USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 769 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -169:sc= -0.0974 (180deg=-0.109) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.03 (180deg=1.02) USER MOD Single : A 2 GLN : amide:sc= 0.367 K(o=0.37,f=-5.2!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 174:sc= -0.431 USER MOD Single : A 9 THR OG1 : rot -39:sc= 0.0576 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.089 USER MOD Single : A 22 THR OG1 : rot 180:sc=0.000136 USER MOD Single : A 25 ASN : amide:sc= 1.12 K(o=1.1,f=-0.65) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 0.995 (180deg=0.957) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 0.998 (180deg=0.966) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= 0.912 (180deg=0.731) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 41 GLN : amide:sc= -0.501 K(o=-0.5,f=-6.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.195 K(o=-0.2,f=-0.88) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0454 USER MOD Single : A 57 SER OG : rot 180:sc= -0.14 USER MOD Single : A 59 TYR OH : rot 15:sc= -0.293 USER MOD Single : A 60 ASN : amide:sc= -0.0337 X(o=-0.034,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.12) USER MOD Single : A 65 SER OG : rot 57:sc= 0.976 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.37 K(o=-0.37,f=-2.6!) USER MOD Single : B 686 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc= 0.62 K(o=0.62,f=-0.11) USER MOD Single : B 697 LYS NZ :NH3+ 170:sc= 1.15 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.575 -2.104 -3.307 1.00 0.00 N ATOM 2 CA MET A 1 4.804 -2.141 -4.787 1.00 0.00 C ATOM 3 C MET A 1 4.499 -0.792 -5.440 1.00 0.00 C ATOM 4 O MET A 1 4.016 0.107 -4.766 1.00 0.00 O ATOM 5 CB MET A 1 4.018 -3.265 -5.509 1.00 0.00 C ATOM 6 CG MET A 1 2.489 -3.119 -5.655 1.00 0.00 C ATOM 7 SD MET A 1 1.769 -4.528 -6.534 1.00 0.00 S ATOM 8 CE MET A 1 0.211 -3.866 -7.176 1.00 0.00 C ATOM 0 H1 MET A 1 4.743 -3.049 -2.906 1.00 0.00 H new ATOM 0 H2 MET A 1 5.228 -1.422 -2.872 1.00 0.00 H new ATOM 0 H3 MET A 1 3.595 -1.815 -3.115 1.00 0.00 H new ATOM 0 HA MET A 1 5.864 -2.365 -4.904 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.437 -3.373 -6.509 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.213 -4.198 -4.980 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.035 -3.034 -4.668 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.260 -2.198 -6.192 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.401 -4.683 -7.559 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.325 -3.356 -6.376 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.419 -3.160 -7.980 1.00 0.00 H new ATOM 20 N GLN A 2 4.672 -0.664 -6.761 1.00 0.00 N ATOM 21 CA GLN A 2 4.382 0.548 -7.515 1.00 0.00 C ATOM 22 C GLN A 2 3.578 0.211 -8.761 1.00 0.00 C ATOM 23 O GLN A 2 3.710 -0.891 -9.287 1.00 0.00 O ATOM 24 CB GLN A 2 5.707 1.272 -7.835 1.00 0.00 C ATOM 25 CG GLN A 2 6.512 0.840 -9.084 1.00 0.00 C ATOM 26 CD GLN A 2 7.177 -0.540 -9.006 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.559 -1.532 -8.634 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.440 -0.655 -9.381 1.00 0.00 N ATOM 0 H GLN A 2 5.026 -1.422 -7.344 1.00 0.00 H new ATOM 0 HA GLN A 2 3.768 1.227 -6.924 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.486 2.334 -7.937 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.359 1.164 -6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.844 0.852 -9.945 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.286 1.585 -9.270 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.957 0.168 -9.691 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.897 -1.567 -9.360 1.00 0.00 H new ATOM 37 N ILE A 3 2.792 1.158 -9.266 1.00 0.00 N ATOM 38 CA ILE A 3 2.097 1.022 -10.558 1.00 0.00 C ATOM 39 C ILE A 3 2.110 2.366 -11.268 1.00 0.00 C ATOM 40 O ILE A 3 2.233 3.400 -10.619 1.00 0.00 O ATOM 41 CB ILE A 3 0.671 0.462 -10.376 1.00 0.00 C ATOM 42 CG1 ILE A 3 -0.089 1.191 -9.253 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.716 -1.044 -10.046 1.00 0.00 C ATOM 44 CD1 ILE A 3 -1.555 1.405 -9.595 1.00 0.00 C ATOM 0 H ILE A 3 2.614 2.045 -8.796 1.00 0.00 H new ATOM 0 HA ILE A 3 2.621 0.298 -11.181 1.00 0.00 H new ATOM 0 HB ILE A 3 0.146 0.622 -11.318 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.013 0.614 -8.332 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.383 2.155 -9.064 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.300 -1.420 -9.921 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.204 -1.580 -10.860 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.275 -1.198 -9.123 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.049 1.923 -8.773 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.633 2.006 -10.501 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.035 0.440 -9.757 1.00 0.00 H new ATOM 56 N PHE A 4 2.002 2.337 -12.592 1.00 0.00 N ATOM 57 CA PHE A 4 2.211 3.473 -13.471 1.00 0.00 C ATOM 58 C PHE A 4 0.863 3.905 -14.018 1.00 0.00 C ATOM 59 O PHE A 4 0.324 3.295 -14.932 1.00 0.00 O ATOM 60 CB PHE A 4 3.177 3.091 -14.603 1.00 0.00 C ATOM 61 CG PHE A 4 4.356 2.237 -14.183 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.179 2.667 -13.132 1.00 0.00 C ATOM 63 CD2 PHE A 4 4.619 1.002 -14.806 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.235 1.865 -12.676 1.00 0.00 C ATOM 65 CE2 PHE A 4 5.718 0.233 -14.389 1.00 0.00 C ATOM 66 CZ PHE A 4 6.526 0.659 -13.326 1.00 0.00 C ATOM 0 H PHE A 4 1.757 1.486 -13.098 1.00 0.00 H new ATOM 0 HA PHE A 4 2.659 4.303 -12.925 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.618 2.558 -15.372 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.555 4.005 -15.060 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.998 3.626 -12.669 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.979 0.648 -15.601 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.823 2.177 -11.825 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.943 -0.696 -14.892 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.368 0.061 -13.010 1.00 0.00 H new ATOM 76 N VAL A 5 0.260 4.930 -13.451 1.00 0.00 N ATOM 77 CA VAL A 5 -1.042 5.390 -13.909 1.00 0.00 C ATOM 78 C VAL A 5 -0.782 6.384 -15.032 1.00 0.00 C ATOM 79 O VAL A 5 -0.344 7.504 -14.779 1.00 0.00 O ATOM 80 CB VAL A 5 -1.876 5.899 -12.722 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.273 6.297 -13.199 1.00 0.00 C ATOM 82 CG2 VAL A 5 -1.998 4.791 -11.662 1.00 0.00 C ATOM 0 H VAL A 5 0.648 5.462 -12.672 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.664 4.596 -14.324 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.381 6.768 -12.288 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.858 6.657 -12.352 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.191 7.087 -13.945 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.767 5.431 -13.640 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.590 5.155 -10.822 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.487 3.921 -12.100 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.004 4.511 -11.312 1.00 0.00 H new ATOM 92 N LYS A 6 -0.985 5.973 -16.286 1.00 0.00 N ATOM 93 CA LYS A 6 -0.893 6.901 -17.398 1.00 0.00 C ATOM 94 C LYS A 6 -2.090 7.827 -17.336 1.00 0.00 C ATOM 95 O LYS A 6 -3.219 7.340 -17.361 1.00 0.00 O ATOM 96 CB LYS A 6 -0.822 6.194 -18.763 1.00 0.00 C ATOM 97 CG LYS A 6 -0.205 7.193 -19.762 1.00 0.00 C ATOM 98 CD LYS A 6 -0.258 6.719 -21.213 1.00 0.00 C ATOM 99 CE LYS A 6 0.933 7.304 -22.002 1.00 0.00 C ATOM 100 NZ LYS A 6 1.215 6.570 -23.271 1.00 0.00 N ATOM 0 H LYS A 6 -1.211 5.013 -16.548 1.00 0.00 H new ATOM 0 HA LYS A 6 0.037 7.462 -17.306 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.215 5.291 -18.697 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.816 5.887 -19.090 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.729 8.146 -19.680 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.834 7.375 -19.486 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.230 5.630 -21.250 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.197 7.029 -21.672 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.729 8.350 -22.232 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.823 7.284 -21.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.024 7.010 -23.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.438 5.577 -23.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.379 6.611 -23.889 1.00 0.00 H new ATOM 114 N THR A 7 -1.882 9.134 -17.238 1.00 0.00 N ATOM 115 CA THR A 7 -2.992 10.029 -17.415 1.00 0.00 C ATOM 116 C THR A 7 -3.253 10.277 -18.878 1.00 0.00 C ATOM 117 O THR A 7 -2.402 10.138 -19.759 1.00 0.00 O ATOM 118 CB THR A 7 -2.864 11.331 -16.656 1.00 0.00 C ATOM 119 OG1 THR A 7 -1.900 12.126 -17.273 1.00 0.00 O ATOM 120 CG2 THR A 7 -2.545 11.176 -15.191 1.00 0.00 C ATOM 0 H THR A 7 -0.984 9.576 -17.043 1.00 0.00 H new ATOM 0 HA THR A 7 -3.853 9.522 -16.979 1.00 0.00 H new ATOM 0 HB THR A 7 -3.846 11.803 -16.689 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.881 13.008 -16.846 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.472 12.160 -14.728 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.336 10.604 -14.705 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.596 10.651 -15.079 1.00 0.00 H new ATOM 128 N LEU A 8 -4.481 10.712 -19.093 1.00 0.00 N ATOM 129 CA LEU A 8 -5.046 10.984 -20.398 1.00 0.00 C ATOM 130 C LEU A 8 -4.315 12.064 -21.184 1.00 0.00 C ATOM 131 O LEU A 8 -4.523 12.101 -22.391 1.00 0.00 O ATOM 132 CB LEU A 8 -6.530 11.261 -20.187 1.00 0.00 C ATOM 133 CG LEU A 8 -7.401 10.013 -20.378 1.00 0.00 C ATOM 134 CD1 LEU A 8 -7.999 9.990 -21.782 1.00 0.00 C ATOM 135 CD2 LEU A 8 -6.742 8.630 -20.174 1.00 0.00 C ATOM 0 H LEU A 8 -5.136 10.892 -18.332 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.919 10.116 -21.045 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.682 11.654 -19.182 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.853 12.034 -20.884 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.130 10.129 -19.576 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.614 9.098 -21.901 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.614 10.878 -21.930 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.196 9.978 -22.519 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.481 7.846 -20.343 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.919 8.511 -20.879 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.360 8.555 -19.156 1.00 0.00 H new ATOM 147 N THR A 9 -3.449 12.882 -20.577 1.00 0.00 N ATOM 148 CA THR A 9 -2.724 13.921 -21.312 1.00 0.00 C ATOM 149 C THR A 9 -1.457 13.342 -21.974 1.00 0.00 C ATOM 150 O THR A 9 -0.766 14.038 -22.723 1.00 0.00 O ATOM 151 CB THR A 9 -2.437 15.147 -20.422 1.00 0.00 C ATOM 152 OG1 THR A 9 -2.090 16.287 -21.180 1.00 0.00 O ATOM 153 CG2 THR A 9 -1.389 14.938 -19.332 1.00 0.00 C ATOM 0 H THR A 9 -3.234 12.844 -19.581 1.00 0.00 H new ATOM 0 HA THR A 9 -3.361 14.281 -22.120 1.00 0.00 H new ATOM 0 HB THR A 9 -3.387 15.306 -19.913 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.518 16.020 -21.929 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.264 15.861 -18.765 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.714 14.142 -18.662 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.439 14.662 -19.789 1.00 0.00 H new ATOM 161 N GLY A 10 -1.124 12.078 -21.689 1.00 0.00 N ATOM 162 CA GLY A 10 0.151 11.505 -22.080 1.00 0.00 C ATOM 163 C GLY A 10 1.173 11.633 -20.956 1.00 0.00 C ATOM 164 O GLY A 10 2.345 11.888 -21.240 1.00 0.00 O ATOM 0 H GLY A 10 -1.733 11.434 -21.184 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.018 10.454 -22.338 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.522 12.008 -22.973 1.00 0.00 H new ATOM 168 N LYS A 11 0.756 11.493 -19.687 1.00 0.00 N ATOM 169 CA LYS A 11 1.675 11.543 -18.540 1.00 0.00 C ATOM 170 C LYS A 11 1.669 10.159 -17.934 1.00 0.00 C ATOM 171 O LYS A 11 0.648 9.504 -18.035 1.00 0.00 O ATOM 172 CB LYS A 11 1.180 12.641 -17.562 1.00 0.00 C ATOM 173 CG LYS A 11 0.811 12.234 -16.122 1.00 0.00 C ATOM 174 CD LYS A 11 1.947 12.325 -15.109 1.00 0.00 C ATOM 175 CE LYS A 11 1.630 13.457 -14.119 1.00 0.00 C ATOM 176 NZ LYS A 11 2.074 14.801 -14.582 1.00 0.00 N ATOM 0 H LYS A 11 -0.219 11.343 -19.429 1.00 0.00 H new ATOM 0 HA LYS A 11 2.698 11.804 -18.811 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.955 13.405 -17.502 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.304 13.111 -18.008 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.009 12.866 -15.782 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.439 11.210 -16.135 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.058 11.379 -14.579 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.892 12.519 -15.616 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.555 13.481 -13.941 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.107 13.236 -13.