USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 826 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 25 THR OG1 : rot -15:sc= 0.984 USER MOD Set 1.2: A 37 ASN : amide:sc= -1.67 K(o=-0.69,f=-4.3!) USER MOD Single : A 4 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0234) USER MOD Single : A 7 THR OG1 : rot -21:sc= 0.592 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0997 USER MOD Single : A 17 GLN : amide:sc= -1.22 K(o=-1.2,f=-4.6!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.228 F(o=-1.3,f=-0.23) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 CYS SG : rot 51:sc= 0.00548 USER MOD Single : A 41 SER OG : rot -140:sc= -0.553 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0258 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot -40:sc= 1.14 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 118:sc= 1.22 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0823 USER MOD Single : A 74 THR OG1 : rot 65:sc= 0.26 USER MOD Single : A 75 ASN : amide:sc= -2.6 K(o=-2.6,f=-11!) USER MOD Single : A 76 MET CE :methyl 149:sc= -4.61 (180deg=-5.95!) USER MOD Single : A 84 SER OG : rot -74:sc= -0.276 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 30:sc= -0.767 USER MOD Single : A 98 ASN :FLIP amide:sc= -0.391 F(o=-2.1,f=-0.39) USER MOD Single : A 100 SER OG : rot 180:sc= 0.256 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -132:sc= -1.33 (180deg=-6.25!) USER MOD Single : A 104 TYR OH : rot 156:sc= 0.0206 USER MOD Single : A 105 CYS SG : rot 180:sc= -0.0439 USER MOD Single : A 106 SER OG : rot -140:sc= 0.0394 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N ILE A 3 18.349 5.780 -7.238 1.00 0.00 N ATOM 26 CA ILE A 3 18.320 5.506 -8.669 1.00 0.00 C ATOM 27 C ILE A 3 19.481 4.608 -9.081 1.00 0.00 C ATOM 28 O ILE A 3 20.645 5.001 -8.996 1.00 0.00 O ATOM 29 CB ILE A 3 18.373 6.807 -9.492 1.00 0.00 C ATOM 30 CG1 ILE A 3 17.104 7.631 -9.268 1.00 0.00 C ATOM 31 CG2 ILE A 3 18.552 6.491 -10.970 1.00 0.00 C ATOM 32 CD1 ILE A 3 16.990 8.827 -10.187 1.00 0.00 C ATOM 0 HA ILE A 3 17.379 4.995 -8.874 1.00 0.00 H new ATOM 0 HB ILE A 3 19.228 7.395 -9.159 1.00 0.00 H new ATOM 0 HG12 ILE A 3 16.234 6.990 -9.410 1.00 0.00 H new ATOM 0 HG13 ILE A 3 17.081 7.974 -8.234 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.588 7.420 -11.539 1.00 0.00 H new ATOM 0 HG22 ILE A 3 19.482 5.941 -11.114 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.715 5.885 -11.317 1.00 0.00 H new ATOM 0 HD11 ILE A 3 16.066 9.364 -9.972 1.00 0.00 H new ATOM 0 HD12 ILE A 3 17.841 9.490 -10.029 1.00 0.00 H new ATOM 0 HD13 ILE A 3 16.981 8.490 -11.223 1.00 0.00 H new ATOM 44 N LYS A 4 19.157 3.401 -9.531 1.00 0.00 N ATOM 45 CA LYS A 4 20.172 2.446 -9.961 1.00 0.00 C ATOM 46 C LYS A 4 21.365 2.455 -9.010 1.00 0.00 C ATOM 47 O LYS A 4 21.236 2.815 -7.841 1.00 0.00 O ATOM 48 CB LYS A 4 20.637 2.770 -11.382 1.00 0.00 C ATOM 49 CG LYS A 4 20.821 1.542 -12.257 1.00 0.00 C ATOM 50 CD LYS A 4 22.172 1.550 -12.952 1.00 0.00 C ATOM 51 CE LYS A 4 22.148 0.722 -14.228 1.00 0.00 C ATOM 52 NZ LYS A 4 21.782 -0.697 -13.961 1.00 0.00 N ATOM 0 H LYS A 4 18.199 3.060 -9.608 1.00 0.00 H new ATOM 0 HA LYS A 4 19.727 1.451 -9.949 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.910 3.434 -11.850 1.00 0.00 H new ATOM 0 HB3 LYS A 4 21.580 3.314 -11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.730 0.643 -11.648 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.027 1.503 -13.003 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.455 2.576 -13.188 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.932 1.157 -12.277 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.435 1.155 -14.929 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.127 0.761 -14.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 21.875 -1.250 -14.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.416 -1.088 -13.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.799 -0.745 -13.624 1.00 0.00 H new ATOM 66 N GLY A 5 22.526 2.058 -9.521 1.00 0.00 N ATOM 67 CA GLY A 5 23.725 2.030 -8.703 1.00 0.00 C ATOM 68 C GLY A 5 24.570 3.277 -8.869 1.00 0.00 C ATOM 69 O GLY A 5 25.477 3.315 -9.701 1.00 0.00 O ATOM 0 H GLY A 5 22.658 1.755 -10.486 1.00 0.00 H new ATOM 0 HA2 GLY A 5 23.444 1.922 -7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 5 24.319 1.155 -8.965 1.00 0.00 H new ATOM 73 N VAL A 6 24.272 4.302 -8.077 1.00 0.00 N ATOM 74 CA VAL A 6 25.010 5.558 -8.141 1.00 0.00 C ATOM 75 C VAL A 6 24.993 6.135 -9.552 1.00 0.00 C ATOM 76 O VAL A 6 26.025 6.202 -10.220 1.00 0.00 O ATOM 77 CB VAL A 6 26.472 5.372 -7.692 1.00 0.00 C ATOM 78 CG1 VAL A 6 27.208 6.704 -7.705 1.00 0.00 C ATOM 79 CG2 VAL A 6 26.528 4.736 -6.311 1.00 0.00 C ATOM 0 H VAL A 6 23.524 4.287 -7.383 1.00 0.00 H new ATOM 0 HA VAL A 6 24.514 6.252 -7.462 1.00 0.00 H new ATOM 0 HB VAL A 6 26.968 4.703 -8.395 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.239 6.553 -7.385 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.198 7.116 -8.714 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.715 7.399 -7.025 1.00 0.00 H new ATOM 0 HG21 VAL A 6 27.568 4.612 -6.009 1.00 0.00 H new ATOM 0 HG22 VAL A 6 26.016 5.378 -5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 6 26.040 3.762 -6.339 1.00 0.00 H new ATOM 89 N THR A 7 23.813 6.551 -10.000 1.00 0.00 N ATOM 90 CA THR A 7 23.660 7.123 -11.332 1.00 0.00 C ATOM 91 C THR A 7 22.371 7.930 -11.439 1.00 0.00 C ATOM 92 O THR A 7 21.384 7.635 -10.766 1.00 0.00 O ATOM 93 CB THR A 7 23.657 6.028 -12.416 1.00 0.00 C ATOM 94 OG1 THR A 7 24.801 5.181 -12.259 1.00 0.00 O ATOM 95 CG2 THR A 7 23.664 6.644 -13.807 1.00 0.00 C ATOM 0 H THR A 7 22.949 6.503 -9.460 1.00 0.00 H new ATOM 0 HA THR A 7 24.513 7.782 -11.493 1.00 0.00 H new ATOM 0 HB THR A 7 22.748 5.437 -12.302 1.00 0.00 H new ATOM 0 HG1 THR A 7 25.492 5.655 -11.751 1.00 0.00 H new ATOM 0 HG21 THR A 7 23.662 5.852 -14.556 1.00 0.00 H new ATOM 0 HG22 THR A 7 22.778 7.266 -13.934 1.00 0.00 H new ATOM 0 HG23 THR A 7 24.557 7.256 -13.929 1.00 0.00 H new ATOM 103 N PHE A 8 22.387 8.951 -12.290 1.00 0.00 N ATOM 104 CA PHE A 8 21.219 9.802 -12.486 1.00 0.00 C ATOM 105 C PHE A 8 21.333 10.593 -13.785 1.00 0.00 C ATOM 106 O PHE A 8 22.426 10.984 -14.193 1.00 0.00 O ATOM 107 CB PHE A 8 21.057 10.761 -11.304 1.00 0.00 C ATOM 108 CG PHE A 8 22.208 11.712 -11.143 1.00 0.00 C ATOM 109 CD1 PHE A 8 23.410 11.281 -10.605 1.00 0.00 C ATOM 110 CD2 PHE A 8 22.089 13.037 -11.529 1.00 0.00 C ATOM 111 CE1 PHE A 8 24.471 12.155 -10.454 1.00 0.00 C ATOM 112 CE2 PHE A 8 23.146 13.915 -11.382 1.00 0.00 C ATOM 113 CZ PHE A 8 24.339 13.473 -10.844 1.00 0.00 C ATOM 0 H PHE A 8 23.196 9.209 -12.855 1.00 0.00 H new ATOM 0 HA PHE A 8 20.340 9.161 -12.549 1.00 0.00 H new ATOM 0 HB2 PHE A 8 20.138 11.333 -11.434 1.00 0.00 H new ATOM 0 HB3 PHE A 8 20.944 10.181 -10.388 1.00 0.00 H new ATOM 0 HD1 PHE A 8 23.520 10.251 -10.300 1.00 0.00 H new ATOM 0 HD2 PHE A 8 21.159 13.388 -11.950 1.00 0.00 H new ATOM 0 HE1 PHE A 8 25.402 11.807 -10.031 1.00 0.00 H new ATOM 0 HE2 PHE A 8 23.039 14.945 -11.687 1.00 0.00 H new ATOM 0 HZ PHE A 8 25.167 14.157 -10.729 1.00 0.00 H new ATOM 123 N GLY A 9 20.195 10.824 -14.433 1.00 0.00 N ATOM 124 CA GLY A 9 20.188 11.566 -15.680 1.00 0.00 C ATOM 125 C GLY A 9 20.994 10.882 -16.766 1.00 0.00 C ATOM 126 O GLY A 9 21.939 11.459 -17.303 1.00 0.00 O ATOM 0 H GLY A 9 19.278 10.510 -14.116 1.00 0.00 H new ATOM 0 HA2 GLY A 9 19.160 11.691 -16.019 1.00 0.00 H new ATOM 0 HA3 GLY A 9 20.590 12.564 -15.507 1.00 0.00 H new ATOM 130 N GLU A 10 20.621 9.648 -17.089 1.00 0.00 N ATOM 131 CA GLU A 10 21.319 8.884 -18.116 1.00 0.00 C ATOM 132 C GLU A 10 20.428 8.675 -19.338 1.00 0.00 C ATOM 133 O GLU A 10 20.793 9.043 -20.455 1.00 0.00 O ATOM 134 CB GLU A 10 21.767 7.530 -17.561 1.00 0.00 C ATOM 135 CG GLU A 10 23.168 7.546 -16.975 1.00 0.00 C ATOM 136 CD GLU A 10 24.246 7.591 -18.041 1.00 0.00 C ATOM 137 OE1 GLU A 10 24.476 8.680 -18.607 1.00 0.00 O ATOM 138 OE2 GLU A 10 24.859 6.537 -18.309 1.00 0.00 O ATOM 0 H GLU A 10 19.840 9.156 -16.655 1.00 0.00 H new ATOM 0 HA GLU A 10 22.198 9.452 -18.421 1.00 0.00 H new ATOM 0 HB2 GLU A 10 21.064 7.212 -16.791 1.00 0.00 H new ATOM 0 HB3 GLU A 10 21.724 6.788 -18.358 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.274 8.411 -16.320 1.00 0.00 H new ATOM 0 HG3 GLU A 10 23.310 6.659 -16.358 1.00 0.00 H new ATOM 145 N ASP A 11 19.260 8.082 -19.117 1.00 0.00 N ATOM 146 CA ASP A 11 18.317 7.825 -20.199 1.00 0.00 C ATOM 147 C ASP A 11 16.913 8.281 -19.815 1.00 0.00 C ATOM 148 O ASP A 11 16.379 9.233 -20.385 1.00 0.00 O ATOM 149 CB ASP A 11 18.305 6.336 -20.550 1.00 0.00 C ATOM 150 CG ASP A 11 17.825 6.080 -21.965 1.00 0.00 C ATOM 151 OD1 ASP A 11 18.338 6.739 -22.895 1.00 0.00 O ATOM 152 OD2 ASP A 11 16.938 5.219 -22.144 1.00 0.00 O ATOM 0 H ASP A 11 18.944 7.770 -18.199 1.00 0.00 H new ATOM 0 HA ASP A 11 18.638 8.394 -21.072 1.00 0.00 H new ATOM 0 HB2 ASP A 11 19.309 5.929 -20.431 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.661 5.805 -19.849 1.00 0.00 H new ATOM 157 N THR A 12 16.317 7.593 -18.845 1.00 0.00 N ATOM 158 CA THR A 12 14.974 7.926 -18.386 1.00 0.00 C ATOM 159 C THR A 12 14.570 7.062 -17.197 1.00 0.00 C ATOM 160 O THR A 12 15.300 6.154 -16.800 1.00 0.00 O ATOM 161 CB THR A 12 13.937 7.749 -19.511 1.00 0.00 C ATOM 162 OG1 THR A 12 12.677 8.298 -19.106 1.00 0.00 O ATOM 163 CG2 THR A 12 13.765 6.279 -19.863 1.00 0.00 C ATOM 0 H THR A 12 16.744 6.802 -18.363 1.00 0.00 H new ATOM 0 HA THR A 12 14.994 8.972 -18.081 1.00 0.00 H new ATOM 0 HB THR A 12 14.297 8.278 -20.394 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.023 8.183 -19.827 1.00 0.00 H new ATOM 0 HG21 THR A 12 13.028 6.179 -20.660 1.00 0.00 H new ATOM 0 HG22 THR A 12 14.719 5.871 -20.198 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.425 5.732 -18.984 1.00 0.00 H new ATOM 171 N VAL A 13 13.401 7.349 -16.633 1.00 0.00 N ATOM 172 CA VAL A 13 12.899 6.597 -15.490 1.00 0.00 C ATOM 173 C VAL A 13 12.053 5.411 -15.941 1.00 0.00 C ATOM 174 O VAL A 13 11.627 5.343 -17.094 1.00 0.00 O ATOM 175 CB VAL A 13 12.057 7.488 -14.557 1.00 0.00 C ATOM 176 CG1 VAL A 13 12.060 6.933 -13.141 1.00 0.00 C ATOM 177 CG2 VAL A 13 12.575 8.919 -14.579 1.00 0.00 C ATOM 0 H VAL A 13 12.784 8.097 -16.949 1.00 0.00 H new ATOM 0 HA VAL A 13 13.769 6.233 -14.944 1.00 0.00 H new ATOM 0 HB VAL A 13 11.028 7.492 -14.917 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.460 7.576 -12.497 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.639 5.928 -13.143 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.083 6.897 -12.766 1.00 0.00 H new ATOM 0 HG21 VAL A 13 11.969 9.535 -13.915 1.00 0.00 H new ATOM 0 HG22 VAL A 13 13.612 8.936 -14.244 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.515 9.312 -15.594 1.00 0.00 H new ATOM 187 N TRP A 14 11.813 4.480 -15.025 1.00 0.00 N ATOM 188 CA TRP A 14 11.017 3.297 -15.328 1.00 0.00 C ATOM 189 C TRP A 14 11.677 2.462 -16.420 1.00 0.00 C ATOM 190 O TRP A 14 11.035 1.614 -17.038 1.00 0.00 O ATOM 191 CB TRP A 14 9.607 3.702 -15.762 1.00 0.00 C ATOM 192 CG TRP A 14 8.779 4.258 -14.643 1.00 0.00 C ATOM 193 CD1 TRP A 14 8.982 5.434 -13.979 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.617 3.660 -14.058 1.00 0.00 C ATOM 195 NE1 TRP A 14 8.017 5.603 -13.016 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.167 4.528 -13.044 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.913 2.476 -14.292 1.00 0.00 C ATOM 198 CZ2 TRP A 14 6.046 4.248 -12.268 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.801 2.199 -13.520 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.375 3.082 -12.519 1.00 0.00 C ATOM 0 H TRP A 14 12.158 4.522 -14.066 1.00 0.00 H new ATOM 0 HA TRP A 14 10.952 2.693 -14.423 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.678 4.445 -16.556 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.100 2.834 -16.183 1.00 0.00 H new ATOM 0 HD1 TRP A 14 9.783 6.129 -14.181 1.00 0.00 H new ATOM 0 HE1 TRP A 14 7.945 6.399 -12.383 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.232 1.790 -15.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.717 4.927 -11.