USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 716 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 82 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.24) USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 105 MET CE :methyl -175:sc= 0 (180deg=-0.00592) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc=-0.00883 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0429 X(o=-0.043,f=-0.043) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= 0.121 (180deg=0.0698) USER MOD Single : A 52 MET CE :methyl -169:sc= -5.2! (180deg=-5.49!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 68 LYS NZ :NH3+ -175:sc= 1.25 (180deg=1.21) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.6!) USER MOD Single : A 73 MET CE :methyl -108:sc= -1.34 (180deg=-3.93!) USER MOD Single : A 74 ASN : amide:sc= -0.069 X(o=-0.069,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -161:sc= -0.192 (180deg=-0.744) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -130:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ -124:sc= 0.226 (180deg=0.00095) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot -42:sc= 1.09 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 37 30.866 2.176 2.211 1.00 0.00 N ATOM 2 CA GLY A 37 29.794 1.880 1.278 1.00 0.00 C ATOM 3 C GLY A 37 28.680 2.908 1.330 1.00 0.00 C ATOM 4 O GLY A 37 28.916 4.099 1.129 1.00 0.00 O ATOM 0 HA2 GLY A 37 30.198 1.837 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 37 29.385 0.894 1.500 1.00 0.00 H new ATOM 8 N SER A 38 27.463 2.447 1.599 1.00 0.00 N ATOM 9 CA SER A 38 26.308 3.334 1.671 1.00 0.00 C ATOM 10 C SER A 38 26.354 4.183 2.938 1.00 0.00 C ATOM 11 O SER A 38 27.018 3.830 3.912 1.00 0.00 O ATOM 12 CB SER A 38 25.012 2.522 1.634 1.00 0.00 C ATOM 13 OG SER A 38 24.876 1.725 2.798 1.00 0.00 O ATOM 0 H SER A 38 27.251 1.464 1.771 1.00 0.00 H new ATOM 0 HA SER A 38 26.336 3.999 0.808 1.00 0.00 H new ATOM 0 HB2 SER A 38 24.159 3.196 1.549 1.00 0.00 H new ATOM 0 HB3 SER A 38 25.004 1.884 0.750 1.00 0.00 H new ATOM 0 HG SER A 38 24.039 1.217 2.751 1.00 0.00 H new ATOM 19 N SER A 39 25.643 5.306 2.916 1.00 0.00 N ATOM 20 CA SER A 39 25.604 6.209 4.060 1.00 0.00 C ATOM 21 C SER A 39 24.775 5.615 5.194 1.00 0.00 C ATOM 22 O SER A 39 25.146 5.706 6.363 1.00 0.00 O ATOM 23 CB SER A 39 25.028 7.565 3.647 1.00 0.00 C ATOM 24 OG SER A 39 23.680 7.439 3.226 1.00 0.00 O ATOM 0 H SER A 39 25.086 5.612 2.118 1.00 0.00 H new ATOM 0 HA SER A 39 26.625 6.349 4.415 1.00 0.00 H new ATOM 0 HB2 SER A 39 25.087 8.259 4.485 1.00 0.00 H new ATOM 0 HB3 SER A 39 25.627 7.987 2.840 1.00 0.00 H new ATOM 0 HG SER A 39 23.334 8.319 2.969 1.00 0.00 H new ATOM 30 N GLY A 40 23.648 5.005 4.838 1.00 0.00 N ATOM 31 CA GLY A 40 22.783 4.404 5.835 1.00 0.00 C ATOM 32 C GLY A 40 21.603 5.288 6.187 1.00 0.00 C ATOM 33 O GLY A 40 21.518 6.430 5.737 1.00 0.00 O ATOM 0 H GLY A 40 23.319 4.917 3.876 1.00 0.00 H new ATOM 0 HA2 GLY A 40 22.418 3.446 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 40 23.361 4.198 6.736 1.00 0.00 H new ATOM 37 N SER A 41 20.688 4.759 6.994 1.00 0.00 N ATOM 38 CA SER A 41 19.504 5.505 7.401 1.00 0.00 C ATOM 39 C SER A 41 19.756 6.253 8.707 1.00 0.00 C ATOM 40 O SER A 41 20.483 5.776 9.578 1.00 0.00 O ATOM 41 CB SER A 41 18.311 4.562 7.563 1.00 0.00 C ATOM 42 OG SER A 41 18.537 3.627 8.603 1.00 0.00 O ATOM 0 H SER A 41 20.745 3.816 7.379 1.00 0.00 H new ATOM 0 HA SER A 41 19.279 6.233 6.622 1.00 0.00 H new ATOM 0 HB2 SER A 41 17.413 5.141 7.779 1.00 0.00 H new ATOM 0 HB3 SER A 41 18.132 4.033 6.627 1.00 0.00 H new ATOM 0 HG SER A 41 17.759 3.037 8.687 1.00 0.00 H new ATOM 48 N SER A 42 19.150 7.429 8.835 1.00 0.00 N ATOM 49 CA SER A 42 19.311 8.246 10.032 1.00 0.00 C ATOM 50 C SER A 42 18.403 7.751 11.154 1.00 0.00 C ATOM 51 O SER A 42 18.752 7.828 12.331 1.00 0.00 O ATOM 52 CB SER A 42 19.004 9.712 9.721 1.00 0.00 C ATOM 53 OG SER A 42 17.671 9.867 9.263 1.00 0.00 O ATOM 0 H SER A 42 18.543 7.837 8.124 1.00 0.00 H new ATOM 0 HA SER A 42 20.346 8.162 10.362 1.00 0.00 H new ATOM 0 HB2 SER A 42 19.158 10.317 10.615 1.00 0.00 H new ATOM 0 HB3 SER A 42 19.697 10.080 8.964 1.00 0.00 H new ATOM 0 HG SER A 42 17.498 10.813 9.073 1.00 0.00 H new ATOM 59 N GLY A 43 17.233 7.243 10.778 1.00 0.00 N ATOM 60 CA GLY A 43 16.291 6.743 11.763 1.00 0.00 C ATOM 61 C GLY A 43 14.890 7.282 11.551 1.00 0.00 C ATOM 62 O GLY A 43 13.912 6.542 11.652 1.00 0.00 O ATOM 0 H GLY A 43 16.921 7.169 9.810 1.00 0.00 H new ATOM 0 HA2 GLY A 43 16.268 5.654 11.720 1.00 0.00 H new ATOM 0 HA3 GLY A 43 16.635 7.015 12.761 1.00 0.00 H new ATOM 66 N GLN A 44 14.793 8.575 11.259 1.00 0.00 N ATOM 67 CA GLN A 44 13.501 9.212 11.035 1.00 0.00 C ATOM 68 C GLN A 44 12.785 8.587 9.842 1.00 0.00 C ATOM 69 O GLN A 44 13.420 8.149 8.883 1.00 0.00 O ATOM 70 CB GLN A 44 13.682 10.714 10.806 1.00 0.00 C ATOM 71 CG GLN A 44 14.341 11.431 11.973 1.00 0.00 C ATOM 72 CD GLN A 44 13.513 11.368 13.241 1.00 0.00 C ATOM 73 OE1 GLN A 44 12.521 12.083 13.385 1.00 0.00 O ATOM 74 NE2 GLN A 44 13.917 10.509 14.170 1.00 0.00 N ATOM 0 H GLN A 44 15.593 9.201 11.172 1.00 0.00 H new ATOM 0 HA GLN A 44 12.890 9.058 11.924 1.00 0.00 H new ATOM 0 HB2 GLN A 44 14.283 10.867 9.910 1.00 0.00 H new ATOM 0 HB3 GLN A 44 12.708 11.164 10.617 1.00 0.00 H new ATOM 0 HG2 GLN A 44 15.319 10.988 12.160 1.00 0.00 H new ATOM 0 HG3 GLN A 44 14.509 12.474 11.705 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.745 9.936 14.009 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.399 10.423 15.045 1.00 0.00 H new ATOM 83 N LYS A 45 11.458 8.547 9.909 1.00 0.00 N ATOM 84 CA LYS A 45 10.654 7.977 8.835 1.00 0.00 C ATOM 85 C LYS A 45 10.762 8.819 7.568 1.00 0.00 C ATOM 86 O LYS A 45 10.576 8.318 6.459 1.00 0.00 O ATOM 87 CB LYS A 45 9.190 7.871 9.267 1.00 0.00 C ATOM 88 CG LYS A 45 8.991 7.094 10.557 1.00 0.00 C ATOM 89 CD LYS A 45 9.478 5.661 10.426 1.00 0.00 C ATOM 90 CE LYS A 45 8.575 4.847 9.511 1.00 0.00 C ATOM 91 NZ LYS A 45 8.905 3.396 9.555 1.00 0.00 N ATOM 0 H LYS A 45 10.917 8.903 10.697 1.00 0.00 H new ATOM 0 HA LYS A 45 11.036 6.979 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.783 8.875 9.391 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.619 7.391 8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.527 7.589 11.367 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.935 7.097 10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.495 5.656 10.034 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.514 5.196 11.411 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.535 4.992 9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.672 5.211 8.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.268 2.876 8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.890 3.255 9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.788 3.043 10.526 1.00 0.00 H new ATOM 105 N VAL A 46 11.065 10.102 7.740 1.00 0.00 N ATOM 106 CA VAL A 46 11.201 11.014 6.610 1.00 0.00 C ATOM 107 C VAL A 46 11.766 10.296 5.389 1.00 0.00 C ATOM 108 O VAL A 46 11.205 10.372 4.297 1.00 0.00 O ATOM 109 CB VAL A 46 12.110 12.207 6.957 1.00 0.00 C ATOM 110 CG1 VAL A 46 12.316 13.094 5.739 1.00 0.00 C ATOM 111 CG2 VAL A 46 11.526 13.003 8.114 1.00 0.00 C ATOM 0 H VAL A 46 11.221 10.533 8.651 1.00 0.00 H new ATOM 0 HA VAL A 46 10.202 11.384 6.380 1.00 0.00 H new ATOM 0 HB VAL A 46 13.082 11.823 7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.961 13.932 6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.782 12.515 4.942 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.353 13.472 5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 46 12.182 13.842 8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.541 13.378 7.837 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.437 12.360 8.990 1.00 0.00 H new ATOM 121 N GLU A 47 12.881 9.599 5.584 1.00 0.00 N ATOM 122 CA GLU A 47 13.523 8.867 4.498 1.00 0.00 C ATOM 123 C GLU A 47 12.535 7.921 3.820 1.00 0.00 C ATOM 124 O GLU A 47 12.310 8.003 2.613 1.00 0.00 O ATOM 125 CB GLU A 47 14.723 8.077 5.025 1.00 0.00 C ATOM 126 CG GLU A 47 15.837 8.954 5.570 1.00 0.00 C ATOM 127 CD GLU A 47 16.683 9.573 4.474 1.00 0.00 C ATOM 128 OE1 GLU A 47 17.179 8.818 3.612 1.00 0.00 O ATOM 129 OE2 GLU A 47 16.848 10.810 4.479 1.00 0.00 O ATOM 0 H GLU A 47 13.358 9.526 6.483 1.00 0.00 H new ATOM 0 HA GLU A 47 13.869 9.592 3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.386 7.402 