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.226 -0.556 1.461 1.00 0.00 H new ATOM 625 N MET A 54 -0.215 -3.493 -1.441 1.00 0.00 N ATOM 626 CA MET A 54 -1.432 -3.612 -2.271 1.00 0.00 C ATOM 627 C MET A 54 -2.206 -4.888 -1.946 1.00 0.00 C ATOM 628 O MET A 54 -3.404 -4.947 -2.134 1.00 0.00 O ATOM 629 CB MET A 54 -1.015 -3.650 -3.748 1.00 0.00 C ATOM 630 CG MET A 54 -2.262 -3.493 -4.619 1.00 0.00 C ATOM 631 SD MET A 54 -3.236 -4.986 -4.948 1.00 0.00 S ATOM 632 CE MET A 54 -4.740 -4.171 -5.553 1.00 0.00 C ATOM 0 H MET A 54 0.639 -3.866 -1.856 1.00 0.00 H new ATOM 0 HA MET A 54 -2.077 -2.758 -2.065 1.00 0.00 H new ATOM 0 HB2 MET A 54 -0.304 -2.851 -3.960 1.00 0.00 H new ATOM 0 HB3 MET A 54 -0.513 -4.591 -3.974 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.916 -2.761 -4.144 1.00 0.00 H new ATOM 0 HG3 MET A 54 -1.955 -3.072 -5.576 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.482 -4.925 -5.816 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.141 -3.523 -4.774 1.00 0.00 H new ATOM 0 HE3 MET A 54 -4.502 -3.575 -6.434 1.00 0.00 H new ATOM 642 N GLY A 55 -1.511 -5.890 -1.464 1.00 0.00 N ATOM 643 CA GLY A 55 -2.214 -7.167 -1.126 1.00 0.00 C ATOM 644 C GLY A 55 -1.591 -7.843 0.105 1.00 0.00 C ATOM 645 O GLY A 55 -2.151 -8.777 0.645 1.00 0.00 O ATOM 0 H GLY A 55 -0.506 -5.881 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.268 -6.964 -0.937 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.168 -7.846 -1.978 1.00 0.00 H new ATOM 649 N TYR A 56 -0.453 -7.360 0.527 1.00 0.00 N ATOM 650 CA TYR A 56 0.199 -7.975 1.717 1.00 0.00 C ATOM 651 C TYR A 56 0.158 -9.490 1.626 1.00 0.00 C ATOM 652 O TYR A 56 0.231 -10.173 2.630 1.00 0.00 O ATOM 653 CB TYR A 56 -0.565 -7.545 2.984 1.00 0.00 C ATOM 654 CG TYR A 56 -0.848 -6.041 2.944 1.00 0.00 C ATOM 655 CD1 TYR A 56 -1.917 -5.545 2.226 1.00 0.00 C ATOM 656 CD2 TYR A 56 -0.049 -5.161 3.645 1.00 0.00 C ATOM 657 CE1 TYR A 56 -2.184 -4.191 2.211 1.00 0.00 C ATOM 658 CE2 TYR A 56 -0.316 -3.808 3.631 1.00 0.00 C ATOM 659 CZ TYR A 56 -1.386 -3.312 2.915 1.00 0.00 C ATOM 660 OH TYR A 56 -1.654 -1.958 2.904 1.00 0.00 O ATOM 0 H TYR A 56 0.047 -6.577 0.106 1.00 0.00 H new ATOM 0 HA TYR A 56 1.237 -7.644 1.756 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.502 -8.097 3.058 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.020 -7.789 3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -2.550 -6.222 1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.792 -5.535 4.209 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.024 -3.816 1.644 1.00 0.00 H new ATOM 0 HE2 TYR A 56 0.318 -3.131 4.185 1.00 0.00 H new ATOM 0 HH TYR A 56 -1.940 -1.688 2.006 1.00 0.00 H new ATOM 670 N MET A 57 0.044 -9.983 0.421 1.00 0.00 N ATOM 671 CA MET A 57 -0.007 -11.453 0.218 1.00 0.00 C ATOM 672 C MET A 57 1.259 -11.999 -0.480 1.00 0.00 C ATOM 673 O MET A 57 1.661 -13.117 -0.229 1.00 0.00 O ATOM 674 CB MET A 57 -1.241 -11.772 -0.652 1.00 0.00 C ATOM 675 CG MET A 57 -1.013 -13.088 -1.396 1.00 0.00 C ATOM 676 SD MET A 57 -2.465 -13.892 -2.119 1.00 0.00 S ATOM 677 CE MET A 57 -1.573 -14.992 -3.246 1.00 0.00 C ATOM 0 H MET A 57 -0.016 -9.426 -0.431 1.00 0.00 H new ATOM 0 HA MET A 57 -0.067 -11.931 1.196 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.131 -11.845 -0.027 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.416 -10.965 -1.364 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.296 -12.904 -2.196 1.00 0.00 H new ATOM 0 HG3 MET A 57 -0.547 -13.790 -0.705 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.287 -15.595 -3.807 1.00 0.00 H new ATOM 0 HE2 MET A 57 -0.977 -14.398 -3.939 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.917 -15.646 -2.672 1.00 0.00 H new ATOM 687 N PRO A 58 1.871 -11.196 -1.344 1.00 0.00 N ATOM 688 CA PRO A 58 3.074 -11.629 -2.052 1.00 0.00 C ATOM 689 C PRO A 58 4.265 -11.743 -1.106 1.00 0.00 C ATOM 690 O PRO A 58 4.156 -11.455 0.070 1.00 0.00 O ATOM 691 CB PRO A 58 3.342 -10.520 -3.093 1.00 0.00 C ATOM 692 CG PRO A 58 2.264 -9.413 -2.877 1.00 0.00 C ATOM 693 CD PRO A 58 1.412 -9.838 -1.670 1.00 0.00 C ATOM 0 HA PRO A 58 2.937 -12.612 -2.503 1.00 0.00 H new ATOM 0 HB2 PRO A 58 4.344 -10.110 -2.969 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.284 -10.921 -4.105 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.735 -8.447 -2.694 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.643 -9.302 -3.766 