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.250 1.286 -13.691 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.500 2.838 -11.934 1.00 0.00 H new ATOM 211 N GLU A 15 12.963 2.708 -16.651 1.00 0.00 N ATOM 212 CA GLU A 15 13.709 1.977 -17.669 1.00 0.00 C ATOM 213 C GLU A 15 15.102 1.612 -17.166 1.00 0.00 C ATOM 214 O GLU A 15 15.616 0.532 -17.458 1.00 0.00 O ATOM 215 CB GLU A 15 13.819 2.811 -18.948 1.00 0.00 C ATOM 216 CG GLU A 15 12.557 2.797 -19.794 1.00 0.00 C ATOM 217 CD GLU A 15 12.717 1.989 -21.067 1.00 0.00 C ATOM 218 OE1 GLU A 15 12.791 0.746 -20.976 1.00 0.00 O ATOM 219 OE2 GLU A 15 12.767 2.601 -22.155 1.00 0.00 O ATOM 0 H GLU A 15 13.509 3.407 -16.148 1.00 0.00 H new ATOM 0 HA GLU A 15 13.168 1.056 -17.888 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.056 3.841 -18.681 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.651 2.437 -19.545 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.736 2.385 -19.208 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.284 3.821 -20.050 1.00 0.00 H new ATOM 226 N VAL A 16 15.708 2.520 -16.408 1.00 0.00 N ATOM 227 CA VAL A 16 17.042 2.294 -15.863 1.00 0.00 C ATOM 228 C VAL A 16 17.051 2.457 -14.347 1.00 0.00 C ATOM 229 O VAL A 16 17.769 1.749 -13.642 1.00 0.00 O ATOM 230 CB VAL A 16 18.071 3.261 -16.478 1.00 0.00 C ATOM 231 CG1 VAL A 16 19.473 2.678 -16.387 1.00 0.00 C ATOM 232 CG2 VAL A 16 17.708 3.576 -17.921 1.00 0.00 C ATOM 0 H VAL A 16 15.297 3.419 -16.157 1.00 0.00 H new ATOM 0 HA VAL A 16 17.319 1.271 -16.118 1.00 0.00 H new ATOM 0 HB VAL A 16 18.054 4.192 -15.911 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.186 3.375 -16.827 1.00 0.00 H new ATOM 0 HG12 VAL A 16 19.729 2.508 -15.341 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.510 1.732 -16.928 1.00 0.00 H new ATOM 0 HG21 VAL A 16 18.445 4.261 -18.341 1.00 0.00 H new ATOM 0 HG22 VAL A 16 17.696 2.654 -18.503 1.00 0.00 H new ATOM 0 HG23 VAL A 16 16.722 4.039 -17.955 1.00 0.00 H new ATOM 242 N GLN A 17 16.247 3.394 -13.853 1.00 0.00 N ATOM 243 CA GLN A 17 16.163 3.649 -12.420 1.00 0.00 C ATOM 244 C GLN A 17 15.949 2.352 -11.647 1.00 0.00 C ATOM 245 O GLN A 17 16.591 2.113 -10.626 1.00 0.00 O ATOM 246 CB GLN A 17 15.027 4.629 -12.121 1.00 0.00 C ATOM 247 CG GLN A 17 14.446 4.479 -10.725 1.00 0.00 C ATOM 248 CD GLN A 17 13.496 5.604 -10.364 1.00 0.00 C ATOM 249 OE1 GLN A 17 13.921 6.678 -9.937 1.00 0.00 O ATOM 250 NE2 GLN A 17 12.201 5.363 -10.534 1.00 0.00 N ATOM 0 H GLN A 17 15.645 3.988 -14.424 1.00 0.00 H new ATOM 0 HA GLN A 17 17.107 4.089 -12.099 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.395 5.648 -12.245 1.00 0.00 H new ATOM 0 HB3 GLN A 17 14.233 4.486 -12.853 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.919 3.527 -10.655 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.258 4.448 -9.999 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.893 4.458 -10.891 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.514 6.083 -10.308 1.00 0.00 H new ATOM 259 N GLY A 18 15.040 1.517 -12.143 1.00 0.00 N ATOM 260 CA GLY A 18 14.756 0.255 -11.486 1.00 0.00 C ATOM 261 C GLY A 18 13.760 0.401 -10.353 1.00 0.00 C ATOM 262 O GLY A 18 13.875 -0.266 -9.325 1.00 0.00 O ATOM 0 H GLY A 18 14.496 1.693 -12.988 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.367 -0.453 -12.218 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.684 -0.166 -11.098 1.00 0.00 H new ATOM 266 N TYR A 19 12.779 1.278 -10.541 1.00 0.00 N ATOM 267 CA TYR A 19 11.760 1.513 -9.524 1.00 0.00 C ATOM 268 C TYR A 19 10.447 1.958 -10.162 1.00 0.00 C ATOM 269 O TYR A 19 10.403 2.309 -11.341 1.00 0.00 O ATOM 270 CB TYR A 19 12.239 2.569 -8.527 1.00 0.00 C ATOM 271 CG TYR A 19 13.091 2.007 -7.412 1.00 0.00 C ATOM 272 CD1 TYR A 19 12.520 1.275 -6.377 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.465 2.208 -7.391 1.00 0.00 C ATOM 274 CE1 TYR A 19 13.294 0.759 -5.355 1.00 0.00 C ATOM 275 CE2 TYR A 19 15.247 1.695 -6.374 1.00 0.00 C ATOM 276 CZ TYR A 19 14.657 0.972 -5.358 1.00 0.00 C ATOM 277 OH TYR A 19 15.432 0.461 -4.343 1.00 0.00 O ATOM 0 H TYR A 19 12.668 1.837 -11.387 1.00 0.00 H new ATOM 0 HA TYR A 19 11.587 0.576 -8.995 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.810 3.329 -9.061 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.372 3.068 -8.094 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.453 1.107 -6.372 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.930 2.775 -8.184 1.00 0.00 H new ATOM 0 HE1 TYR A 19 12.835 0.192 -4.559 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.314 1.859 -6.374 1.00 0.00 H new ATOM 0 HH TYR A 19 16.370 0.700 -4.496 1.00 0.00 H new ATOM 287 N LYS A 20 9.379 1.941 -9.373 1.00 0.00 N ATOM 288 CA LYS A 20 8.063 2.343 -9.856 1.00 0.00 C ATOM 289 C LYS A 20 7.313 3.140 -8.794 1.00 0.00 C ATOM 290 O LYS A 20 7.852 3.428 -7.726 1.00 0.00 O ATOM 291 CB LYS A 20 7.246 1.113 -10.258 1.00 0.00 C ATOM 292 CG LYS A 20 7.681 0.498 -11.577 1.00 0.00 C ATOM 293 CD LYS A 20 8.848 -0.457 -11.389 1.00 0.00 C ATOM 294 CE LYS A 20 8.596 -1.788 -12.081 1.00 0.00 C ATOM 295 NZ LYS A 20 9.280 -1.864 -13.402 1.00 0.00 N ATOM 0 H LYS A 20 9.399 1.653 -8.395 1.00 0.00 H new ATOM 0 HA LYS A 20 8.204 2.979 -10.730 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.326 0.362 -9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.195 1.392 -10.326 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.842 -0.035 -12.025 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.965 1.288 -12.272 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.757 -0.005 -11.787 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.015 -0.625 -10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.945 -2.601 -11.444 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.524 -1.929 -12.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.084 -2.786 -13.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.929 -1.104 -14.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.306 -1.755 -13.269 1.00 0.00 H new ATOM 309 N ASN A 21 6.067 3.492 -9.094 1.00 0.00 N ATOM 310 CA ASN A 21 5.243 4.255 -8.164 1.00 0.00 C ATOM 311 C ASN A 21 3.822 3.704 -8.118 1.00 0.00 C ATOM 312 O ASN A 21 3.029 3.925 -9.034 1.00 0.00 O ATOM 313 CB ASN A 21 5.217 5.732 -8.566 1.00 0.00 C ATOM 314 CG ASN A 21 6.567 6.401 -8.395 1.00 0.00 C ATOM 315 OD1 ASN A 21 7.512 6.056 -9.262 1.00 0.00 O flip ATOM 316 ND2 ASN A 21 6.758 7.219 -7.495 1.00 0.00 N flip ATOM 0 H ASN A 21 5.606 3.261 -9.974 1.00 0.00 H new ATOM 0 HA ASN A 21 5.681 4.164 -7.170 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.901 5.817 -9.606 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.475 6.257 -7.964 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.003 7.454 -6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.671 7.661 -7.393 1.00 0.00 H new ATOM 323 N VAL A 22 3.505 2.985 -7.046 1.00 0.00 N ATOM 324 CA VAL A 22 2.179 2.404 -6.879 1.00 0.00 C ATOM 325 C VAL A 22 1.430 3.064 -5.727 1.00 0.00 C ATOM 326 O VAL A 22 2.040 3.549 -4.774 1.00 0.00 O ATOM 327 CB VAL A 22 2.260 0.887 -6.622 1.00 0.00 C ATOM 328 CG1 VAL A 22 2.913 0.607 -5.277 1.00 0.00 C ATOM 329 CG2 VAL A 22 0.875 0.261 -6.692 1.00 0.00 C ATOM 0 H VAL A 22 4.150 2.791 -6.280 1.00 0.00 H new ATOM 0 HA VAL A 22 1.637 2.580 -7.808 1.00 0.00 H new ATOM 0 HB VAL A 22 2.878 0.437 -7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.961 -0.470 -5.113 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.921 1.021 -5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.325 1.069 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.950 -0.811 -6.508 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.232 0.714 -5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.449 0.430 -7.681 1.00 0.00 H new ATOM 339 N ARG A 23 0.105 3.078 -5.821 1.00 0.00 N ATOM 340 CA ARG A 23 -0.729 3.679 -4.787 1.00 0.00 C ATOM 341 C ARG A 23 -1.812 2.708 -4.328 1.00 0.00 C ATOM 342 O ARG A 23 -2.167 1.774 -5.048 1.00 0.00 O ATOM 343 CB ARG A 23 -1.370 4.968 -5.304 1.00 0.00 C ATOM 344 CG ARG A 23 -0.740 6.231 -4.741 1.00 0.00 C ATOM 345 CD ARG A 23 -1.730 7.019 -3.896 1.00 0.00 C ATOM 346 NE ARG A 23 -1.552 8.460 -4.047 1.00 0.00 N ATOM 347 CZ ARG A 23 -1.919 9.137 -5.129 1.00 0.00 C ATOM 348 NH1 ARG A 23 -2.483 8.506 -6.150 1.00 0.00 N ATOM 349 NH2 ARG A 23 -1.724 10.448 -5.191 1.00 0.00 N ATOM 0 H ARG A 23 -0.415 2.680 -6.603 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.092 3.915 -3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.296 4.989 -6.391 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.431 4.960 -5.056 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.128 5.968 -4.136 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.380 6.855 -5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.746 6.747 -4.181 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.609 6.747 -2.848 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.122 8.975 -3.279 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.636 7.499 -6.105 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.764 9.028 -6.980 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.292 10.937 -4.407 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.006 10.967 -6.023 1.00 0.00 H new ATOM 363 N ILE A 24 -2.331 2.934 -3.126 1.00 0.00 N ATOM 364 CA ILE A 24 -3.373 2.079 -2.571 1.00 0.00 C ATOM 365 C ILE A 24 -4.653 2.868 -2.315 1.00 0.00 C ATOM 366 O ILE A 24 -4.633 3.909 -1.658 1.00 0.00 O ATOM 367 CB ILE A 24 -2.919 1.417 -1.257 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.666 0.572 -1.492 1.00 0.00 C ATOM 369 CG2 ILE A 24 -4.039 0.565 -0.678 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.854 -0.511 -2.532 1.00 0.00 C ATOM 0 H ILE A 24 -2.047 3.702 -2.518 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.570 1.302 -3.310 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.676 2.200 -0.538 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.850 1.225 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.366 0.112 -0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.702 0.104 0.251 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.907 1.193 -0.478 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.311 -0.213 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.926 -1.070 -2.647 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.648 -1.187 -2.214 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.124 -0.057 -3.485 1.00 0.00 H new ATOM 382 N THR A 25 -5.767 2.364 -2.836 1.00 0.00 N ATOM 383 CA THR A 25 -7.057 3.020 -2.663 1.00 0.00 C ATOM 384 C THR A 25 -8.206 2.054 -2.928 1.00 0.00 C ATOM 385 O THR A 25 -8.823 2.085 -3.993 1.00 0.00 O ATOM 386 CB THR A 25 -7.198 4.236 -3.598 1.00 0.00 C ATOM 387 OG1 THR A 25 -6.153 5.180 -3.335 1.00 0.00 O ATOM 388 CG2 THR A 25 -8.551 4.906 -3.414 1.00 0.00 C ATOM 0 H THR A 25 -5.802 1.503 -3.382 1.00 0.00 H new ATOM 0 HA THR A 25 -7.103 3.359 -1.628 1.00 0.00 H new ATOM 0 HB THR A 25 -7.121 3.886 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.727 4.966 -2.479 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.627 5.762 -4.085 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.344 4.194 -3.643 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.653 5.243 -2.382 1.00 0.00 H new ATOM 396 N PHE A 26 -8.489 1.196 -1.953 1.00 0.00 N ATOM 397 CA PHE A 26 -9.564 0.220 -2.082 1.00 0.00 C ATOM 398 C PHE A 26 -10.611 0.417 -0.989 1.00 0.00 C ATOM 399 O PHE A 26 -11.690 0.952 -1.239 1.00 0.00 O ATOM 400 CB PHE A 26 -9.002 -1.201 -2.015 1.00 0.00 C ATOM 401 CG PHE A 26 -10.059 -2.267 -2.075 1.00 0.00 C ATOM 402 CD1 PHE A 26 -10.591 -2.666 -3.290 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.519 -2.871 -0.916 1.00 0.00 C ATOM 404 CE1 PHE A 26 -11.564 -3.646 -3.347 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.491 -3.852 -0.967 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.014 -4.241 -2.184 1.00 0.00 C ATOM 0 H PHE A 26 -7.989 1.157 -1.065 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.042 0.369 -3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.304 -1.346 -2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.434 -1.315 -1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.242 -2.206 -4.203 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.113 -2.571 0.039 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -11.973 -3.947 -4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.841 -4.314 -0.056 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.773 -5.008 -2.227 1.00 0.00 H new ATOM 416 N GLU A 27 -10.282 -0.021 0.222 1.00 0.00 N ATOM 417 CA GLU A 27 -11.195 0.106 1.353 1.00 0.00 C ATOM 418 C GLU A 27 -10.584 -0.496 2.615 1.00 0.00 C ATOM 419 O GLU A 27 -10.099 -1.628 2.605 1.00 0.00 O ATOM 420 CB GLU A 27 -12.527 -0.579 1.041 1.00 0.00 C ATOM 421 CG GLU A 27 -13.695 0.385 0.925 1.00 0.00 C ATOM 422 CD GLU A 27 -15.035 -0.293 1.135 1.00 0.00 C ATOM 423 OE1 GLU A 27 -15.068 -1.541 1.173 1.00 0.00 O ATOM 424 OE2 GLU A 27 -16.050 0.423 1.262 1.00 0.00 O ATOM 0 H GLU A 27 -9.392 -0.466 0.445 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.373 1.167 1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.431 -1.134 0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.744 -1.307 1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.577 1.183 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.679 0.852 -0.060 1.00 0.00 H new ATOM 431 N LEU A 28 -10.610 0.269 3.700 1.00 0.00 N ATOM 432 CA LEU A 28 -10.059 -0.187 4.972 1.00 0.00 C ATOM 433 C LEU A 28 -10.901 0.313 6.141 1.00 0.00 C ATOM 434 O LEU A 28 -11.398 -0.477 6.944 1.00 0.00 O ATOM 435 CB LEU A 28 -8.615 0.294 5.126 1.00 0.00 C ATOM 436 CG LEU A 28 -7.540 -0.794 5.114 1.00 0.00 C ATOM 437 CD1 LEU A 28 -7.839 -1.851 6.165 1.00 0.00 C ATOM 438 CD2 LEU A 28 -7.437 -1.426 3.733 1.00 0.00 C ATOM 0 H LEU A 28 -11.007 1.208 3.725 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.075 -1.277 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.400 0.998 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.535 0.846 6.063 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.581 -0.334 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.064 -2.617 6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.862 -1.387 