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.120 7.457 4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.404 9.746 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.475 8.360 6.224 1.00 0.00 H new ATOM 136 N PHE A 48 11.950 7.024 4.607 1.00 0.00 N ATOM 137 CA PHE A 48 10.987 6.062 4.084 1.00 0.00 C ATOM 138 C PHE A 48 9.921 6.760 3.245 1.00 0.00 C ATOM 139 O PHE A 48 9.735 6.442 2.070 1.00 0.00 O ATOM 140 CB PHE A 48 10.328 5.294 5.231 1.00 0.00 C ATOM 141 CG PHE A 48 9.392 4.213 4.770 1.00 0.00 C ATOM 142 CD1 PHE A 48 9.885 3.050 4.198 1.00 0.00 C ATOM 143 CD2 PHE A 48 8.022 4.359 4.907 1.00 0.00 C ATOM 144 CE1 PHE A 48 9.026 2.055 3.772 1.00 0.00 C ATOM 145 CE2 PHE A 48 7.158 3.367 4.483 1.00 0.00 C ATOM 146 CZ PHE A 48 7.662 2.212 3.916 1.00 0.00 C ATOM 0 H PHE A 48 12.126 6.943 5.608 1.00 0.00 H new ATOM 0 HA PHE A 48 11.523 5.359 3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.105 4.850 5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 48 9.779 5.996 5.859 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.951 2.921 4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.623 5.259 5.351 1.00 0.00 H new ATOM 0 HE1 PHE A 48 9.422 1.154 3.326 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.091 3.494 4.595 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.990 1.434 3.586 1.00 0.00 H new ATOM 156 N ARG A 49 9.224 7.711 3.857 1.00 0.00 N ATOM 157 CA ARG A 49 8.176 8.453 3.167 1.00 0.00 C ATOM 158 C ARG A 49 8.611 8.822 1.752 1.00 0.00 C ATOM 159 O ARG A 49 7.895 8.564 0.784 1.00 0.00 O ATOM 160 CB ARG A 49 7.819 9.719 3.949 1.00 0.00 C ATOM 161 CG ARG A 49 6.543 10.392 3.469 1.00 0.00 C ATOM 162 CD ARG A 49 6.155 11.556 4.368 1.00 0.00 C ATOM 163 NE ARG A 49 5.144 12.410 3.752 1.00 0.00 N ATOM 164 CZ ARG A 49 4.913 13.663 4.127 1.00 0.00 C ATOM 165 NH1 ARG A 49 5.618 14.205 5.110 1.00 0.00 N ATOM 166 NH2 ARG A 49 3.975 14.377 3.517 1.00 0.00 N ATOM 0 H ARG A 49 9.366 7.986 4.829 1.00 0.00 H new ATOM 0 HA ARG A 49 7.296 7.813 3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.712 9.466 5.004 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.644 10.427 3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 49 6.680 10.749 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.733 9.663 3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.777 11.172 5.315 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.041 12.149 4.596 1.00 0.00 H new ATOM 0 HE ARG A 49 4.584 12.023 2.992 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.340 13.660 5.581 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.438 15.168 5.396 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.431 13.963 2.760 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.798 15.339 3.806 1.00 0.00 H new ATOM 180 N LYS A 50 9.788 9.426 1.639 1.00 0.00 N ATOM 181 CA LYS A 50 10.321 9.830 0.343 1.00 0.00 C ATOM 182 C LYS A 50 10.342 8.653 -0.627 1.00 0.00 C ATOM 183 O LYS A 50 9.857 8.757 -1.754 1.00 0.00 O ATOM 184 CB LYS A 50 11.733 10.398 0.503 1.00 0.00 C ATOM 185 CG LYS A 50 11.788 11.662 1.343 1.00 0.00 C ATOM 186 CD LYS A 50 13.130 12.363 1.208 1.00 0.00 C ATOM 187 CE LYS A 50 14.212 11.656 2.009 1.00 0.00 C ATOM 188 NZ LYS A 50 15.456 12.470 2.101 1.00 0.00 N ATOM 0 H LYS A 50 10.392 9.647 2.430 1.00 0.00 H new ATOM 0 HA LYS A 50 9.670 10.603 -0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.371 9.641 0.959 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.145 10.609 -0.484 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.990 12.339 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.610 11.413 2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.419 12.399 0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.039 13.394 1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.841 11.445 3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.439 10.697 1.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.068 12.086 2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.960 12.438 1.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.210 13.455 2.327 1.00 0.00 H new ATOM 202 N ARG A 51 10.905 7.535 -0.181 1.00 0.00 N ATOM 203 CA ARG A 51 10.988 6.339 -1.011 1.00 0.00 C ATOM 204 C ARG A 51 9.626 5.994 -1.606 1.00 0.00 C ATOM 205 O ARG A 51 9.494 5.815 -2.816 1.00 0.00 O ATOM 206 CB ARG A 51 11.511 5.159 -0.190 1.00 0.00 C ATOM 207 CG ARG A 51 11.721 3.894 -1.006 1.00 0.00 C ATOM 208 CD ARG A 51 12.208 2.744 -0.138 1.00 0.00 C ATOM 209 NE ARG A 51 13.666 2.665 -0.103 1.00 0.00 N ATOM 210 CZ ARG A 51 14.344 2.011 0.833 1.00 0.00 C ATOM 211 NH1 ARG A 51 13.699 1.382 1.806 1.00 0.00 N ATOM 212 NH2 ARG A 51 15.670 1.984 0.797 1.00 0.00 N ATOM 0 H ARG A 51 11.310 7.432 0.749 1.00 0.00 H new ATOM 0 HA ARG A 51 11.681 6.541 -1.828 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.455 5.442 0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.808 4.949 0.616 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.786 3.614 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.446 4.086 -1.797 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.827 2.868 0.876 1.00 0.00 H new ATOM 0 HD3 ARG A 51 11.803 1.806 -0.518 1.00 0.00 H new ATOM 0 HE ARG A 51 14.192 3.138 -0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 51 12.680 1.400 1.837 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.222 0.880 2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.170 2.466 0.050 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.190 1.481 1.517 1.00 0.00 H new ATOM 226 N MET A 52 8.617 5.901 -0.746 1.00 0.00 N ATOM 227 CA MET A 52 7.265 5.578 -1.187 1.00 0.00 C ATOM 228 C MET A 52 6.808 6.534 -2.284 1.00 0.00 C ATOM 229 O MET A 52 6.277 6.108 -3.309 1.00 0.00 O ATOM 230 CB MET A 52 6.293 5.635 -0.007 1.00 0.00 C ATOM 231 CG MET A 52 6.360 4.413 0.895 1.00 0.00 C ATOM 232 SD MET A 52 7.965 4.226 1.694 1.00 0.00 S ATOM 233 CE MET A 52 8.820 3.198 0.503 1.00 0.00 C ATOM 0 H MET A 52 8.710 6.045 0.260 1.00 0.00 H new ATOM 0 HA MET A 52 7.274 4.566 -1.592 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.505 6.525 0.585 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.277 5.740 -0.388 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.585 4.487 1.658 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.145 3.520 0.307 1.00 0.00 H new ATOM 0 HE1 MET A 52 9.751 2.834 0.938 1.00 0.00 H new ATOM 0 HE2 MET A 52 8.189 2.351 0.234 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.041 3.783 -0.390 1.00 0.00 H new ATOM 243 N GLU A 53 7.017 7.828 -2.060 1.00 0.00 N ATOM 244 CA GLU A 53 6.625 8.844 -3.030 1.00 0.00 C ATOM 245 C GLU A 53 7.151 8.500 -4.421 1.00 0.00 C ATOM 246 O GLU A 53 6.418 8.562 -5.408 1.00 0.00 O ATOM 247 CB GLU A 53 7.144 10.218 -2.601 1.00 0.00 C ATOM 248 CG GLU A 53 6.543 10.716 -1.297 1.00 0.00 C ATOM 249 CD GLU A 53 7.179 12.006 -0.818 1.00 0.00 C ATOM 250 OE1 GLU A 53 8.385 12.204 -1.075 1.00 0.00 O ATOM 251 OE2 GLU A 53 6.471 12.817 -0.185 1.00 0.00 O ATOM 0 H GLU A 53 7.455 8.197 -1.216 1.00 0.00 H new ATOM 0 HA GLU A 53 5.536 8.872 -3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.228 10.171 -2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.930 10.940 -3.389 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.472 10.871 -1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.662 9.950 -0.531 1.00 0.00 H new ATOM 258 N LYS A 54 8.428 8.138 -4.491 1.00 0.00 N ATOM 259 CA LYS A 54 9.054 7.784 -5.759 1.00 0.00 C ATOM 260 C LYS A 54 8.426 6.523 -6.342 1.00 0.00 C ATOM 261 O LYS A 54 8.099 6.473 -7.528 1.00 0.00 O ATOM 262 CB LYS A 54 10.558 7.575 -5.567 1.00 0.00 C ATOM 263 CG LYS A 54 11.326 7.449 -6.872 1.00 0.00 C ATOM 264 CD LYS A 54 11.434 8.786 -7.586 1.00 0.00 C ATOM 265 CE LYS A 54 12.401 9.721 -6.876 1.00 0.00 C ATOM 266 NZ LYS A 54 12.917 10.781 -7.786 1.00 0.00 N ATOM 0 H LYS A 54 9.049 8.082 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 54 8.893 8.605 -6.457 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.963 8.411 -4.996 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.718 6.676 -4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.325 7.061 -6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.828 6.728 -7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.768 8.626 -8.611 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.450 9.251 -7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.900 10.184 -6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.237 9.145 -6.