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.828 15.514 -13.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.104 14.796 -14.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.601 15.033 -15.478 1.00 0.00 H new ATOM 190 N THR A 12 2.675 9.752 -17.185 1.00 0.00 N ATOM 191 CA THR A 12 2.614 8.522 -16.396 1.00 0.00 C ATOM 192 C THR A 12 3.064 8.842 -14.979 1.00 0.00 C ATOM 193 O THR A 12 4.210 9.231 -14.755 1.00 0.00 O ATOM 194 CB THR A 12 3.407 7.393 -17.082 1.00 0.00 C ATOM 195 OG1 THR A 12 3.400 7.520 -18.496 1.00 0.00 O ATOM 196 CG2 THR A 12 2.758 6.051 -16.743 1.00 0.00 C ATOM 0 H THR A 12 3.557 10.257 -17.101 1.00 0.00 H new ATOM 0 HA THR A 12 1.595 8.141 -16.333 1.00 0.00 H new ATOM 0 HB THR A 12 4.435 7.454 -16.724 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.915 6.786 -18.893 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.313 5.246 -17.225 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.769 5.904 -15.663 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.728 6.045 -17.099 1.00 0.00 H new ATOM 204 N ILE A 13 2.123 8.742 -14.033 1.00 0.00 N ATOM 205 CA ILE A 13 2.356 8.984 -12.622 1.00 0.00 C ATOM 206 C ILE A 13 2.499 7.623 -11.974 1.00 0.00 C ATOM 207 O ILE A 13 1.548 6.849 -11.934 1.00 0.00 O ATOM 208 CB ILE A 13 1.279 9.898 -11.986 1.00 0.00 C ATOM 209 CG1 ILE A 13 1.117 9.718 -10.461 1.00 0.00 C ATOM 210 CG2 ILE A 13 -0.107 9.943 -12.636 1.00 0.00 C ATOM 211 CD1 ILE A 13 -0.169 9.067 -9.937 1.00 0.00 C ATOM 0 H ILE A 13 1.159 8.484 -14.242 1.00 0.00 H new ATOM 0 HA ILE A 13 3.270 9.555 -12.461 1.00 0.00 H new ATOM 0 HB ILE A 13 1.729 10.866 -12.204 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.959 9.124 -10.105 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.203 10.702 -9.999 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.748 10.625 -12.078 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.015 10.291 -13.665 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.545 8.945 -12.628 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.132 9.012 -8.849 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.029 9.664 -10.241 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.262 8.062 -10.348 1.00 0.00 H new ATOM 223 N THR A 14 3.687 7.333 -11.474 1.00 0.00 N ATOM 224 CA THR A 14 3.927 6.130 -10.708 1.00 0.00 C ATOM 225 C THR A 14 3.414 6.393 -9.293 1.00 0.00 C ATOM 226 O THR A 14 3.576 7.502 -8.771 1.00 0.00 O ATOM 227 CB THR A 14 5.422 5.814 -10.718 1.00 0.00 C ATOM 228 OG1 THR A 14 5.902 5.855 -12.052 1.00 0.00 O ATOM 229 CG2 THR A 14 5.716 4.425 -10.110 1.00 0.00 C ATOM 0 H THR A 14 4.509 7.926 -11.589 1.00 0.00 H new ATOM 0 HA THR A 14 3.411 5.267 -11.130 1.00 0.00 H new ATOM 0 HB THR A 14 5.929 6.562 -10.109 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.861 5.654 -12.061 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.789 4.237 -10.135 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.367 4.398 -9.078 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.200 3.658 -10.688 1.00 0.00 H new ATOM 237 N LEU A 15 2.813 5.384 -8.667 1.00 0.00 N ATOM 238 CA LEU A 15 2.333 5.480 -7.299 1.00 0.00 C ATOM 239 C LEU A 15 2.573 4.175 -6.596 1.00 0.00 C ATOM 240 O LEU A 15 2.553 3.133 -7.242 1.00 0.00 O ATOM 241 CB LEU A 15 0.858 5.901 -7.294 1.00 0.00 C ATOM 242 CG LEU A 15 -0.171 4.942 -7.915 1.00 0.00 C ATOM 243 CD1 LEU A 15 -0.733 3.978 -6.883 1.00 0.00 C ATOM 244 CD2 LEU A 15 -1.364 5.746 -8.411 1.00 0.00 C ATOM 0 H LEU A 15 2.647 4.475 -9.100 1.00 0.00 H new ATOM 0 HA LEU A 15 2.881 6.248 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.566 6.079 -6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.782 6.855 -7.816 1.00 0.00 H new ATOM 0 HG LEU A 15 0.338 4.398 -8.710 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.457 3.316 -7.359 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.078 3.385 -6.460 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.224 4.541 -6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.098 5.072 -8.853 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.817 6.278 -7.575 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.032 6.464 -9.161 1.00 0.00 H new ATOM 256 N GLU A 16 2.769 4.225 -5.283 1.00 0.00 N ATOM 257 CA GLU A 16 3.147 3.068 -4.493 1.00 0.00 C ATOM 258 C GLU A 16 1.963 2.626 -3.653 1.00 0.00 C ATOM 259 O GLU A 16 1.366 3.417 -2.915 1.00 0.00 O ATOM 260 CB GLU A 16 4.391 3.365 -3.651 1.00 0.00 C ATOM 261 CG GLU A 16 5.649 3.206 -4.512 1.00 0.00 C ATOM 262 CD GLU A 16 6.927 3.482 -3.699 1.00 0.00 C ATOM 263 OE1 GLU A 16 7.458 2.545 -3.054 1.00 0.00 O ATOM 264 OE2 GLU A 16 7.416 4.639 -3.713 1.00 0.00 O ATOM 0 H GLU A 16 2.668 5.080 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 16 3.416 2.243 -5.152 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.338 4.378 -3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.435 2.688 -2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.687 2.196 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.600 3.890 -5.359 1.00 0.00 H new ATOM 271 N VAL A 17 1.615 1.357 -3.834 1.00 0.00 N ATOM 272 CA VAL A 17 0.410 0.690 -3.341 1.00 0.00 C ATOM 273 C VAL A 17 0.704 -0.785 -3.065 1.00 0.00 C ATOM 274 O VAL A 17 1.850 -1.229 -3.107 1.00 0.00 O ATOM 275 CB VAL A 17 -0.734 0.874 -4.367 1.00 0.00 C ATOM 276 CG1 VAL A 17 -1.350 2.260 -4.231 1.00 0.00 C ATOM 277 CG2 VAL A 17 -0.275 0.597 -5.804 1.00 0.00 C ATOM 0 H VAL A 17 2.208 0.720 -4.366 1.00 0.00 H new ATOM 0 HA VAL A 17 0.092 1.138 -2.400 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.502 0.134 -4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.153 2.374 -4.959 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.752 2.382 -3.225 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.586 3.017 -4.411 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.112 0.739 -6.487 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.529 1.284 -6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.085 -0.429 -5.880 1.00 0.00 H new ATOM 287 N GLU A 18 -0.352 -1.558 -2.833 1.00 0.00 N ATOM 288 CA GLU A 18 -0.333 -3.000 -2.629 1.00 0.00 C ATOM 289 C GLU A 18 -1.263 -3.596 -3.686 1.00 0.00 C ATOM 290 O GLU A 18 -2.197 -2.907 -4.099 1.00 0.00 O ATOM 291 CB GLU A 18 -0.875 -3.348 -1.229 1.00 0.00 C ATOM 292 CG GLU A 18 -0.187 -2.573 -0.103 1.00 0.00 C ATOM 293 CD GLU A 18 -0.596 -3.096 1.282 1.00 0.00 C ATOM 294 OE1 GLU A 18 -1.590 -2.590 1.857 1.00 0.00 O ATOM 295 OE2 GLU A 18 0.089 -4.002 1.820 1.00 0.00 O ATOM 0 H GLU A 18 -1.295 -1.173 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 18 0.682 -3.390 -2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.945 -3.143 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.750 -4.417 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.894 -2.651 -0.216 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.440 -1.516 -0.182 1.00 0.00 H new ATOM 302 N PRO A 19 -1.095 -4.860 -4.102 1.00 0.00 N ATOM 303 CA PRO A 19 -2.083 -5.536 -4.940 1.00 0.00 C ATOM 304 C PRO A 19 -3.502 -5.498 -4.340 1.00 0.00 C ATOM 305 O PRO A 19 -4.496 -5.392 -5.054 1.00 0.00 O ATOM 306 CB PRO A 19 -1.573 -6.972 -5.093 1.00 0.00 C ATOM 307 CG PRO A 19 -0.093 -6.935 -4.730 1.00 0.00 C ATOM 308 CD PRO A 19 0.034 -5.727 -3.801 1.00 0.00 C ATOM 0 HA PRO A 19 -2.182 -5.034 -5.902 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.118 -7.651 -4.438 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.716 -7.330 -6.113 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.219 -7.854 -4.234 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.532 -6.824 -5.616 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.019 -6.037 -2.756 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.978 -5.207 -3.966 1.00 0.00 H new ATOM 316 N SER A 20 -3.609 -5.511 -3.017 1.00 0.00 N ATOM 317 CA SER A 20 -4.855 -5.518 -2.279 1.00 0.00 C ATOM 318 C SER A 20 -5.355 -4.101 -2.045 1.00 0.00 C ATOM 319 O SER A 20 -6.386 -3.924 -1.389 1.00 0.00 O ATOM 320 CB SER A 20 -4.621 -6.286 -0.966 1.00 0.00 C ATOM 321 OG SER A 20 -3.367 -5.926 -0.390 1.00 0.00 O ATOM 0 H SER A 20 -2.791 -5.517 -2.408 1.00 0.00 H new ATOM 0 HA SER A 20 -5.638 -6.019 -2.849 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.426 -6.069 -0.263 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.645 -7.359 -1.157 1.00 0.00 H new ATOM 0 HG SER A 20 -3.236 -6.422 0.445 1.00 0.00 H new ATOM 327 N ASP A 21 -4.653 -3.088 -2.568 1.00 0.00 N ATOM 328 CA ASP A 21 -5.122 -1.739 -2.425 1.00 0.00 C ATOM 329 C ASP A 21 -6.298 -1.528 -3.363 1.00 0.00 C ATOM 330 O ASP A 21 -6.296 -1.979 -4.522 1.00 0.00 O ATOM 331 CB ASP A 21 -4.041 -0.693 -2.668 1.00 0.00 C ATOM 332 CG ASP A 21 -4.499 0.662 -2.121 1.00 0.00 C ATOM 333 OD1 ASP A 21 -5.046 0.701 -0.995 1.00 0.00 O ATOM 334 OD2 ASP A 21 -4.251 1.692 -2.782 1.00 0.00 O ATOM 0 H ASP A 21 -3.777 -3.191 -3.081 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.432 -1.604 -1.389 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.113 -0.996 -2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.832 -0.613 -3.735 1.00 0.00 H new ATOM 339 N THR A 22 -7.327 -0.882 -2.833 1.00 0.00 N ATOM 340 CA THR A 22 -8.527 -0.594 -3.586 1.00 0.00 C ATOM 341 C THR A 22 -8.306 0.530 -4.574 1.00 0.00 C ATOM 342 O THR A 22 -7.560 1.483 -4.343 1.00 0.00 O ATOM 343 CB THR A 22 -9.731 -0.261 -2.697 1.00 0.00 C ATOM 344 OG1 THR A 22 -9.365 0.672 -1.690 1.00 0.00 O ATOM 345 CG2 THR A 22 -10.285 -1.523 -2.053 1.00 0.00 C ATOM 0 H THR A 22 -7.348 -0.546 -1.870 1.00 0.00 H new ATOM 0 HA THR A 22 -8.757 -1.512 -4.126 1.00 0.00 H new ATOM 0 HB THR A 22 -10.503 0.183 -3.325 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.145 0.875 -1.133 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.139 -1.267 -1.426 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.601 -2.219 -2.830 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.512 -1.989 -1.441 1.00 0.00 H new ATOM 353 N ILE A 23 -9.045 0.428 -5.667 1.00 0.00 N ATOM 354 CA ILE A 23 -9.178 1.480 -6.663 1.00 0.00 C ATOM 355 C ILE A 23 -9.507 2.823 -6.002 1.00 0.00 C ATOM 356 O ILE A 23 -8.933 3.823 -6.417 1.00 0.00 O ATOM 357 CB ILE A 23 -10.255 1.065 -7.672 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.954 -0.269 -8.388 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.528 2.153 -8.724 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.488 -0.645 -8.608 1.00 0.00 C ATOM 0 H ILE A 23 -9.582 -0.409 -5.892 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.232 1.615 -7.187 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.149 0.924 -7.064 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.423 -1.070 -7.816 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.443 -0.244 -9.362 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.298 1.807 -9.413 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.867 3.062 -8.228 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.613 2.361 -9.278 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.432 -1.605 -9.121 