7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.806 -2.308 5.957 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.667 -2.198 3.743 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.395 -1.872 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.175 -0.661 3.002 1.00 0.00 H new ATOM 450 N ASP A 29 -11.058 1.629 6.230 1.00 0.00 N ATOM 451 CA ASP A 29 -11.843 2.235 7.299 1.00 0.00 C ATOM 452 C ASP A 29 -12.841 3.242 6.737 1.00 0.00 C ATOM 453 O ASP A 29 -12.823 3.548 5.545 1.00 0.00 O ATOM 454 CB ASP A 29 -10.923 2.920 8.311 1.00 0.00 C ATOM 455 CG ASP A 29 -10.405 1.961 9.364 1.00 0.00 C ATOM 456 OD1 ASP A 29 -10.946 0.840 9.464 1.00 0.00 O ATOM 457 OD2 ASP A 29 -9.457 2.331 10.088 1.00 0.00 O ATOM 0 H ASP A 29 -10.652 2.297 5.575 1.00 0.00 H new ATOM 0 HA ASP A 29 -12.398 1.443 7.802 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.080 3.368 7.786 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.463 3.732 8.798 1.00 0.00 H new ATOM 462 N GLU A 30 -13.711 3.753 7.603 1.00 0.00 N ATOM 463 CA GLU A 30 -14.717 4.725 7.192 1.00 0.00 C ATOM 464 C GLU A 30 -14.403 6.107 7.757 1.00 0.00 C ATOM 465 O GLU A 30 -14.435 7.105 7.038 1.00 0.00 O ATOM 466 CB GLU A 30 -16.107 4.278 7.650 1.00 0.00 C ATOM 467 CG GLU A 30 -16.719 3.198 6.773 1.00 0.00 C ATOM 468 CD GLU A 30 -17.990 3.657 6.085 1.00 0.00 C ATOM 469 OE1 GLU A 30 -19.032 3.754 6.768 1.00 0.00 O ATOM 470 OE2 GLU A 30 -17.944 3.917 4.865 1.00 0.00 O ATOM 0 H GLU A 30 -13.739 3.510 8.593 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.703 4.786 6.104 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.042 3.909 8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.771 5.142 7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.993 2.892 6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.936 2.320 7.382 1.00 0.00 H new ATOM 477 N ARG A 31 -14.101 6.155 9.050 1.00 0.00 N ATOM 478 CA ARG A 31 -13.783 7.414 9.714 1.00 0.00 C ATOM 479 C ARG A 31 -12.367 7.868 9.368 1.00 0.00 C ATOM 480 O ARG A 31 -12.021 9.037 9.537 1.00 0.00 O ATOM 481 CB ARG A 31 -13.926 7.267 11.230 1.00 0.00 C ATOM 482 CG ARG A 31 -14.360 8.546 11.927 1.00 0.00 C ATOM 483 CD ARG A 31 -15.852 8.789 11.768 1.00 0.00 C ATOM 484 NE ARG A 31 -16.356 9.754 12.742 1.00 0.00 N ATOM 485 CZ ARG A 31 -16.077 11.052 12.704 1.00 0.00 C ATOM 486 NH1 ARG A 31 -15.303 11.538 11.744 1.00 0.00 N ATOM 487 NH2 ARG A 31 -16.574 11.866 13.626 1.00 0.00 N ATOM 0 H ARG A 31 -14.070 5.337 9.659 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.486 8.169 9.361 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.652 6.482 11.444 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.973 6.942 11.647 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.111 8.487 12.987 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -13.807 9.391 11.516 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.055 9.151 10.760 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.387 7.846 11.881 1.00 0.00 H new ATOM 0 HE ARG A 31 -16.955 9.412 13.493 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -14.921 10.915 11.033 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -15.090 12.535 11.716 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -17.171 11.495 14.365 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -16.359 12.863 13.596 1.00 0.00 H new ATOM 501 N VAL A 32 -11.554 6.935 8.884 1.00 0.00 N ATOM 502 CA VAL A 32 -10.176 7.239 8.514 1.00 0.00 C ATOM 503 C VAL A 32 -9.787 6.537 7.219 1.00 0.00 C ATOM 504 O VAL A 32 -8.698 5.975 7.108 1.00 0.00 O ATOM 505 CB VAL A 32 -9.193 6.826 9.625 1.00 0.00 C ATOM 506 CG1 VAL A 32 -9.372 7.706 10.853 1.00 0.00 C ATOM 507 CG2 VAL A 32 -9.376 5.358 9.980 1.00 0.00 C ATOM 0 H VAL A 32 -11.825 5.962 8.739 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.117 8.318 8.370 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.177 6.963 9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.669 7.398 11.627 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.185 8.746 10.586 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.391 7.605 11.228 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.673 5.084 10.767 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.395 5.193 10.330 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.191 4.745 9.098 1.00 0.00 H new ATOM 517 N ASP A 33 -10.685 6.572 6.240 1.00 0.00 N ATOM 518 CA ASP A 33 -10.436 5.940 4.950 1.00 0.00 C ATOM 519 C ASP A 33 -9.347 6.683 4.182 1.00 0.00 C ATOM 520 O ASP A 33 -8.321 6.105 3.823 1.00 0.00 O ATOM 521 CB ASP A 33 -11.721 5.897 4.122 1.00 0.00 C ATOM 522 CG ASP A 33 -11.786 4.684 3.215 1.00 0.00 C ATOM 523 OD1 ASP A 33 -10.722 4.256 2.722 1.00 0.00 O ATOM 524 OD2 ASP A 33 -12.900 4.163 2.999 1.00 0.00 O ATOM 0 H ASP A 33 -11.592 7.032 6.316 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.096 4.921 5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.581 5.893 4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.791 6.802 3.519 1.00 0.00 H new ATOM 529 N LYS A 34 -9.577 7.967 3.933 1.00 0.00 N ATOM 530 CA LYS A 34 -8.616 8.791 3.208 1.00 0.00 C ATOM 531 C LYS A 34 -7.335 8.971 4.016 1.00 0.00 C ATOM 532 O LYS A 34 -6.318 9.427 3.493 1.00 0.00 O ATOM 533 CB LYS A 34 -9.225 10.157 2.886 1.00 0.00 C ATOM 534 CG LYS A 34 -8.889 11.229 3.908 1.00 0.00 C ATOM 535 CD LYS A 34 -9.413 10.869 5.288 1.00 0.00 C ATOM 536 CE LYS A 34 -10.212 12.011 5.896 1.00 0.00 C ATOM 537 NZ LYS A 34 -9.328 13.064 6.469 1.00 0.00 N ATOM 0 H LYS A 34 -10.421 8.461 4.223 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.368 8.282 2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.875 10.479 1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.308 10.056 2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.808 11.364 3.952 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.317 12.181 3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.041 9.980 5.220 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.577 10.620 5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.854 12.451 5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.866 11.622 6.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.911 13.824 6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.733 12.650 7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.722 13.454 5.719 1.00 0.00 H new ATOM 551 N VAL A 35 -7.391 8.610 5.294 1.00 0.00 N ATOM 552 CA VAL A 35 -6.235 8.729 6.174 1.00 0.00 C ATOM 553 C VAL A 35 -5.155 7.720 5.802 1.00 0.00 C ATOM 554 O VAL A 35 -3.999 7.852 6.208 1.00 0.00 O ATOM 555 CB VAL A 35 -6.628 8.524 7.649 1.00 0.00 C ATOM 556 CG1 VAL A 35 -5.419 8.706 8.554 1.00 0.00 C ATOM 557 CG2 VAL A 35 -7.746 9.478 8.040 1.00 0.00 C ATOM 0 H VAL A 35 -8.225 8.232 5.743 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.844 9.739 6.047 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.993 7.504 7.771 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.716 8.557 9.592 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.653 7.978 8.288 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.021 9.713 8.431 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.011 9.319 9.085 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.412 10.506 7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.618 9.293 7.413 1.00 0.00 H new ATOM 567 N LEU A 36 -5.537 6.711 5.026 1.00 0.00 N ATOM 568 CA LEU A 36 -4.601 5.678 4.597 1.00 0.00 C ATOM 569 C LEU A 36 -4.510 5.623 3.076 1.00 0.00 C ATOM 570 O LEU A 36 -3.803 4.786 2.516 1.00 0.00 O ATOM 571 CB LEU A 36 -5.030 4.315 5.144 1.00 0.00 C ATOM 572 CG LEU A 36 -6.517 3.981 5.021 1.00 0.00 C ATOM 573 CD1 LEU A 36 -6.865 3.616 3.586 1.00 0.00 C ATOM 574 CD2 LEU A 36 -6.888 2.847 5.966 1.00 0.00 C ATOM 0 H LEU A 36 -6.489 6.587 4.681 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.616 5.928 4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.461 3.543 4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.753 4.265 6.197 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.093 4.864 5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.927 3.381 3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.636 4.457 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.281 2.748 3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.950 2.622 5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.304 1.961 5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.676 3.145 6.993 1.00 0.00 H new ATOM 586 N ASN A 37 -5.229 6.523 2.412 1.00 0.00 N ATOM 587 CA ASN A 37 -5.228 6.577 0.955 1.00 0.00 C ATOM 588 C ASN A 37 -4.665 7.906 0.460 1.00 0.00 C ATOM 589 O ASN A 37 -4.141 7.995 -0.649 1.00 0.00 O ATOM 590 CB ASN A 37 -6.646 6.380 0.415 1.00 0.00 C ATOM 591 CG ASN A 37 -7.166 7.607 -0.308 1.00 0.00 C ATOM 592 OD1 ASN A 37 -7.341 8.667 0.293 1.00 0.00 O ATOM 593 ND2 ASN A 37 -7.416 7.468 -1.604 1.00 0.00 N ATOM 0 H ASN A 37 -5.819 7.224 2.860 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.591 5.772 0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.657 5.529 -0.266 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.315 6.137 1.240 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.768 8.259 -2.143 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.256 6.570 -2.061 1.00 0.00 H new ATOM 600 N GLU A 38 -4.776 8.936 1.293 1.00 0.00 N ATOM 601 CA GLU A 38 -4.278 10.261 0.940 1.00 0.00 C ATOM 602 C GLU A 38 -3.100 10.653 1.828 1.00 0.00 C ATOM 603 O GLU A 38 -2.087 11.160 1.346 1.00 0.00 O ATOM 604 CB GLU A 38 -5.394 11.300 1.066 1.00 0.00 C ATOM 605 CG GLU A 38 -4.886 12.727 1.180 1.00 0.00 C ATOM 606 CD GLU A 38 -5.750 13.716 0.421 1.00 0.00 C ATOM 607 OE1 GLU A 38 -5.642 13.766 -0.822 1.00 0.00 O ATOM 608 OE2 GLU A 38 -6.534 14.440 1.070 1.00 0.00 O ATOM 0 H GLU A 38 -5.206 8.879 2.216 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.937 10.229 -0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.049 11.225 0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.999 11.067 1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.850 13.013 2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.865 12.777 0.801 1.00 0.00 H new ATOM 615 N LYS A 39 -3.242 10.416 3.127 1.00 0.00 N ATOM 616 CA LYS A 39 -2.191 10.743 4.084 1.00 0.00 C ATOM 617 C LYS A 39 -0.854 10.154 3.646 1.00 0.00 C ATOM 618 O LYS A 39 0.164 10.848 3.626 1.00 0.00 O ATOM 619 CB LYS A 39 -2.559 10.222 5.475 1.00 0.00 C ATOM 620 CG LYS A 39 -1.911 10.999 6.607 1.00 0.00 C ATOM 621 CD LYS A 39 -2.950 11.667 7.492 1.00 0.00 C ATOM 622 CE LYS A 39 -3.779 12.677 6.713 1.00 0.00 C ATOM 623 NZ LYS A 39 -4.758 13.383 7.586 1.00 0.00 N ATOM 0 H LYS A 39 -4.075 9.998 3.542 1.00 0.00 H new ATOM 0 HA LYS A 39 -2.095 11.828 4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.642 10.260 5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.267 9.175 5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.299 10.326 7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.243 11.755 6.195 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.606 10.909 7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.454 12.166 8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.117 13.406 6.246 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.311 12.168 5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.303 14.062 7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.406 12.690 8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.250 13.890 8.338 1.00 0.00 H new ATOM 637 N CYS A 40 -0.864 8.873 3.295 1.00 0.00 N ATOM 638 CA CYS A 40 0.349 8.191 2.857 1.00 0.00 C ATOM 639 C CYS A 40 0.022 6.817 2.282 1.00 0.00 C ATOM 640 O CYS A 40 0.103 5.806 2.979 1.00 0.00 O ATOM 641 CB CYS A 40 1.329 8.050 4.022 1.00 0.00 C ATOM 642 SG CYS A 40 2.744 9.173 3.937 1.00 0.00 S ATOM 0 H CYS A 40 -1.698 8.286 3.305 1.00 0.00 H new ATOM 0 HA CYS A 40 0.812 8.792 2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.795 8.226 4.956 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.695 7.024 4.053 1.00 0.00 H new ATOM 0 HG CYS A 40 2.323 10.388 3.745 1.00 0.00 H new ATOM 648 N SER A 41 -0.348 6.788 1.005 1.00 0.00 N ATOM 649 CA SER A 41 -0.693 5.539 0.337 1.00 0.00 C ATOM 650 C SER A 41 0.256 5.264 -0.825 1.00 0.00 C ATOM 651 O SER A 41 0.134 4.253 -1.516 1.00 0.00 O ATOM 652 CB SER A 41 -2.136 5.587 -0.168 1.00 0.00 C ATOM 653 OG SER A 41 -2.826 4.389 0.143 1.00 0.00 O ATOM 0 H SER A 41 -0.416 7.616 0.413 1.00 0.00 H new ATOM 0 HA SER A 41 -0.596 4.730 1.061 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.653 6.435 0.281 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.142 5.744 -1.247 1.00 0.00 H new ATOM 0 HG SER A 41 -3.391 4.131 -0.615 1.00 0.00 H new ATOM 659 N VAL A 42 1.203 6.173 -1.035 1.00 0.00 N ATOM 660 CA VAL A 42 2.175 6.030 -2.112 1.00 0.00 C ATOM 661 C VAL A 42 3.341 5.146 -1.686 1.00 0.00 C ATOM 662 O VAL A 42 3.787 5.197 -0.540 1.00 0.00 O ATOM 663 CB VAL A 42 2.720 7.399 -2.562 1.00 0.00 C ATOM 664 CG1 VAL A 42 3.821 7.222 -3.596 1.00 0.00 C ATOM 665 CG2 VAL A 42 1.596 8.266 -3.109 1.00 0.00 C ATOM 0 H VAL A 42 1.318 7.017 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 42 1.655 5.562 -2.948 1.00 0.00 H new ATOM 0 HB VAL A 42 3.147 7.903 -1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.194 8.200 -3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.636 6.642 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.423 6.697 -4.465 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.999 9.229 -3.422 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.137 7.770 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.846 8.421 -2.334 1.00 0.00 H new ATOM 675 N TYR A 43 3.832 4.335 -2.617 1.00 0.00 N ATOM 676 CA TYR A 43 4.946 3.437 -2.338 1.00 0.00 C ATOM 677 C TYR A 43 5.789 3.209 -3.589 1.00 0.00 C ATOM 678 O TYR A 43 5.325 3.414 -4.712 1.00 0.00 O ATOM 679 CB TYR A 43 4.429 2.099 -1.807 1.00 0.00 C ATOM 680 CG TYR A 43 3.558 2.231 -0.579 1.00 0.00 C ATOM 681 CD1 TYR A 43 4.111 2.209 0.696 1.00 0.00 C ATOM 682 CD2 TYR A 43 2.181 2.378 -0.693 1.00 0.00 C ATOM 683 CE1 TYR A 43 3.318 2.328 1.820 1.00 0.00 C ATOM 684 CE2 TYR A 43 1.380 2.499 0.427 1.00 0.00 C ATOM 685 CZ TYR A 43 1.953 2.474 1.681 1.00 0.00 C ATOM 686 OH TYR A 43 1.160 2.594 2.799 1.00 0.00 O ATOM 0 H TYR A 43 3.476 4.281 -3.571 1.00 0.00 H new ATOM 0 HA TYR A 43 5.574 3.903 -1.579 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.861 1.601 -2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.279 1.458 -1.572 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.179 2.097 0.809 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.729 2.398 -1.674 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.764 2.307 2.803 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.311 2.612 0.321 1.00 0.00 H new ATOM 0 HH TYR A 43 0.223 2.690 2.527 1.00 0.00 H new ATOM 696 N THR A 44 7.032 2.782 -3.388 1.00 0.00 N ATOM 697 CA THR A 44 7.941 2.526 -4.498 1.00 0.00 C ATOM 698 C THR A 44 8.196 1.033 -4.667 1.00 0.00 C ATOM 699 O THR A 44 8.412 0.315 -3.690 1.00 0.00 O ATOM 700 CB THR A 44 9.288 3.246 -4.298 1.00 0.00 C ATOM 701 OG1 THR A 44 9.122 4.360 -3.414 1.00 0.00 O ATOM 702 CG2 THR A 44 9.848 3.726 -5.628 1.00 0.00 C ATOM 0 H THR A 44 7.432 2.606 -2.466 1.00 0.00 H new ATOM 0 HA THR A 44 7.460 2.913 -5.396 1.00 0.00 H new ATOM 0 HB THR A 44 9.992 2.538 -3.860 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.983 4.811 -3.291 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.799 4.231 -5.461 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.002 2.872 -6.288 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.145 4.419 -6.090 1.00 0.00 H new ATOM 710 N VAL A 45 8.169 0.570 -5.913 1.00 0.00 N ATOM 711 CA VAL A 45 8.399 -0.839 -6.210 1.00 0.00 C ATOM 712 C VAL A 45 9.651 -1.024 -7.060 1.00 0.00 C ATOM 713 O VAL A 45 9.745 -0.495 -8.167 1.00 0.00 O ATOM 714 CB VAL A 45 7.197 -1.461 -6.944 1.00 0.00 C ATOM 715 CG1 VAL A 45 7.474 -2.917 -7.284 1.00 0.00 C ATOM 716 CG2 VAL A 45 5.935 -1.332 -6.105 1.00 0.00 C ATOM 0 H VAL A 45 7.990 1.150 -6.733 1.00 0.00 H new ATOM 0 HA VAL A 45 8.534 -1.346 -5.255 1.00 0.00 H new ATOM 0 HB VAL A 45 7.043 -0.918 -7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.613 -3.340 -7.802 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.352 -2.980 -7.927 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.656 -3.477 -6.366 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.096 -1.777 -6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.075 -1.848 -5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.728 -0.278 -5.918 1.00 0.00 H new ATOM 726 N GLU A 46 10.611 -1.779 -6.534 1.00 0.00 N ATOM 727 CA GLU A 46 11.858 -2.033 -7.245 1.00 0.00 C ATOM 728 C GLU A 46 11.595 -2.756 -8.563 1.00 0.00 C ATOM 729 O GLU A 46 10.447 -2.923 -8.973 1.00 0.00 O ATOM 730 CB GLU A 46 12.806 -2.862 -6.377 1.00 0.00 C ATOM 731 CG GLU A 46 14.162 -2.210 -6.162 1.00 0.00 C ATOM 732 CD GLU A 46 15.313 -3.172 -6.383 1.00 0.00 C ATOM 733 OE1 GLU A 46 15.729 -3.341 -7.548 1.00 0.00 O ATOM 734 OE2 GLU A 46 15.798 -3.756 -5.391 1.00 0.00 O ATOM 0 H GLU A 46 10.549 -2.225 -5.619 1.00 0.00 H new ATOM 0 HA GLU A 46 12.324 -1.072 -7.464 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.339 -3.037 -5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.951 -3.837 -6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.266 -1.363 -6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.214 -1.814 -5.148 1.00 0.00 H new ATOM 741 N SER A 47 12.668 -3.182 -9.222 1.00 0.00 N ATOM 742 CA SER A 47 12.554 -3.882 -10.496 1.00 0.00 C ATOM 743 C SER A 47 12.265 -5.364 -10.277 1.00 0.00 C ATOM 744 O SER A 47 11.511 -5.979 -11.030 1.00 0.00 O ATOM 745 CB SER A 47 13.840 -3.717 -11.309 1.00 0.00 C ATOM 746 OG SER A 47 13.638 -4.086 -12.663 1.00 0.00 O ATOM 0 H SER A 47 13.626 -3.055 -8.895 1.00 0.00 H new ATOM 0 HA SER A 47 11.723 -3.445 -11.050 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.176 -2.682 -11.257 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.630 -4.331 -10.875 1.00 0.00 H new ATOM 0 HG SER A 47 14.474 -3.970 -13.162 1.00 0.00 H new ATOM 752 N GLY A 48 12.871 -5.932 -9.238 1.00 0.00 N ATOM 753 CA GLY A 48 12.667 -7.337 -8.938 1.00 0.00 C ATOM 754 C GLY A 48 11.964 -7.550 -7.611 1.00 0.00 C ATOM 755 O GLY A 48 12.610 -7.768 -6.585 1.00 0.00 O ATOM 0 H GLY A 48 13.499 -5.444 -8.599 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.080 -7.794 -9.734 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.631 -7.846 -8.921 1.00 0.00 H new ATOM 759 N THR A 49 10.636 -7.485 -7.629 1.00 0.00 N ATOM 760 CA THR A 49 9.846 -7.670 -6.419 1.00 0.00 C ATOM 761 C THR A 49 8.604 -8.509 -6.696 1.00 0.00 C ATOM 762 O THR A 49 8.221 -8.705 -7.849 1.00 0.00 O ATOM 763 CB THR A 49 9.414 -6.318 -5.819 1.00 0.00 C ATOM 764 OG1 THR A 49 10.399 -5.319 -6.104 1.00 0.00 O ATOM 765 CG2 THR A 49 9.220 -6.432 -4.314 1.00 0.00 C ATOM 0 H THR A 49 10.086 -7.306 -8.469 1.00 0.00 H new ATOM 0 HA THR A 49 10.481 -8.192 -5.703 1.00 0.00 H new ATOM 0 HB THR A 49 8.465 -6.031 -6.271 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.117 -4.462 -5.721 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.915 -5.466 -3.912 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.449 -7.173 -4.102 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.157 -6.739 -3.849 1.00 0.00 H new ATOM 773 N GLU A 50 7.979 -9.002 -5.632 1.00 0.00 N ATOM 774 CA GLU A 50 6.780 -9.822 -5.762 1.00 0.00 C ATOM 775 C GLU A 50 5.558 -9.089 -5.214 1.00 0.00 C ATOM 776 O GLU A 50 5.680 -8.202 -4.369 1.00 0.00 O ATOM 777 CB GLU A 50 6.962 -11.152 -5.029 1.00 0.00 C ATOM 778 CG GLU A 50 7.355 -12.301 -5.942 1.00 0.00 C ATOM 779 CD GLU A 50 6.292 -13.380 -6.014 1.00 0.00 C ATOM 780 OE1 GLU A 50 5.110 -13.034 -6.223 1.00 0.00 O ATOM 781 OE2 GLU A 50 6.641 -14.569 -5.861 1.00 0.00 O ATOM 0 H GLU A 50 8.283 -8.848 -4.670 1.00 0.00 H new ATOM 0 HA GLU A 50 6.619 -10.019 -6.822 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.726 -11.032 -4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.033 -11.406 -4.518 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.544 -11.915 -6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.288 -12.739 -5.587 1.00 0.00 H new ATOM 788 N VAL A 51 4.381 -9.467 -5.702 1.00 0.00 N ATOM 789 CA VAL A 51 3.137 -8.848 -5.261 1.00 0.00 C ATOM 790 C VAL A 51 2.914 -9.062 -3.768 1.00 0.00 C ATOM 791 O VAL A 51 2.116 -8.366 -3.141 1.00 0.00 O ATOM 792 CB VAL A 51 1.927 -9.406 -6.035 1.00 0.00 C ATOM 793 CG1 VAL A 51 0.686 -8.571 -5.759 1.00 0.00 C ATOM 794 CG2 VAL A 51 2.226 -9.456 -7.525 1.00 0.00 C ATOM 0 H VAL A 51 4.263 -10.199 -6.403 1.00 0.00 H new ATOM 0 HA VAL A 51 3.227 -7.780 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 51 1.735 -10.423 -5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.158 -8.980 -6.314 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.463 -8.592 -4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.862 -7.542 -6.073 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.361 -9.853 -8.057 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.445 -8.451 -7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.087 -10.100 -7.702 1.00 0.00 H new ATOM 804 N THR A 52 3.627 -10.032 -3.203 1.00 0.00 N ATOM 805 CA THR A 52 3.507 -10.340 -1.783 1.00 0.00 C ATOM 806 C THR A 52 4.502 -9.530 -0.960 1.00 0.00 C ATOM 807 O THR A 52 4.305 -9.321 0.237 1.00 0.00 O ATOM 808 CB THR A 52 3.734 -11.839 -1.513 1.00 0.00 C ATOM 809 OG1 THR A 52 3.722 -12.090 -0.103 1.00 0.00 O ATOM 810 CG2 THR A 52 5.057 -12.302 -2.104 1.00 0.00 C ATOM 0 H THR A 52 4.293 -10.617 -3.707 1.00 0.00 H new ATOM 0 HA THR A 52 2.492 -10.075 -1.486 1.00 0.00 H new ATOM 0 HB THR A 52 2.927 -12.397 -1.988 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.865 -13.046 0.060 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.195 -13.364 -1.900 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.052 -12.137 -3.181 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.874 -11.737 -1.654 1.00 0.00 H new ATOM 818 N GLU A 53 5.570 -9.077 -1.608 1.00 0.00 N ATOM 819 CA GLU A 53 6.596 -8.290 -0.934 1.00 0.00 C ATOM 820 C GLU A 53 6.049 -6.928 -0.516 1.00 0.00 C ATOM 821 O GLU A 53 6.562 -6.298 0.409 1.00 0.00 O ATOM 822 CB GLU A 53 7.811 -8.107 -1.845 1.00 0.00 C ATOM 823 CG GLU A 53 9.134 -8.418 -1.166 1.00 0.00 C ATOM 824 CD GLU A 53 9.822 -9.632 -1.758 1.00 0.00 C ATOM 825 OE1 GLU A 53 10.456 -9.494 -2.825 1.00 0.00 O ATOM 826 OE2 GLU A 53 9.727 -10.721 -1.153 1.00 0.00 O ATOM 0 H GLU A 53 5.748 -9.241 -2.599 1.00 0.00 H new ATOM 0 HA GLU A 53 6.902 -8.830 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.700 -8.751 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.831 -7.079 -2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.793 -7.554 -1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.962 -8.585 -0.103 1.00 0.00 H new ATOM 833 N PHE A 54 5.006 -6.479 -1.206 1.00 0.00 N ATOM 834 CA PHE A 54 4.390 -5.191 -0.908 1.00 0.00 C ATOM 835 C PHE A 54 3.348 -5.329 0.198 1.00 0.00 C ATOM 836 O PHE A 54 2.908 -4.337 0.778 1.00 0.00 O ATOM 837 CB PHE A 54 3.741 -4.610 -2.166 1.00 0.00 C ATOM 838 CG PHE A 54 4.536 -4.851 -3.417 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.854 -4.431 -3.508 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.967 -5.498 -4.502 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.588 -4.651 -4.658 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.697 -5.722 -5.654 1.00 0.00 C ATOM 843 CZ PHE A 54 6.009 -5.297 -5.732 1.00 0.00 C ATOM 0 H PHE A 54 4.570 -6.988 -1.975 1.00 0.00 H new ATOM 0 HA PHE A 54 5.171 -4.513 -0.564 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.749 -5.044 -2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.605 -3.537 -2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.312 -3.926 -2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.941 -5.831 -4.447 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.614 -4.318 -4.717 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.242 -6.229 -6.492 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.581 -5.470 -6.632 1.00 0.00 H new ATOM 853 N ALA A 55 2.957 -6.567 0.483 1.00 0.00 N ATOM 854 CA ALA A 55 1.968 -6.836 1.520 1.00 0.00 C ATOM 855 C ALA A 55 2.589 -6.741 2.909 1.00 0.00 C ATOM 856 O ALA A 55 1.880 -6.693 3.915 1.00 0.00 O ATOM 857 CB ALA A 55 1.345 -8.209 1.311 1.00 0.00 C ATOM 0 H ALA A 55 3.310 -7.399 0.010 1.00 0.00 H new ATOM 0 HA ALA A 55 1.187 -6.079 1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.608 -8.397 2.092 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.857 -8.243 0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.122 -8.972 1.354 1.00 0.00 H new ATOM 863 N CYS A 56 3.916 -6.714 2.958 1.00 0.00 N ATOM 864 CA CYS A 56 4.633 -6.626 4.226 1.00 0.00 C ATOM 865 C CYS A 56 5.264 -5.248 4.398 1.00 0.00 C ATOM 866 O CYS A 56 5.831 -4.940 5.447 1.00 0.00 O ATOM 867 CB CYS A 56 5.712 -7.708 4.302 1.00 0.00 C ATOM 868 SG CYS A 56 7.139 -7.403 3.234 1.00 0.00 S ATOM 0 H CYS A 56 4.518 -6.752 2.135 1.00 0.00 H new ATOM 0 HA CYS A 56 3.916 -6.781 5.033 1.00 0.00 H new ATOM 0 HB2 CYS A 56 6.055 -7.792 5.333 1.00 0.00 H new ATOM 0 HB3 CYS A 56 5.269 -8.667 4.034 1.00 0.00 H new ATOM 0 HG CYS A 56 6.734 -6.925 2.095 1.00 0.00 H new ATOM 874 N VAL A 57 5.164 -4.423 3.361 1.00 0.00 N ATOM 875 CA VAL A 57 5.725 -3.077 3.398 1.00 0.00 C ATOM 876 C VAL A 57 4.625 -2.025 3.479 1.00 0.00 C ATOM 877 O VAL A 57 4.838 -0.927 3.994 1.00 0.00 O ATOM 878 CB VAL A 57 6.597 -2.799 2.159 1.00 0.00 C ATOM 879 CG1 VAL A 57 5.726 -2.531 0.942 1.00 0.00 C ATOM 880 CG2 VAL A 57 7.536 -1.631 2.420 1.00 0.00 C ATOM 0 H VAL A 57 4.700 -4.663 2.485 1.00 0.00 H new ATOM 0 HA VAL A 57 6.346 -3.017 4.291 1.00 0.00 H new ATOM 0 HB VAL A 57 7.201 -3.683 1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.360 -2.337 0.077 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.099 -3.401 0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.094 -1.663 1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.145 -1.448 1.534 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.953 -0.739 2.649 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.185 -1.867 3.264 1.00 0.00 H new ATOM 890 N VAL A 58 3.448 -2.367 2.966 1.00 0.00 N ATOM 891 CA VAL A 58 2.313 -1.452 2.981 1.00 0.00 C ATOM 892 C VAL A 58 1.417 -1.708 4.188 1.00 0.00 C ATOM 893 O VAL A 58 0.572 -0.882 4.533 1.00 0.00 O ATOM 894 CB VAL A 58 1.473 -1.579 1.696 1.00 0.00 C ATOM 895 CG1 VAL A 58 0.357 -0.545 1.683 1.00 0.00 C ATOM 896 CG2 VAL A 58 2.357 -1.437 0.466 1.00 0.00 C ATOM 0 H VAL A 58 3.255 -3.271 2.535 1.00 0.00 H new ATOM 0 HA VAL A 58 2.720 -0.443 3.042 1.00 0.00 H new ATOM 0 HB VAL A 58 1.018 -2.569 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.226 -0.650 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.291 -0.699 2.546 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.787 0.455 1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.747 -1.529 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.842 -0.461 0.477 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.116 -2.219 0.471 1.00 0.00 H new ATOM 906 N ALA A 59 1.607 -2.858 4.826 1.00 0.00 N ATOM 907 CA ALA A 59 0.818 -3.222 5.996 1.00 0.00 C ATOM 908 C ALA A 59 1.482 -2.735 7.279 1.00 0.00 C ATOM 909 O ALA A 59 0.967 -2.952 8.376 1.00 0.00 O ATOM 910 CB ALA A 59 0.611 -4.729 6.046 1.00 0.00 C ATOM 0 H ALA A 59 2.301 -3.554 4.552 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.154 -2.735 5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.020 -4.986 6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.086 -5.054 5.148 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.579 -5.228 6.101 1.00 0.00 H new ATOM 916 N GLU A 60 2.627 -2.076 7.134 1.00 0.00 N ATOM 917 CA GLU A 60 3.361 -1.559 8.283 1.00 0.00 C ATOM 918 C GLU A 60 3.366 -0.033 8.284 1.00 0.00 C ATOM 919 O GLU A 60 3.343 0.597 9.341 1.00 0.00 O ATOM 920 CB GLU A 60 4.799 -2.085 8.276 1.00 0.00 C ATOM 921 CG GLU A 60 5.619 -1.597 7.094 1.00 0.00 C ATOM 922 CD GLU A 60 7.056 -2.081 7.142 1.00 0.00 C ATOM 923 OE1 GLU A 60 7.295 -3.261 6.810 1.00 0.00 O ATOM 924 OE2 GLU A 60 7.940 -1.280 7.512 1.00 0.00 O ATOM 0 H GLU A 60 3.066 -1.888 6.233 1.00 0.00 H new ATOM 0 HA GLU A 60 2.860 -1.904 9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.292 -1.782 9.200 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.778 -3.175 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.155 -1.939 6.169 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.607 -0.507 7.073 1.00 0.00 H new ATOM 931 N ALA A 61 3.397 0.553 7.093 1.00 0.00 N ATOM 932 CA ALA A 61 3.404 2.004 6.955 1.00 0.00 C ATOM 933 C ALA A 61 1.993 2.572 7.061 1.00 0.00 C ATOM 934 O ALA A 61 1.790 3.782 6.958 1.00 0.00 O ATOM 935 CB ALA A 61 4.039 2.407 5.632 1.00 0.00 C ATOM 0 H ALA A 61 3.418 0.045 6.209 1.00 0.00 H new ATOM 0 HA ALA A 61 3.997 2.418 7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.037 3.493 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.065 2.042 5.595 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.470 1.975 4.809 1.00 0.00 H new ATOM 941 N VAL A 62 1.019 1.691 7.268 1.00 0.00 N ATOM 942 CA VAL A 62 -0.374 2.105 7.388 1.00 0.00 C ATOM 943 C VAL A 62 -0.815 2.130 8.847 1.00 0.00 C ATOM 944 O VAL A 62 -1.609 2.979 9.253 1.00 0.00 O ATOM 945 CB VAL A 62 -1.308 1.170 6.597 1.00 0.00 C ATOM 946 CG1 VAL A 62 -1.131 1.381 5.101 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.052 -0.281 6.973 1.00 0.00 C ATOM 0 H VAL A 62 1.169 0.686 7.356 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.443 3.110 6.973 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.339 1.411 6.855 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.799 0.712 4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.369 2.414 4.849 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.099 1.168 4.823 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.721 -0.928 6.405 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.018 -0.539 6.745 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.234 -0.418 8.039 1.00 0.00 H new ATOM 957 N VAL A 63 -0.296 1.192 9.633 1.00 0.00 N ATOM 958 CA VAL A 63 -0.635 1.107 11.049 1.00 0.00 C ATOM 959 C VAL A 63 -0.233 2.378 11.788 1.00 0.00 C ATOM 960 O VAL A 63 -1.084 3.112 12.292 1.00 0.00 O ATOM 961 CB VAL A 63 0.049 -0.100 11.718 1.00 0.00 C ATOM 962 CG1 VAL A 63 -0.249 -0.124 13.209 1.00 0.00 C ATOM 963 CG2 VAL A 63 -0.393 -1.397 11.057 1.00 0.00 C ATOM 0 H VAL A 63 0.361 0.480 9.313 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.716 0.982 11.108 1.00 0.00 H new ATOM 0 HB VAL A 63 1.127 -0.002 11.589 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.243 -0.984 13.664 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.122 0.792 13.669 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.325 -0.198 13.364 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.100 -2.239 11.542 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.473 -1.505 11.153 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.123 -1.378 10.001 1.00 0.00 H new ATOM 973 N LYS A 64 1.069 2.635 11.848 1.00 0.00 N ATOM 974 CA LYS A 64 1.585 3.819 12.524 1.00 0.00 C ATOM 975 C LYS A 64 0.954 5.087 11.958 1.00 0.00 C ATOM 976 O LYS A 64 0.880 6.113 12.636 1.00 0.00 O ATOM 977 CB LYS A 64 3.108 3.889 12.383 1.00 0.00 C ATOM 978 CG LYS A 64 3.591 3.780 10.948 1.00 0.00 C ATOM 979 CD LYS A 64 4.669 2.720 10.801 1.00 0.00 C ATOM 980 CE LYS A 64 5.989 3.178 11.403 1.00 0.00 C ATOM 981 NZ LYS A 64 7.029 2.115 11.336 1.00 0.00 N ATOM 0 H LYS A 64 1.787 2.039 11.436 1.00 0.00 H new ATOM 0 HA LYS A 64 1.326 3.745 13.580 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.461 4.830 12.806 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.556 3.088 12.970 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.750 3.538 10.298 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.980 4.744 10.620 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.345 1.801 11.289 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.811 2.488 9.745 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.341 4.064 10.874 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.833 3.468 12.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.913 2.467 11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.705 1.278 11.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.197 1.856 10.343 1.00 0.00 H new ATOM 995 N THR A 65 0.497 5.011 10.712 1.00 0.00 N ATOM 996 CA THR A 65 -0.129 6.151 10.056 1.00 0.00 C ATOM 997 C THR A 65 -1.605 6.255 10.422 1.00 0.00 C ATOM 998 O THR A 65 -2.193 7.336 10.371 1.00 0.00 O ATOM 999 CB THR A 65 0.003 6.060 8.524 1.00 0.00 C ATOM 1000 OG1 THR A 65 1.386 6.052 8.151 1.00 0.00 O ATOM 1001 CG2 THR A 65 -0.702 7.227 7.849 1.00 0.00 C ATOM 0 H THR A 65 0.549 4.170 10.137 1.00 0.00 H new ATOM 0 HA THR A 65 0.393 7.042 10.406 1.00 0.00 H new ATOM 0 HB THR A 65 -0.467 5.133 8.196 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.597 5.211 7.695 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.595 7.141 6.768 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.760 7.214 8.111 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.257 8.164 8.184 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.198 5.125 10.792 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.607 5.089 11.168 1.00 0.00 C ATOM 1011 C LEU A 66 -3.768 4.743 12.645 1.00 0.00 C ATOM 1012 O LEU A 66 -4.527 3.842 13.001 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.358 4.071 10.309 1.00 0.00 C ATOM 1014 CG LEU A 66 -4.875 4.579 8.963 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -6.196 5.313 9.141 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -3.845 5.485 8.304 1.00 0.00 C ATOM 0 H LEU A 66 -1.725 4.222 10.840 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.029 6.080 10.998 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.698 3.223 10.125 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.206 3.696 10.883 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.044 3.721 8.313 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.549 5.667 8.172 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.934 4.635 9.570 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.053 6.163 9.808 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.230 5.837 7.347 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.644 6.339 8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.922 4.928 8.141 1.00 0.00 H new ATOM 1028 N GLN A 67 -3.049 5.465 13.498 1.00 0.00 N ATOM 1029 CA GLN A 67 -3.114 5.235 14.937 1.00 0.00 C ATOM 1030 C GLN A 67 -3.419 6.529 15.683 1.00 0.00 C ATOM 1031 O GLN A 67 -2.916 6.776 16.779 1.00 0.00 O ATOM 1032 CB GLN A 67 -1.797 4.641 15.439 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.700 3.134 15.258 1.00 0.00 C ATOM 1034 CD GLN A 67 -1.533 2.398 16.572 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -2.488 1.833 17.106 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -0.315 2.400 17.101 1.00 0.00 N ATOM 0 H GLN A 67 -2.415 6.214 13.218 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.921 4.528 15.130 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.970 5.116 14.912 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.680 4.880 16.496 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.598 2.774 14.756 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.857 2.904 14.607 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.447 2.881 16.624 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.142 1.920 17.984 1.00 0.00 H new ATOM 1045 N PRO A 68 -4.262 7.378 15.076 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.653 8.662 15.665 1.00 0.00 C ATOM 1047 C PRO A 68 -5.549 8.491 16.887 1.00 0.00 C ATOM 1048 O PRO A 68 -5.314 9.097 17.932 1.00 0.00 O ATOM 1049 CB PRO A 68 -5.418 9.353 14.533 1.00 0.00 C ATOM 1050 CG PRO A 68 -5.931 8.240 13.688 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.899 7.149 13.768 1.00 0.00 C ATOM 0 HA PRO A 68 -3.791 9.226 16.022 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.233 9.963 14.921 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.767 10.016 13.962 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.898 7.890 14.049 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.075 8.566 12.658 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.354 6.160 13.710 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.179 7.217 12.953 1.00 0.00 H new ATOM 1059 N VAL A 69 -6.578 7.660 16.749 1.00 0.00 N ATOM 1060 CA VAL A 69 -7.509 7.407 17.842 1.00 0.00 C ATOM 1061 C VAL A 69 -8.169 6.041 17.697 1.00 0.00 C ATOM 1062 O VAL A 69 -9.375 5.944 17.469 1.00 0.00 O ATOM 1063 CB VAL A 69 -8.602 8.489 17.909 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -8.074 9.742 18.592 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -9.120 8.811 16.515 1.00 0.00 C ATOM 0 H VAL A 69 -6.788 7.151 15.890 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.928 7.430 18.764 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.432 8.104 18.501 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.861 10.495 18.630 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.757 9.498 19.606 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.225 10.132 18.030 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.892 9.578 16.582 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.299 9.175 15.897 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.540 7.911 16.066 1.00 0.00 H new ATOM 1075 N SER A 70 -7.371 4.987 17.830 1.00 0.00 N ATOM 1076 CA SER A 70 -7.877 3.624 17.711 1.00 0.00 C ATOM 1077 C SER A 70 -8.744 3.260 18.912 1.00 0.00 C ATOM 1078 O SER A 70 -9.420 2.230 18.914 1.00 0.00 O ATOM 1079 CB SER A 70 -6.717 2.635 17.586 1.00 0.00 C ATOM 1080 OG SER A 70 -5.588 3.079 18.320 1.00 0.00 O ATOM 0 H SER A 70 -6.371 5.050 18.020 1.00 0.00 H new ATOM 0 HA SER A 70 -8.490 3.568 16.812 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.029 1.656 17.949 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.448 2.515 16.536 1.00 0.00 H new ATOM 0 HG SER A 70 -4.860 2.429 18.226 1.00 0.00 H new ATOM 1086 N ASP A 71 -8.720 4.111 19.931 1.00 0.00 N ATOM 1087 CA ASP A 71 -9.504 3.881 21.139 1.00 0.00 C ATOM 1088 C ASP A 71 -10.997 3.999 20.848 1.00 0.00 C ATOM 1089 O ASP A 71 -11.832 3.613 21.667 1.00 0.00 O ATOM 1090 CB ASP A 71 -9.104 4.875 22.230 1.00 0.00 C ATOM 1091 CG ASP A 71 -7.617 4.844 22.525 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -7.033 3.740 22.514 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -7.037 5.923 22.767 1.00 0.00 O ATOM 0 H ASP A 71 -8.166 4.967 19.945 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.299 2.869 21.488 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.390 5.881 21.923 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.657 4.651 23.142 1.00 0.00 H new ATOM 1098 N LEU A 72 -11.326 4.536 19.679 1.00 0.00 N ATOM 1099 CA LEU A 72 -12.719 4.707 19.280 1.00 0.00 C ATOM 1100 C LEU A 72 -13.089 3.733 18.166 1.00 0.00 C ATOM 1101 O LEU A 72 -14.253 3.635 17.774 1.00 0.00 O ATOM 1102 CB LEU A 72 -12.965 6.145 18.820 1.00 0.00 C ATOM 1103 CG LEU A 72 -12.486 6.489 17.409 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -13.567 6.175 16.386 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -12.081 7.954 17.326 1.00 0.00 C ATOM 0 H LEU A 72 -10.647 4.861 18.990 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.348 4.497 20.145 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -14.035 6.346 18.878 