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.573 11.397 -7.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.417 10.340 -8.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.122 11.347 -8.146 1.00 0.00 H new ATOM 280 N GLU A 55 8.259 5.506 -5.502 1.00 0.00 N ATOM 281 CA GLU A 55 7.668 4.246 -5.936 1.00 0.00 C ATOM 282 C GLU A 55 6.240 4.455 -6.429 1.00 0.00 C ATOM 283 O GLU A 55 5.942 4.261 -7.608 1.00 0.00 O ATOM 284 CB GLU A 55 7.681 3.230 -4.792 1.00 0.00 C ATOM 285 CG GLU A 55 9.059 2.659 -4.500 1.00 0.00 C ATOM 286 CD GLU A 55 9.454 1.563 -5.470 1.00 0.00 C ATOM 287 OE1 GLU A 55 9.376 1.798 -6.694 1.00 0.00 O ATOM 288 OE2 GLU A 55 9.841 0.470 -5.006 1.00 0.00 O ATOM 0 H GLU A 55 8.525 5.530 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 55 8.266 3.860 -6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.296 3.706 -3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.002 2.413 -5.036 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.797 3.460 -4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.077 2.264 -3.484 1.00 0.00 H new ATOM 295 N VAL A 56 5.358 4.852 -5.517 1.00 0.00 N ATOM 296 CA VAL A 56 3.960 5.089 -5.857 1.00 0.00 C ATOM 297 C VAL A 56 3.835 5.843 -7.176 1.00 0.00 C ATOM 298 O VAL A 56 3.205 5.365 -8.119 1.00 0.00 O ATOM 299 CB VAL A 56 3.240 5.886 -4.753 1.00 0.00 C ATOM 300 CG1 VAL A 56 1.824 6.235 -5.183 1.00 0.00 C ATOM 301 CG2 VAL A 56 3.233 5.102 -3.449 1.00 0.00 C ATOM 0 H VAL A 56 5.587 5.016 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 56 3.489 4.111 -5.955 1.00 0.00 H new ATOM 0 HB VAL A 56 3.783 6.817 -4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.331 6.798 -4.390 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.858 6.839 -6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.267 5.319 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.720 5.680 -2.680 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.715 4.155 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.259 4.909 -3.135 1.00 0.00 H new ATOM 311 N SER A 57 4.442 7.025 -7.236 1.00 0.00 N ATOM 312 CA SER A 57 4.396 7.847 -8.439 1.00 0.00 C ATOM 313 C SER A 57 4.716 7.016 -9.678 1.00 0.00 C ATOM 314 O SER A 57 3.940 6.983 -10.633 1.00 0.00 O ATOM 315 CB SER A 57 5.383 9.011 -8.323 1.00 0.00 C ATOM 316 OG SER A 57 5.091 10.023 -9.272 1.00 0.00 O ATOM 0 H SER A 57 4.971 7.434 -6.466 1.00 0.00 H new ATOM 0 HA SER A 57 3.386 8.244 -8.540 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.341 9.428 -7.317 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.399 8.647 -8.475 1.00 0.00 H new ATOM 0 HG SER A 57 5.734 10.756 -9.177 1.00 0.00 H new ATOM 322 N ASP A 58 5.863 6.347 -9.654 1.00 0.00 N ATOM 323 CA ASP A 58 6.286 5.515 -10.774 1.00 0.00 C ATOM 324 C ASP A 58 5.170 4.563 -11.195 1.00 0.00 C ATOM 325 O ASP A 58 4.871 4.428 -12.382 1.00 0.00 O ATOM 326 CB ASP A 58 7.538 4.719 -10.401 1.00 0.00 C ATOM 327 CG ASP A 58 8.154 4.017 -11.595 1.00 0.00 C ATOM 328 OD1 ASP A 58 7.692 2.907 -11.934 1.00 0.00 O ATOM 329 OD2 ASP A 58 9.099 4.576 -12.190 1.00 0.00 O ATOM 0 H ASP A 58 6.517 6.365 -8.871 1.00 0.00 H new ATOM 0 HA ASP A 58 6.518 6.170 -11.614 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.274 5.391 -9.959 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.283 3.981 -9.641 1.00 0.00 H new ATOM 334 N PHE A 59 4.559 3.905 -10.216 1.00 0.00 N ATOM 335 CA PHE A 59 3.478 2.964 -10.485 1.00 0.00 C ATOM 336 C PHE A 59 2.294 3.669 -11.140 1.00 0.00 C ATOM 337 O PHE A 59 1.649 3.122 -12.034 1.00 0.00 O ATOM 338 CB PHE A 59 3.029 2.285 -9.190 1.00 0.00 C ATOM 339 CG PHE A 59 1.621 1.766 -9.242 1.00 0.00 C ATOM 340 CD1 PHE A 59 0.545 2.628 -9.105 1.00 0.00 C ATOM 341 CD2 PHE A 59 1.374 0.415 -9.427 1.00 0.00 C ATOM 342 CE1 PHE A 59 -0.752 2.153 -9.153 1.00 0.00 C ATOM 343 CE2 PHE A 59 0.079 -0.066 -9.476 1.00 0.00 C ATOM 344 CZ PHE A 59 -0.985 0.804 -9.338 1.00 0.00 C ATOM 0 H PHE A 59 4.794 4.006 -9.229 1.00 0.00 H new ATOM 0 HA PHE A 59 3.853 2.206 -11.173 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.704 1.458 -8.970 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.116 2.995 -8.368 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.722 3.683 -8.959 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.202 -0.270 -9.534 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.582 2.835 -9.046 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.101 -1.121 -9.622 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.998 0.430 -9.375 1.00 0.00 H new ATOM 354 N ILE A 60 2.015 4.887 -10.687 1.00 0.00 N ATOM 355 CA ILE A 60 0.909 5.668 -11.229 1.00 0.00 C ATOM 356 C ILE A 60 1.049 5.847 -12.736 1.00 0.00 C ATOM 357 O ILE A 60 0.161 5.473 -13.501 1.00 0.00 O ATOM 358 CB ILE A 60 0.820 7.054 -10.564 1.00 0.00 C ATOM 359 CG1 ILE A 60 0.407 6.915 -9.097 1.00 0.00 C ATOM 360 CG2 ILE A 60 -0.163 7.939 -11.314 1.00 0.00 C ATOM 361 CD1 ILE A 60 0.540 8.198 -8.308 1.00 0.00 C ATOM 0 H ILE A 60 2.539 5.354 -9.947 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.004 5.113 -11.015 1.00 0.00 H new ATOM 0 HB ILE A 60 1.803 7.522 -10.602 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.627 6.575 -9.050 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.018 6.144 -8.627 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.215 8.915 -10.832 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.170 8.061 -12.345 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.150 7.476 -11.304 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.230 8.025 -7.277 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.578 8.529 -8.324 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.093 8.966 -8.753 1.00 0.00 H new ATOM 373 N GLN A 61 2.173 6.421 -13.156 1.00 0.00 N ATOM 374 CA GLN A 61 2.430 6.649 -14.573 1.00 0.00 C ATOM 375 C GLN A 61 2.355 5.343 -15.357 1.00 0.00 C ATOM 376 O GLN A 61 1.844 5.308 -16.477 1.00 0.00 O ATOM 377 CB GLN A 61 3.802 7.296 -14.767 1.00 0.00 C ATOM 378 CG GLN A 61 3.957 8.623 -14.042 1.00 0.00 C ATOM 379 CD GLN A 61 5.380 9.144 -14.076 1.00 0.00 C ATOM 380 OE1 GLN A 61 6.131 8.872 -15.013 1.00 0.00 O ATOM 381 NE2 GLN A 61 5.760 9.897 -13.050 1.00 0.00 N ATOM 0 H GLN A 61 2.919 6.736 -12.536 1.00 0.00 H new ATOM 0 HA GLN A 61 1.662 7.323 -14.951 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.572 6.608 -14.417 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.974 7.451 -15.832 1.00 0.00 H new ATOM 0 HG2 GLN A 61 3.294 9.360 -14.495 1.00 0.00 H new ATOM 0 HG3 GLN A 61 3.642 8.505 -13.005 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.105 10.098 -12.294 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.707 10.275 -13.018 1.00 0.00 H new ATOM 390 N ASP A 62 2.867 4.271 -14.762 1.00 0.00 N ATOM 391 CA ASP A 62 2.857 2.962 -15.404 1.00 0.00 C ATOM 392 C ASP A 62 1.429 2.505 -15.686 1.00 0.00 C ATOM 393 O ASP A 62 0.659 2.238 -14.763 1.00 0.00 O ATOM 394 CB ASP A 62 3.571 1.934 -14.526 1.00 0.00 C ATOM 395 CG ASP A 62 5.075 1.954 -14.717 1.00 0.00 C ATOM 396 OD1 ASP A 62 5.622 3.039 -15.003 1.00 0.00 O ATOM 397 OD2 ASP A 62 5.704 0.883 -14.581 1.00 0.00 O ATOM 0 H ASP A 62 3.294 4.283 -13.836 1.00 0.00 H new ATOM 0 HA ASP A 62 3.386 3.047 -16.353 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.338 2.130 -13.479 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.192 0.938 -14.756 1.00 0.00 H new ATOM 402 N SER A 63 1.082 2.419 -16.966 1.00 0.00 N ATOM 403 CA SER A 63 -0.255 1.999 -17.369 1.00 0.00 C ATOM 404 C SER A 63 -0.466 0.514 -17.089 1.00 0.00 C ATOM 405 O SER A 63 -1.294 0.139 -16.261 1.00 0.00 O ATOM 406 CB SER A 63 -0.476 2.286 -18.855 1.00 0.00 C ATOM 407 OG SER A 63 -0.575 3.679 -19.097 1.00 0.00 O ATOM 0 H SER A 63 1.708 2.635 -17.742 1.00 0.00 H new ATOM 0 HA SER A 63 -0.979 2.567 -16.785 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.348 1.871 -19.435 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.386 1.790 -19.193 1.00 0.00 H new ATOM 0 HG SER A 63 -0.714 3.836 -20.054 1.00 0.00 H new ATOM 413 N GLY A 64 0.292 -0.327 -17.787 1.00 0.00 N ATOM 414 CA GLY A 64 0.173 -1.761 -17.601 1.00 0.00 C ATOM 415 C GLY A 64 -0.048 -2.141 -16.150 1.00 0.00 C ATOM 416 O GLY A 64 -0.813 -3.058 -15.852 1.00 0.00 O ATOM 0 H GLY A 64 0.986 -0.040 -18.478 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.656 -2.135 -18.202 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.077 -2.248 -17.967 1.00 