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.003 0.120 -9.215 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.983 -0.718 -7.645 1.00 0.00 H new ATOM 372 N GLU A 24 -10.372 2.878 -4.982 1.00 0.00 N ATOM 373 CA GLU A 24 -10.695 4.139 -4.322 1.00 0.00 C ATOM 374 C GLU A 24 -9.434 4.798 -3.763 1.00 0.00 C ATOM 375 O GLU A 24 -9.196 5.990 -3.964 1.00 0.00 O ATOM 376 CB GLU A 24 -11.714 3.890 -3.201 1.00 0.00 C ATOM 377 CG GLU A 24 -12.257 5.204 -2.622 1.00 0.00 C ATOM 378 CD GLU A 24 -13.325 4.934 -1.544 1.00 0.00 C ATOM 379 OE1 GLU A 24 -12.956 4.674 -0.374 1.00 0.00 O ATOM 380 OE2 GLU A 24 -14.539 4.999 -1.855 1.00 0.00 O ATOM 0 H GLU A 24 -10.856 2.065 -4.601 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.131 4.817 -5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.541 3.294 -3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.246 3.309 -2.407 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.439 5.781 -2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.687 5.808 -3.421 1.00 0.00 H new ATOM 387 N ASN A 25 -8.594 4.013 -3.088 1.00 0.00 N ATOM 388 CA ASN A 25 -7.395 4.544 -2.456 1.00 0.00 C ATOM 389 C ASN A 25 -6.315 4.845 -3.499 1.00 0.00 C ATOM 390 O ASN A 25 -5.579 5.822 -3.364 1.00 0.00 O ATOM 391 CB ASN A 25 -6.905 3.570 -1.390 1.00 0.00 C ATOM 392 CG ASN A 25 -5.775 4.153 -0.548 1.00 0.00 C ATOM 393 OD1 ASN A 25 -5.737 5.345 -0.248 1.00 0.00 O ATOM 394 ND2 ASN A 25 -4.864 3.308 -0.115 1.00 0.00 N ATOM 0 H ASN A 25 -8.725 3.009 -2.967 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.633 5.489 -1.968 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.737 3.298 -0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.562 2.653 -1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.106 3.637 0.483 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.916 2.324 -0.377 1.00 0.00 H new ATOM 401 N VAL A 26 -6.279 4.098 -4.603 1.00 0.00 N ATOM 402 CA VAL A 26 -5.453 4.412 -5.757 1.00 0.00 C ATOM 403 C VAL A 26 -5.870 5.782 -6.302 1.00 0.00 C ATOM 404 O VAL A 26 -5.028 6.670 -6.399 1.00 0.00 O ATOM 405 CB VAL A 26 -5.609 3.275 -6.780 1.00 0.00 C ATOM 406 CG1 VAL A 26 -5.019 3.638 -8.143 1.00 0.00 C ATOM 407 CG2 VAL A 26 -4.999 1.950 -6.307 1.00 0.00 C ATOM 0 H VAL A 26 -6.832 3.248 -4.717 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.395 4.481 -5.502 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.686 3.138 -6.880 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.153 2.804 -8.831 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.527 4.519 -8.536 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.956 3.851 -8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.143 1.189 -7.074 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.933 2.085 -6.125 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.487 1.633 -5.386 1.00 0.00 H new ATOM 417 N LYS A 27 -7.153 6.007 -6.609 1.00 0.00 N ATOM 418 CA LYS A 27 -7.625 7.315 -7.076 1.00 0.00 C ATOM 419 C LYS A 27 -7.296 8.422 -6.072 1.00 0.00 C ATOM 420 O LYS A 27 -6.997 9.537 -6.493 1.00 0.00 O ATOM 421 CB LYS A 27 -9.155 7.343 -7.284 1.00 0.00 C ATOM 422 CG LYS A 27 -9.779 6.506 -8.411 1.00 0.00 C ATOM 423 CD LYS A 27 -11.253 6.939 -8.520 1.00 0.00 C ATOM 424 CE LYS A 27 -12.141 5.984 -9.322 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.564 6.439 -9.276 1.00 0.00 N ATOM 0 H LYS A 27 -7.884 5.298 -6.542 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.113 7.484 -8.023 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.618 7.029 -6.349 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.444 8.381 -7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.256 6.673 -9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.704 5.441 -8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.664 7.038 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.295 7.926 -8.981 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.799 5.940 -10.356 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.061 4.975 -8.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.154 5.792 -9.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.896 6.442 -8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.634 7.400 -9.668 1.00 0.00 H new ATOM 439 N ALA A 28 -7.327 8.146 -4.767 1.00 0.00 N ATOM 440 CA ALA A 28 -6.974 9.137 -3.753 1.00 0.00 C ATOM 441 C ALA A 28 -5.487 9.495 -3.848 1.00 0.00 C ATOM 442 O ALA A 28 -5.122 10.655 -3.678 1.00 0.00 O ATOM 443 CB ALA A 28 -7.326 8.625 -2.350 1.00 0.00 C ATOM 0 H ALA A 28 -7.595 7.238 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.554 10.041 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.055 9.378 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.397 8.428 -2.293 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.777 7.705 -2.150 1.00 0.00 H new ATOM 449 N LYS A 29 -4.623 8.540 -4.211 1.00 0.00 N ATOM 450 CA LYS A 29 -3.220 8.846 -4.486 1.00 0.00 C ATOM 451 C LYS A 29 -3.122 9.673 -5.762 1.00 0.00 C ATOM 452 O LYS A 29 -2.310 10.578 -5.832 1.00 0.00 O ATOM 453 CB LYS A 29 -2.385 7.558 -4.554 1.00 0.00 C ATOM 454 CG LYS A 29 -2.292 6.935 -3.152 1.00 0.00 C ATOM 455 CD LYS A 29 -1.750 5.500 -3.162 1.00 0.00 C ATOM 456 CE LYS A 29 -1.540 5.010 -1.715 1.00 0.00 C ATOM 457 NZ LYS A 29 -0.140 5.195 -1.230 1.00 0.00 N ATOM 0 H LYS A 29 -4.871 7.557 -4.320 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.806 9.439 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.841 6.852 -5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.387 7.778 -4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.648 7.555 -2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.281 6.940 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.447 4.842 -3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.808 5.461 -3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.221 5.546 -1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.802 3.954 -1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.085 4.943 -0.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.500 4.583 -1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.142 6.188 -1.354 1.00 0.00 H new ATOM 471 N ILE A 30 -3.986 9.470 -6.754 1.00 0.00 N ATOM 472 CA ILE A 30 -4.005 10.365 -7.917 1.00 0.00 C ATOM 473 C ILE A 30 -4.364 11.780 -7.483 1.00 0.00 C ATOM 474 O ILE A 30 -3.766 12.718 -7.955 1.00 0.00 O ATOM 475 CB ILE A 30 -4.961 9.884 -9.020 1.00 0.00 C ATOM 476 CG1 ILE A 30 -4.821 8.403 -9.385 1.00 0.00 C ATOM 477 CG2 ILE A 30 -4.758 10.740 -10.274 1.00 0.00 C ATOM 478 CD1 ILE A 30 -3.404 7.940 -9.631 1.00 0.00 C ATOM 0 H ILE A 30 -4.669 8.713 -6.781 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.002 10.358 -8.344 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.967 9.997 -8.617 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.249 7.804 -8.582 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.412 8.207 -10.279 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.435 10.402 -11.059 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.967 11.784 -10.040 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.728 10.644 -10.617 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.406 6.879 -9.883 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.974 8.508 -10.456 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.808 8.098 -8.732 1.00 0.00 H new ATOM 490 N GLN A 31 -5.294 11.975 -6.568 1.00 0.00 N ATOM 491 CA GLN A 31 -5.632 13.288 -6.018 1.00 0.00 C ATOM 492 C GLN A 31 -4.390 13.914 -5.372 1.00 0.00 C ATOM 493 O GLN A 31 -4.157 15.104 -5.548 1.00 0.00 O ATOM 494 CB GLN A 31 -6.785 13.183 -5.018 1.00 0.00 C ATOM 495 CG GLN A 31 -7.405 14.534 -4.601 1.00 0.00 C ATOM 496 CD GLN A 31 -7.609 14.611 -3.088 1.00 0.00 C ATOM 497 OE1 GLN A 31 -6.718 15.020 -2.346 1.00 0.00 O ATOM 498 NE2 GLN A 31 -8.766 14.197 -2.583 1.00 0.00 N ATOM 0 H GLN A 31 -5.850 11.216 -6.174 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.965 13.935 -6.829 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.567 12.558 -5.450 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.427 12.672 -4.124 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.757 15.349 -4.924 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.362 14.668 -5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.501 13.859 -3.204 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.919 14.217 -1.575 1.00 0.00 H new ATOM 507 N ASP A 32 -3.557 13.113 -4.709 1.00 0.00 N ATOM 508 CA ASP A 32 -2.284 13.597 -4.182 1.00 0.00 C ATOM 509 C ASP A 32 -1.340 14.012 -5.313 1.00 0.00 C ATOM 510 O ASP A 32 -0.659 15.037 -5.192 1.00 0.00 O ATOM 511 CB ASP A 32 -1.613 12.541 -3.297 1.00 0.00 C ATOM 512 CG ASP A 32 -0.178 12.964 -2.924 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.016 13.692 -1.916 1.00 0.00 O ATOM 514 OD2 ASP A 32 0.783 12.557 -3.625 1.00 0.00 O ATOM 0 H ASP A 32 -3.742 12.127 -4.525 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.498 14.474 -3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.200 12.395 -2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.590 11.585 -3.820 1.00 0.00 H new ATOM 519 N LYS A 33 -1.307 13.259 -6.423 1.00 0.00 N ATOM 520 CA LYS A 33 -0.282 13.445 -7.442 1.00 0.00 C ATOM 521 C LYS A 33 -0.689 14.439 -8.529 1.00 0.00 C ATOM 522 O LYS A 33 0.165 15.113 -9.108 1.00 0.00 O ATOM 523 CB LYS A 33 0.079 12.077 -8.023 1.00 0.00 C ATOM 524 CG LYS A 33 0.417 10.993 -6.965 1.00 0.00 C ATOM 525 CD LYS A 33 1.863 10.487 -6.961 1.00 0.00 C ATOM 526 CE LYS A 33 2.906 11.594 -6.765 1.00 0.00 C ATOM 527 NZ LYS A 33 2.986 12.068 -5.352 1.00 0.00 N ATOM 0 H LYS A 33 -1.979 12.520 -6.631 1.00 0.00 H new ATOM 0 HA LYS A 33 0.596 13.890 -6.973 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.754 11.724 -8.632 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.934 12.194 -8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.191 11.394 -5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.245 10.141 -7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.977 9.748 -6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.062 9.976 -7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.884 11.225 -7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.662 12.436 -7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.445 13.001 -5.