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.553 -9.160 -0.828 1.00 0.00 H new ATOM 0 HD3 PRO A 58 0.349 -9.827 -1.913 1.00 0.00 H new ATOM 701 N THR A 59 5.384 -12.161 -1.634 1.00 0.00 N ATOM 702 CA THR A 59 6.585 -12.298 -0.777 1.00 0.00 C ATOM 703 C THR A 59 7.356 -10.987 -0.722 1.00 0.00 C ATOM 704 O THR A 59 6.876 -9.973 -1.177 1.00 0.00 O ATOM 705 CB THR A 59 7.486 -13.382 -1.377 1.00 0.00 C ATOM 706 OG1 THR A 59 7.943 -12.856 -2.603 1.00 0.00 O ATOM 707 CG2 THR A 59 6.661 -14.617 -1.768 1.00 0.00 C ATOM 0 H THR A 59 5.513 -12.411 -2.615 1.00 0.00 H new ATOM 0 HA THR A 59 6.277 -12.565 0.234 1.00 0.00 H new ATOM 0 HB THR A 59 8.266 -13.651 -0.664 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.769 -13.312 -2.867 1.00 0.00 H new ATOM 0 HG21 THR A 59 7.319 -15.375 -2.192 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.167 -15.019 -0.884 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.910 -14.334 -2.506 1.00 0.00 H new ATOM 715 N GLU A 60 8.541 -11.037 -0.162 1.00 0.00 N ATOM 716 CA GLU A 60 9.367 -9.804 -0.063 1.00 0.00 C ATOM 717 C GLU A 60 10.554 -9.863 -1.018 1.00 0.00 C ATOM 718 O GLU A 60 11.577 -9.251 -0.778 1.00 0.00 O ATOM 719 CB GLU A 60 9.892 -9.690 1.378 1.00 0.00 C ATOM 720 CG GLU A 60 8.783 -9.124 2.268 1.00 0.00 C ATOM 721 CD GLU A 60 8.954 -7.609 2.389 1.00 0.00 C ATOM 722 OE1 GLU A 60 9.612 -7.067 1.516 1.00 0.00 O ATOM 723 OE2 GLU A 60 8.416 -7.078 3.347 1.00 0.00 O ATOM 0 H GLU A 60 8.966 -11.878 0.228 1.00 0.00 H new ATOM 0 HA GLU A 60 8.754 -8.943 -0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.206 -10.668 1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.768 -9.042 1.410 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.806 -9.358 1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.822 -9.586 3.255 1.00 0.00 H new ATOM 730 N MET A 61 10.399 -10.592 -2.088 1.00 0.00 N ATOM 731 CA MET A 61 11.514 -10.691 -3.058 1.00 0.00 C ATOM 732 C MET A 61 11.028 -11.187 -4.413 1.00 0.00 C ATOM 733 O MET A 61 11.718 -11.055 -5.402 1.00 0.00 O ATOM 734 CB MET A 61 12.554 -11.681 -2.506 1.00 0.00 C ATOM 735 CG MET A 61 11.850 -12.972 -2.082 1.00 0.00 C ATOM 736 SD MET A 61 11.388 -14.135 -3.389 1.00 0.00 S ATOM 737 CE MET A 61 12.864 -15.179 -3.294 1.00 0.00 C ATOM 0 H MET A 61 9.557 -11.116 -2.327 1.00 0.00 H new ATOM 0 HA MET A 61 11.948 -9.701 -3.194 1.00 0.00 H new ATOM 0 HB2 MET A 61 13.306 -11.896 -3.265 1.00 0.00 H new ATOM 0 HB3 MET A 61 13.075 -11.242 -1.656 1.00 0.00 H new ATOM 0 HG2 MET A 61 12.499 -13.495 -1.380 1.00 0.00 H new ATOM 0 HG3 MET A 61 10.946 -12.700 -1.538 1.00 0.00 H new ATOM 0 HE1 MET A 61 12.791 -15.980 -4.030 1.00 0.00 H new ATOM 0 HE2 MET A 61 13.749 -14.577 -3.499 1.00 0.00 H new ATOM 0 HE3 MET A 61 12.942 -15.609 -2.296 1.00 0.00 H new ATOM 747 N GLU A 62 9.853 -11.757 -4.443 1.00 0.00 N ATOM 748 CA GLU A 62 9.341 -12.254 -5.742 1.00 0.00 C ATOM 749 C GLU A 62 8.803 -11.097 -6.572 1.00 0.00 C ATOM 750 O GLU A 62 9.070 -11.002 -7.761 1.00 0.00 O ATOM 751 CB GLU A 62 8.212 -13.273 -5.481 1.00 0.00 C ATOM 752 CG GLU A 62 6.929 -12.537 -5.081 1.00 0.00 C ATOM 753 CD GLU A 62 6.264 -11.952 -6.328 1.00 0.00 C ATOM 754 OE1 GLU A 62 6.568 -12.461 -7.393 1.00 0.00 O ATOM 755 OE2 GLU A 62 5.489 -11.028 -6.143 1.00 0.00 O ATOM 0 H GLU A 62 9.240 -11.896 -3.640 1.00 0.00 H new ATOM 0 HA GLU A 62 10.153 -12.731 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.035 -13.870 -6.375 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.508 -13.963 -4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.246 -13.222 -4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.160 -11.742 -4.372 1.00 0.00 H new ATOM 762 N LEU A 63 8.051 -10.229 -5.940 1.00 0.00 N ATOM 763 CA LEU A 63 7.506 -9.085 -6.699 1.00 0.00 C ATOM 764 C LEU A 63 8.642 -8.449 -7.461 1.00 0.00 C ATOM 765 O LEU A 63 8.456 -7.861 -8.508 1.00 0.00 O ATOM 766 CB LEU A 63 6.898 -8.045 -5.721 1.00 0.00 C ATOM 767 CG LEU A 63 7.014 -8.550 -4.277 1.00 0.00 C ATOM 768 CD1 LEU A 63 8.461 -8.375 -3.801 1.00 0.00 C ATOM 769 CD2 LEU A 63 6.084 -7.730 -3.378 1.00 0.00 C ATOM 0 H LEU A 63 7.800 -10.269 -4.952 1.00 0.00 H new ATOM 0 HA LEU A 63 6.726 -9.424 -7.381 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.416 -7.091 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.852 -7.868 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 63 6.734 -9.602 -4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.552 -8.732 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.128 -8.948 -4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.733 -7.320 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.164 -8.086 -2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.370 -6.679 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.055 -7.840 -3.721 1.00 0.00 H new ATOM 781 N ILE A 64 9.815 -8.585 -6.907 1.00 0.00 N ATOM 782 CA ILE A 64 10.991 -8.019 -7.548 1.00 0.00 C ATOM 783 C ILE A 64 11.280 -8.772 -8.841 1.00 0.00 C ATOM 784 O ILE A 64 11.543 -8.174 -9.865 1.00 0.00 O ATOM 785 CB ILE A 64 12.156 -8.174 -6.556 1.00 0.00 C ATOM 786 CG1 ILE A 64 12.623 -6.808 -6.125 1.00 0.00 C ATOM 787 CG2 ILE A 64 13.336 -8.914 -7.224 1.00 0.00 C ATOM 788 CD1 ILE A 64 11.526 -6.148 -5.287 1.00 0.00 C ATOM 0 H ILE A 64 9.991 -9.072 -6.028 1.00 0.00 H new ATOM 0 HA ILE A 64 10.843 -6.969 -7.801 1.00 0.00 H new ATOM 0 HB ILE A 64 11.812 -8.748 -5.696 1.00 0.00 H new ATOM 0 HG12 ILE A 64 13.542 -6.890 -5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 64 12.850 -6.195 -6.997 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.153 -9.016 -6.509 1.00 0.00 H new ATOM 0 HG22 ILE A 64 13.010 -9.903 -7.546 1.00 0.00 H new ATOM 0 HG23 ILE A 64 13.679 -8.346 -8.089 1.00 0.00 H new ATOM 0 HD11 ILE A 64 11.856 -5.158 -4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 64 10.619 -6.055 -5.884 1.00 0.00 H new ATOM 0 HD13 ILE A 64 11.321 -6.760 -4.409 1.00 0.00 H new ATOM 800 N GLU A 65 11.211 -10.076 -8.773 1.00 0.00 N ATOM 801 CA GLU A 65 11.476 -10.874 -9.985 1.00 0.00 C ATOM 802 C GLU A 65 10.664 -10.336 -11.145 1.00 0.00 C ATOM 803 O GLU A 65 11.109 -10.342 -12.275 1.00 0.00 O ATOM 804 CB GLU A 65 11.068 -12.329 -9.716 1.00 0.00 C ATOM 805 CG GLU A 65 12.178 -13.257 -10.216 1.00 0.00 C ATOM 806 CD GLU A 65 11.646 -14.689 -10.291 1.00 0.00 C ATOM 807 OE1 GLU A 65 10.469 -14.815 -10.582 1.00 0.00 O ATOM 808 OE2 GLU A 65 12.450 -15.577 -10.052 1.00 0.00 O ATOM 0 H GLU A 65 10.984 -10.610 -7.934 1.00 0.00 H new ATOM 0 HA GLU A 65 12.536 -10.818 -10.234 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.901 -12.482 -8.650 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.130 -12.557 -10.222 1.00 0.00 H new ATOM 0 HG2 GLU A 65 12.523 -12.933 -11.198 1.00 0.00 H new ATOM 0 HG3 GLU A 65 13.036 -13.210 -9.545 1.00 0.00 H new ATOM 815 N LEU A 66 9.478 -9.882 -10.849 1.00 0.00 N ATOM 816 CA LEU A 66 8.626 -9.337 -11.929 1.00 0.00 C ATOM 817 C LEU A 66 9.103 -7.947 -12.309 1.00 0.00 C ATOM 818 O LEU A 66 9.249 -7.622 -13.477 1.00 0.00 O ATOM 819 CB LEU A 66 7.183 -9.255 -11.417 1.00 0.00 C ATOM 820 CG LEU A 66 6.465 -10.566 -11.744 1.00 0.00 C ATOM 821 CD1 LEU A 66 7.127 -11.710 -10.969 1.00 0.00 C ATOM 822 CD2 LEU A 66 4.998 -10.455 -11.325 1.00 0.00 C ATOM 0 H LEU A 66 9.070 -9.867 -9.914 1.00 0.00 H new ATOM 0 HA LEU A 66 8.681 -9.984 -12.805 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.174 -9.079 -10.341 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.665 -8.416 -11.882 1.00 0.00 H new ATOM 0 HG LEU A 66 6.527 -10.763 -12.814 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.619 -12.647 -11.198 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.175 -11.786 -11.257 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.058 -11.513 -9.899 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.482 -11.387 -11.556 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.939 -10.264 -10.254 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.526 -9.635 -11.866 1.00 0.00 H new ATOM 834 N SER A 67 9.342 -7.142 -11.321 1.00 0.00 N ATOM 835 CA SER A 67 9.808 -5.789 -11.619 1.00 0.00 C ATOM 836 C SER A 67 11.147 -5.870 -12.314 1.00 0.00 C ATOM 837 O SER A 67 11.587 -4.931 -12.948 1.00 0.00 O ATOM 838 CB SER A 67 9.944 -5.019 -10.301 1.00 0.00 C ATOM 839 OG SER A 67 11.095 -5.578 -9.689 1.00 0.00 O ATOM 0 H SER A 67 9.233 -7.368 -10.332 1.00 0.00 H new ATOM 0 HA SER A 67 9.101 -5.275 -12.270 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.065 -3.950 -10.475 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.060 -5.142 -9.675 1.00 0.00 H new ATOM 0 HG SER A 67 11.129 -6.540 -9.873 1.00 0.00 H new ATOM 845 N GLN A 68 11.777 -7.004 -12.178 1.00 0.00 N ATOM 846 CA GLN A 68 13.089 -7.185 -12.823 1.00 0.00 C ATOM 847 C GLN A 68 12.860 -7.497 -14.271 1.00 0.00 C ATOM 848 O GLN A 68 13.574 -7.030 -15.133 1.00 0.00 O ATOM 849 CB GLN A 68 13.820 -8.362 -12.158 1.00 0.00 C ATOM 850 CG GLN A 68 14.410 -7.889 -10.832 1.00 0.00 C ATOM 851 CD GLN A 68 15.653 -7.041 -11.104 1.00 0.00 C ATOM 852 OE1 GLN A 68 16.726 -7.551 -11.358 1.00 0.00 O ATOM 853 NE2 GLN A 68 15.552 -5.742 -11.059 1.00 0.00 N ATOM 0 H GLN A 68 11.434 -7.805 -11.648 1.00 0.00 H new ATOM 0 HA GLN A 68 13.691 -6.282 -12.722 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.130 -9.189 -11.990 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.610 -8.733 -12.811 1.00 0.00 H new ATOM 0 HG2 GLN A 68 13.672 -7.307 -10.280 1.00 0.00 H new ATOM 0 HG3 GLN A 68 14.670 -8.746 -10.210 1.00 0.00 H new ATOM 0 HE21 GLN A 68 14.654 -5.307 -10.846 1.00 0.00 H new ATOM 0 HE22 GLN A 68 16.371 -5.160 -11.237 1.00 0.00 H new ATOM 862 N GLN A 69 11.852 -8.285 -14.526 1.00 0.00 N ATOM 863 CA GLN A 69 11.568 -8.628 -15.917 1.00 0.00 C ATOM 864 C GLN A 69 11.461 -7.347 -16.714 1.00 0.00 C ATOM 865 O GLN A 69 11.886 -7.282 -17.851 1.00 0.00 O ATOM 866 CB GLN A 69 10.235 -9.384 -15.984 1.00 0.00 C ATOM 867 CG GLN A 69 10.512 -10.867 -16.221 1.00 0.00 C ATOM 868 CD GLN A 69 11.184 -11.048 -17.582 1.00 0.00 C ATOM 869 OE1 GLN A 69 11.343 -10.111 -18.339 1.00 0.00 O ATOM 870 NE2 GLN A 69 11.590 -12.238 -17.932 1.00 0.00 N ATOM 0 H GLN A 69 11.228 -8.694 -13.830 1.00 0.00 H new ATOM 0 HA GLN A 69 12.362 -9.255 -16.323 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.679 -9.249 -15.056 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.616 -8.984 -16.787 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.153 -11.259 -15.432 1.00 0.00 H new ATOM 0 HG3 GLN A 69 9.581 -11.432 -16.185 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.459 -13.028 -17.300 1.00 0.00 H new ATOM 0 HE22 GLN A 69 12.038 -12.378 -18.837 1.00 0.00 H new ATOM 879 N ILE A 70 10.882 -6.330 -16.097 1.00 0.00 N ATOM 880 CA ILE A 70 10.745 -5.037 -16.816 1.00 0.00 C ATOM 881 C ILE A 70 12.045 -4.708 -17.529 1.00 0.00 C ATOM 882 O ILE A 70 12.053 -4.081 -18.569 1.00 0.00 O ATOM 883 CB ILE A 70 10.483 -3.920 -15.801 1.00 0.00 C ATOM 884 CG1 ILE A 70 9.223 -4.205 -15.000 1.00 0.00 C ATOM 885 CG2 ILE A 70 10.285 -2.603 -16.575 1.00 0.00 C ATOM 886 CD1 ILE A 70 9.033 -3.084 -13.971 1.00 0.00 C ATOM 0 H ILE A 70 10.510 -6.350 -15.147 1.00 0.00 H new ATOM 0 HA ILE A 70 9.925 -5.117 -17.530 1.00 0.00 H new ATOM 0 HB ILE A 70 11.328 -3.854 -15.116 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.359 -4.261 -15.662 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.304 -5.169 -14.498 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.097 -1.792 -15.871 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.183 -2.382 -17.152 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.435 -2.702 -17.250 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.132 -3.274 -13.388 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.896 -3.051 -13.306 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.936 -2.129 -14.487 1.00 0.00 H new ATOM 898 N ASN A 71 13.126 -5.143 -16.942 1.00 0.00 N ATOM 899 CA ASN A 71 14.446 -4.880 -17.548 1.00 0.00 C ATOM 900 C ASN A 71 14.426 -5.147 -19.042 1.00 0.00 C ATOM 901 O ASN A 71 15.309 -4.723 -19.761 1.00 0.00 O ATOM 902 CB ASN A 71 15.472 -5.805 -16.880 1.00 0.00 C ATOM 903 CG ASN A 71 16.798 -5.719 -17.637 1.00 0.00 C ATOM 904 OD1 ASN A 71 16.991 -6.497 -18.668 1.00 0.00 O flip ATOM 905 ND2 ASN A 71 17.669 -4.942 -17.299 1.00 0.00 N flip ATOM 0 H ASN A 71 13.144 -5.669 -16.068 1.00 0.00 H new ATOM 0 HA ASN A 71 14.707 -3.833 -17.396 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.615 -5.517 -15.839 1.00 0.00 H new ATOM 0 HB3 ASN A 71 15.107 -6.832 -16.879 1.00 0.00 H new ATOM 0 HD21 ASN A 71 17.524 -4.332 -16.495 1.00 0.00 H new ATOM 0 HD22 ASN A 71 18.545 -4.900 -17.820 1.00 0.00 H new ATOM 912 N MET A 72 13.425 -5.843 -19.485 1.00 0.00 N ATOM 913 CA MET A 72 13.340 -6.140 -20.929 1.00 0.00 C ATOM 914 C MET A 72 13.232 -4.847 -21.721 1.00 0.00 C ATOM 915 O MET A 72 13.049 -4.864 -22.922 1.00 0.00 O ATOM 916 CB MET A 72 12.079 -6.976 -21.178 1.00 0.00 C ATOM 917 CG MET A 72 12.478 -8.440 -21.344 1.00 0.00 C ATOM 918 SD MET A 72 11.186 -9.682 -21.113 1.00 0.00 S ATOM 919 CE MET A 72 11.359 -10.489 -22.722 1.00 0.00 C ATOM 0 H MET A 72 12.668 -6.216 -18.912 1.00 0.00 H new ATOM 0 HA MET A 72 14.233 -6.681 -21.243 1.00 0.00 H new ATOM 0 HB2 MET A 72 11.385 -6.867 -20.345 1.00 0.00 H new ATOM 0 HB3 MET A 72 11.563 -6.623 -22.071 1.00 0.00 H new ATOM 0 HG2 MET A 72 12.892 -8.566 -22.345 1.00 0.00 H new ATOM 0 HG3 MET A 72 13.281 -8.653 -20.638 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.641 -11.306 -22.799 1.00 0.00 H new ATOM 0 HE2 MET A 72 11.171 -9.765 -23.514 1.00 0.00 H new ATOM 0 HE3 MET A 72 12.370 -10.884 -22.824 1.00 0.00 H new ATOM 929 N ASN A 73 13.349 -3.743 -21.031 1.00 0.00 N ATOM 930 CA ASN A 73 13.256 -2.441 -21.728 1.00 0.00 C ATOM 931 C ASN A 73 14.091 -1.368 -21.028 1.00 0.00 C ATOM 932 O ASN A 73 15.057 -0.878 -21.579 1.00 0.00 O ATOM 933 CB ASN A 73 11.783 -2.002 -21.726 1.00 0.00 C ATOM 934 CG ASN A 73 11.596 -0.847 -22.711 1.00 0.00 C ATOM 935 OD1 ASN A 73 12.094 0.322 -22.418 1.00 0.00 O flip ATOM 936 ND2 ASN A 73 10.996 -1.000 -23.757 1.00 0.00 N flip ATOM 0 H ASN A 73 13.503 -3.693 -20.024 1.00 0.00 H new ATOM 0 HA ASN A 73 13.637 -2.558 -22.742 1.00 0.00 H new ATOM 0 HB2 ASN A 73 11.142 -2.839 -22.004 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.486 -1.692 -20.724 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.604 -1.912 -23.992 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.884 -0.216 -24.400 1.00 0.00 H new ATOM 943 N LEU A 74 13.704 -1.024 -19.825 1.00 0.00 N ATOM 944 CA LEU A 74 14.463 0.013 -19.079 1.00 0.00 C ATOM 945 C LEU A 74 15.465 -0.617 -18.122 1.00 0.00 C ATOM 946 O LEU A 74 16.618 -0.800 -18.458 1.00 0.00 O ATOM 947 CB LEU A 74 13.462 0.846 -18.261 1.00 0.00 C ATOM 948 CG LEU A 74 12.547 1.610 -19.219 1.00 0.00 C ATOM 949 CD1 LEU A 74 11.485 2.362 -18.415 1.00 0.00 C ATOM 950 CD2 LEU A 74 13.379 2.616 -20.012 1.00 0.00 C ATOM 0 H LEU A 74 12.900 -1.416 -19.334 1.00 0.00 H new ATOM 0 HA LEU A 74 15.008 0.631 -19.793 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.872 0.196 -17.615 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.994 1.543 -17.613 1.00 0.00 H new ATOM 0 HG LEU A 74 12.064 0.910 -19.900 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.832 2.907 -19.096 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.895 1.651 -17.837 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.971 3.065 -17.738 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.732 3.164 -20.697 1.00 0.00 H new ATOM 0 HD22 LEU A 74 13.856 3.316 -19.325 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.144 2.087 -20.580 1.00 0.00 H new ATOM 962 N GLY A 75 15.002 -0.937 -16.941 1.00 0.00 N ATOM 963 CA GLY A 75 15.915 -1.559 -15.935 1.00 0.00 C ATOM 964 C GLY A 75 15.609 -1.037 -14.525 1.00 0.00 C ATOM 965 O GLY A 75 16.320 -0.199 -14.004 1.00 0.00 O ATOM 0 H GLY A 75 14.040 -0.796 -16.631 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.804 -2.643 -15.958 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.951 -1.339 -16.192 1.00 0.00 H new ATOM 969 N GLY A 76 14.554 -1.542 -13.935 1.00 0.00 N ATOM 970 CA GLY A 76 14.193 -1.085 -12.562 1.00 0.00 C ATOM 971 C GLY A 76 13.476 0.271 -12.607 1.00 0.00 C ATOM 972 O GLY A 76 13.665 1.102 -11.743 1.00 0.00 O ATOM 0 H GLY A 76 13.934 -2.243 -14.341 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.550 -1.825 -12.085 1.00 0.00 H new ATOM 0 HA3 GLY A 76 15.093 -1.005 -11.953 1.00 0.00 H new ATOM 976 N HIS A 77 12.672 0.463 -13.615 1.00 0.00 N ATOM 977 CA HIS A 77 11.938 1.751 -13.732 1.00 0.00 C ATOM 978 C HIS A 77 10.608 1.532 -14.442 1.00 0.00 C ATOM 979 O HIS A 77 10.563 0.911 -15.482 1.00 0.00 O ATOM 980 CB HIS A 77 12.793 2.728 -14.553 1.00 0.00 C ATOM 981 CG HIS A 77 13.366 3.796 -13.619 1.00 0.00 C ATOM 982 ND1 HIS A 77 12.706 4.720 -13.101 1.00 0.00 N ATOM 983 CD2 HIS A 77 14.661 3.969 -13.164 1.00 0.00 C ATOM 984 CE1 HIS A 77 13.432 5.459 -12.369 1.00 0.00 C ATOM 985 NE2 HIS A 77 14.703 5.056 -12.345 1.00 0.00 N ATOM 0 H HIS A 77 12.493 -0.212 -14.358 1.00 0.00 H new ATOM 0 HA HIS A 77 11.747 2.154 -12.738 1.00 0.00 H new ATOM 0 HB2 HIS A 77 13.600 2.193 -15.053 1.00 0.00 H new ATOM 0 HB3 HIS A 77 12.189 3.194 -15.332 1.00 0.00 H new ATOM 0 HD2 HIS A 77 15.503 3.343 -13.418 1.00 0.00 H new ATOM 0 HE1 HIS A 77 13.063 6.317 -11.827 1.00 0.00 H new ATOM 0 HE2 HIS A 77 15.497 5.456 -11.845 1.00 0.00 H new ATOM 993 N VAL A 78 9.542 2.040 -13.863 1.00 0.00 N ATOM 994 CA VAL A 78 8.217 1.862 -14.500 1.00 0.00 C ATOM 995 C VAL A 78 7.340 3.101 -14.389 1.00 0.00 C ATOM 996 O VAL A 78 7.420 3.853 -13.437 1.00 0.00 O ATOM 997 CB VAL A 78 