0.00 H new ATOM 420 N GLN A 65 0.624 -1.435 -15.246 1.00 0.00 N ATOM 421 CA GLN A 65 0.498 -1.706 -13.819 1.00 0.00 C ATOM 422 C GLN A 65 -0.839 -1.201 -13.285 1.00 0.00 C ATOM 423 O GLN A 65 -1.114 -0.001 -13.308 1.00 0.00 O ATOM 424 CB GLN A 65 1.647 -1.051 -13.051 1.00 0.00 C ATOM 425 CG GLN A 65 3.023 -1.425 -13.578 1.00 0.00 C ATOM 426 CD GLN A 65 3.583 -2.669 -12.918 1.00 0.00 C ATOM 427 OE1 GLN A 65 3.050 -3.766 -13.082 1.00 0.00 O ATOM 428 NE2 GLN A 65 4.664 -2.504 -12.165 1.00 0.00 N ATOM 0 H GLN A 65 1.260 -0.672 -15.476 1.00 0.00 H new ATOM 0 HA GLN A 65 0.542 -2.785 -13.674 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.532 0.032 -13.096 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.580 -1.335 -12.001 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.964 -1.585 -14.655 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.708 -0.593 -13.416 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.073 -1.576 -12.057 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.085 -3.305 -11.695 1.00 0.00 H new ATOM 437 N ILE A 66 -1.665 -2.125 -12.806 1.00 0.00 N ATOM 438 CA ILE A 66 -2.973 -1.773 -12.266 1.00 0.00 C ATOM 439 C ILE A 66 -2.965 -1.805 -10.742 1.00 0.00 C ATOM 440 O ILE A 66 -3.729 -1.093 -10.090 1.00 0.00 O ATOM 441 CB ILE A 66 -4.070 -2.722 -12.783 1.00 0.00 C ATOM 442 CG1 ILE A 66 -3.770 -4.162 -12.358 1.00 0.00 C ATOM 443 CG2 ILE A 66 -4.184 -2.625 -14.297 1.00 0.00 C ATOM 444 CD1 ILE A 66 -4.979 -5.070 -12.407 1.00 0.00 C ATOM 0 H ILE A 66 -1.452 -3.122 -12.781 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.192 -0.760 -12.605 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.023 -2.424 -12.346 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.993 -4.569 -13.005 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.370 -4.157 -11.344 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.963 -3.302 -14.647 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.438 -1.603 -14.578 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.233 -2.901 -14.752 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.693 -6.074 -12.093 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.749 -4.686 -11.738 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.367 -5.105 -13.425 1.00 0.00 H new ATOM 456 N LYS A 67 -2.095 -2.636 -10.178 1.00 0.00 N ATOM 457 CA LYS A 67 -1.984 -2.761 -8.729 1.00 0.00 C ATOM 458 C LYS A 67 -0.540 -3.026 -8.315 1.00 0.00 C ATOM 459 O LYS A 67 0.285 -3.438 -9.131 1.00 0.00 O ATOM 460 CB LYS A 67 -2.886 -3.889 -8.223 1.00 0.00 C ATOM 461 CG LYS A 67 -2.409 -5.275 -8.622 1.00 0.00 C ATOM 462 CD LYS A 67 -3.199 -6.362 -7.913 1.00 0.00 C ATOM 463 CE LYS A 67 -2.838 -7.744 -8.435 1.00 0.00 C ATOM 464 NZ LYS A 67 -3.085 -8.803 -7.418 1.00 0.00 N ATOM 0 H LYS A 67 -1.456 -3.233 -10.703 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.305 -1.820 -8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.947 -3.834 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.895 -3.736 -8.607 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.507 -5.398 -9.701 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.350 -5.379 -8.384 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.005 -6.314 -6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.266 -6.187 -8.051 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.421 -7.958 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -1.788 -7.759 -8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -2.827 -9.730 -7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.509 -8.614 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.092 -8.806 -7.158 1.00 0.00 H new ATOM 478 N LYS A 68 -0.241 -2.788 -7.043 1.00 0.00 N ATOM 479 CA LYS A 68 1.103 -3.003 -6.519 1.00 0.00 C ATOM 480 C LYS A 68 1.052 -3.488 -5.073 1.00 0.00 C ATOM 481 O LYS A 68 0.336 -2.926 -4.244 1.00 0.00 O ATOM 482 CB LYS A 68 1.919 -1.712 -6.606 1.00 0.00 C ATOM 483 CG LYS A 68 3.395 -1.904 -6.303 1.00 0.00 C ATOM 484 CD LYS A 68 4.255 -0.906 -7.060 1.00 0.00 C ATOM 485 CE LYS A 68 5.683 -0.891 -6.538 1.00 0.00 C ATOM 486 NZ LYS A 68 5.861 0.096 -5.436 1.00 0.00 N ATOM 0 H LYS A 68 -0.912 -2.446 -6.355 1.00 0.00 H new ATOM 0 HA LYS A 68 1.584 -3.771 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.814 -1.292 -7.606 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.505 -0.983 -5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.565 -1.793 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.693 -2.918 -6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.257 -1.157 -8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.823 0.091 -6.969 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.950 -1.886 -6.181 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.365 -0.652 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.864 0.137 -5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.551 1.035 -5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.292 -0.194 -4.615 1.00 0.00 H new ATOM 500 N LYS A 69 1.816 -4.534 -4.778 1.00 0.00 N ATOM 501 CA LYS A 69 1.861 -5.093 -3.432 1.00 0.00 C ATOM 502 C LYS A 69 3.134 -4.668 -2.708 1.00 0.00 C ATOM 503 O LYS A 69 4.198 -4.556 -3.317 1.00 0.00 O ATOM 504 CB LYS A 69 1.780 -6.621 -3.489 1.00 0.00 C ATOM 505 CG LYS A 69 1.470 -7.264 -2.149 1.00 0.00 C ATOM 506 CD LYS A 69 1.530 -8.780 -2.231 1.00 0.00 C ATOM 507 CE LYS A 69 1.803 -9.402 -0.870 1.00 0.00 C ATOM 508 NZ LYS A 69 2.546 -10.687 -0.986 1.00 0.00 N ATOM 0 H LYS A 69 2.413 -5.012 -5.453 1.00 0.00 H new ATOM 0 HA LYS A 69 1.004 -4.710 -2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.012 -6.909 -4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.727 -7.013 -3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.181 -6.911 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.479 -6.956 -1.817 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.588 -9.162 -2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.311 -9.077 -2.931 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.377 -8.704 -0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.859 -9.574 -0.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.712 -11.079 -0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.987 -11.362 -1.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.458 -10.519 -1.456 1.00 0.00 H new ATOM 522 N PHE A 70 3.018 -4.434 -1.405 1.00 0.00 N ATOM 523 CA PHE A 70 4.161 -4.022 -0.598 1.00 0.00 C ATOM 524 C PHE A 70 4.434 -5.030 0.514 1.00 0.00 C ATOM 525 O PHE A 70 3.616 -5.910 0.782 1.00 0.00 O ATOM 526 CB PHE A 70 3.913 -2.637 0.004 1.00 0.00 C ATOM 527 CG PHE A 70 4.040 -1.519 -0.992 1.00 0.00 C ATOM 528 CD1 PHE A 70 5.285 -1.022 -1.341 1.00 0.00 C ATOM 529 CD2 PHE A 70 2.913 -0.966 -1.579 1.00 0.00 C ATOM 530 CE1 PHE A 70 5.404 0.006 -2.257 1.00 0.00 C ATOM 531 CE2 PHE A 70 3.026 0.062 -2.496 1.00 0.00 C ATOM 532 CZ PHE A 70 4.274 0.549 -2.834 1.00 0.00 C ATOM 0 H PHE A 70 2.145 -4.523 -0.885 1.00 0.00 H new ATOM 0 HA PHE A 70 5.036 -3.978 -1.247 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.914 -2.613 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 70 4.620 -2.471 0.817 1.00 0.00 H new ATOM 0 HD1 PHE A 70 6.173 -1.443 -0.892 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.935 -1.343 -1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.381 0.384 -2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 70 2.140 0.484 -2.948 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.365 1.353 -3.549 1.00 0.00 H new ATOM 542 N GLN A 71 5.589 -4.895 1.157 1.00 0.00 N ATOM 543 CA GLN A 71 5.971 -5.795 2.238 1.00 0.00 C ATOM 544 C GLN A 71 6.037 -5.051 3.568 1.00 0.00 C ATOM 545 O GLN A 71 6.531 -3.927 3.654 1.00 0.00 O ATOM 546 CB GLN A 71 7.322 -6.446 1.937 1.00 0.00 C ATOM 547 CG GLN A 71 7.217 -7.697 1.080 1.00 0.00 C ATOM 548 CD GLN A 71 6.121 -8.634 1.548 1.00 0.00 C ATOM 549 OE1 GLN A 71 6.246 -9.286 2.585 1.00 0.00 O ATOM 550 NE2 GLN A 71 5.038 -8.707 0.783 1.00 0.00 N ATOM 0 H GLN A 71 6.276 -4.171 0.948 1.00 0.00 H new ATOM 0 HA GLN A 71 5.211 -6.572 2.314 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.960 -5.722 1.431 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.811 -6.700 2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.027 -7.410 0.046 1.00 0.00 H new ATOM 0 HG3 GLN A 71 8.171 -8.224 1.094 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.976 -8.149 -0.068 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.268 -9.321 1.047 1.00 0.00 H new ATOM 559 N PRO A 72 5.528 -5.692 4.631 1.00 0.00 N ATOM 560 CA PRO A 72 5.518 -5.109 5.976 1.00 0.00 C ATOM 561 C PRO A 72 6.916 -5.016 6.578 1.00 0.00 C ATOM 562 O PRO A 72 7.393 -5.957 7.211 1.00 0.00 O ATOM 563 CB PRO A 72 4.654 -6.084 6.779 1.00 0.00 C ATOM 564 CG PRO A 72 4.777 -7.382 6.058 1.00 0.00 C ATOM 565 CD PRO A 72 4.924 -7.034 4.602 1.00 0.00 C ATOM 0 HA PRO A 72 5.141 -4.086 5.974 1.00 0.00 H new ATOM 0 HB2 PRO A 72 5.004 -6.168 7.808 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.617 -5.751 6.821 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.639 -7.946 6.414 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.898 -8.005 6.224 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.560 -7.749 4.080 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.961 -7.030 4.091 1.00 0.00 H new ATOM 573 N MET A 73 7.567 -3.875 6.377 1.00 0.00 N ATOM 574 CA MET A 73 8.910 -3.659 6.903 1.00 0.00 C ATOM 575 C MET A 73 8.856 -3.025 8.289 1.00 0.00 C ATOM 576 O MET A 73 9.595 -3.418 9.190 1.00 0.00 O ATOM 577 CB MET A 73 9.716 -2.770 5.953 1.00 0.00 C ATOM 578 CG MET A 73 10.148 -3.477 4.679 1.00 0.00 C ATOM 579 SD MET A 73 10.276 -2.356 3.272 1.00 0.00 S ATOM 580 CE MET A 73 8.585 -1.779 3.145 1.00 0.00 C ATOM 0 H MET A 73 7.187 -3.086 5.854 1.00 0.00 H new ATOM 0 HA MET A 73 9.401 -4.629 6.986 1.00 0.00 H new ATOM 0 HB2 MET A 73 9.118 -1.898 5.690 1.00 0.00 H new ATOM 0 HB3 MET A 73 10.601 -2.404 6.474 1.00 0.00 H new ATOM 0 HG2 MET A 73 11.112 -3.958 4.844 1.00 0.00 H new ATOM 0 HG3 MET A 73 9.433 -4.266 4.446 1.00 0.00 H new ATOM 0 HE1 MET A 73 8.116 -2.218 2.265 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.032 -2.074 4.037 1.00 0.00 H new ATOM 0 HE3 MET A 73 8.577 -0.693 3.056 1.00 0.00 H new ATOM 590 N ASN A 74 7.977 -2.042 8.452 1.00 0.00 N ATOM 591 CA ASN A 74 7.828 -1.353 9.728 1.00 0.00 C ATOM 592 C ASN A 74 6.366 -1.322 10.162 1.00 0.00 C ATOM 593 O ASN A 74 5.480 -1.762 9.430 1.00 0.00 O ATOM 594 CB ASN A 74 8.372 0.074 9.628 1.00 0.00 C ATOM 595 CG ASN A 74 9.850 0.154 9.962 1.00 0.00 C ATOM 596 OD1 ASN A 74 10.236 0.714 10.988 1.00 0.00 O ATOM 597 ND2 ASN A 74 10.684 -0.407 9.094 1.00 0.00 N ATOM 0 H ASN A 74 7.357 -1.705 7.716 1.00 0.00 H new ATOM 0 HA ASN A 74 8.400 -1.901 10.477 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.209 0.452 8.619 1.00 0.00 H new ATOM 0 HB3 ASN A 74 7.814 0.721 10.305 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.689 -0.384 9.265 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.319 -0.861 8.256 1.00 0.00 H new ATOM 604 N LYS A 75 6.121 -0.797 11.358 1.00 0.00 N ATOM 605 CA LYS A 75 4.767 -0.706 11.891 1.00 0.00 C ATOM 606 C LYS A 75 4.114 0.615 11.497 1.00 0.00 C ATOM 607 O LYS A 75 2.892 0.704 11.380 1.00 0.00 O ATOM 608 CB LYS A 75 4.786 -0.842 13.415 1.00 0.00 C ATOM 609 CG LYS A 75 3.418 -0.690 14.057 1.00 0.00 C ATOM 610 CD LYS A 75 2.707 -2.028 14.178 1.00 0.00 C ATOM 611 CE LYS A 75 2.994 -2.692 15.516 1.00 0.00 C ATOM 612 NZ LYS A 75 4.311 -3.387 15.519 1.00 0.00 N ATOM 0 H LYS A 75 6.843 -0.428 11.977 1.00 0.00 H new ATOM 0 HA LYS A 75 4.182 -1.522 11.466 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.196 -1.817 13.679 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.458 -0.091 13.830 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.527 -0.244 15.046 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.811 -0.006 13.464 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.633 -1.882 14.066 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.025 -2.685 13.369 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.978 -1.940 16.305 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.205 -3.409 15.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.337 -4.079 16.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.446 -3.878 14.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.071 -2.690 15.652 1.00 0.00 H new ATOM 626 N ILE A 76 4.937 1.638 11.291 1.00 0.00 N ATOM 627 CA ILE A 76 4.440 2.953 10.907 1.00 0.00 C ATOM 628 C ILE A 76 4.353 3.086 9.390 1.00 0.00 C ATOM 629 O ILE A 76 3.506 3.810 8.869 1.00 0.00 O ATOM 630 CB ILE A 76 5.336 4.077 11.459 1.00 0.00 C ATOM 631 CG1 ILE A 76 5.445 3.970 12.982 1.00 0.00 C ATOM 632 CG2 ILE A 76 4.787 5.438 11.056 1.00 0.00 C ATOM 633 CD1 ILE A 76 4.181 4.372 13.708 1.00 0.00 C ATOM 0 H ILE A 76 5.951 1.581 11.384 1.00 0.00 H new ATOM 0 HA ILE A 76 3.443 3.051 11.336 1.00 0.00 H new ATOM 0 HB ILE A 76 6.334 3.969 11.033 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.697 2.944 13.249 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.267 4.599 13.324 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.431 6.222 11.454 1.00 0.00 H new ATOM 0 HG22 ILE A 76 4.756 5.510 9.969 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.780 5.557 11.457 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.331 4.271 14.783 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.939 5.408 13.471 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.360 3.727 13.394 1.00 0.00 H new ATOM 645 N GLU A 77 5.234 2.381 8.688 1.00 0.00 N ATOM 646 CA GLU A 77 5.256 2.420 7.231 1.00 0.00 C ATOM 647 C GLU A 77 3.839 2.476 6.667 1.00 0.00 C ATOM 648 O GLU A 77 3.599 3.084 5.623 1.00 0.00 O ATOM 649 CB GLU A 77 5.989 1.197 6.676 1.00 0.00 C ATOM 650 CG GLU A 77 5.136 -0.060 6.642 1.00 0.00 C ATOM 651 CD GLU A 77 4.122 -0.046 5.514 1.00 0.00 C ATOM 652 OE1 GLU A 77 4.483 0.383 4.398 1.00 0.00 O ATOM 653 OE2 GLU A 77 2.969 -0.465 5.747 1.00 0.00 O ATOM 0 H GLU A 77 5.942 1.776 9.105 1.00 0.00 H new ATOM 0 HA GLU A 77 5.787 3.322 6.926 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.335 1.419 5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.875 1.009 7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.783 -0.931 6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.615 -0.167 7.593 1.00 0.00 H new ATOM 660 N ARG A 78 2.905 1.838 7.365 1.00 0.00 N ATOM 661 CA ARG A 78 1.513 1.814 6.934 1.00 0.00 C ATOM 662 C ARG A 78 0.957 3.230 6.809 1.00 0.00 C ATOM 663 O ARG A 78 0.662 3.697 5.710 1.00 0.00 O ATOM 664 CB ARG A 78 0.665 1.007 7.919 1.00 0.00 C ATOM 665 CG ARG A 78 -0.541 0.339 7.280 1.00 0.00 C ATOM 666 CD ARG A 78 -0.126 -0.634 6.188 1.00 0.00 C ATOM 667 NE ARG A 78 -1.058 -1.752 6.068 1.00 0.00 N ATOM 668 CZ ARG A 78 -1.299 -2.616 7.047 1.00 0.00 C ATOM 669 NH1 ARG A 78 -0.680 -2.491 8.213 1.00 0.00 N ATOM 670 NH2 ARG A 78 -2.161 -3.608 6.862 1.00 0.00 N ATOM 0 H ARG A 78 3.087 1.331 8.231 1.00 0.00 H new ATOM 0 HA ARG A 78 1.471 1.338 5.954 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.290 0.243 8.382 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.324 1.667 8.717 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -1.112 -0.191 8.043 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.199 1.099 6.860 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.068 -0.107 5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.872 -1.016 6.403 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.551 -1.876 5.184 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.017 -1.730 8.359 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.867 -3.156 8.963 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.639 -3.708 5.967 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.345 -4.271 7.615 1.00 0.00 H new ATOM 684 N SER A 79 0.816 3.907 7.945 1.00 0.00 N ATOM 685 CA SER A 79 0.292 5.267 7.964 1.00 0.00 C ATOM 686 C SER A 79 1.005 6.138 6.934 1.00 0.00 C ATOM 687 O SER A 79 0.368 6.867 6.174 1.00 0.00 O ATOM 688 CB SER A 79 0.446 5.876 9.359 1.00 0.00 C ATOM 689 OG SER A 79 -0.500 6.909 9.572 1.00 0.00 O ATOM 0 H SER A 79 1.058 3.535 8.864 1.00 0.00 H new ATOM 0 HA SER A 79 -0.767 5.226 7.709 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.318 5.100 10.114 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.455 6.272 9.477 1.00 0.00 H new ATOM 0 HG SER A 79 -0.382 7.281 10.471 1.00 0.00 H new ATOM 695 N ILE A 80 2.332 6.057 6.917 1.00 0.00 N ATOM 696 CA ILE A 80 3.132 6.837 5.981 1.00 0.00 C ATOM 697 C ILE A 80 2.745 6.531 4.539 1.00 0.00 C ATOM 698 O ILE A 80 2.186 7.378 3.841 1.00 0.00 O ATOM 699 CB ILE A 80 4.637 6.566 6.166 1.00 0.00 C ATOM 700 CG1 ILE A 80 5.054 6.844 7.611 1.00 0.00 C ATOM 701 CG2 ILE A 80 5.450 7.417 5.202 1.00 0.00 C ATOM 702 CD1 ILE A 80 6.431 6.320 7.954 1.00 0.00 C ATOM 0 H ILE A 80 