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.027 12.142 -4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.542 11.392 -4.790 1.00 0.00 H new ATOM 541 N GLU A 34 -1.994 14.561 -8.751 1.00 0.00 N ATOM 542 CA GLU A 34 -2.616 15.260 -9.861 1.00 0.00 C ATOM 543 C GLU A 34 -3.571 16.361 -9.396 1.00 0.00 C ATOM 544 O GLU A 34 -3.678 17.401 -10.048 1.00 0.00 O ATOM 545 CB GLU A 34 -3.403 14.232 -10.695 1.00 0.00 C ATOM 546 CG GLU A 34 -2.523 13.146 -11.328 1.00 0.00 C ATOM 547 CD GLU A 34 -1.297 13.716 -12.065 1.00 0.00 C ATOM 548 OE1 GLU A 34 -1.466 14.548 -12.989 1.00 0.00 O ATOM 549 OE2 GLU A 34 -0.163 13.312 -11.721 1.00 0.00 O ATOM 0 H GLU A 34 -2.683 14.149 -8.121 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.830 15.737 -10.447 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.150 13.757 -10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.943 14.755 -11.484 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.186 12.461 -10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.122 12.564 -12.028 1.00 0.00 H new ATOM 556 N GLY A 35 -4.260 16.144 -8.268 1.00 0.00 N ATOM 557 CA GLY A 35 -5.159 17.115 -7.648 1.00 0.00 C ATOM 558 C GLY A 35 -6.630 16.807 -7.905 1.00 0.00 C ATOM 559 O GLY A 35 -7.483 17.625 -7.568 1.00 0.00 O ATOM 0 H GLY A 35 -4.203 15.266 -7.752 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.979 17.135 -6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.929 18.110 -8.028 1.00 0.00 H new ATOM 563 N ILE A 36 -6.951 15.653 -8.510 1.00 0.00 N ATOM 564 CA ILE A 36 -8.302 15.379 -8.986 1.00 0.00 C ATOM 565 C ILE A 36 -9.028 14.580 -7.901 1.00 0.00 C ATOM 566 O ILE A 36 -8.511 13.533 -7.521 1.00 0.00 O ATOM 567 CB ILE A 36 -8.224 14.578 -10.294 1.00 0.00 C ATOM 568 CG1 ILE A 36 -7.390 15.326 -11.357 1.00 0.00 C ATOM 569 CG2 ILE A 36 -9.640 14.323 -10.833 1.00 0.00 C ATOM 570 CD1 ILE A 36 -7.146 14.456 -12.582 1.00 0.00 C ATOM 0 H ILE A 36 -6.287 14.897 -8.678 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.845 16.303 -9.184 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.735 13.627 -10.082 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.908 16.238 -11.653 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.435 15.628 -10.927 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.579 13.754 -11.761 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.213 13.758 -10.098 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.134 15.276 -11.023 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.556 15.012 -13.311 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.605 13.557 -12.288 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.101 14.176 -13.026 1.00 0.00 H new ATOM 582 N PRO A 37 -10.230 14.969 -7.454 1.00 0.00 N ATOM 583 CA PRO A 37 -10.991 14.204 -6.473 1.00 0.00 C ATOM 584 C PRO A 37 -11.451 12.856 -7.043 1.00 0.00 C ATOM 585 O PRO A 37 -11.816 12.786 -8.218 1.00 0.00 O ATOM 586 CB PRO A 37 -12.173 15.091 -6.063 1.00 0.00 C ATOM 587 CG PRO A 37 -12.011 16.400 -6.839 1.00 0.00 C ATOM 588 CD PRO A 37 -10.995 16.104 -7.937 1.00 0.00 C ATOM 0 HA PRO A 37 -10.379 13.954 -5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.122 14.611 -6.302 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.170 15.272 -4.988 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.962 16.725 -7.262 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.662 17.201 -6.188 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.491 15.872 -8.880 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.351 16.964 -8.119 1.00 0.00 H new ATOM 596 N PRO A 38 -11.495 11.779 -6.236 1.00 0.00 N ATOM 597 CA PRO A 38 -11.776 10.436 -6.737 1.00 0.00 C ATOM 598 C PRO A 38 -13.150 10.281 -7.348 1.00 0.00 C ATOM 599 O PRO A 38 -13.300 9.544 -8.320 1.00 0.00 O ATOM 600 CB PRO A 38 -11.629 9.498 -5.548 1.00 0.00 C ATOM 601 CG PRO A 38 -11.748 10.388 -4.316 1.00 0.00 C ATOM 602 CD PRO A 38 -11.202 11.730 -4.805 1.00 0.00 C ATOM 0 HA PRO A 38 -11.080 10.211 -7.545 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.403 8.730 -5.555 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.669 8.983 -5.570 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.781 10.472 -3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.169 9.998 -3.479 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.675 12.560 -4.280 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.130 11.807 -4.622 1.00 0.00 H new ATOM 610 N ASP A 39 -14.142 10.991 -6.820 1.00 0.00 N ATOM 611 CA ASP A 39 -15.508 10.842 -7.305 1.00 0.00 C ATOM 612 C ASP A 39 -15.644 11.347 -8.742 1.00 0.00 C ATOM 613 O ASP A 39 -16.480 10.867 -9.505 1.00 0.00 O ATOM 614 CB ASP A 39 -16.466 11.585 -6.368 1.00 0.00 C ATOM 615 CG ASP A 39 -17.905 11.567 -6.915 1.00 0.00 C ATOM 616 OD1 ASP A 39 -18.521 10.475 -6.942 1.00 0.00 O ATOM 617 OD2 ASP A 39 -18.410 12.648 -7.299 1.00 0.00 O ATOM 0 H ASP A 39 -14.028 11.667 -6.065 1.00 0.00 H new ATOM 0 HA ASP A 39 -15.766 9.783 -7.310 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.444 11.124 -5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -16.133 12.616 -6.246 1.00 0.00 H new ATOM 622 N GLN A 40 -14.748 12.248 -9.140 1.00 0.00 N ATOM 623 CA GLN A 40 -14.747 12.919 -10.439 1.00 0.00 C ATOM 624 C GLN A 40 -13.762 12.237 -11.403 1.00 0.00 C ATOM 625 O GLN A 40 -13.694 12.586 -12.574 1.00 0.00 O ATOM 626 CB GLN A 40 -14.464 14.412 -10.140 1.00 0.00 C ATOM 627 CG GLN A 40 -13.993 15.280 -11.311 1.00 0.00 C ATOM 628 CD GLN A 40 -13.941 16.768 -10.940 1.00 0.00 C ATOM 629 OE1 GLN A 40 -12.918 17.276 -10.491 1.00 0.00 O ATOM 630 NE2 GLN A 40 -15.031 17.501 -11.109 1.00 0.00 N ATOM 0 H GLN A 40 -13.974 12.542 -8.545 1.00 0.00 H new ATOM 0 HA GLN A 40 -15.699 12.848 -10.965 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -15.374 14.855 -9.735 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.709 14.463 -9.356 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.004 14.951 -11.631 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.665 15.141 -12.158 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.879 17.075 -11.482 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.022 18.492 -10.866 1.00 0.00 H new ATOM 639 N GLN A 41 -13.039 11.210 -10.966 1.00 0.00 N ATOM 640 CA GLN A 41 -11.917 10.611 -11.669 1.00 0.00 C ATOM 641 C GLN A 41 -12.299 9.165 -11.987 1.00 0.00 C ATOM 642 O GLN A 41 -12.868 8.508 -11.119 1.00 0.00 O ATOM 643 CB GLN A 41 -10.803 10.719 -10.612 1.00 0.00 C ATOM 644 CG GLN A 41 -9.376 10.355 -11.004 1.00 0.00 C ATOM 645 CD GLN A 41 -8.559 10.014 -9.761 1.00 0.00 C ATOM 646 OE1 GLN A 41 -8.050 8.915 -9.662 1.00 0.00 O ATOM 647 NE2 GLN A 41 -8.447 10.873 -8.761 1.00 0.00 N ATOM 0 H GLN A 41 -13.230 10.755 -10.073 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.624 11.066 -12.615 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.793 11.747 -10.248 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -11.085 10.086 -9.771 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.384 9.506 -11.687 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.914 11.187 -11.535 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.870 11.798 -8.834 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.937 10.610 -7.918 1.00 0.00 H new ATOM 656 N ARG A 42 -11.984 8.629 -13.170 1.00 0.00 N ATOM 657 CA ARG A 42 -12.218 7.194 -13.457 1.00 0.00 C ATOM 658 C ARG A 42 -10.902 6.491 -13.730 1.00 0.00 C ATOM 659 O ARG A 42 -9.922 7.123 -14.100 1.00 0.00 O ATOM 660 CB ARG A 42 -13.195 6.995 -14.637 1.00 0.00 C ATOM 661 CG ARG A 42 -14.505 6.319 -14.197 1.00 0.00 C ATOM 662 CD ARG A 42 -15.642 6.504 -15.217 1.00 0.00 C ATOM 663 NE ARG A 42 -16.870 5.787 -14.798 1.00 0.00 N ATOM 664 CZ ARG A 42 -17.982 5.616 -15.530 1.00 0.00 C ATOM 665 NH1 ARG A 42 -18.058 6.071 -16.772 1.00 0.00 N ATOM 666 NH2 ARG A 42 -19.033 4.988 -15.012 1.00 0.00 N ATOM 0 H ARG A 42 -11.571 9.152 -13.942 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.680 6.752 -12.575 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.420 7.962 -15.087 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.715 6.389 -15.406 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.327 5.254 -14.047 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.815 6.729 -13.236 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.860 7.566 -15.331 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.321 6.138 -16.192 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.870 5.384 -13.861 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.264 6.560 -17.186 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -18.911 5.933 -17.315 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -18.996 4.635 -14.056 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.877 4.860 -15.571 1.00 0.00 H new ATOM 680 N LEU A 43 -10.929 5.166 -13.608 1.00 0.00 N ATOM 681 CA LEU A 43 -9.762 4.314 -13.758 1.00 0.00 C ATOM 682 C LEU A 43 -10.074 3.226 -14.760 1.00 0.00 C ATOM 683 O LEU A 43 -11.070 2.522 -14.632 1.00 0.00 O ATOM 684 CB LEU A 43 -9.368 3.727 -12.379 1.00 0.00 C ATOM 685 CG LEU A 43 -7.900 3.980 -12.023 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.559 5.470 -12.032 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.609 3.454 -10.617 1.00 0.00 C ATOM 0 H LEU A 43 -11.782 4.648 -13.398 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.914 4.889 -14.129 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.004 4.163 -11.609 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.557 2.654 -12.379 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.299 3.467 -12.774 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.508 5.604 -11.774 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.744 5.880 -13.025 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.181 5.990 -11.303 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.563 3.637 -10.369 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.247 3.967 -9.897 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.809 2.383 -10.581 1.00 0.00 H new ATOM 699 N ILE A 44 -9.197 3.092 -15.740 1.00 0.00 N ATOM 700 CA ILE A 44 -9.180 2.021 -16.736 1.00 0.00 C ATOM 701 C ILE A 44 -7.927 1.194 -16.540 1.00 0.00 C ATOM 702 O ILE A 44 -6.898 1.696 -16.099 1.00 0.00 O ATOM 703 CB ILE A 44 -9.285 2.634 -18.157 1.00 0.00 C ATOM 704 CG1 ILE A 44 -10.701 3.226 -18.293 1.00 0.00 C ATOM 705 CG2 ILE A 44 -8.987 1.772 -19.400 1.00 0.00 C ATOM 706 CD1 ILE A 44 -10.726 4.729 -18.073 1.00 0.00 C ATOM 0 H ILE A 44 -8.437 3.758 -15.874 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.036 1.356 -16.615 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.461 3.348 -18.184 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.092 3.001 -19.285 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -11.363 2.745 -17.573 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.113 2.375 -20.299 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -7.962 1.404 -19.351 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.675 0.927 -19.430 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.747 5.095 -18.180 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.362 4.956 -17.071 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.087 5.215 -18.810 1.00 0.00 H new ATOM 718 N PHE A 45 -8.013 -0.067 -16.941 1.00 0.00 N ATOM 719 CA PHE A 45 -6.879 -0.957 -17.048 1.00 0.00 C ATOM 720 C PHE A 45 -7.133 -1.816 -18.274 1.00 0.00 C ATOM 721 O PHE A 45 -8.196 -2.405 -18.378 1.00 0.00 O ATOM 722 CB PHE A 45 -6.803 -1.814 -15.781 1.00 0.00 C ATOM 723 CG PHE A 45 -5.760 -2.907 -15.854 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.418 -2.560 -16.086 1.00 0.00 C ATOM 725 CD2 PHE A 45 -6.127 -4.258 -15.709 1.00 0.00 C ATOM 726 CE1 PHE A 45 -3.432 -3.562 -16.144 1.00 0.00 C ATOM 727 CE2 PHE A 45 -5.143 -5.258 -15.777 1.00 0.00 C ATOM 728 CZ PHE A 45 -3.797 -4.912 -15.980 1.00 0.00 C ATOM 0 H PHE A 45 -8.896 -0.504 -17.206 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.934 -0.423 -17.146 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.584 -1.170 -14.929 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.778 -2.265 -15.598 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.144 -1.524 -16.220 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.161 -4.525 -15.546 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.399 -3.297 -16.314 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.422 -6.296 -15.673 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.041 -5.683 -16.010 1.00 0.00 H new ATOM 738 N ALA A 46 -6.183 -1.858 -19.207 1.00 0.00 N ATOM 739 CA ALA A 46 -6.171 -2.801 -20.330 1.00 0.00 C ATOM 740 C ALA A 46 -7.454 -2.811 -21.174 1.00 0.00 C ATOM 741 O ALA A 46 -7.940 -3.860 -21.614 1.00 0.00 O ATOM 742 CB ALA A 46 -5.823 -4.188 -19.788 1.00 0.00 C ATOM 0 H ALA A 46 -5.383 -1.226 -19.205 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.410 -2.467 -21.035 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.809 -4.906 -20.608 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.842 -4.158 -19.315 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.570 -4.490 -19.054 1.00 0.00 H new ATOM 748 N GLY A 47 -8.005 -1.620 -21.388 1.00 0.00 N ATOM 749 CA GLY A 47 -9.201 -1.431 -22.204 1.00 0.00 C ATOM 750 C GLY A 47 -10.470 -1.865 -21.467 1.00 0.00 C ATOM 751 O GLY A 47 -11.435 -2.307 -22.089 1.00 0.00 O ATOM 0 H GLY A 47 -7.633 -0.754 -20.998 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.286 -0.381 -22.486 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.104 -2.002 -23.127 1.00 0.00 H new ATOM 755 N LYS A 48 -10.466 -1.745 -20.137 1.00 0.00 N ATOM 756 CA LYS A 48 -11.540 -2.136 -19.229 1.00 0.00 C ATOM 757 C LYS A 48 -11.553 -1.096 -18.126 1.00 0.00 C ATOM 758 O LYS A 48 -10.558 -0.422 -17.928 1.00 0.00 O ATOM 759 CB LYS A 48 -11.263 -3.595 -18.790 1.00 0.00 C ATOM 760 CG LYS A 48 -12.072 -4.093 -17.585 1.00 0.00 C ATOM 761 CD LYS A 48 -11.737 -5.546 -17.199 1.00 0.00 C ATOM 762 CE LYS A 48 -11.975 -6.599 -18.301 1.00 0.00 C ATOM 763 NZ LYS A 48 -13.415 -6.818 -18.610 1.00 0.00 N ATOM 0 H LYS A 48 -9.667 -1.350 -19.640 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.542 -2.149 -19.659 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.463 -4.253 -19.635 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.203 -3.689 -18.556 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.881 -3.442 -16.732 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.136 -4.018 -17.812 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.690 -5.591 -16.898 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.332 -5.818 -16.327 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.460 -6.286 -19.209 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.530 -7.545 -17.