7.504 0.690 -13.774 1.00 0.00 C ATOM 998 CG1 VAL A 78 8.415 0.146 -12.700 1.00 0.00 C ATOM 999 CG2 VAL A 78 6.206 1.176 -13.101 1.00 0.00 C ATOM 0 H VAL A 78 9.542 2.563 -12.987 1.00 0.00 H new ATOM 0 HA VAL A 78 8.371 1.666 -15.561 1.00 0.00 H new ATOM 0 HB VAL A 78 7.266 -0.078 -14.510 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.920 -0.678 -12.186 1.00 0.00 H new ATOM 0 HG12 VAL A 78 9.339 -0.212 -13.154 1.00 0.00 H new ATOM 0 HG13 VAL A 78 8.645 0.935 -11.984 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.722 0.339 -12.598 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.442 1.951 -12.371 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.534 1.583 -13.857 1.00 0.00 H new ATOM 1009 N ASP A 79 6.515 3.269 -15.383 1.00 0.00 N ATOM 1010 CA ASP A 79 5.596 4.419 -15.413 1.00 0.00 C ATOM 1011 C ASP A 79 4.214 3.887 -15.119 1.00 0.00 C ATOM 1012 O ASP A 79 3.996 2.697 -15.228 1.00 0.00 O ATOM 1013 CB ASP A 79 5.614 5.040 -16.819 1.00 0.00 C ATOM 1014 CG ASP A 79 5.687 3.926 -17.865 1.00 0.00 C ATOM 1015 OD1 ASP A 79 5.429 2.800 -17.475 1.00 0.00 O ATOM 1016 OD2 ASP A 79 5.996 4.265 -18.995 1.00 0.00 O ATOM 0 H ASP A 79 6.444 2.643 -16.185 1.00 0.00 H new ATOM 0 HA ASP A 79 5.887 5.177 -14.686 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.719 5.642 -16.974 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.469 5.708 -16.923 1.00 0.00 H new ATOM 1021 N PHE A 80 3.303 4.730 -14.733 1.00 0.00 N ATOM 1022 CA PHE A 80 1.957 4.196 -14.448 1.00 0.00 C ATOM 1023 C PHE A 80 1.501 3.252 -15.558 1.00 0.00 C ATOM 1024 O PHE A 80 0.566 2.495 -15.390 1.00 0.00 O ATOM 1025 CB PHE A 80 0.947 5.336 -14.323 1.00 0.00 C ATOM 1026 CG PHE A 80 -0.303 4.759 -13.665 1.00 0.00 C ATOM 1027 CD1 PHE A 80 -0.226 4.192 -12.402 1.00 0.00 C ATOM 1028 CD2 PHE A 80 -1.507 4.725 -14.343 1.00 0.00 C ATOM 1029 CE1 PHE A 80 -1.329 3.597 -11.834 1.00 0.00 C ATOM 1030 CE2 PHE A 80 -2.612 4.130 -13.771 1.00 0.00 C ATOM 1031 CZ PHE A 80 -2.523 3.566 -12.519 1.00 0.00 C ATOM 0 H PHE A 80 3.429 5.734 -14.607 1.00 0.00 H new ATOM 0 HA PHE A 80 2.010 3.647 -13.508 1.00 0.00 H new ATOM 0 HB2 PHE A 80 1.357 6.149 -13.724 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.710 5.750 -15.303 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.708 4.218 -11.860 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.583 5.167 -15.326 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.258 3.155 -10.851 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.549 4.107 -14.307 1.00 0.00 H new ATOM 0 HZ PHE A 80 -3.389 3.099 -12.074 1.00 0.00 H new ATOM 1041 N ASP A 81 2.180 3.311 -16.674 1.00 0.00 N ATOM 1042 CA ASP A 81 1.804 2.428 -17.800 1.00 0.00 C ATOM 1043 C ASP A 81 2.395 1.036 -17.603 1.00 0.00 C ATOM 1044 O ASP A 81 1.697 0.048 -17.711 1.00 0.00 O ATOM 1045 CB ASP A 81 2.358 3.029 -19.102 1.00 0.00 C ATOM 1046 CG ASP A 81 2.219 4.552 -19.057 1.00 0.00 C ATOM 1047 OD1 ASP A 81 1.174 5.014 -19.486 1.00 0.00 O ATOM 1048 OD2 ASP A 81 3.166 5.169 -18.596 1.00 0.00 O ATOM 0 H ASP A 81 2.972 3.930 -16.847 1.00 0.00 H new ATOM 0 HA ASP A 81 0.718 2.347 -17.847 1.00 0.00 H new ATOM 0 HB2 ASP A 81 3.405 2.752 -19.227 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.817 2.628 -19.960 1.00 0.00 H new ATOM 1053 N ASP A 82 3.675 0.975 -17.314 1.00 0.00 N ATOM 1054 CA ASP A 82 4.299 -0.347 -17.110 1.00 0.00 C ATOM 1055 C ASP A 82 3.788 -0.929 -15.810 1.00 0.00 C ATOM 1056 O ASP A 82 3.646 -2.125 -15.664 1.00 0.00 O ATOM 1057 CB ASP A 82 5.818 -0.154 -17.028 1.00 0.00 C ATOM 1058 CG ASP A 82 6.496 -1.518 -16.908 1.00 0.00 C ATOM 1059 OD1 ASP A 82 5.894 -2.467 -17.383 1.00 0.00 O ATOM 1060 OD2 ASP A 82 7.580 -1.535 -16.351 1.00 0.00 O ATOM 0 H ASP A 82 4.296 1.778 -17.214 1.00 0.00 H new ATOM 0 HA ASP A 82 4.055 -1.022 -17.930 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.178 0.367 -17.915 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.071 0.467 -16.169 1.00 0.00 H new ATOM 1065 N PHE A 83 3.518 -0.050 -14.889 1.00 0.00 N ATOM 1066 CA PHE A 83 3.007 -0.476 -13.570 1.00 0.00 C ATOM 1067 C PHE A 83 1.696 -1.215 -13.774 1.00 0.00 C ATOM 1068 O PHE A 83 1.486 -2.300 -13.248 1.00 0.00 O ATOM 1069 CB PHE A 83 2.773 0.816 -12.774 1.00 0.00 C ATOM 1070 CG PHE A 83 2.045 0.569 -11.447 1.00 0.00 C ATOM 1071 CD1 PHE A 83 2.744 0.153 -10.323 1.00 0.00 C ATOM 1072 CD2 PHE A 83 0.710 0.911 -11.314 1.00 0.00 C ATOM 1073 CE1 PHE