2.875 5.459 7.540 1.00 0.00 H new ATOM 0 HA ILE A 80 2.931 7.887 6.193 1.00 0.00 H new ATOM 0 HB ILE A 80 4.832 5.516 5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.029 7.919 7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.325 6.394 8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.512 7.215 5.344 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.169 7.175 4.177 1.00 0.00 H new ATOM 0 HG23 ILE A 80 5.253 8.472 5.393 1.00 0.00 H new ATOM 0 HD11 ILE A 80 6.660 6.553 8.994 1.00 0.00 H new ATOM 0 HD12 ILE A 80 6.456 5.240 7.810 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.171 6.789 7.306 1.00 0.00 H new ATOM 714 N LEU A 81 3.043 5.314 4.098 1.00 0.00 N ATOM 715 CA LEU A 81 2.725 4.893 2.738 1.00 0.00 C ATOM 716 C LEU A 81 1.288 5.256 2.378 1.00 0.00 C ATOM 717 O LEU A 81 1.021 5.784 1.298 1.00 0.00 O ATOM 718 CB LEU A 81 2.936 3.386 2.586 1.00 0.00 C ATOM 719 CG LEU A 81 2.454 2.769 1.272 1.00 0.00 C ATOM 720 CD1 LEU A 81 3.129 3.443 0.088 1.00 0.00 C ATOM 721 CD2 LEU A 81 2.718 1.271 1.258 1.00 0.00 C ATOM 0 H LEU A 81 3.505 4.601 4.663 1.00 0.00 H new ATOM 0 HA LEU A 81 3.395 5.417 2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.000 3.176 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.427 2.883 3.408 1.00 0.00 H new ATOM 0 HG LEU A 81 1.379 2.928 1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.774 2.991 -0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.889 4.506 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.209 3.315 0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.369 0.849 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.788 1.089 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.187 0.800 2.085 1.00 0.00 H new ATOM 733 N HIS A 82 0.365 4.971 3.291 1.00 0.00 N ATOM 734 CA HIS A 82 -1.046 5.270 3.071 1.00 0.00 C ATOM 735 C HIS A 82 -1.244 6.747 2.747 1.00 0.00 C ATOM 736 O HIS A 82 -2.005 7.097 1.845 1.00 0.00 O ATOM 737 CB HIS A 82 -1.867 4.892 4.305 1.00 0.00 C ATOM 738 CG HIS A 82 -2.385 3.487 4.272 1.00 0.00 C ATOM 739 ND1 HIS A 82 -3.625 3.154 3.769 1.00 0.00 N ATOM 740 CD2 HIS A 82 -1.823 2.326 4.683 1.00 0.00 C ATOM 741 CE1 HIS A 82 -3.804 1.849 3.873 1.00 0.00 C ATOM 742 NE2 HIS A 82 -2.724 1.323 4.424 1.00 0.00 N ATOM 0 H HIS A 82 0.568 4.534 4.190 1.00 0.00 H new ATOM 0 HA HIS A 82 -1.389 4.681 2.221 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.251 5.023 5.195 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -2.709 5.579 4.396 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.847 2.210 5.131 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.683 1.305 3.561 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.583 0.333 4.624 1.00 0.00 H new ATOM 750 N ASP A 83 -0.556 7.608 3.487 1.00 0.00 N ATOM 751 CA ASP A 83 -0.656 9.048 3.278 1.00 0.00 C ATOM 752 C ASP A 83 -0.166 9.430 1.885 1.00 0.00 C ATOM 753 O ASP A 83 -0.831 10.173 1.163 1.00 0.00 O ATOM 754 CB ASP A 83 0.152 9.796 4.339 1.00 0.00 C ATOM 755 CG ASP A 83 -0.401 11.180 4.618 1.00 0.00 C ATOM 756 OD1 ASP A 83 -1.638 11.316 4.717 1.00 0.00 O ATOM 757 OD2 ASP A 83 0.404 12.127 4.738 1.00 0.00 O ATOM 0 H ASP A 83 0.078 7.334 4.238 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.705 9.331 3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.158 9.217 5.263 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.188 9.881 4.010 1.00 0.00 H new ATOM 762 N VAL A 84 1.002 8.916 1.512 1.00 0.00 N ATOM 763 CA VAL A 84 1.581 9.203 0.205 1.00 0.00 C ATOM 764 C VAL A 84 0.655 8.750 -0.918 1.00 0.00 C ATOM 765 O VAL A 84 0.588 9.379 -1.974 1.00 0.00 O ATOM 766 CB VAL A 84 2.950 8.518 0.035 1.00 0.00 C ATOM 767 CG1 VAL A 84 3.514 8.787 -1.351 1.00 0.00 C ATOM 768 CG2 VAL A 84 3.917 8.985 1.113 1.00 0.00 C ATOM 0 H VAL A 84 1.566 8.299 2.097 1.00 0.00 H new ATOM 0 HA VAL A 84 1.714 10.283 0.148 1.00 0.00 H new ATOM 0 HB VAL A 84 2.814 7.442 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.481 8.295 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.829 8.398 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.637 9.861 -1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.879 8.491 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.050 10.064 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.516 8.735 2.095 1.00 0.00 H new ATOM 778 N VAL A 85 -0.058 7.653 -0.683 1.00 0.00 N ATOM 779 CA VAL A 85 -0.982 7.115 -1.674 1.00 0.00 C ATOM 780 C VAL A 85 -2.213 8.003 -1.817 1.00 0.00 C ATOM 781 O VAL A 85 -2.480 8.541 -2.891 1.00 0.00 O ATOM 782 CB VAL A 85 -1.432 5.688 -1.306 1.00 0.00 C ATOM 783 CG1 VAL A 85 -2.459 5.178 -2.305 1.00 0.00 C ATOM 784 CG2 VAL A 85 -0.234 4.754 -1.236 1.00 0.00 C ATOM 0 H VAL A 85 -0.013 7.120 0.185 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.446 7.086 -2.623 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.900 5.715 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.765 4.169 -2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.329 5.835 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.020 5.164 -3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.570 3.750 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.265 4.729 -2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.463 5.112 -0.478 1.00 0.00 H new ATOM 794 N GLU A 86 -2.958 8.152 -0.726 1.00 0.00 N ATOM 795 CA GLU A 86 -4.161 8.976 -0.731 1.00 0.00 C ATOM 796 C GLU A 86 -3.900 10.317 -1.411 1.00 0.00 C ATOM 797 O GLU A 86 -4.771 10.863 -2.088 1.00 0.00 O ATOM 798 CB GLU A 86 -4.656 9.204 0.699 1.00 0.00 C ATOM 799 CG GLU A 86 -4.066 10.440 1.357 1.00 0.00 C ATOM 800 CD GLU A 86 -4.866 11.694 1.066 1.00 0.00 C ATOM 801 OE1 GLU A 86 -6.033 11.569 0.638 1.00 0.00 O ATOM 802 OE2 GLU A 86 -4.326 12.802 1.266 1.00 0.00 O ATOM 0 H GLU A 86 -2.750 7.714 0.171 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.930 8.447 -1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.742 9.292 0.689 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.412 8.330 1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.019 10.286 2.435 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -3.042 10.578 1.010 1.00 0.00 H new ATOM 809 N VAL A 87 -2.693 10.843 -1.225 1.00 0.00 N ATOM 810 CA VAL A 87 -2.316 12.119 -1.820 1.00 0.00 C ATOM 811 C VAL A 87 -2.074 11.977 -3.318 1.00 0.00 C ATOM 812 O VAL A 87 -2.472 12.836 -4.105 1.00 0.00 O ATOM 813 CB VAL A 87 -1.049 12.694 -1.158 1.00 0.00 C ATOM 814 CG1 VAL A 87 -0.590 13.950 -1.884 1.00 0.00 C ATOM 815 CG2 VAL A 87 -1.300 12.980 0.314 1.00 0.00 C ATOM 0 H VAL A 87 -1.960 10.405 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 87 -3.147 12.804 -1.653 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.254 11.952 -1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 87 0.306 14.342 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.367 13.709 -2.923 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.380 14.701 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.395 13.385 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.109 13.704 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.576 12.056 0.822 1.00 0.00 H new ATOM 825 N ALA A 88 -1.420 10.888 -3.706 1.00 0.00 N ATOM 826 CA ALA A 88 -1.127 10.632 -5.110 1.00 0.00 C ATOM 827 C ALA A 88 -2.410 10.461 -5.916 1.00 0.00 C ATOM 828 O ALA A 88 -2.474 10.833 -7.087 1.00 0.00 O ATOM 829 CB ALA A 88 -0.246 9.399 -5.250 1.00 0.00 C ATOM 0 H ALA A 88 -1.083 10.168 -3.067 1.00 0.00 H new ATOM 0 HA ALA A 88 -0.591 11.495 -5.506 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -0.035 9.220 -6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.690 9.558 -4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.761 8.534 -4.831 1.00 0.00 H new ATOM 835 N GLY A 89 -3.432 9.895 -5.281 1.00 0.00 N ATOM 836 CA GLY A 89 -4.700 9.684 -5.955 1.00 0.00 C ATOM 837 C GLY A 89 -4.917 8.235 -6.341 1.00 0.00 C ATOM 838 O GLY A 89 -5.468 7.943 -7.404 1.00 0.00 O ATOM 0 H GLY A 89 -3.404 9.579 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.512 10.009 -5.305 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.740 10.305 -6.850 1.00 0.00 H new ATOM 842 N LEU A 90 -4.482 7.323 -5.479 1.00 0.00 N ATOM 843 CA LEU A 90 -4.631 5.894 -5.736 1.00 0.00 C ATOM 844 C LEU A 90 -5.351 5.205 -4.581 1.00 0.00 C ATOM 845 O LEU A 90 -5.489 5.770 -3.495 1.00 0.00 O ATOM 846 CB LEU A 90 -3.261 5.250 -5.955 1.00 0.00 C ATOM 847 CG LEU A 90 -2.471 5.749 -7.165 1.00 0.00 C ATOM 848 