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.504 -7.536 -19.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.908 -7.145 -17.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.840 -5.926 -18.934 1.00 0.00 H new ATOM 777 N GLN A 49 -12.653 -0.900 -17.425 1.00 0.00 N ATOM 778 CA GLN A 49 -12.833 0.143 -16.426 1.00 0.00 C ATOM 779 C GLN A 49 -12.969 -0.541 -15.070 1.00 0.00 C ATOM 780 O GLN A 49 -13.511 -1.645 -14.977 1.00 0.00 O ATOM 781 CB GLN A 49 -14.092 0.920 -16.822 1.00 0.00 C ATOM 782 CG GLN A 49 -14.460 2.061 -15.872 1.00 0.00 C ATOM 783 CD GLN A 49 -15.669 2.831 -16.400 1.00 0.00 C ATOM 784 OE1 GLN A 49 -15.525 3.870 -17.028 1.00 0.00 O ATOM 785 NE2 GLN A 49 -16.876 2.328 -16.188 1.00 0.00 N ATOM 0 H GLN A 49 -13.481 -1.485 -17.538 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.998 0.841 -16.367 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.951 1.329 -17.823 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.930 0.225 -16.876 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -14.681 1.661 -14.882 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.612 2.737 -15.761 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.982 1.460 -15.662 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.700 2.808 -16.550 1.00 0.00 H new ATOM 794 N LEU A 50 -12.471 0.126 -14.033 1.00 0.00 N ATOM 795 CA LEU A 50 -12.450 -0.401 -12.671 1.00 0.00 C ATOM 796 C LEU A 50 -13.479 0.340 -11.825 1.00 0.00 C ATOM 797 O LEU A 50 -13.933 1.418 -12.208 1.00 0.00 O ATOM 798 CB LEU A 50 -11.039 -0.291 -12.060 1.00 0.00 C ATOM 799 CG LEU A 50 -9.833 -0.530 -12.994 1.00 0.00 C ATOM 800 CD1 LEU A 50 -8.526 -0.531 -12.195 1.00 0.00 C ATOM 801 CD2 LEU A 50 -9.922 -1.804 -13.846 1.00 0.00 C ATOM 0 H LEU A 50 -12.066 1.058 -14.115 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.710 -1.459 -12.693 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.937 0.705 -11.628 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.973 -1.003 -11.238 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.850 0.302 -13.698 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.687 -0.701 -12.870 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.403 0.431 -11.698 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.557 -1.324 -11.448 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.032 -1.888 -14.469 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.991 -2.674 -13.193 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.806 -1.756 -14.481 1.00 0.00 H new ATOM 813 N GLU A 51 -13.798 -0.202 -10.648 1.00 0.00 N ATOM 814 CA GLU A 51 -14.709 0.428 -9.698 1.00 0.00 C ATOM 815 C GLU A 51 -14.013 0.585 -8.355 1.00 0.00 C ATOM 816 O GLU A 51 -13.115 -0.179 -8.016 1.00 0.00 O ATOM 817 CB GLU A 51 -16.065 -0.295 -9.644 1.00 0.00 C ATOM 818 CG GLU A 51 -16.002 -1.644 -8.927 1.00 0.00 C ATOM 819 CD GLU A 51 -17.353 -2.378 -8.933 1.00 0.00 C ATOM 820 OE1 GLU A 51 -18.346 -1.847 -8.376 1.00 0.00 O ATOM 821 OE2 GLU A 51 -17.419 -3.517 -9.454 1.00 0.00 O ATOM 0 H GLU A 51 -13.427 -1.097 -10.328 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.961 1.434 -10.034 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.790 0.344 -9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.428 -0.448 -10.660 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.249 -2.271 -9.405 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.681 -1.490 -7.897 1.00 0.00 H new ATOM 828 N ASP A 52 -14.440 1.593 -7.598 1.00 0.00 N ATOM 829 CA ASP A 52 -13.782 2.076 -6.382 1.00 0.00 C ATOM 830 C ASP A 52 -13.642 0.980 -5.332 1.00 0.00 C ATOM 831 O ASP A 52 -12.631 0.915 -4.634 1.00 0.00 O ATOM 832 CB ASP A 52 -14.560 3.277 -5.824 1.00 0.00 C ATOM 833 CG ASP A 52 -14.184 4.568 -6.563 1.00 0.00 C ATOM 834 OD1 ASP A 52 -12.997 4.943 -6.545 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.048 5.183 -7.230 1.00 0.00 O ATOM 0 H ASP A 52 -15.286 2.117 -7.822 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.771 2.388 -6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.631 3.098 -5.920 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.350 3.388 -4.760 1.00 0.00 H new ATOM 840 N GLY A 53 -14.632 0.089 -5.266 1.00 0.00 N ATOM 841 CA GLY A 53 -14.699 -0.987 -4.289 1.00 0.00 C ATOM 842 C GLY A 53 -13.863 -2.214 -4.650 1.00 0.00 C ATOM 843 O GLY A 53 -13.901 -3.199 -3.908 1.00 0.00 O ATOM 0 H GLY A 53 -15.425 0.100 -5.907 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.367 -0.607 -3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.739 -1.292 -4.171 1.00 0.00 H new ATOM 847 N ARG A 54 -13.123 -2.194 -5.765 1.00 0.00 N ATOM 848 CA ARG A 54 -12.316 -3.322 -6.223 1.00 0.00 C ATOM 849 C ARG A 54 -10.851 -3.020 -5.987 1.00 0.00 C ATOM 850 O ARG A 54 -10.525 -1.932 -5.526 1.00 0.00 O ATOM 851 CB ARG A 54 -12.678 -3.628 -7.682 1.00 0.00 C ATOM 852 CG ARG A 54 -14.038 -4.355 -7.726 1.00 0.00 C ATOM 853 CD ARG A 54 -14.316 -5.090 -9.046 1.00 0.00 C ATOM 854 NE ARG A 54 -14.752 -6.477 -8.836 1.00 0.00 N ATOM 855 CZ ARG A 54 -15.986 -6.941 -8.625 1.00 0.00 C ATOM 856 NH1 ARG A 54 -17.053 -6.144 -8.660 1.00 0.00 N ATOM 857 NH2 ARG A 54 -16.142 -8.235 -8.365 1.00 0.00 N ATOM 0 H ARG A 54 -13.070 -1.382 -6.380 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.526 -4.229 -5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.727 -2.704 -8.258 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.906 -4.248 -8.138 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.080 -5.073 -6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.832 -3.628 -7.554 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.083 -4.552 -9.603 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.414 -5.085 -9.658 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.013 -7.180 -8.854 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.940 -5.149 -8.852 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.983 -6.529 -8.495 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.329 -8.850 -8.330 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.075 -8.613 -8.200 1.00 0.00 H new ATOM 871 N THR A 55 -9.952 -3.952 -6.279 1.00 0.00 N ATOM 872 CA THR A 55 -8.540 -3.808 -5.974 1.00 0.00 C ATOM 873 C THR A 55 -7.726 -4.145 -7.194 1.00 0.00 C ATOM 874 O THR A 55 -8.229 -4.726 -8.154 1.00 0.00 O ATOM 875 CB THR A 55 -8.137 -4.741 -4.834 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.445 -6.077 -5.199 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.803 -4.416 -3.509 1.00 0.00 C ATOM 0 H THR A 55 -10.187 -4.833 -6.737 1.00 0.00 H new ATOM 0 HA THR A 55 -8.355 -2.777 -5.671 1.00 0.00 H new ATOM 0 HB THR A 55 -7.066 -4.605 -4.682 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.187 -6.682 -4.473 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.466 -5.122 -2.750 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.536 -3.403 -3.206 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.885 -4.489 -3.618 1.00 0.00 H new ATOM 885 N LEU A 56 -6.443 -3.817 -7.131 1.00 0.00 N ATOM 886 CA LEU A 56 -5.521 -4.130 -8.220 1.00 0.00 C ATOM 887 C LEU A 56 -5.526 -5.642 -8.490 1.00 0.00 C ATOM 888 O LEU A 56 -5.718 -6.066 -9.629 1.00 0.00 O ATOM 889 CB LEU A 56 -4.119 -3.573 -7.887 1.00 0.00 C ATOM 890 CG LEU A 56 -4.109 -2.080 -7.520 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.677 -1.586 -7.331 1.00 0.00 C ATOM 892 CD2 LEU A 56 -4.780 -1.228 -8.606 1.00 0.00 C ATOM 0 H LEU A 56 -6.015 -3.335 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.842 -3.648 -9.144 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.701 -4.143 -7.057 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.464 -3.730 -8.744 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.668 -1.976 -6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.689 -0.527 -7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.200 -2.151 -6.530 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.118 -1.727 -8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.755 -0.179 -8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.247 -1.354 -9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.816 -1.545 -8.729 1.00 0.00 H new ATOM 904 N SER A 57 -5.441 -6.444 -7.437 1.00 0.00 N ATOM 905 CA SER A 57 -5.537 -7.895 -7.481 1.00 0.00 C ATOM 906 C SER A 57 -6.861 -8.374 -8.069 1.00 0.00 C ATOM 907 O SER A 57 -6.863 -9.406 -8.745 1.00 0.00 O ATOM 908 CB SER A 57 -5.393 -8.463 -6.071 1.00 0.00 C ATOM 909 OG SER A 57 -4.031 -8.597 -5.725 1.00 0.00 O ATOM 0 H SER A 57 -5.298 -6.087 -6.492 1.00 0.00 H new ATOM 0 HA SER A 57 -4.733 -8.249 -8.127 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.892 -7.808 -5.357 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.886 -9.433 -6.012 1.00 0.00 H new ATOM 0 HG SER A 57 -3.958 -8.961 -4.818 1.00 0.00 H new ATOM 915 N ASP A 58 -7.975 -7.659 -7.866 1.00 0.00 N ATOM 916 CA ASP A 58 -9.254 -8.087 -8.423 1.00 0.00 C ATOM 917 C ASP A 58 -9.201 -8.062 -9.955 1.00 0.00 C ATOM 918 O ASP A 58 -9.796 -8.911 -10.626 1.00 0.00 O ATOM 919 CB ASP A 58 -10.377 -7.200 -7.905 1.00 0.00 C ATOM 920 CG ASP A 58 -11.731 -7.891 -8.121 1.00 0.00 C ATOM 921 OD1 ASP A 58 -12.328 -7.772 -9.212 1.00 0.00 O ATOM 922 OD2 ASP A 58 -12.223 -8.553 -7.177 1.00 0.00 O ATOM 0 H ASP A 58 -8.012 -6.794 -7.327 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.453 -9.111 -8.105 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.229 -6.993 -6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.362 -6.240 -8.422 1.00 0.00 H new ATOM 927 N TYR A 59 -8.383 -7.150 -10.496 1.00 0.00 N ATOM 928 CA TYR A 59 -8.111 -6.992 -11.924 1.00 0.00 C ATOM 929 C TYR A 59 -6.813 -7.685 -12.348 1.00 0.00 C ATOM 930 O TYR A 59 -6.386 -7.563 -13.496 1.00 0.00 O ATOM 931 CB TYR A 59 -8.117 -5.499 -12.258 1.00 0.00 C ATOM 932 CG TYR A 59 -9.445 -4.835 -11.960 1.00 0.00 C ATOM 933 CD1 TYR A 59 -10.577 -5.132 -12.742 1.00 0.00 C ATOM 934 CD2 TYR A 59 -9.566 -3.971 -10.856 1.00 0.00 C ATOM 935 CE1 TYR A 59 -11.825 -4.565 -12.427 1.00 0.00 C ATOM 936 CE2 TYR A 59 -10.815 -3.436 -10.517 1.00 0.00 C ATOM 937 CZ TYR A 59 -11.947 -3.713 -11.311 1.00 0.00 C ATOM 938 OH TYR A 59 -13.136 -3.123 -11.002 1.00 0.00 O ATOM 0 H TYR A 59 -7.874 -6.476 -9.924 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.895 -7.487 -12.498 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.332 -5.001 -11.689 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.879 -5.367 -13.313 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.487 -5.798 -13.587 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.695 -3.720 -10.269 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.688 -4.782 -13.039 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.912 -2.808 -9.643 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.858 -3.565 -11.495 1.00 0.00 H new ATOM 948 N ASN A 60 -6.201 -8.440 -11.431 1.00 0.00 N ATOM 949 CA ASN A 60 -4.972 -9.210 -11.592 