A 83 2.114 0.098 -9.090 1.00 0.00 C ATOM 1074 CE2 PHE A 83 0.091 0.854 -10.082 1.00 0.00 C ATOM 1075 CZ PHE A 83 0.790 0.452 -8.975 1.00 0.00 C ATOM 0 H PHE A 83 3.633 0.957 -15.000 1.00 0.00 H new ATOM 0 HA PHE A 83 3.696 -1.138 -13.046 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.732 1.294 -12.574 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.191 1.511 -13.379 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.783 -0.129 -10.409 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.149 1.225 -12.182 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.664 -0.223 -8.218 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.950 1.128 -9.990 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.302 0.413 -8.012 1.00 0.00 H new ATOM 1085 N VAL A 84 0.838 -0.619 -14.559 1.00 0.00 N ATOM 1086 CA VAL A 84 -0.461 -1.256 -14.823 1.00 0.00 C ATOM 1087 C VAL A 84 -0.240 -2.558 -15.582 1.00 0.00 C ATOM 1088 O VAL A 84 -0.884 -3.555 -15.320 1.00 0.00 O ATOM 1089 CB VAL A 84 -1.307 -0.287 -15.682 1.00 0.00 C ATOM 1090 CG1 VAL A 84 -2.193 -1.085 -16.641 1.00 0.00 C ATOM 1091 CG2 VAL A 84 -2.198 0.559 -14.768 1.00 0.00 C ATOM 0 H VAL A 84 0.990 0.277 -15.022 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.976 -1.475 -13.888 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.640 0.360 -16.253 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.787 -0.398 -17.244 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.567 -1.693 -17.294 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.857 -1.733 -16.069 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.795 1.242 -15.372 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.860 -0.094 -14.199 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.575 1.132 -14.081 1.00 0.00 H new ATOM 1101 N GLU A 85 0.680 -2.527 -16.513 1.00 0.00 N ATOM 1102 CA GLU A 85 0.955 -3.750 -17.294 1.00 0.00 C ATOM 1103 C GLU A 85 1.680 -4.770 -16.430 1.00 0.00 C ATOM 1104 O GLU A 85 1.726 -5.935 -16.755 1.00 0.00 O ATOM 1105 CB GLU A 85 1.842 -3.391 -18.493 1.00 0.00 C ATOM 1106 CG GLU A 85 1.706 -4.484 -19.555 1.00 0.00 C ATOM 1107 CD GLU A 85 0.369 -4.321 -20.281 1.00 0.00 C ATOM 1108 OE1 GLU A 85 -0.065 -3.184 -20.367 1.00 0.00 O ATOM 1109 OE2 GLU A 85 -0.143 -5.343 -20.708 1.00 0.00 O ATOM 0 H GLU A 85 1.243 -1.712 -16.758 1.00 0.00 H new ATOM 0 HA GLU A 85 0.012 -4.175 -17.636 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.546 -2.426 -18.905 1.00 0.00 H new ATOM 0 HB3 GLU A 85 2.882 -3.298 -18.178 1.00 0.00 H new ATOM 0 HG2 GLU A 85 2.529 -4.420 -20.266 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.763 -5.468 -19.090 1.00 0.00 H new ATOM 1116 N LEU A 86 2.247 -4.310 -15.344 1.00 0.00 N ATOM 1117 CA LEU A 86 2.965 -5.251 -14.458 1.00 0.00 C ATOM 1118 C LEU A 86 1.956 -6.148 -13.774 1.00 0.00 C ATOM 1119 O LEU A 86 2.180 -7.330 -13.604 1.00 0.00 O ATOM 1120 CB LEU A 86 3.736 -4.447 -13.391 1.00 0.00 C ATOM 1121 CG LEU A 86 4.954 -5.256 -12.907 1.00 0.00 C ATOM 1122 CD1 LEU A 86 4.471 -6.551 -12.221 1.00 0.00 C ATOM 1123 CD2 LEU A 86 5.860 -5.593 -14.110 1.00 0.00 C ATOM 0 H LEU A 86 2.240 -3.336 -15.042 1.00 0.00 H new ATOM 0 HA LEU A 86 3.662 -5.854 -15.040 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.063 -3.494 -13.807 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.081 -4.220 -12.550 1.00 0.00 H new ATOM 0 HG LEU A 86 5.525 -4.667 -12.189 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.332 -7.124 -11.878 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.841 -6.298 -11.368 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.898 -7.147 -12.931 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.722 -6.165 -13.767 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.298 -6.182 -14.835 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.201 -4.670 -14.579 1.00 0.00 H new ATOM 1135 N MET A 87 0.848 -5.569 -13.393 1.00 0.00 N ATOM 1136 CA MET A 87 -0.188 -6.383 -12.720 1.00 0.00 C ATOM 1137 C MET A 87 -1.016 -7.149 -13.751 1.00 0.00 C ATOM 1138 O MET A 87 -1.648 -8.134 -13.434 1.00 0.00 O ATOM 1139 CB MET A 87 -1.114 -5.449 -11.928 1.00 0.00 C ATOM 1140 CG MET A 87 -1.645 -6.202 -10.709 1.00 0.00 C ATOM 1141 SD MET A 87 -2.605 -5.262 -9.500 1.00 0.00 S ATOM 1142 CE MET A 87 -2.669 -6.544 -8.224 1.00 0.00 C ATOM 0 H MET A 87 0.623 -4.582 -13.519 1.00 0.00 H new ATOM 0 HA MET A 87 0.295 -7.097 -12.053 