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.475 6.819 19.523 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.613 5.877 17.184 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.208 6.426 15.388 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.810 5.113 16.427 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.459 6.760 16.608 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.743 8.181 16.315 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.937 8.583 17.572 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.273 8.149 18.031 1.00 0.00 H new ATOM 1117 N LEU A 73 -12.093 3.014 17.660 1.00 0.00 N ATOM 1118 CA LEU A 73 -12.315 2.046 16.592 1.00 0.00 C ATOM 1119 C LEU A 73 -12.469 0.637 17.157 1.00 0.00 C ATOM 1120 O LEU A 73 -13.031 -0.246 16.509 1.00 0.00 O ATOM 1121 CB LEU A 73 -11.155 2.083 15.595 1.00 0.00 C ATOM 1122 CG LEU A 73 -10.730 3.470 15.111 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -9.387 3.399 14.402 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -11.790 4.063 14.194 1.00 0.00 C ATOM 0 H LEU A 73 -11.124 3.083 17.972 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.238 2.314 16.078 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.292 1.600 16.054 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.430 1.485 14.726 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.625 4.121 15.979 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.101 4.395 14.065 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.632 3.018 15.090 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.464 2.733 13.543 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.471 5.050 13.859 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -11.928 3.414 13.329 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.732 4.151 14.736 1.00 0.00 H new ATOM 1136 N THR A 74 -11.967 0.434 18.372 1.00 0.00 N ATOM 1137 CA THR A 74 -12.050 -0.866 19.025 1.00 0.00 C ATOM 1138 C THR A 74 -13.411 -1.066 19.681 1.00 0.00 C ATOM 1139 O THR A 74 -13.672 -2.104 20.288 1.00 0.00 O ATOM 1140 CB THR A 74 -10.950 -1.030 20.091 1.00 0.00 C ATOM 1141 OG1 THR A 74 -9.840 -0.180 19.784 1.00 0.00 O ATOM 1142 CG2 THR A 74 -10.483 -2.475 20.169 1.00 0.00 C ATOM 0 H THR A 74 -11.499 1.154 18.923 1.00 0.00 H new ATOM 0 HA THR A 74 -11.910 -1.619 18.249 1.00 0.00 H new ATOM 0 HB THR A 74 -11.367 -0.747 21.058 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.120 0.757 19.843 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.706 -2.566 20.928 1.00 0.00 H new ATOM 0 HG22 THR A 74 -11.325 -3.116 20.432 1.00 0.00 H new ATOM 0 HG23 THR A 74 -10.083 -2.781 19.202 1.00 0.00 H new ATOM 1150 N ASN A 75 -14.277 -0.065 19.555 1.00 0.00 N ATOM 1151 CA ASN A 75 -15.613 -0.132 20.136 1.00 0.00 C ATOM 1152 C ASN A 75 -16.675 -0.240 19.046 1.00 0.00 C ATOM 1153 O ASN A 75 -17.870 -0.297 19.334 1.00 0.00 O ATOM 1154 CB ASN A 75 -15.878 1.102 21.001 1.00 0.00 C ATOM 1155 CG ASN A 75 -15.102 2.317 20.528 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -13.879 2.375 20.656 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -15.812 3.295 19.978 1.00 0.00 N ATOM 0 H ASN A 75 -14.077 0.802 19.056 1.00 0.00 H new ATOM 0 HA ASN A 75 -15.666 -1.024 20.761 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -16.944 1.328 20.990 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -15.610 0.882 22.034 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -15.345 4.137 19.641 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -16.824 3.204 19.892 1.00 0.00 H new ATOM 1164 N MET A 76 -16.230 -0.270 17.795 1.00 0.00 N ATOM 1165 CA MET A 76 -17.143 -0.374 16.662 1.00 0.00 C ATOM 1166 C MET A 76 -16.909 -1.671 15.893 1.00 0.00 C ATOM 1167 O MET A 76 -17.814 -2.188 15.240 1.00 0.00 O ATOM 1168 CB MET A 76 -16.969 0.825 15.728 1.00 0.00 C ATOM 1169 CG MET A 76 -15.537 1.027 15.258 1.00 0.00 C ATOM 1170 SD MET A 76 -15.426 2.092 13.807 1.00 0.00 S ATOM 1171 CE MET A 76 -15.175 3.689 14.577 1.00 0.00 C ATOM 0 H MET A 76 -15.244 -0.224 17.539 1.00 0.00 H new ATOM 0 HA MET A 76 -18.162 -0.380 17.048 1.00 0.00 H new ATOM 0 HB2 MET A 76 -17.613 0.694 14.858 1.00 0.00 H new ATOM 0 HB3 MET A 76 -17.305 1.726 16.241 1.00 0.00 H new ATOM 0 HG2 MET A 76 -14.951 1.461 16.068 1.00 0.00 H new ATOM 0 HG3 MET A 76 -15.094 0.058 15.027 1.00 0.00 H new ATOM 0 HE1 MET A 76 -14.569 4.317 13.924 1.00 0.00 H new ATOM 0 HE2 MET A 76 -16.140 4.167 14.747 1.00 0.00 H new ATOM 0 HE3 MET A 76 -14.663 3.557 15.530 1.00 0.00 H new ATOM 1181 N GLY A 77 -15.688 -2.190 15.975 1.00 0.00 N ATOM 1182 CA GLY A 77 -15.358 -3.422 15.281 1.00 0.00 C ATOM 1183 C GLY A 77 -14.098 -3.298 14.448 1.00 0.00 C ATOM 1184 O GLY A 77 -13.696 -4.247 13.774 1.00 0.00 O ATOM 0 H GLY A 77 -14.922 -1.780 16.509 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -15.231 -4.223 16.009 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.190 -3.706 14.636 1.00 0.00 H new ATOM 1188 N ILE A 78 -13.474 -2.125 14.491 1.00 0.00 N ATOM 1189 CA ILE A 78 -12.253 -1.881 13.734 1.00 0.00 C ATOM 1190 C ILE A 78 -11.032 -1.872 14.647 1.00 0.00 C ATOM 1191 O ILE A 78 -10.799 -0.910 15.379 1.00 0.00 O ATOM 1192 CB ILE A 78 -12.321 -0.544 12.972 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -13.414 -0.596 11.903 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.973 -0.224 12.343 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -13.563 0.694 11.128 1.00 0.00 C ATOM 0 H ILE A 78 -13.795 -1.329 15.042 1.00 0.00 H new ATOM 0 HA ILE A 78 -12.159 -2.695 13.015 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.568 0.248 13.679 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -13.192 -1.405 11.207 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.365 -0.837 12.379 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.037 0.724 11.808 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -10.216 -0.150 13.123 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.699 -1.016 11.646 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.356 0.584 10.388 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.816 1.503 11.813 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.625 0.926 10.624 1.00 0.00 H new ATOM 1207 N ASP A 79 -10.255 -2.948 14.597 1.00 0.00 N ATOM 1208 CA ASP A 79 -9.055 -3.064 15.418 1.00 0.00 C ATOM 1209 C ASP A 79 -7.822 -2.610 14.644 1.00 0.00 C ATOM 1210 O ASP A 79 -7.640 -2.967 13.479 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.873 -4.506 15.892 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.652 -4.600 17.389 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -7.714 -3.947 17.892 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -9.416 -5.328 18.057 1.00 0.00 O ATOM 0 H ASP A 79 -10.434 -3.753 13.997 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.175 -2.417 16.287 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.753 -5.088 15.620 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.024 -4.951 15.374 1.00 0.00 H new ATOM 1219 N LEU A 80 -6.977 -1.820 15.298 1.00 0.00 N ATOM 1220 CA LEU A 80 -5.760 -1.315 14.671 1.00 0.00 C ATOM 1221 C LEU A 80 -4.588 -2.258 14.920 1.00 0.00 C ATOM 1222 O LEU A 80 -3.713 -2.415 14.068 1.00 0.00 O ATOM 1223 CB LEU A 80 -5.429 0.080 15.204 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.868 1.072 14.185 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -3.506 0.614 13.688 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -5.833 1.244 13.020 1.00 0.00 C ATOM 0 H LEU A 80 -7.112 -1.515 16.262 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.932 -1.255 13.596 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.334 0.506 15.636 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.708 -0.024 16.015 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.747 2.038 14.676 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.123 1.333 12.964 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.816 0.544 14.529 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.601 -0.363 13.214 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.417 1.954 12.305 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.987 0.283 12.530 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.787 1.619 13.390 1.00 0.00 H new ATOM 1238 N ASP A 81 -4.579 -2.886 16.091 1.00 0.00 N ATOM 1239 CA ASP A 81 -3.516 -3.817 16.451 1.00 0.00 C ATOM 1240 C ASP A 81 -3.567 -5.065 15.575 1.00 0.00 C ATOM 1241 O ASP A 81 -2.569 -5.769 15.423 1.00 0.00 O ATOM 1242 CB ASP A 81 -3.629 -4.208 17.925 1.00 0.00 C ATOM 1243 CG ASP A 81 -2.600 -3.507 18.791 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -2.706 -2.274 18.956 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -1.689 -4.192 19.302 1.00 0.00 O ATOM 0 H ASP A 81 -5.296 -2.767 16.807 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.560 -3.319 16.288 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.629 -3.967 18.286 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.507 -5.287 18.022 1.00 0.00 H new ATOM 1250 N GLU A 82 -4.737 -5.333 15.003 1.00 0.00 N ATOM 1251 CA GLU A 82 -4.918 -6.498 14.145 1.00 0.00 C ATOM 1252 C GLU A 82 -4.357 -6.238 12.750 1.00 0.00 C ATOM 1253 O GLU A 82 -3.898 -7.157 12.072 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.400 -6.865 14.051 1.00 0.00 C ATOM 1255 CG GLU A 82 -7.158 -6.070 13.001 1.00 0.00 C ATOM 1256 CD GLU A 82 -8.657 -6.080 13.232 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -9.130 -6.917 14.028 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -9.357 -5.248 12.616 1.00 0.00 O ATOM 0 H GLU A 82 -5.573 -4.760 15.118 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.373 -7.332 14.588 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.489 -7.927 13.825 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.867 -6.706 15.023 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.801 -5.040 13.002 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.943 -6.481 12.014 1.00 0.00 H new ATOM 1265 N TRP A 83 -4.400 -4.979 12.327 1.00 0.00 N ATOM 1266 CA TRP A 83 -3.897 -4.597 11.012 1.00 0.00 C ATOM 1267 C TRP A 83 -2.477 -5.109 10.803 1.00 0.00 C ATOM 1268 O TRP A 83 -2.128 -5.575 9.718 1.00 0.00 O ATOM 1269 CB TRP A 83 -3.934 -3.077 10.852 1.00 0.00 C ATOM 1270 CG TRP A 83 -5.313 -2.536 10.626 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.494 -3.190 10.833 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -5.654 -1.230 10.149 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.549 -2.370 10.513 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -7.060 -1.161 10.091 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -4.909 -0.111 9.766 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -7.732 -0.019 9.666 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -5.578 1.022 9.344 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -6.978 1.062 9.297 1.00 0.00 C ATOM 0 H TRP A 83 -4.778 -4.206 12.875 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.540 -5.050 10.258 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.512 -2.615 11.744 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.298 -2.792 10.014 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.585 -4.203 11.195 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.536 -2.620 10.579 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -3.830 -0.132 9.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -8.811 0.013 9.