1.00 0.00 C ATOM 950 C ASN A 60 -3.755 -8.346 -11.959 1.00 0.00 C ATOM 951 O ASN A 60 -2.748 -8.852 -12.458 1.00 0.00 O ATOM 952 CB ASN A 60 -5.190 -10.404 -12.540 1.00 0.00 C ATOM 953 CG ASN A 60 -4.428 -11.620 -12.037 1.00 0.00 C ATOM 954 OD1 ASN A 60 -3.432 -12.055 -12.615 1.00 0.00 O ATOM 955 ND2 ASN A 60 -4.901 -12.197 -10.939 1.00 0.00 N ATOM 0 H ASN A 60 -6.582 -8.533 -10.490 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.720 -9.623 -10.615 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.253 -10.634 -12.608 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.855 -10.146 -13.545 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.437 -13.021 -10.555 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.728 -11.817 -10.479 1.00 0.00 H new ATOM 962 N ILE A 61 -3.843 -7.042 -11.697 1.00 0.00 N ATOM 963 CA ILE A 61 -2.741 -6.096 -11.768 1.00 0.00 C ATOM 964 C ILE A 61 -1.736 -6.518 -10.687 1.00 0.00 C ATOM 965 O ILE A 61 -2.124 -6.916 -9.583 1.00 0.00 O ATOM 966 CB ILE A 61 -3.313 -4.684 -11.503 1.00 0.00 C ATOM 967 CG1 ILE A 61 -4.300 -4.239 -12.599 1.00 0.00 C ATOM 968 CG2 ILE A 61 -2.221 -3.616 -11.328 1.00 0.00 C ATOM 969 CD1 ILE A 61 -5.259 -3.154 -12.110 1.00 0.00 C ATOM 0 H ILE A 61 -4.721 -6.603 -11.419 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.244 -6.083 -12.738 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.852 -4.770 -10.560 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.742 -3.867 -13.458 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.873 -5.101 -12.940 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.686 -2.647 -11.145 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.586 -3.880 -10.482 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.616 -3.563 -12.233 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.934 -2.874 -12.918 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.838 -3.533 -11.268 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.689 -2.280 -11.794 1.00 0.00 H new ATOM 981 N GLN A 62 -0.449 -6.379 -10.994 1.00 0.00 N ATOM 982 CA GLN A 62 0.656 -6.647 -10.080 1.00 0.00 C ATOM 983 C GLN A 62 1.513 -5.380 -10.012 1.00 0.00 C ATOM 984 O GLN A 62 1.101 -4.314 -10.470 1.00 0.00 O ATOM 985 CB GLN A 62 1.446 -7.878 -10.580 1.00 0.00 C ATOM 986 CG GLN A 62 0.558 -9.126 -10.723 1.00 0.00 C ATOM 987 CD GLN A 62 1.342 -10.342 -11.228 1.00 0.00 C ATOM 988 OE1 GLN A 62 2.337 -10.758 -10.632 1.00 0.00 O ATOM 989 NE2 GLN A 62 0.917 -10.940 -12.334 1.00 0.00 N ATOM 0 H GLN A 62 -0.138 -6.067 -11.914 1.00 0.00 H new ATOM 0 HA GLN A 62 0.308 -6.885 -9.075 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.902 -7.647 -11.543 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.259 -8.091 -9.886 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.108 -9.361 -9.759 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.259 -8.911 -11.412 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.092 -10.588 -12.820 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.415 -11.752 -12.698 1.00 0.00 H new ATOM 998 N LYS A 63 2.699 -5.459 -9.409 1.00 0.00 N ATOM 999 CA LYS A 63 3.672 -4.380 -9.427 1.00 0.00 C ATOM 1000 C LYS A 63 4.111 -4.051 -10.838 1.00 0.00 C ATOM 1001 O LYS A 63 3.903 -4.829 -11.770 1.00 0.00 O ATOM 1002 CB LYS A 63 4.874 -4.759 -8.560 1.00 0.00 C ATOM 1003 CG LYS A 63 5.842 -5.793 -9.143 1.00 0.00 C ATOM 1004 CD LYS A 63 6.803 -6.206 -8.017 1.00 0.00 C ATOM 1005 CE LYS A 63 7.880 -7.197 -8.466 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.027 -6.562 -9.160 1.00 0.00 N ATOM 0 H LYS A 63 3.009 -6.282 -8.892 1.00 0.00 H new ATOM 0 HA LYS A 63 3.202 -3.485 -9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.436 -3.851 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.501 -5.139 -7.609 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.298 -6.659 -9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.393 -5.372 -9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.285 -5.314 -7.616 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.228 -6.650 -7.204 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.249 -7.738 -7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.428 -7.934 -9.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.655 -7.299 -9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.676 -5.972 -9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.554 -5.969 -8.488 1.00 0.00 H new ATOM 1020 N GLU A 64 4.761 -2.899 -10.934 1.00 0.00 N ATOM 1021 CA GLU A 64 5.312 -2.304 -12.134 1.00 0.00 C ATOM 1022 C GLU A 64 4.363 -2.496 -13.328 1.00 0.00 C ATOM 1023 O GLU A 64 4.755 -2.904 -14.423 1.00 0.00 O ATOM 1024 CB GLU A 64 6.791 -2.709 -12.308 1.00 0.00 C ATOM 1025 CG GLU A 64 7.094 -4.119 -12.816 1.00 0.00 C ATOM 1026 CD GLU A 64 8.559 -4.506 -12.556 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.442 -4.162 -13.378 1.00 0.00 O ATOM 1028 OE2 GLU A 64 8.830 -5.171 -11.528 1.00 0.00 O ATOM 0 H GLU A 64 4.926 -2.317 -10.113 1.00 0.00 H new ATOM 0 HA GLU A 64 5.366 -1.218 -12.051 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.253 -2.000 -12.995 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.286 -2.588 -11.345 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.434 -4.834 -12.324 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.885 -4.175 -13.884 1.00 0.00 H new ATOM 1035 N SER A 65 3.076 -2.218 -13.075 1.00 0.00 N ATOM 1036 CA SER A 65 2.011 -2.435 -14.054 1.00 0.00 C ATOM 1037 C SER A 65 1.340 -1.100 -14.328 1.00 0.00 C ATOM 1038 O SER A 65 1.330 -0.226 -13.465 1.00 0.00 O ATOM 1039 CB SER A 65 1.023 -3.491 -13.546 1.00 0.00 C ATOM 1040 OG SER A 65 1.623 -4.772 -13.440 1.00 0.00 O ATOM 0 H SER A 65 2.749 -1.837 -12.187 1.00 0.00 H new ATOM 0 HA SER A 65 2.419 -2.820 -14.988 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.638 -3.189 -12.572 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.170 -3.545 -14.223 1.00 0.00 H new ATOM 0 HG SER A 65 2.404 -4.719 -12.851 1.00 0.00 H new ATOM 1046 N THR A 66 0.782 -0.946 -15.519 1.00 0.00 N ATOM 1047 CA THR A 66 0.297 0.336 -16.015 1.00 0.00 C ATOM 1048 C THR A 66 -1.225 0.375 -15.952 1.00 0.00 C ATOM 1049 O THR A 66 -1.900 -0.622 -16.190 1.00 0.00 O ATOM 1050 CB THR A 66 0.836 0.604 -17.442 1.00 0.00 C ATOM 1051 OG1 THR A 66 2.223 0.310 -17.495 1.00 0.00 O ATOM 1052 CG2 THR A 66 0.629 2.049 -17.924 1.00 0.00 C ATOM 0 H THR A 66 0.651 -1.715 -16.176 1.00 0.00 H new ATOM 0 HA THR A 66 0.672 1.138 -15.379 1.00 0.00 H new ATOM 0 HB THR A 66 0.262 -0.045 -18.103 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.559 0.480 -18.400 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.032 2.158 -18.931 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.436 2.281 -17.933 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.144 2.734 -17.251 1.00 0.00 H new ATOM 1060 N LEU A 67 -1.752 1.559 -15.659 1.00 0.00 N ATOM 1061 CA LEU A 67 -3.158 1.896 -15.504 1.00 0.00 C ATOM 1062 C LEU A 67 -3.482 3.110 -16.373 1.00 0.00 C ATOM 1063 O LEU A 67 -2.559 3.738 -16.882 1.00 0.00 O ATOM 1064 CB LEU A 67 -3.358 2.227 -14.014 1.00 0.00 C ATOM 1065 CG LEU A 67 -4.542 1.528 -13.375 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -4.273 0.031 -13.277 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.752 2.079 -11.969 1.00 0.00 C ATOM 0 H LEU A 67 -1.155 2.373 -15.512 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.813 1.081 -15.811 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.454 1.957 -13.469 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.485 3.304 -13.907 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.428 1.701 -13.986 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.129 -0.463 -12.817 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.113 -0.376 -14.275 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.385 -0.140 -12.669 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.603 1.579 -11.506 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.858 1.902 -11.372 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.946 3.150 -12.023 1.00 0.00 H new ATOM 1079 N HIS A 68 -4.754 3.495 -16.489 1.00 0.00 N ATOM 1080 CA HIS A 68 -5.163 4.661 -17.290 1.00 0.00 C ATOM 1081 C HIS A 68 -6.072 5.560 -16.443 1.00 0.00 C ATOM 1082 O HIS A 68 -6.950 5.029 -15.759 1.00 0.00 O ATOM 1083 CB HIS A 68 -5.908 4.157 -18.541 1.00 0.00 C ATOM 1084 CG HIS A 68 -5.094 4.024 -19.803 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -4.180 3.041 -20.117 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -5.268 4.778 -20.927 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -3.825 3.200 -21.406 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -4.454 4.262 -21.935 1.00 0.00 N ATOM 0 H HIS A 68 -5.530 3.013 -16.035 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.294 5.241 -17.600 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.341 3.184 -18.311 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.737 4.836 -18.740 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -3.834 2.320 -19.484 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.925 5.630 -21.020 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.133 2.564 -21.938 1.00 0.00 H new ATOM 1095 N LEU A 69 -5.924 6.897 -16.496 1.00 0.00 N ATOM 1096 CA LEU A 69 -6.685 7.822 -15.654 1.00 0.00 C ATOM 1097 C LEU A 69 -7.521 8.722 -16.537 1.00 0.00 C ATOM 1098 O LEU A 69 -6.941 9.431 -17.354 1.00 0.00 O ATOM 1099 CB LEU A 69 -5.664 8.692 -14.903 1.00 0.00 C ATOM 1100 CG LEU A 69 -6.131 9.513 -13.707 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -7.007 10.708 -14.067 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -6.825 8.606 -12.708 1.00 0.00 C ATOM 0 H LEU A 69 -5.271 7.361 -17.127 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.333 7.279 -14.966 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.863 8.037 -14.560 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.225 9.381 -15.624 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.237 9.948 -13.260 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.294 11.236 -13.158 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.452 11.383 -14.718 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.902 10.361 -14.583 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.159 9.194 -11.853 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.686 8.134 -13.182 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.130 7.837 -12.370 1.00 0.00 H new ATOM 1114 N VAL A 70 -8.837 8.772 -16.343 1.00 0.00 N ATOM 1115 CA VAL A 70 -9.673 9.723 -17.077 1.00 0.00 C ATOM 1116 C VAL A 70 -10.377 10.637 -16.094 1.00 0.00 C ATOM 1117 O VAL A 70 -10.534 10.321 -14.917 1.00 0.00 O ATOM 1118 CB VAL A 70 -10.677 9.029 -18.027 1.00 0.00 C ATOM 1119 CG1 VAL A 70 -10.049 8.032 -19.000 1.00 0.00 C ATOM 1120 CG2 VAL A 70 -11.790 8.275 -17.296 1.00 0.00 C ATOM 0 H VAL A 70 -9.344 8.173 -15.692 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.023 10.317 -17.719 1.00 0.00 H new ATOM 0 HB VAL A 70 -11.082 9.876 -18.581 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.827 7.595 -19.626 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.323 8.546 -19.630 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.548 7.243 -18.439 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.456 7.814 -18.025 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.352 7.502 -16.665 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.356 8.972 -16.677 1.00 0.00 H new ATOM 1130 N LEU A 71 -10.889 11.731 -16.626 1.00 0.00 N ATOM 1131 CA LEU A 71 -11.786 12.633 -15.940 1.00 0.00 C ATOM 1132 C LEU A 71 -13.172 12.195 -16.357 1.00 0.00 C ATOM 1133 O LEU A 71 -13.428 12.044 -17.546 1.00 0.00 O ATOM 1134 CB LEU A 71 -11.503 14.043 -16.469 1.00 0.00 C ATOM 1135 CG LEU A 71 -12.100 15.248 -15.726 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -13.392 15.708 -16.412 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -12.346 15.032 -14.233 1.00 0.00 C ATOM 0 H LEU A 71 -10.683 