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.572 -4.557 -11.614 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.941 -5.116 -12.555 1.00 0.00 H new ATOM 0 HG2 MET A 87 -2.266 -7.024 -11.066 1.00 0.00 H new ATOM 0 HG3 MET A 87 -0.795 -6.646 -10.191 1.00 0.00 H new ATOM 0 HE1 MET A 87 -3.514 -6.356 -7.561 1.00 0.00 H new ATOM 0 HE2 MET A 87 -2.788 -7.520 -8.694 1.00 0.00 H new ATOM 0 HE3 MET A 87 -1.744 -6.529 -7.647 1.00 0.00 H new ATOM 1152 N GLY A 88 -0.992 -6.678 -14.971 1.00 0.00 N ATOM 1153 CA GLY A 88 -1.773 -7.365 -16.044 1.00 0.00 C ATOM 1154 C GLY A 88 -1.621 -8.892 -15.943 1.00 0.00 C ATOM 1155 O GLY A 88 -2.589 -9.606 -15.779 1.00 0.00 O ATOM 0 H GLY A 88 -0.470 -5.854 -15.270 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.826 -7.094 -15.963 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.431 -7.026 -17.022 1.00 0.00 H new ATOM 1159 N PRO A 89 -0.392 -9.348 -16.077 1.00 0.00 N ATOM 1160 CA PRO A 89 -0.077 -10.780 -16.005 1.00 0.00 C ATOM 1161 C PRO A 89 -0.450 -11.377 -14.638 1.00 0.00 C ATOM 1162 O PRO A 89 0.209 -12.270 -14.141 1.00 0.00 O ATOM 1163 CB PRO A 89 1.455 -10.857 -16.221 1.00 0.00 C ATOM 1164 CG PRO A 89 1.965 -9.402 -16.452 1.00 0.00 C ATOM 1165 CD PRO A 89 0.748 -8.465 -16.338 1.00 0.00 C ATOM 0 HA PRO A 89 -0.639 -11.348 -16.746 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.943 -11.302 -15.354 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.691 -11.487 -17.078 1.00 0.00 H new ATOM 0 HG2 PRO A 89 2.723 -9.139 -15.714 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.430 -9.309 -17.433 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.880 -7.744 -15.532 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.603 -7.895 -17.255 1.00 0.00 H new ATOM 1173 N LYS A 90 -1.507 -10.873 -14.068 1.00 0.00 N ATOM 1174 CA LYS A 90 -1.955 -11.380 -12.747 1.00 0.00 C ATOM 1175 C LYS A 90 -3.478 -11.420 -12.696 1.00 0.00 C ATOM 1176 O LYS A 90 -4.062 -11.940 -11.766 1.00 0.00 O ATOM 1177 CB LYS A 90 -1.447 -10.413 -11.662 1.00 0.00 C ATOM 1178 CG LYS A 90 -1.437 -11.124 -10.304 1.00 0.00 C ATOM 1179 CD LYS A 90 -0.291 -12.141 -10.270 1.00 0.00 C ATOM 1180 CE LYS A 90 0.693 -11.754 -9.161 1.00 0.00 C ATOM 1181 NZ LYS A 90 1.968 -12.510 -9.310 1.00 0.00 N ATOM 0 H LYS A 90 -2.081 -10.128 -14.464 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.564 -12.385 -12.585 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.444 -10.067 -11.910 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.087 -9.532 -11.618 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.316 -10.397 -9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.389 -11.627 -10.138 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.683 -13.142 -10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.219 -12.165 -11.233 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.891 -10.683 -9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.252 -11.961 -8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.624 -12.237 -8.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.776 -13.530 -9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.395 -12.292 -10.233 1.00 0.00 H new ATOM 1195 N LEU A 91 -4.088 -10.867 -13.709 1.00 0.00 N ATOM 1196 CA LEU A 91 -5.569 -10.852 -13.757 1.00 0.00 C ATOM 1197 C LEU A 91 -6.122 -12.269 -13.865 1.00 0.00 C ATOM 1198 O LEU A 91 -6.788 -12.775 -12.984 1.00 0.00 O ATOM 1199 CB LEU A 91 -6.002 -10.054 -15.001 1.00 0.00 C ATOM 1200 CG LEU A 91 -6.155 -8.575 -14.630 1.00 0.00 C ATOM 1201 CD1 LEU A 91 -4.945 -8.130 -13.806 1.00 0.00 C ATOM 1202 CD2 LEU A 91 -6.224 -7.740 -15.912 1.00 0.00 C ATOM 0 H LEU A 91 -3.622 -10.427 -14.502 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.953 -10.397 -12.844 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.263 -10.167 -15.794 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -6.945 -10.443 -15.386 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.066 -8.436 -14.048 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.052 -7.078 -13.541 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.884 -8.729 -12.897 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.036 -8.266 -14.392 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.333 -6.686 -15.655 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.309 -7.880 -16.487 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.079 -8.058 -16.508 1.00 0.00 H new