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.012 1.892 9.045 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.471 1.963 8.963 1.00 0.00 H new ATOM 1289 N SER A 84 -1.660 -5.021 11.848 1.00 0.00 N ATOM 1290 CA SER A 84 -0.275 -5.472 11.776 1.00 0.00 C ATOM 1291 C SER A 84 -0.203 -6.995 11.716 1.00 0.00 C ATOM 1292 O SER A 84 0.672 -7.561 11.061 1.00 0.00 O ATOM 1293 CB SER A 84 0.513 -4.960 12.983 1.00 0.00 C ATOM 1294 OG SER A 84 0.410 -5.855 14.077 1.00 0.00 O ATOM 0 H SER A 84 -1.933 -4.642 12.754 1.00 0.00 H new ATOM 0 HA SER A 84 0.167 -5.068 10.865 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.561 -4.834 12.710 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.139 -3.979 13.276 1.00 0.00 H new ATOM 0 HG SER A 84 -0.481 -5.781 14.478 1.00 0.00 H new ATOM 1300 N VAL A 85 -1.130 -7.653 12.406 1.00 0.00 N ATOM 1301 CA VAL A 85 -1.173 -9.110 12.431 1.00 0.00 C ATOM 1302 C VAL A 85 -2.347 -9.639 11.616 1.00 0.00 C ATOM 1303 O VAL A 85 -3.005 -10.602 12.010 1.00 0.00 O ATOM 1304 CB VAL A 85 -1.280 -9.643 13.872 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -0.085 -9.194 14.699 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -2.583 -9.188 14.513 1.00 0.00 C ATOM 0 H VAL A 85 -1.861 -7.200 12.955 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.241 -9.462 11.990 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.279 -10.732 13.838 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.179 -9.581 15.714 1.00 0.00 H new ATOM 0 HG12 VAL A 85 0.832 -9.574 14.249 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.051 -8.105 14.727 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.642 -9.574 15.531 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.617 -8.099 14.535 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.425 -9.565 13.933 1.00 0.00 H new ATOM 1316 N ALA A 86 -2.605 -9.003 10.478 1.00 0.00 N ATOM 1317 CA ALA A 86 -3.699 -9.412 9.606 1.00 0.00 C ATOM 1318 C ALA A 86 -3.187 -9.773 8.215 1.00 0.00 C ATOM 1319 O ALA A 86 -2.009 -9.587 7.908 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.742 -8.308 9.516 1.00 0.00 C ATOM 0 H ALA A 86 -2.071 -8.203 10.139 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.161 -10.300 10.036 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.553 -8.627 8.862 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.138 -8.100 10.510 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.283 -7.406 9.112 1.00 0.00 H new ATOM 1326 N THR A 87 -4.079 -10.291 7.377 1.00 0.00 N ATOM 1327 CA THR A 87 -3.717 -10.680 6.020 1.00 0.00 C ATOM 1328 C THR A 87 -4.030 -9.567 5.027 1.00 0.00 C ATOM 1329 O THR A 87 -5.193 -9.285 4.741 1.00 0.00 O ATOM 1330 CB THR A 87 -4.455 -11.961 5.587 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.520 -12.883 6.681 1.00 0.00 O ATOM 1332 CG2 THR A 87 -3.755 -12.616 4.406 1.00 0.00 C ATOM 0 H THR A 87 -5.058 -10.451 7.614 1.00 0.00 H new ATOM 0 HA THR A 87 -2.644 -10.871 6.022 1.00 0.00 H new ATOM 0 HB THR A 87 -5.465 -11.687 5.283 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.992 -13.694 6.398 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.294 -13.518 4.118 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.734 -11.922 3.565 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.735 -12.877 4.687 1.00 0.00 H new ATOM 1340 N PHE A 88 -2.983 -8.937 4.503 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.147 -7.853 3.541 1.00 0.00 C ATOM 1342 C PHE A 88 -3.088 -8.381 2.111 1.00 0.00 C ATOM 1343 O PHE A 88 -2.130 -9.051 1.724 1.00 0.00 O ATOM 1344 CB PHE A 88 -2.065 -6.791 3.749 1.00 0.00 C ATOM 1345 CG PHE A 88 -2.469 -5.702 4.701 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -3.090 -6.008 5.901 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -2.227 -4.372 4.396 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -3.463 -5.008 6.780 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -2.597 -3.368 5.271 1.00 0.00 C ATOM 1350 CZ PHE A 88 -3.217 -3.686 6.464 1.00 0.00 C ATOM 0 H PHE A 88 -2.013 -9.158 4.728 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.126 -7.402 3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.162 -7.273 4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -1.814 -6.346 2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.285 -7.040 6.153 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.744 -4.117 3.464 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -3.946 -5.260 7.712 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -2.402 -2.335 5.022 1.00 0.00 H new ATOM 0 HZ PHE A 88 -3.509 -2.903 7.148 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.120 -8.076 1.332 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.189 -8.523 -0.054 1.00 0.00 C ATOM 1362 C TYR A 89 -4.184 -7.334 -1.010 1.00 0.00 C ATOM 1363 O TYR A 89 -4.604 -6.232 -0.653 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.445 -9.367 -0.279 1.00 0.00 C ATOM 1365 CG TYR A 89 -5.401 -10.712 0.410 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -4.676 -11.767 -0.129 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -6.085 -10.927 1.601 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -4.635 -12.998 0.497 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -6.048 -12.154 2.234 1.00 0.00 C ATOM 1370 CZ TYR A 89 -5.322 -13.187 1.678 1.00 0.00 C ATOM 1371 OH TYR A 89 -5.282 -14.411 2.305 1.00 0.00 O ATOM 0 H TYR A 89 -4.920 -7.521 1.637 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.309 -9.133 -0.256 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.313 -8.813 0.078 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.583 -9.521 -1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.135 -11.623 -1.053 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.655 -10.121 2.039 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.068 -13.808 0.064 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.585 -12.304 3.159 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.428 -14.850 2.111 1.00 0.00 H new ATOM 1381 N LEU A 90 -3.706 -7.565 -2.228 1.00 0.00 N ATOM 1382 CA LEU A 90 -3.646 -6.514 -3.239 1.00 0.00 C ATOM 1383 C LEU A 90 -4.154 -7.023 -4.584 1.00 0.00 C ATOM 1384 O LEU A 90 -3.915 -8.172 -4.956 1.00 0.00 O ATOM 1385 CB LEU A 90 -2.213 -5.999 -3.383 1.00 0.00 C ATOM 1386 CG LEU A 90 -1.616 -5.321 -2.149 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -0.375 -6.065 -1.679 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -1.287 -3.866 -2.447 1.00 0.00 C ATOM 0 H LEU A 90 -3.354 -8.470 -2.540 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.289 -5.695 -2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.573 -6.837 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.184 -5.291 -4.211 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.356 -5.349 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.036 -5.568 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.640 -7.091 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.370 -6.069 -2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.863 -3.399 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.565 -3.816 -3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.197 -3.339 -2.735 1.00 0.00 H new ATOM 1400 N PHE A 91 -4.854 -6.158 -5.311 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.395 -6.519 -6.617 1.00 0.00 C ATOM 1402 C PHE A 91 -5.173 -5.397 -7.627 1.00 0.00 C ATOM 1403 O PHE A 91 -4.584 -4.365 -7.304 1.00 0.00 O ATOM 1404 CB PHE A 91 -6.889 -6.832 -6.505 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.198 -8.301 -6.548 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -6.919 -9.049 -7.680 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -7.768 -8.935 -5.455 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -7.203 -10.401 -7.722 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -8.055 -10.286 -5.491 1.00 0.00 C ATOM 1410 CZ PHE A 91 -7.771 -11.021 -6.626 1.00 0.00 C ATOM 0 H PHE A 91 -5.060 -5.203 -5.018 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.870 -7.408 -6.967 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.270 -6.416 -5.573 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.418 -6.333 -7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.474 -8.570 -8.540 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.990 -8.366 -4.564 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.981 -10.972 -8.611 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.501 -10.767 -4.633 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.993 -12.078 -6.656 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.648 -5.608 -8.849 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.503 -4.615 -9.907 1.00 0.00 C ATOM 1422 C ASP A 92 -6.860 -4.249 -10.500 1.00 0.00 C ATOM 1423 O ASP A 92 -7.904 -4.604 -9.951 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.578 -5.140 -11.006 1.00 0.00 C ATOM 1425 CG ASP A 92 -3.417 -4.205 -11.282 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -2.836 -3.678 -10.310 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -3.089 -4.000 -12.469 1.00 0.00 O ATOM 0 H ASP A 92 -6.137 -6.457 -9.132 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.064 -3.718 -9.470 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.192 -6.117 -10.716 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.151 -5.283 -11.922 1.00 0.00 H new ATOM 1432 N ASP A 93 -6.838 -3.537 -11.621 1.00 0.00 N ATOM 1433 CA ASP A 93 -8.067 -3.123 -12.288 1.00 0.00 C ATOM 1434 C ASP A 93 -8.643 -4.264 -13.122 1.00 0.00 C ATOM 1435 O ASP A 93 -9.806 -4.226 -13.523 1.00 0.00 O ATOM 1436 CB ASP A 93 -7.804 -1.907 -13.178 1.00 0.00 C ATOM 1437 CG ASP A 93 -8.719 -0.743 -12.852 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -9.898 -0.783 -13.261 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -8.256 0.208 -12.187 1.00 0.00 O ATOM 0 H ASP A 93 -5.983 -3.234 -12.087 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.794 -2.853 -11.522 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.767 -1.593 -13.063 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.937 -2.189 -14.222 1.00 0.00 H new ATOM 1444 N ALA A 94 -7.821 -5.276 -13.379 1.00 0.00 N ATOM 1445 CA ALA A 94 -8.250 -6.427 -14.163 1.00 0.00 C ATOM 1446 C ALA A 94 -8.666 -7.583 -13.260 1.00 0.00 C ATOM 1447 O ALA A 94 -9.021 -8.660 -13.737 1.00 0.00 O ATOM 1448 CB ALA A 94 -7.139 -6.866 -15.107 1.00 0.00 C ATOM 0 H ALA A 94 -6.855 -5.322 -13.056 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.118 -6.131 -14.752 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.473 -7.727 -15.687 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.891 -6.047 -15.783 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -6.256 -7.139 -14.528 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.620 -7.352 -11.951 1.00 0.00 N ATOM 1455 CA GLY A 95 -8.994 -8.384 -11.002 1.00 0.00 C ATOM 1456 C GLY A 95 -7.903 -9.417 -10.809 1.00 0.00 C ATOM 1457 O GLY A 95 -8.185 -10.581 -10.526 1.00 0.00 O ATOM 0 H GLY A 95 -8.330 -6.469 -11.531 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.228 -7.923 -10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -9.902 -8.879 -11.347 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.653 -8.992 -10.964 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.516 -9.891 -10.807 1.00 0.00 C ATOM 1463 C GLU A 96 -4.481 -9.299 -9.854 1.00 0.00 C ATOM 1464 O GLU A 96 -4.474 -8.094 -9.601 1.00 0.00 O ATOM 1465 CB GLU A 96 -4.870 -10.176 -12.165 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.288 -8.941 -12.832 1.00 0.00 C ATOM 1467 CD GLU A 96 -3.598 -9.258 -14.145 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -3.380 -10.456 -14.425 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -3.276 -8.310 -14.891 1.00 0.00 O ATOM 0 H GLU A 96 -6.402 -8.031 -11.198 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.882 -10.826 -10.383 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.079 -10.915 -12.034 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.614 -10.619 -12.826 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.085 -8.219 -13.010 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.575 -8.469 -12.156 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.610 -10.155 -9.329 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.573 -9.716 -8.403 1.00 0.00 C ATOM 1478 C GLU A 97 -1.399 -9.094 -9.155 1.00 0.00 C ATOM 1479 O GLU A 97 -0.407 -9.763 -9.440 1.00 0.00 O ATOM 1480 CB GLU A 97 -2.083 -10.893 -7.556 1.00 0.00 C ATOM 1481 CG GLU A 97 -2.504 -10.809 -6.098 1.00 0.00 C ATOM 1482 CD GLU A 97 -2.900 -12.157 -5.527 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -3.967 -12.675 -5.917 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -2.143 -12.693 -4.691 1.00 0.00 O ATOM 0 H GLU A 97 -3.602 -11.155 -9.529 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.004 -8.960 -7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.464 -11.821 -7.983 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.995 -10.941 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.684 -10.396 -5.510 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.342 -10.119 -6.005 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.522 -7.810 -9.474 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.473 -7.098 -10.195 1.00 0.00 C ATOM 1493 C ASN A 98 -0.025 -5.862 -9.421 1.00 0.00 C ATOM 1494 O ASN A 98 -0.708 -5.410 -8.501 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.966 -6.692 -11.585 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.635 -7.729 -12.641 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.186 -8.927 -12.486 1.00 0.00 O flip ATOM 1498 ND2 ASN A 98 0.106 -7.455 -13.585 1.00 0.00 N flip ATOM 0 H ASN A 98 -2.337 -7.241 -9.245 1.00 0.00 H new ATOM 0 HA ASN A 98 0.380 -7.768 -10.301 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.045 -6.540 -11.555 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.517 -5.738 -11.863 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.507 -6.521 -13.664 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.319 -8.162 -14.288 1.00 0.00 H new ATOM 1505 N PHE A 99 1.126 -5.318 -9.801 1.00 0.00 N ATOM 1506 CA PHE A 99 1.666 -4.134 -9.143 1.00 0.00 C ATOM 1507 C PHE A 99 1.826 -2.985 -10.135 1.00 0.00 C ATOM 1508 O PHE A 99 2.926 -2.471 -10.334 1.00 0.00 O ATOM 1509 CB PHE A 99 3.015 -4.455 -8.496 1.00 0.00 C ATOM 1510 CG PHE A 99 3.926 -5.261 -9.377 1.00 0.00 C ATOM 1511 CD1 PHE A 99 3.844 -6.644 -9.399 1.00 0.00 C ATOM 1512 CD2 PHE A 99 4.864 -4.636 -10.183 1.00 0.00 C ATOM 1513 CE1 PHE A 99 4.682 -7.388 -10.208 1.00 0.00 C ATOM 1514 CE2 PHE A 99 5.704 -5.375 -10.995 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.612 -6.753 -11.008 1.00 0.00 C ATOM 0 H PHE A 99 1.703 -5.678 -10.561 1.00 0.00 H new ATOM 0 HA PHE A 99 0.963 -3.827 -8.369 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.512 -3.522 -8.230 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.843 -5.001 -7.568 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.117 -7.146 -8.777 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.940 -3.559 -10.177 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.610 -8.466 -10.215 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.431 -4.876 -11.618 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.266 -7.333 -11.642 1.00 0.00 H new ATOM 1525 N SER A 100 0.719 -2.589 -10.755 1.00 0.00 N ATOM 1526 CA SER A 100 0.735 -1.505 -11.729 1.00 0.00 C ATOM 1527 C SER A 100 0.744 -0.147 -11.032 1.00 0.00 C ATOM 1528 O SER A 100 0.927 -0.062 -9.818 1.00 0.00 O ATOM 1529 CB SER A 100 -0.477 -1.606 -12.657 1.00 0.00 C ATOM 1530 OG SER A 100 -0.318 -0.779 -13.797 1.00 0.00 O ATOM 0 H SER A 100 -0.200 -3.003 -10.600 1.00 0.00 H new ATOM 0 HA SER A 100 1.646 -1.596 -12.321 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.613 -2.641 -12.971 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.378 -1.316 -12.116 1.00 0.00 H new ATOM 0 HG SER A 100 -1.105 -0.863 -14.375 1.00 0.00 H new ATOM 1536 N SER A 101 0.546 0.912 -11.810 1.00 0.00 N ATOM 1537 CA SER A 101 0.535 2.266 -11.270 1.00 0.00 C ATOM 1538 C SER A 101 -0.416 2.369 -10.081 1.00 0.00 C ATOM 1539 O SER A 101 -0.163 3.111 -9.132 1.00 0.00 O ATOM 1540 CB SER A 101 0.126 3.267 -12.352 1.00 0.00 C ATOM 1541 OG SER A 101 1.191 4.149 -12.660 1.00 0.00 O ATOM 0 H SER A 101 0.391 0.858 -12.817 1.00 0.00 H new ATOM 0 HA SER A 101 1.543 2.502 -10.929 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.178 2.731 -13.251 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.738 3.839 -12.014 1.00 0.00 H new ATOM 0 HG SER A 101 0.905 4.777 -13.355 1.00 0.00 H new ATOM 1547 N ARG A 102 -1.511 1.618 -10.141 1.00 0.00 N ATOM 1548 CA ARG A 102 -2.501 1.624 -9.071 1.00 0.00 C ATOM 1549 C ARG A 102 -2.701 0.221 -8.506 1.00 0.00 C ATOM 1550 O ARG A 102 -2.574 -0.771 -9.224 1.00 0.00 O ATOM 1551 CB ARG A 102 -3.833 2.174 -9.583 1.00 0.00 C ATOM 1552 CG ARG A 102 -4.943 2.148 -8.545 1.00 0.00 C ATOM 1553 CD ARG A 102 -6.192 2.856 -9.046 1.00 0.00 C ATOM 1554 NE ARG A 102 -5.899 4.196 -9.546 1.00 0.00 N ATOM 1555 CZ ARG A 102 -6.735 4.897 -10.304 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -7.910 4.388 -10.647 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -6.396 6.111 -10.720 1.00 0.00 N ATOM 0 H ARG A 102 -1.735 0.998 -10.919 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.132 2.268 -8.273 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.687 3.200 -9.920 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.146 1.594 -10.451 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -5.185 1.115 -8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.596 2.625 -7.628 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -6.650 2.265 -9.839 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -6.920 2.922 -8.237 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.003 4.617 -9.300 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -8.174 3.456 -10.329 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.550 4.929 -11.229 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.493 6.506 -10.458 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.038 6.649 -11.302 1.00 0.00 H new ATOM 1571 N MET A 103 -3.015 0.146 -7.217 1.00 0.00 N ATOM 1572 CA MET A 103 -3.233 -1.136 -6.557 1.00 0.00 C ATOM 1573 C MET A 103 -4.397 -1.050 -5.575 1.00 0.00 C ATOM 1574 O MET A 103 -4.556 -0.052 -4.872 1.00 0.00 O ATOM 1575 CB MET A 103 -1.965 -1.579 -5.825 1.00 0.00 C ATOM 1576 CG MET A 103 -1.145 -2.602 -6.595 1.00 0.00 C ATOM 1577 SD MET A 103 0.390 -3.036 -5.756 1.00 0.00 S ATOM 1578 CE MET A 103 0.205 -4.812 -5.609 1.00 0.00 C ATOM 0 H MET A 103 -3.124 0.958 -6.609 1.00 0.00 H new ATOM 0 HA MET A 103 -3.479 -1.873 -7.321 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.346 -0.704 -5.626 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.242 -2.000 -4.858 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.741 -3.503 -6.743 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.914 -2.207 -7.584 1.00 0.00 H new ATOM 0 HE1 MET A 103 0.434 -5.118 -4.588 1.00 0.00 H new ATOM 0 HE2 MET A 103 -0.820 -5.092 -5.851 1.00 0.00 H new ATOM 0 HE3 MET A 103 0.889 -5.307 -6.298 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.207 -2.102 -5.532 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.358 -2.144 -4.638 1.00 0.00 C ATOM 1590 C TYR A 104 -6.090 -3.061 -3.448 1.00 0.00 C ATOM 1591 O TYR A 104 -5.926 -4.271 -3.607 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.600 -2.620 -5.393 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.099 -1.631 -6.422 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.503 -0.355 -6.049 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.168 -1.973 -7.767 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -8.960 0.552 -6.985 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -8.622 -1.072 -8.710 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.018 0.189 -8.314 1.00 0.00 C ATOM 1599 OH TYR A 104 -9.473 1.089 -9.251 1.00 0.00 O ATOM 0 H TYR A 104 -5.088 -2.937 -6.106 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.533 -1.135 -4.264 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.374 -3.564 -5.889 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.397 -2.819 -4.676 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.459 -0.067 -5.009 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -7.861 -2.960 -8.080 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.270 1.540 -6.678 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.667 -1.353 -9.752 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.110 0.857 -10.131 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.049 -2.475 -2.256 1.00 0.00 N ATOM 1610 CA CYS A 105 -5.801 -3.238 -1.038 1.00 0.00 C ATOM 1611 C CYS A 105 -7.098 -3.822 -0.489 1.00 0.00 C ATOM 1612 O CYS A 105 -7.862 -3.135 0.189 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.140 -2.351 0.018 1.00 0.00 C ATOM 1614 SG CYS A 105 -4.924 -3.152 1.625 1.00 0.00 S ATOM 0 H CYS A 105 -6.184 -1.475 -2.107 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.129 -4.060 -1.284 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -4.165 -2.031 -0.350 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -5.742 -1.452 0.150 1.00 0.00 H new ATOM 0 HG CYS A 105 -4.356 -2.324 2.450 1.00 0.00 H new ATOM 1620 N SER A 106 -7.341 -5.094 -0.788 1.00 0.00 N ATOM 1621 CA SER A 106 -8.549 -5.770 -0.329 1.00 0.00 C ATOM 1622 C SER A 106 -8.275 -6.570 0.941 1.00 0.00 C ATOM 1623 O SER A 106 -7.147 -6.999 1.186 1.00 0.00 O ATOM 1624 CB SER A 106 -9.088 -6.695 -1.422 1.00 0.00 C ATOM 1625 OG SER A 106 -8.127 -6.891 -2.444 1.00 0.00 O ATOM 0 H SER A 106 -6.717 -5.677 -1.346 1.00 0.00 H new ATOM 0 HA SER A 106 -9.298 -5.010 -0.104 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.362 -7.656 -0.987 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.996 -6.268 -1.849 1.00 0.00 H new ATOM 0 HG SER A 106 -8.573 -6.889 -3.317 1.00 0.00 H new ATOM 1631 N PHE A 107 -9.315 -6.768 1.744 1.00 0.00 N ATOM 1632 CA PHE A 107 -9.187 -7.516 2.990 1.00 0.00 C ATOM 1633 C PHE A 107 -9.627 -8.965 2.801 1.00 0.00 C ATOM 1634 O PHE A 107 -10.241 -9.559 3.688 1.00 0.00 O ATOM 1635 CB PHE A 107 -10.019 -6.857 4.092 1.00 0.00 C ATOM 1636 CG PHE A 107 -9.292 -6.737 5.401 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -8.526 -7.786 5.881 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -9.375 -5.574 6.150 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -7.856 -7.678 7.086 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -8.707 -5.460 7.355 1.00 0.00 C ATOM 1641 CZ PHE A 107 -7.946 -6.513 7.823 1.00 0.00 C ATOM 0 H PHE A 107 -10.255 -6.421 1.555 1.00 0.00 H new ATOM 0 HA PHE A 107 -8.137 -7.509 3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -10.323 -5.864 3.762 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -10.930 -7.435 4.243 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -8.451 -8.698 5.308 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -9.968 -4.747 5.788 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -7.263 -8.504 7.451 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -8.780 -4.549 7.930 1.00 0.00 H new ATOM 0 HZ PHE A 107 -7.422 -6.426 8.763 1.00 0.00 H new ATOM 1651 N TYR A 108 -9.310 -9.527 1.641 1.00 0.00 N ATOM 1652 CA TYR A 108 -9.675 -10.905 1.334 1.00 0.00 C ATOM 1653 C TYR A 108 -8.799 -11.464 0.217 1.00 0.00 C ATOM 1654 O TYR A 108 -8.257 -10.730 -0.609 1.00 0.00 O ATOM 1655 CB TYR A 108 -11.148 -10.987 0.931 1.00 0.00 C ATOM 1656 CG TYR A 108 -11.460 -10.284 -0.370 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -11.584 -8.901 -0.424 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -11.630 -11.003 -1.547 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -11.870 -8.255 -1.611 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -11.915 -10.365 -2.739 1.00 0.00 C ATOM 1661 CZ TYR A 108 -12.034 -8.991 -2.766 1.00 0.00 C ATOM 1662 OH TYR A 108 -12.318 -8.351 -3.950 1.00 0.00 O ATOM 0 H TYR A 108 -8.801 -9.050 0.897 1.00 0.00 H new ATOM 0 HA TYR A 108 -9.517 -11.504 2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.435 -12.035 0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.758 -10.553 1.724 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.455 -8.321 0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -11.538 -12.079 -1.530 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.965 -7.179 -1.635 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.044 -10.939 -3.645 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.402 -9.013 -4.668 1.00 0.00 H new ATOM 1672 N PRO A 109 -8.657 -12.798 0.189 1.00 0.00 N ATOM 1673 CA PRO A 109 -7.849 -13.487 -0.821 1.00 0.00 C ATOM 1674 C PRO A 109 -8.481 -13.428 -2.208 1.00 0.00 C ATOM 1675 O PRO A 109 -9.643 -13.057 -2.371 1.00 0.00 O ATOM 1676 CB PRO A 109 -7.805 -14.931 -0.315 1.00 0.00 C ATOM 1677 CG PRO A 109 -9.034 -15.080 0.514 1.00 0.00 C ATOM 1678 CD PRO A 109 -9.274 -13.735 1.142 1.00 0.00 C ATOM 0 HA PRO A 109 -6.866 -13.031 -0.937 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -7.797 -15.640 -1.143 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -6.906 -15.117 0.273 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -9.884 -15.382 -0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -8.901 -15.848 1.276 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.338 -13.535 1.270 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -8.816 -13.665 2.128 1.00 0.00 H new ATOM 1686 N PRO A 110 -7.700 -13.802 -3.232 1.00 0.00 N ATOM 1687 CA PRO A 110 -8.163 -13.801 -4.622 1.00 0.00 C ATOM 1688 C PRO A 110 -9.200 -14.887 -4.889 1.00 0.00 C ATOM 1689 O PRO A 110 -10.250 -14.625 -5.477 1.00 0.00 O ATOM 1690 CB PRO A 110 -6.886 -14.074 -5.422 1.00 0.00 C ATOM 1691 CG PRO A 110 -5.996 -14.804 -4.476 1.00 0.00 C ATOM 1692 CD PRO A 110 -6.304 -14.256 -3.110 1.00 0.00 C ATOM 0 HA PRO A 110 -8.656 -12.866 -4.886 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.095 -14.671 -6.310 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.426 -13.146 -5.763 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.181 -15.878 -4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.947 -14.651 -4.730 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.195 -15.017 -2.338 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.636 -13.436 -2.846 1.00 0.00 H new ATOM 1700 N ASP A 111 -8.899 -16.105 -4.453 1.00 0.00 N ATOM 1701 CA ASP A 111 -9.807 -17.231 -4.643 1.00 0.00 C ATOM 1702 C ASP A 111 -9.222 -18.507 -4.048 1.00 0.00 C ATOM 1703 O ASP A 111 -9.952 -19.355 -3.536 1.00 0.00 O ATOM 1704 CB ASP A 111 -10.097 -17.434 -6.131 1.00 0.00 C ATOM 1705 CG ASP A 111 -11.552 -17.186 -6.477 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -12.420 -17.905 -5.939 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -11.823 -16.274 -7.286 1.00 0.00 O ATOM 0 H ASP A 111 -8.034 -16.338 -3.966 1.00 0.00 H new ATOM 0 HA ASP A 111 -10.740 -17.005 -4.126 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -9.468 -16.762 -6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -9.827 -18.451 -6.415 1.00 0.00 H new ATOM 1712 N GLU A 112 -7.901 -18.636 -4.119 1.00 0.00 N ATOM 1713 CA GLU A 112 -7.219 -19.811 -3.589 1.00 0.00 C ATOM 1714 C GLU A 112 -7.635 -20.076 -2.145 1.00 0.00 C ATOM 1715 O GLU A 112 -7.091 -20.960 -1.484 1.00 0.00 O ATOM 1716 CB GLU A 112 -5.702 -19.626 -3.668 1.00 0.00 C ATOM 1717 CG GLU A 112 -5.029 -20.541 -4.677 1.00 0.00 C ATOM 1718 CD GLU A 112 -3.810 -19.906 -5.318 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -3.983 -19.118 -6.272 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -2.683 -20.197 -4.865 1.00 0.00 O ATOM 0 H GLU A 112 -7.282 -17.942 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 112 -7.505 -20.670 -4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.484 -18.590 -3.928 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.271 -19.806 -2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.734 -21.467 -4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.745 -20.809 -5.454 1.00 0.00 H new