12.023 -17.581 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.676 12.627 -14.856 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.421 14.174 -16.495 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.854 14.085 -17.500 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.337 16.024 -15.783 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.805 16.562 -15.875 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.175 15.996 -17.441 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.116 14.893 -16.408 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.768 15.938 -13.799 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.043 14.205 -14.095 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.403 14.798 -13.739 1.00 0.00 H new ATOM 1149 N ARG A 72 -14.072 12.055 -15.400 1.00 0.00 N ATOM 1150 CA ARG A 72 -15.465 11.691 -15.650 1.00 0.00 C ATOM 1151 C ARG A 72 -16.442 12.707 -15.086 1.00 0.00 C ATOM 1152 O ARG A 72 -17.589 12.367 -14.838 1.00 0.00 O ATOM 1153 CB ARG A 72 -15.722 10.250 -15.184 1.00 0.00 C ATOM 1154 CG ARG A 72 -15.819 10.055 -13.652 1.00 0.00 C ATOM 1155 CD ARG A 72 -17.161 9.417 -13.261 1.00 0.00 C ATOM 1156 NE ARG A 72 -17.303 9.286 -11.795 1.00 0.00 N ATOM 1157 CZ ARG A 72 -18.172 8.511 -11.131 1.00 0.00 C ATOM 1158 NH1 ARG A 72 -18.991 7.685 -11.774 1.00 0.00 N ATOM 1159 NH2 ARG A 72 -18.205 8.572 -9.807 1.00 0.00 N ATOM 0 H ARG A 72 -13.858 12.192 -14.412 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.646 11.716 -16.725 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.649 9.900 -15.637 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.922 9.615 -15.564 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -14.999 9.424 -13.310 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.711 11.017 -13.152 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.979 10.023 -13.652 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.244 8.433 -13.723 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.670 9.848 -11.226 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.966 7.632 -12.792 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.645 7.104 -11.249 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -17.575 9.202 -9.310 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.860 7.989 -9.286 1.00 0.00 H new ATOM 1331 N ILE B 683 -6.220 15.802 -20.979 1.00 0.00 N ATOM 1332 CA ILE B 683 -6.587 14.845 -22.004 1.00 0.00 C ATOM 1333 C ILE B 683 -5.864 15.180 -23.321 1.00 0.00 C ATOM 1334 O ILE B 683 -5.672 16.350 -23.655 1.00 0.00 O ATOM 1335 CB ILE B 683 -8.125 14.745 -22.142 1.00 0.00 C ATOM 1336 CG1 ILE B 683 -9.001 15.063 -20.898 1.00 0.00 C ATOM 1337 CG2 ILE B 683 -8.495 13.377 -22.709 1.00 0.00 C ATOM 1338 CD1 ILE B 683 -9.002 14.079 -19.708 1.00 0.00 C ATOM 0 HA ILE B 683 -6.255 13.849 -21.713 1.00 0.00 H new ATOM 0 HB ILE B 683 -8.370 15.564 -22.818 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -8.691 16.037 -20.519 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -10.031 15.167 -21.239 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -9.578 13.305 -22.807 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -8.033 13.252 -23.688 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -8.138 12.596 -22.037 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -9.665 14.453 -18.927 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -9.351 13.102 -20.044 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -7.991 13.986 -19.312 1.00 0.00 H new ATOM 1350 N ASP B 684 -5.463 14.140 -24.056 1.00 0.00 N ATOM 1351 CA ASP B 684 -4.650 14.168 -25.271 1.00 0.00 C ATOM 1352 C ASP B 684 -5.088 12.975 -26.134 1.00 0.00 C ATOM 1353 O ASP B 684 -5.366 11.908 -25.572 1.00 0.00 O ATOM 1354 CB ASP B 684 -3.167 14.012 -24.897 1.00 0.00 C ATOM 1355 CG ASP B 684 -2.253 13.875 -26.121 1.00 0.00 C ATOM 1356 OD1 ASP B 684 -2.162 12.757 -26.679 1.00 0.00 O ATOM 1357 OD2 ASP B 684 -1.614 14.879 -26.518 1.00 0.00 O ATOM 0 H ASP B 684 -5.718 13.187 -23.797 1.00 0.00 H new ATOM 0 HA ASP B 684 -4.779 15.108 -25.808 1.00 0.00 H new ATOM 0 HB2 ASP B 684 -2.853 14.875 -24.310 1.00 0.00 H new ATOM 0 HB3 ASP B 684 -3.048 13.134 -24.261 1.00 0.00 H new ATOM 1362 N PRO B 685 -5.170 13.110 -27.473 1.00 0.00 N ATOM 1363 CA PRO B 685 -5.733 12.081 -28.340 1.00 0.00 C ATOM 1364 C PRO B 685 -5.024 10.730 -28.236 1.00 0.00 C ATOM 1365 O PRO B 685 -5.689 9.714 -28.408 1.00 0.00 O ATOM 1366 CB PRO B 685 -5.681 12.640 -29.770 1.00 0.00 C ATOM 1367 CG PRO B 685 -4.663 13.774 -29.698 1.00 0.00 C ATOM 1368 CD PRO B 685 -4.793 14.274 -28.261 1.00 0.00 C ATOM 0 HA PRO B 685 -6.755 11.866 -28.029 1.00 0.00 H new ATOM 0 HB2 PRO B 685 -5.375 11.876 -30.484 1.00 0.00 H new ATOM 0 HB3 PRO B 685 -6.658 13.003 -30.091 1.00 0.00 H new ATOM 0 HG2 PRO B 685 -3.654 13.422 -29.911 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -4.886 14.561 -30.419 1.00 0.00 H new ATOM 0 HD2 PRO B 685 -3.853 14.699 -27.908 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -5.546 15.059 -28.186 1.00 0.00 H new ATOM 1376 N GLN B 686 -3.720 10.677 -27.949 1.00 0.00 N ATOM 1377 CA GLN B 686 -2.963 9.428 -28.019 1.00 0.00 C ATOM 1378 C GLN B 686 -3.474 8.446 -26.955 1.00 0.00 C ATOM 1379 O GLN B 686 -3.892 7.332 -27.273 1.00 0.00 O ATOM 1380 CB GLN B 686 -1.464 9.724 -27.830 1.00 0.00 C ATOM 1381 CG GLN B 686 -0.885 10.603 -28.955 1.00 0.00 C ATOM 1382 CD GLN B 686 0.451 11.219 -28.545 1.00 0.00 C ATOM 1383 OE1 GLN B 686 1.521 10.782 -28.968 1.00 0.00 O ATOM 1384 NE2 GLN B 686 0.419 12.241 -27.704 1.00 0.00 N ATOM 0 H GLN B 686 -3.168 11.487 -27.666 1.00 0.00 H new ATOM 0 HA GLN B 686 -3.102 8.967 -28.997 1.00 0.00 H new ATOM 0 HB2 GLN B 686 -1.314 10.222 -26.872 1.00 0.00 H new ATOM 0 HB3 GLN B 686 -0.914 8.784 -27.790 1.00 0.00 H new ATOM 0 HG2 GLN B 686 -0.751 10.003 -29.855 1.00 0.00 H new ATOM 0 HG3 GLN B 686 -1.593 11.395 -29.202 1.00 0.00 H new ATOM 0 HE21 GLN B 686 -0.475 12.592 -27.362 1.00 0.00 H new ATOM 0 HE22 GLN B 686 1.289 12.677 -27.398 1.00 0.00 H new ATOM 1393 N VAL B 687 -3.509 8.867 -25.688 1.00 0.00 N ATOM 1394 CA VAL B 687 -3.962 7.997 -24.604 1.00 0.00 C ATOM 1395 C VAL B 687 -5.460 7.751 -24.737 1.00 0.00 C ATOM 1396 O VAL B 687 -5.952 6.648 -24.523 1.00 0.00 O ATOM 1397 CB VAL B 687 -3.649 8.621 -23.236 1.00 0.00 C ATOM 1398 CG1 VAL B 687 -3.829 7.559 -22.149 1.00 0.00 C ATOM 1399 CG2 VAL B 687 -2.228 9.189 -23.173 1.00 0.00 C ATOM 0 H VAL B 687 -3.230 9.802 -25.390 1.00 0.00 H new ATOM 0 HA VAL B 687 -3.431 7.047 -24.674 1.00 0.00 H new ATOM 0 HB VAL B 687 -4.338 9.450 -23.078 1.00 0.00 H new ATOM 0 HG11 VAL B 687 -3.608 7.995 -21.175 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -4.857 7.197 -22.160 1.00 0.00 H new ATOM 0 HG13 VAL B 687 -3.150 6.727 -22.337 1.00 0.00 H new ATOM 0 HG21 VAL B 687 -2.052 9.620 -22.187 1.00 0.00 H new ATOM 0 HG22 VAL B 687 -1.509 8.390 -23.354 1.00 0.00 H new ATOM 0 HG23 VAL B 687 -2.111 9.962 -23.933 1.00 0.00 H new ATOM 1409 N PHE B 688 -6.194 8.789 -25.113 1.00 0.00 N ATOM 1410 CA PHE B 688 -7.615 8.750 -25.346 1.00 0.00 C ATOM 1411 C PHE B 688 -7.978 7.781 -26.491 1.00 0.00 C ATOM 1412 O PHE B 688 -9.116 7.322 -26.540 1.00 0.00 O ATOM 1413 CB PHE B 688 -8.022 10.192 -25.582 1.00 0.00 C ATOM 1414 CG PHE B 688 -9.516 10.391 -25.796 1.00 0.00 C ATOM 1415 CD1 PHE B 688 -10.420 10.382 -24.715 1.00 0.00 C ATOM 1416 CD2 PHE B 688 -10.012 10.529 -27.108 1.00 0.00 C ATOM 1417 CE1 PHE B 688 -11.806 10.503 -24.945 1.00 0.00 C ATOM 1418 CE2 PHE B 688 -11.393 10.668 -27.337 1.00 0.00 C ATOM 1419 CZ PHE B 688 -12.287 10.669 -26.255 1.00 0.00 C ATOM 0 H PHE B 688 -5.792 9.713 -25.268 1.00 0.00 H new ATOM 0 HA PHE B 688 -8.171 8.347 -24.499 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -7.705 10.792 -24.729 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -7.488 10.571 -26.453 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -10.050 10.282 -23.705 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -9.327 10.528 -27.943 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -12.497 10.468 -24.116 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -11.765 10.774 -28.345 1.00 0.00 H new ATOM 0 HZ PHE B 688 -13.345 10.797 -26.429 1.00 0.00 H new ATOM 1429 N TYR B 689 -7.035 7.411 -27.369 1.00 0.00 N ATOM 1430 CA TYR B 689 -7.221 6.385 -28.389 1.00 0.00 C ATOM 1431 C TYR B 689 -6.867 4.989 -27.848 1.00 0.00 C ATOM 1432 O TYR B 689 -7.526 4.010 -28.203 1.00 0.00 O ATOM 1433 CB TYR B 689 -6.360 6.727 -29.611 1.00 0.00 C ATOM 1434 CG TYR B 689 -6.796 6.024 -30.880 1.00 0.00 C ATOM 1435 CD1 TYR B 689 -7.769 6.628 -31.700 1.00 0.00 C ATOM 1436 CD2 TYR B 689 -6.235 4.786 -31.242 1.00 0.00 C ATOM 1437 CE1 TYR B 689 -8.200 5.984 -32.872 1.00 0.00 C ATOM 1438 CE2 TYR B 689 -6.660 4.136 -32.417 1.00 0.00 C ATOM 1439 CZ TYR B 689 -7.647 4.732 -33.235 1.00 0.00 C ATOM 1440 OH TYR B 689 -8.047 4.094 -34.371 1.00 0.00 O ATOM 0 H TYR B 689 -6.105 7.829 -27.385 1.00 0.00 H new ATOM 0 HA TYR B 689 -8.271 6.363 -28.679 1.00 0.00 H new ATOM 0 HB2 TYR B 689 -6.389 7.804 -29.775 1.00 0.00 H new ATOM 0 HB3 TYR B 689 -5.324 6.465 -29.399 1.00 0.00 H new ATOM 0 HD1 TYR B 689 -8.184 7.587 -31.428 1.00 0.00 H new ATOM 0 HD2 TYR B 689 -5.478 4.334 -30.619 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -8.953 6.444 -33.496 1.00 0.00 H new ATOM 0 HE2 TYR B 689 -6.232 3.183 -32.693 1.00 0.00 H new ATOM 0 HH TYR B 689 -7.560 3.248 -34.460 1.00 0.00 H new ATOM 1450 N GLU B 690 -5.856 4.882 -26.972 1.00 0.00 N ATOM 1451 CA GLU B 690 -5.554 3.656 -26.215 1.00 0.00 C ATOM 1452 C GLU B 690 -6.753 3.246 -25.333 1.00 0.00 C ATOM 1453 O GLU B 690 -6.997 2.066 -25.075 1.00 0.00 O ATOM 1454 CB GLU B 690 -4.291 3.891 -25.372 1.00 0.00 C ATOM 1455 CG GLU B 690 -3.620 2.597 -24.892 1.00 0.00 C ATOM 1456 CD GLU B 690 -3.089 1.739 -26.056 1.00 0.00 C ATOM 1457 OE1 GLU B 690 -2.011 2.056 -26.609 1.00 0.00 O ATOM 1458 OE2 GLU B 690 -3.739 0.730 -26.421 1.00 0.00 O ATOM 0 H GLU B 690 -5.219 5.651 -26.767 1.00 0.00 H new ATOM 0 HA GLU B 690 -5.372 2.834 -26.907 1.00 0.00 H new ATOM 0 HB2 GLU B 690 -3.574 4.465 -25.959 1.00 0.00 H new ATOM 0 HB3 GLU B 690 -4.551 4.498 -24.505 1.00 0.00 H new ATOM 0 HG2 GLU B 690 -2.796 2.846 -24.223 1.00 0.00 H new ATOM 0 HG3 GLU B 690 -4.336 2.014 -24.313 1.00 0.00 H new ATOM 1465 N LEU B 691 -7.522 4.246 -24.908 1.00 0.00 N ATOM 1466 CA LEU B 691 -8.732 4.158 -24.115 1.00 0.00 C ATOM 1467 C LEU B 691 -9.812 3.287 -24.782 1.00 0.00 C ATOM 1468 O LEU B 691 -9.974 3.367 -25.998 1.00 0.00 O ATOM 1469 CB LEU B 691 -9.259 5.600 -23.973 1.00 0.00 C ATOM 1470 CG LEU B 691 -9.827 5.970 -22.612 1.00 0.00 C ATOM 1471 CD1 LEU B 691 -8.707 5.970 -21.573 1.00 0.00 C ATOM 1472 CD2 LEU B 691 -10.557 7.308 -22.692 1.00 0.00 C ATOM 0 H LEU B 691 -7.291 5.214 -25.131 1.00 0.00 H new ATOM 0 HA LEU B 691 -8.507 3.693 -23.155 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -8.446 6.288 -24.204 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -10.034 5.758 -24.723 1.00 0.00 H new ATOM 0 HG LEU B 691 -10.562 5.229 -22.299 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -9.115 6.235 -20.598 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -8.259 4.978 -21.521 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -7.946 6.697 -21.858 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -10.959 7.562 -21.711 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -9.861 8.084 -23.011 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -11.373 7.235 -23.411 1.00 0.00 H new ATOM 1484 N PRO B 692 -10.643 2.559 -24.013 1.00 0.00 N ATOM 1485 CA PRO B 692 -11.827 1.870 -24.536 1.00 0.00 C ATOM 1486 C PRO B 692 -12.841 2.864 -25.104 1.00 0.00 C ATOM 1487 O PRO B 692 -13.040 3.937 -24.532 1.00 0.00 O ATOM 1488 CB PRO B 692 -12.423 1.126 -23.333 1.00 0.00 C ATOM 1489 CG PRO B 692 -11.988 2.024 -22.177 1.00 0.00 C ATOM 1490 CD PRO B 692 -10.567 2.371 -22.574 1.00 0.00 C ATOM 0 HA PRO B 692 -11.568 1.196 -25.352 1.00 0.00 H new ATOM 0 HB2 PRO B 692 -13.507 1.039 -23.400 1.00 0.00 H new ATOM 0 HB3 PRO B 692 -12.028 0.115 -23.239 1.00 0.00 H new ATOM 0 HG2 PRO B 692 -12.616 2.910 -22.089 1.00 0.00 H new ATOM 0 HG3 PRO B 692 -12.030 1.507 -21.219 1.00 0.00 H new ATOM 0 HD2 PRO B 692 -10.221 3.274 -22.071 1.00 0.00 H new ATOM 0 HD3 PRO B 692 -9.872 1.573 -22.311 1.00 0.00 H new ATOM 1498 N GLU B 693 -13.532 2.502 -26.186 1.00 0.00 N ATOM 1499 CA GLU B 693 -14.457 3.410 -26.858 1.00 0.00 C ATOM 1500 C GLU B 693 -15.623 3.785 -25.945 1.00 0.00 C ATOM 1501 O GLU B 693 -15.999 4.949 -25.908 1.00 0.00 O ATOM 1502 CB GLU B 693 -14.954 2.784 -28.173 1.00 0.00 C ATOM 1503 CG GLU B 693 -15.724 3.825 -29.005 1.00 0.00 C ATOM 1504 CD GLU B 693 -16.403 3.263 -30.267 1.00 0.00 C ATOM 1505 OE1 GLU B 693 -15.869 2.331 -30.914 1.00 0.00 O ATOM 1506 OE2 GLU B 693 -17.477 3.806 -30.629 1.00 0.00 O ATOM 0 H GLU B 693 -13.466 1.580 -26.616 1.00 0.00 H new ATOM 0 HA GLU B 693 -13.925 4.331 -27.097 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -14.107 2.405 -28.746 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -15.599 1.932 -27.957 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -16.484 4.285 -28.374 1.00 0.00 H new ATOM 0 HG3 GLU B 693 -15.035 4.616 -29.301 1.00 0.00 H new ATOM 1513 N ALA B 694 -16.173 2.850 -25.168 1.00 0.00 N ATOM 1514 CA ALA B 694 -17.364 3.134 -24.369 1.00 0.00 C ATOM 1515 C ALA B 694 -17.071 4.169 -23.273 1.00 0.00 C ATOM 1516 O ALA B 694 -17.889 5.050 -23.013 1.00 0.00 O ATOM 1517 CB ALA B 694 -17.922 1.832 -23.794 1.00 0.00 C ATOM 0 H ALA B 694 -15.816 1.899 -25.076 1.00 0.00 H new ATOM 0 HA ALA B 694 -18.124 3.575 -25.014 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -18.810 2.048 -23.199 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -18.186 1.158 -24.609 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -17.168 1.360 -23.163 1.00 0.00 H new ATOM 1523 N VAL B 695 -15.874 4.127 -22.676 1.00 0.00 N ATOM 1524 CA VAL B 695 -15.494 5.151 -21.696 1.00 0.00 C ATOM 1525 C VAL B 695 -15.238 6.461 -22.433 1.00 0.00 C ATOM 1526 O VAL B 695 -15.665 7.503 -21.942 1.00 0.00 O ATOM 1527 CB VAL B 695 -14.294 4.728 -20.827 1.00 0.00 C ATOM 1528 CG1 VAL B 695 -14.106 5.707 -19.660 1.00 0.00 C ATOM 1529 CG2 VAL B 695 -14.478 3.325 -20.216 1.00 0.00 C ATOM 0 H VAL B 695 -15.166 3.413 -22.848 1.00 0.00 H new ATOM 0 HA VAL B 695 -16.317 5.286 -20.994 1.00 0.00 H new ATOM 0 HB VAL B 695 -13.428 4.726 -21.489 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -13.254 5.394 -19.056 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -13.925 6.708 -20.051 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -15.005 5.715 -19.043 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -13.606 3.074 -19.613 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -15.369 3.316 -19.588 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -14.590 2.592 -21.015 1.00 0.00 H new ATOM 1539 N GLN B 696 -14.614 6.441 -23.626 1.00 0.00 N ATOM 1540 CA GLN B 696 -14.466 7.667 -24.409 1.00 0.00 C ATOM 1541 C GLN B 696 -15.843 8.287 -24.665 1.00 0.00 C ATOM 1542 O GLN B 696 -16.006 9.492 -24.536 1.00 0.00 O ATOM 1543 CB GLN B 696 -13.804 7.426 -25.782 1.00 0.00 C ATOM 1544 CG GLN B 696 -12.348 6.960 -25.808 1.00 0.00 C ATOM 1545 CD GLN B 696 -11.964 6.551 -27.240 1.00 0.00 C ATOM 1546 OE1 GLN B 696 -12.246 7.261 -28.204 1.00 0.00 O ATOM 1547 NE2 GLN B 696 -11.391 5.374 -27.444 1.00 0.00 N ATOM 0 H GLN B 696 -14.215 5.606 -24.055 1.00 0.00 H new ATOM 0 HA GLN B 696 -13.826 8.328 -23.825 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -14.401 6.685 -26.314 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -13.867 8.354 -26.350 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -11.693 7.759 -25.459 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -12.213 6.118 -25.130 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -11.153 4.778 -26.651 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -11.187 5.064 -28.394 1.00 0.00 H new ATOM 1556 N LYS B 697 -16.835 7.456 -24.994 1.00 0.00 N ATOM 1557 CA LYS B 697 -18.221 7.847 -25.246 1.00 0.00 C ATOM 1558 C LYS B 697 -18.779 8.629 -24.059 1.00 0.00 C ATOM 1559 O LYS B 697 -19.374 9.689 -24.262 1.00 0.00 O ATOM 1560 CB LYS B 697 -19.076 6.591 -25.528 1.00 0.00 C ATOM 1561 CG LYS B 697 -20.141 6.786 -26.620 1.00 0.00 C ATOM 1562 CD LYS B 697 -19.736 6.175 -27.975 1.00 0.00 C ATOM 1563 CE LYS B 697 -18.515 6.863 -28.613 1.00 0.00 C ATOM 1564 NZ LYS B 697 -18.310 6.423 -30.024 1.00 0.00 N ATOM 0 H LYS B 697 -16.687 6.452 -25.096 1.00 0.00 H new ATOM 0 HA LYS B 697 -18.254 8.495 -26.122 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -18.416 5.774 -25.821 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -19.569 6.286 -24.605 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -21.077 6.336 -26.290 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -20.328 7.852 -26.750 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -19.517 5.116 -27.837 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -20.580 6.239 -28.661 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -18.650 7.944 -28.585 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -17.623 6.638 -28.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -17.591 7.025 -30.474 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -17.990 5.433 -30.036 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -19.206 6.504 -30.546 1.00 0.00 H new ATOM 1578 N GLU B 698 -18.547 8.139 -22.836 1.00 0.00 N ATOM 1579 CA GLU B 698 -18.971 8.837 -21.615 1.00 0.00 C ATOM 1580 C GLU B 698 -18.325 10.214 -21.615 1.00 0.00 C ATOM 1581 O GLU B 698 -18.995 11.234 -21.502 1.00 0.00 O ATOM 1582 CB GLU B 698 -18.533 8.111 -20.318 1.00 0.00 C ATOM 1583 CG GLU B 698 -19.586 8.222 -19.211 1.00 0.00 C ATOM 1584 CD GLU B 698 -20.541 7.019 -19.201 1.00 0.00 C ATOM 1585 OE1 GLU B 698 -21.532 7.017 -19.968 1.00 0.00 O ATOM 1586 OE2 GLU B 698 -20.302 6.081 -18.402 1.00 0.00 O ATOM 0 H GLU B 698 -18.065 7.257 -22.664 1.00 0.00 H new ATOM 0 HA GLU B 698 -20.060 8.879 -21.621 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -18.347 7.059 -20.537 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -17.592 8.534 -19.966 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -19.089 8.298 -18.244 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -20.160 9.139 -19.347 1.00 0.00 H new ATOM 1593 N LEU B 699 -17.001 10.202 -21.761 1.00 0.00 N ATOM 1594 CA LEU B 699 -16.143 11.352 -21.587 1.00 0.00 C ATOM 1595 C LEU B 699 -16.550 12.436 -22.550 1.00 0.00 C ATOM 1596 O LEU B 699 -16.962 13.479 -22.091 1.00 0.00 O ATOM 1597 CB LEU B 699 -14.688 10.917 -21.805 1.00 0.00 C ATOM 1598 CG LEU B 699 -13.956 10.405 -20.556 1.00 0.00 C ATOM 1599 CD1 LEU B 699 -14.827 9.806 -19.442 1.00 0.00 C ATOM 1600 CD2 LEU B 699 -12.914 9.388 -21.023 1.00 0.00 C ATOM 0 H LEU B 699 -16.487 9.357 -22.013 1.00 0.00 H new ATOM 0 HA LEU B 699 -16.237 11.754 -20.578 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -14.671 10.132 -22.562 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -14.131 11.762 -22.210 1.00 0.00 H new ATOM 0 HG LEU B 699 -13.516 11.281 -20.079 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -14.192 9.482 -18.618 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -15.529 10.559 -19.085 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -15.379 8.951 -19.832 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -12.372 9.001 -20.161 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -13.413 8.566 -21.537 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -12.214 9.871 -21.705 1.00 0.00 H new ATOM 1612 N LEU B 700 -16.505 12.194 -23.855 1.00 0.00 N ATOM 1613 CA LEU B 700 -16.808 13.217 -24.846 1.00 0.00 C ATOM 1614 C LEU B 700 -18.233 13.745 -24.686 1.00 0.00 C ATOM 1615 O LEU B 700 -18.438 14.950 -24.809 1.00 0.00 O ATOM 1616 CB LEU B 700 -16.514 12.724 -26.273 1.00 0.00 C ATOM 1617 CG LEU B 700 -17.387 11.546 -26.731 1.00 0.00 C ATOM 1618 CD1 LEU B 700 -18.567 12.007 -27.595 1.00 0.00 C ATOM 1619 CD2 LEU B 700 -16.545 10.515 -27.488 1.00 0.00 C ATOM 0 H LEU B 700 -16.259 11.288 -24.253 1.00 0.00 H new ATOM 0 HA LEU B 700 -16.143 14.062 -24.668 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -16.652 13.554 -26.966 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -15.466 12.429 -26.334 1.00 0.00 H new ATOM 0 HG LEU B 700 -17.798 11.081 -25.835 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -19.157 11.142 -27.896 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -19.193 12.691 -27.021 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -18.191 12.517 -28.482 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -17.181 9.688 -27.805 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -16.097 10.984 -28.364 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -15.758 10.138 -26.835 1.00 0.00 H new ATOM 1631 N ALA B 701 -19.208 12.880 -24.387 1.00 0.00 N ATOM 1632 CA ALA B 701 -20.597 13.299 -24.291 1.00 0.00 C ATOM 1633 C ALA B 701 -20.798 14.180 -23.062 1.00 0.00 C ATOM 1634 O ALA B 701 -21.394 15.249 -23.168 1.00 0.00 O ATOM 1635 CB ALA B 701 -21.493 12.060 -24.260 1.00 0.00 C ATOM 0 H ALA B 701 -19.054 11.888 -24.209 1.00 0.00 H new ATOM 0 HA ALA B 701 -20.869 13.896 -25.162 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -22.536 12.367 -24.188 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -21.347 11.482 -25.173 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -21.235 11.446 -23.397 1.00 0.00 H new ATOM 1641 N GLU B 702 -20.258 13.775 -21.918 1.00 0.00 N ATOM 1642 CA GLU B 702 -20.308 14.547 -20.691 1.00 0.00 C ATOM 1643 C GLU B 702 -19.476 15.809 -20.800 1.00 0.00 C ATOM 1644 O GLU B 702 -19.927 16.854 -20.343 1.00 0.00 O ATOM 1645 CB GLU B 702 -19.783 13.714 -19.519 1.00 0.00 C ATOM 1646 CG GLU B 702 -20.664 12.549 -19.079 1.00 0.00 C ATOM 1647 CD GLU B 702 -22.022 12.958 -18.470 1.00 0.00 C ATOM 1648 OE1 GLU B 702 -22.354 14.163 -18.420 1.00 0.00 O ATOM 1649 OE2 GLU B 702 -22.767 12.076 -17.980 1.00 0.00 O ATOM 0 H GLU B 702 -19.767 12.887 -21.820 1.00 0.00 H new ATOM 0 HA GLU B 702 -21.349 14.821 -20.520 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -18.803 13.321 -19.789 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -19.637 14.376 -18.665 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -20.847 11.905 -19.939 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -20.117 11.955 -18.347 1.00 0.00 H new ATOM 1656 N TRP B 703 -18.299 15.738 -21.421 1.00 0.00 N ATOM 1657 CA TRP B 703 -17.421 16.879 -21.560 1.00 0.00 C ATOM 1658 C TRP B 703 -18.165 17.964 -22.347 1.00 0.00 C ATOM 1659 O TRP B 703 -18.209 19.130 -21.957 1.00 0.00 O ATOM 1660 CB TRP B 703 -16.136 16.505 -22.320 1.00 0.00 C ATOM 1661 CG TRP B 703 -15.068 15.606 -21.723 1.00 0.00 C ATOM 1662 CD1 TRP B 703 -14.907 15.205 -20.438 1.00 0.00 C ATOM 1663 CD2 TRP B 703 -13.994 14.934 -22.453 1.00 0.00 C ATOM 1664 NE1 TRP B 703 -13.839 14.334 -20.336 1.00 0.00 N ATOM 1665 CE2 TRP B 703 -13.209 14.164 -21.544 1.00 0.00 C ATOM 1666 CE3 TRP B 703 -13.619 14.889 -23.812 1.00 0.00 C ATOM 1667 CZ2 TRP B 703 -12.106 13.394 -21.960 1.00 0.00 C ATOM 1668 CZ3 TRP B 703 -12.547 14.092 -24.245 1.00 0.00 C ATOM 1669 CH2 TRP B 703 -11.784 13.358 -23.323 1.00 0.00 C ATOM 0 H TRP B 703 -17.935 14.882 -21.840 1.00 0.00 H new ATOM 0 HA TRP B 703 -17.141 17.232 -20.568 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -16.450 16.038 -23.254 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -15.644 17.442 -22.582 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -15.526 15.521 -19.611 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -13.554 13.875 -19.471 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -14.166 15.478 -24.533 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -11.519 12.841 -21.242 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -12.307 14.043 -25.297 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -10.948 12.765 -23.665 1.00 0.00 H new