CD1 LEU A 90 -1.048 5.214 -7.131 1.00 0.00 C ATOM 849 CD2 LEU A 90 -3.164 5.343 -8.458 1.00 0.00 C ATOM 0 H LEU A 90 -4.023 7.547 -4.596 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.231 5.773 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.659 5.412 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.400 4.174 -6.055 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.429 6.837 -7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.501 5.580 -8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.553 5.554 -6.221 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.068 4.124 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.588 5.706 -9.309 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.237 4.256 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.164 5.775 -8.486 1.00 0.00 H new ATOM 861 N THR A 91 -5.806 3.980 -4.821 1.00 0.00 N ATOM 862 CA THR A 91 -6.511 3.213 -3.801 1.00 0.00 C ATOM 863 C THR A 91 -5.532 2.513 -2.865 1.00 0.00 C ATOM 864 O THR A 91 -4.538 1.937 -3.309 1.00 0.00 O ATOM 865 CB THR A 91 -7.441 2.160 -4.433 1.00 0.00 C ATOM 866 OG1 THR A 91 -8.294 2.779 -5.402 1.00 0.00 O ATOM 867 CG2 THR A 91 -8.286 1.477 -3.368 1.00 0.00 C ATOM 0 H THR A 91 -5.699 3.497 -5.713 1.00 0.00 H new ATOM 0 HA THR A 91 -7.111 3.922 -3.231 1.00 0.00 H new ATOM 0 HB THR A 91 -6.823 1.407 -4.922 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.223 2.517 -5.234 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.935 0.738 -3.837 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.634 0.983 -2.648 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.895 2.221 -2.855 1.00 0.00 H new ATOM 875 N SER A 92 -5.818 2.567 -1.569 1.00 0.00 N ATOM 876 CA SER A 92 -4.961 1.940 -0.569 1.00 0.00 C ATOM 877 C SER A 92 -5.777 1.060 0.372 1.00 0.00 C ATOM 878 O SER A 92 -6.866 1.436 0.804 1.00 0.00 O ATOM 879 CB SER A 92 -4.212 3.007 0.232 1.00 0.00 C ATOM 880 OG SER A 92 -5.103 3.994 0.723 1.00 0.00 O ATOM 0 H SER A 92 -6.637 3.039 -1.186 1.00 0.00 H new ATOM 0 HA SER A 92 -4.238 1.312 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.687 2.539 1.065 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.456 3.476 -0.398 1.00 0.00 H new ATOM 0 HG SER A 92 -4.601 4.664 1.233 1.00 0.00 H new ATOM 886 N PHE A 93 -5.242 -0.116 0.685 1.00 0.00 N ATOM 887 CA PHE A 93 -5.920 -1.052 1.574 1.00 0.00 C ATOM 888 C PHE A 93 -4.914 -1.811 2.435 1.00 0.00 C ATOM 889 O PHE A 93 -3.745 -1.942 2.072 1.00 0.00 O ATOM 890 CB PHE A 93 -6.762 -2.039 0.764 1.00 0.00 C ATOM 891 CG PHE A 93 -8.130 -1.522 0.423 1.00 0.00 C ATOM 892 CD1 PHE A 93 -9.174 -1.637 1.327 1.00 0.00 C ATOM 893 CD2 PHE A 93 -8.372 -0.918 -0.801 1.00 0.00 C ATOM 894 CE1 PHE A 93 -10.434 -1.163 1.015 1.00 0.00 C ATOM 895 CE2 PHE A 93 -9.630 -0.441 -1.118 1.00 0.00 C ATOM 896 CZ PHE A 93 -10.662 -0.563 -0.208 1.00 0.00 C ATOM 0 H PHE A 93 -4.341 -0.443 0.336 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.575 -0.480 2.231 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.234 -2.283 -0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.863 -2.966 1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -9.001 -2.102 2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -7.568 -0.819 -1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -11.240 -1.262 1.727 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -9.806 0.026 -2.076 1.00 0.00 H new ATOM 0 HZ PHE A 93 -11.646 -0.190 -0.452 1.00 0.00 H new ATOM 906 N SER A 94 -5.377 -2.308 3.577 1.00 0.00 N ATOM 907 CA SER A 94 -4.518 -3.050 4.492 1.00 0.00 C ATOM 908 C SER A 94 -4.935 -4.516 4.561 1.00 0.00 C ATOM 909 O SER A 94 -5.965 -4.853 5.146 1.00 0.00 O ATOM 910 CB SER A 94 -4.566 -2.428 5.889 1.00 0.00 C ATOM 911 OG SER A 94 -5.820 -1.812 6.129 1.00 0.00 O ATOM 0 H SER A 94 -6.343 -2.210 3.891 1.00 0.00 H new ATOM 0 HA SER A 94 -3.497 -2.998 4.114 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.385 -3.197 6.640 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.770 -1.691 5.990 1.00 0.00 H new ATOM 0 HG SER A 94 -5.827 -1.423 7.029 1.00 0.00 H new ATOM 917 N PHE A 95 -4.128 -5.383 3.960 1.00 0.00 N ATOM 918 CA PHE A 95 -4.413 -6.814 3.951 1.00 0.00 C ATOM 919 C PHE A 95 -3.241 -7.605 4.525 1.00 0.00 C ATOM 920 O PHE A 95 -2.111 -7.493 4.051 1.00 0.00 O ATOM 921 CB PHE A 95 -4.714 -7.287 2.528 1.00 0.00 C ATOM 922 CG PHE A 95 -5.800 -6.499 1.852 1.00 0.00 C ATOM 923 CD1 PHE A 95 -7.112 -6.587 2.288 1.00 0.00 C ATOM 924 CD2 PHE A 95 -5.508 -5.670 0.781 1.00 0.00 C ATOM 925 CE1 PHE A 95 -8.113 -5.864 1.667 1.00 0.00 C ATOM 926 CE2 PHE A 95 -6.505 -4.944 0.156 1.00 0.00 C ATOM 927 CZ PHE A 95 -7.809 -5.040 0.601 1.00 0.00 C ATOM 0 H PHE A 95 -3.271 -5.121 3.473 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.288 -6.989 4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.804 -7.222 1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.002 -8.338 2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.355 -7.228 3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.490 -5.590 0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -9.132 -5.943 2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.264 -4.303 -0.679 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.589 -4.472 0.116 1.00 0.00 H new ATOM 937 N GLY A 96 -3.520 -8.405 5.549 1.00 0.00 N ATOM 938 CA GLY A 96 -2.479 -9.203 6.172 1.00 0.00 C ATOM 939 C GLY A 96 -2.943 -10.609 6.496 1.00 0.00 C ATOM 940 O GLY A 96 -4.140 -10.857 6.639 1.00 0.00 O ATOM 0 H GLY A 96 -4.448 -8.515 5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.616 -9.252 5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.148 -8.713 7.088 1.00 0.00 H new ATOM 944 N GLU A 97 -1.993 -11.532 6.610 1.00 0.00 N ATOM 945 CA GLU A 97 -2.312 -12.922 6.917 1.00 0.00 C ATOM 946 C GLU A 97 -2.331 -13.156 8.425 1.00 0.00 C ATOM 947 O GLU A 97 -3.057 -14.017 8.921 1.00 0.00 O ATOM 948 CB GLU A 97 -1.299 -13.859 6.257 1.00 0.00 C ATOM 949 CG GLU A 97 0.140 -13.579 6.658 1.00 0.00 C ATOM 950 CD GLU A 97 1.094 -14.666 6.203 1.00 0.00 C ATOM 951 OE1 GLU A 97 0.737 -15.857 6.324 1.00 0.00 O ATOM 952 OE2 GLU A 97 2.198 -14.327 5.727 1.00 0.00 O ATOM 0 H GLU A 97 -0.997 -11.343 6.495 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.305 -13.136 6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.546 -14.888 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.389 -13.773 5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.453 -12.625 6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.199 -13.480 7.742 1.00 0.00 H new ATOM 959 N ASP A 98 -1.527 -12.383 9.147 1.00 0.00 N ATOM 960 CA ASP A 98 -1.451 -12.505 10.598 1.00 0.00 C ATOM 961 C ASP A 98 -1.712 -11.161 11.271 1.00 0.00 C ATOM 962 O ASP A 98 -1.155 -10.138 10.873 1.00 0.00 O ATOM 963 CB ASP A 98 -0.080 -13.040 11.015 1.00 0.00 C ATOM 964 CG ASP A 98 0.282 -14.325 10.298 1.00 0.00 C ATOM 965 OD1 ASP A 98 -0.643 -15.065 9.902 1.00 0.00 O ATOM 966 OD2 ASP A 98 1.491 -14.591 10.131 1.00 0.00 O ATOM 0 H ASP A 98 -0.919 -11.666 8.751 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.220 -13.207 10.919 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.679 -12.286 10.808 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.073 -13.213 12.091 1.00 0.00 H new ATOM 971 N ASP A 99 -2.563 -11.171 12.291 1.00 0.00 N ATOM 972 CA ASP A 99 -2.899 -9.953 13.019 1.00 0.00 C ATOM 973 C ASP A 99 -1.643 -9.148 13.339 1.00 0.00 C ATOM 974 O ASP A 99 -1.637 -7.921 13.236 1.00 0.00 O ATOM 975 CB ASP A 99 -3.644 -10.294 14.310 1.00 0.00 C ATOM 976 CG ASP A 99 -3.085 -11.526 14.993 1.00 0.00 C ATOM 977 OD1 ASP A 99 -3.418 -12.649 14.558 1.00 0.00 O ATOM 978 OD2 ASP A 99 -2.313 -11.369 15.962 1.00 0.00 O ATOM 0 H ASP A 99 -3.033 -12.009 12.633 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.546 -9.347 12.385 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -3.588 -9.446 14.993 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.699 -10.453 14.086 1.00 0.00 H new ATOM 983 N ASP A 100 -0.582 -9.846 13.728 1.00 0.00 N ATOM 984 CA ASP A 100 0.680 -9.197 14.063 1.00 0.00 C ATOM 985 C ASP A 100 1.436 -8.794 12.801 1.00 0.00 C ATOM 986 O ASP A 100 1.999 -7.701 12.725 1.00 0.00 O ATOM 987 CB ASP A 100 1.545 -10.125 14.917 1.00 0.00 C ATOM 988 CG ASP A 100 2.599 -9.373 15.704 1.00 0.00 C ATOM 989 OD1 ASP A 100 2.337 -8.215 16.091 1.00 0.00 O ATOM 990 OD2 ASP A 100 3.687 -9.942 15.934 1.00 0.00 O ATOM 0 H ASP A 100 -0.571 -10.862 13.819 1.00 0.00 H new ATOM 0 HA ASP A 100 0.456 -8.296 14.634 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.907 -10.679 15.606 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.031 -10.858 14.273 1.00 0.00 H new ATOM 995 N CYS A 101 1.445 -9.683 11.815 1.00 0.00 N ATOM 996 CA CYS A 101 2.134 -9.421 10.556 1.00 0.00 C ATOM 997 C CYS A 101 1.136 -9.221 9.421 1.00 0.00 C ATOM 998 O CYS A 101 0.447 -10.157 9.014 1.00 0.00 O ATOM 999 CB CYS A 101 3.083 -10.573 10.220 1.00 0.00 C ATOM 1000 SG CYS A 101 4.595 -10.597 11.211 1.00 0.00 S ATOM 0 H CYS A 101 0.983 -10.591 11.862 1.00 0.00 H new ATOM 0 HA CYS A 101 2.713 -8.505 10.672 1.00 0.00 H new ATOM 0 HB2 CYS A 101 2.555 -11.517 10.359 1.00 0.00 H new ATOM 0 HB3 CYS A 101 3.353 -10.511 9.166 1.00 0.00 H new ATOM 0 HG CYS A 101 5.331 -11.608 10.855 1.00 0.00 H new ATOM 1006 N ARG A 102 1.061 -7.995 8.914 1.00 0.00 N ATOM 1007 CA ARG A 102 0.144 -7.671 7.828 1.00 0.00 C ATOM 1008 C ARG A 102 0.814 -6.759 6.804 1.00 0.00 C ATOM 1009 O ARG A 102 1.468 -5.780 7.164 1.00 0.00 O ATOM 1010 CB ARG A 102 -1.115 -7.000 8.378 1.00 0.00 C ATOM 1011 CG ARG A 102 -0.826 -5.860 9.341 1.00 0.00 C ATOM 1012 CD ARG A 102 -2.055 -5.498 10.160 1.00 0.00 C ATOM 1013 NE ARG A 102 -3.226 -5.266 9.318 1.00 0.00 N ATOM 1014 CZ ARG A 102 -4.310 -4.618 9.729 1.00 0.00 C ATOM 1015 NH1 ARG A 102 -4.372 -4.139 10.964 1.00 0.00 N ATOM 1016 NH2 ARG A 102 -5.335 -4.447 8.903 1.00 0.00 N ATOM 0 H ARG A 102 1.625 -7.209 9.238 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.135 -8.601 7.333 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -1.707 -6.620 7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.723 -7.748 8.886 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.013 -6.144 10.009 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.489 -4.987 8.782 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.269 -6.301 10.866 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -1.848 -4.604 10.748 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.210 -5.621 8.362 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.586 -4.268 11.601 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.206 -3.642 11.277 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.290 -4.813 7.952 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.167 -3.949 9.219 1.00 0.00 H new ATOM 1030 N TYR A 103 0.648 -7.088 5.528 1.00 0.00 N ATOM 1031 CA TYR A 103 1.239 -6.301 4.452 1.00 0.00 C ATOM 1032 C TYR A 103 0.254 -5.255 3.939 1.00 0.00 C ATOM 1033 O TYR A 103 -0.941 -5.315 4.228 1.00 0.00 O ATOM 1034 CB TYR A 103 1.675 -7.213 3.305 1.00 0.00 C ATOM 1035 CG TYR A 103 0.521 -7.851 2.565 1.00 0.00 C ATOM 1036 CD1 TYR A 103 -0.361 -7.080 1.816 1.00 0.00 C ATOM 1037 CD2 TYR A 103 0.311 -9.223 2.615 1.00 0.00 C ATOM 1038 CE1 TYR A 103 -1.417 -7.659 1.140 1.00 0.00 C ATOM 1039 CE2 TYR A 103 -0.742 -9.810 1.940 1.00 0.00 C ATOM 1040 CZ TYR A 103 -1.604 -9.024 1.205 1.00 0.00 C ATOM 1041 OH TYR A 103 -2.654 -9.604 0.531 1.00 0.00 O ATOM 0 H TYR A 103 0.109 -7.895 5.213 1.00 0.00 H new ATOM 0 HA TYR A 103 2.114 -5.786 4.850 1.00 0.00 H new ATOM 0 HB2 TYR A 103 2.273 -6.635 2.600 1.00 0.00 H new ATOM 0 HB3 TYR A 103 2.320 -7.998 3.701 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -0.218 -6.011 1.762 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.983 -9.842 3.192 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.093 -7.046 0.563 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -0.889 -10.879 1.988 1.00 0.00 H new ATOM 0 HH TYR A 103 -2.643 -10.573 0.680 1.00 0.00 H new ATOM 1051 N VAL A 104 0.766 -4.295 3.175 1.00 0.00 N ATOM 1052 CA VAL A 104 -0.066 -3.235 2.618 1.00 0.00 C ATOM 1053 C VAL A 104 -0.108 -3.311 1.096 1.00 0.00 C ATOM 1054 O VAL A 104 0.917 -3.514 0.446 1.00 0.00 O ATOM 1055 CB VAL A 104 0.442 -1.843 3.038 1.00 0.00 C ATOM 1056 CG1 VAL A 104 1.839 -1.597 2.488 1.00 0.00 C ATOM 1057 CG2 VAL A 104 -0.521 -0.762 2.573 1.00 0.00 C ATOM 0 H VAL A 104 1.753 -4.230 2.928 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.071 -3.381 3.014 1.00 0.00 H new ATOM 0 HB VAL A 104 0.494 -1.807 4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 104 2.182 -0.609 2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.521 -2.354 2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.816 -1.652 1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.146 0.215 2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.607 -0.794 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.501 -0.931 3.020 1.00 0.00 H new ATOM 1067 N MET A 105 -1.301 -3.146 0.534 1.00 0.00 N ATOM 1068 CA MET A 105 -1.477 -3.194 -0.913 1.00 0.00 C ATOM 1069 C MET A 105 -2.126 -1.912 -1.425 1.00 0.00 C ATOM 1070 O MET A 105 -2.700 -1.145 -0.652 1.00 0.00 O ATOM 1071 CB MET A 105 -2.328 -4.403 -1.305 1.00 0.00 C ATOM 1072 CG MET A 105 -1.513 -5.653 -1.594 1.00 0.00 C ATOM 1073 SD MET A 105 -2.530 -7.032 -2.154 1.00 0.00 S ATOM 1074 CE MET A 105 -2.358 -6.879 -3.931 1.00 0.00 C ATOM 0 H MET A 105 -2.160 -2.978 1.058 1.00 0.00 H new ATOM 0 HA MET A 105 -0.492 -3.289 -1.371 1.00 0.00 H new ATOM 0 HB2 MET A 105 -3.033 -4.617 -0.501 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.917 -4.152 -2.187 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.765 -5.427 -2.354 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.974 -5.947 -0.693 1.00 0.00 H new ATOM 0 HE1 MET A 105 -3.002 -7.608 -4.423 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.646 -5.874 -4.239 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.321 -7.062 -4.213 1.00 0.00 H new ATOM 1084 N ILE A 106 -2.031 -1.687 -2.731 1.00 0.00 N ATOM 1085 CA ILE A 106 -2.611 -0.499 -3.345 1.00 0.00 C ATOM 1086 C ILE A 106 -3.210 -0.821 -4.709 1.00 0.00 C ATOM 1087 O ILE A 106 -2.699 -1.671 -5.439 1.00 0.00 O ATOM 1088 CB ILE A 106 -1.563 0.618 -3.508 1.00 0.00 C ATOM 1089 CG1 ILE A 106 -0.413 0.143 -4.398 1.00 0.00 C ATOM 1090 CG2 ILE A 106 -1.041 1.057 -2.148 1.00 0.00 C ATOM 1091 CD1 ILE A 106 0.317 1.269 -5.095 1.00 0.00 C ATOM 0 H ILE A 106 -1.558 -2.312 -3.384 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.400 -0.152 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.038 1.474 -3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.297 -0.419 -3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.805 -0.544 -5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.301 1.847 -2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.868 1.431 -1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.579 0.208 -1.644 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.119 0.858 -5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.380 1.817 -5.729 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.739 1.945 -4.351 1.00 0.00 H new ATOM 1103 N PHE A 107 -4.297 -0.136 -5.049 1.00 0.00 N ATOM 1104 CA PHE A 107 -4.966 -0.348 -6.327 1.00 0.00 C ATOM 1105 C PHE A 107 -5.199 0.977 -7.046 1.00 0.00 C ATOM 1106 O PHE A 107 -5.095 2.048 -6.448 1.00 0.00 O ATOM 1107 CB PHE A 107 -6.300 -1.068 -6.115 1.00 0.00 C ATOM 1108 CG PHE A 107 -6.148 -2.504 -5.704 1.00 0.00 C ATOM 1109 CD1 PHE A 107 -5.567 -2.833 -4.489 1.00 0.00 C ATOM 1110 CD2 PHE A 107 -6.585 -3.525 -6.532 1.00 0.00 C ATOM 1111 CE1 PHE A 107 -5.425 -4.155 -4.110 1.00 0.00 C ATOM 1112 CE2 PHE A 107 -6.446 -4.849 -6.157 1.00 0.00 C ATOM 1113 CZ PHE A 107 -5.866 -5.163 -4.944 1.00 0.00 C ATOM 0 H PHE A 107 -4.733 0.571 -4.457 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.320 -0.969 -6.948 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -6.872 -0.539 -5.353 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -6.879 -1.022 -7.037 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -5.222 -2.049 -3.832 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -7.040 -3.284 -7.482 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -4.969 -4.399 -3.162 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -6.790 -5.636 -6.812 1.00 0.00 H new ATOM 0 HZ PHE A 107 -5.757 -6.196 -4.648 1.00 0.00 H new ATOM 1123 N LYS A 108 -5.514 0.897 -8.334 1.00 0.00 N ATOM 1124 CA LYS A 108 -5.763 2.088 -9.137 1.00 0.00 C ATOM 1125 C LYS A 108 -7.226 2.511 -9.046 1.00 0.00 C ATOM 1126 O LYS A 108 -8.067 1.767 -8.540 1.00 0.00 O ATOM 1127 CB LYS A 108 -5.386 1.832 -10.598 1.00 0.00 C ATOM 1128 CG LYS A 108 -3.943 2.176 -10.923 1.00 0.00 C ATOM 1129 CD LYS A 108 -3.732 2.340 -12.419 1.00 0.00 C ATOM 1130 CE LYS A 108 -2.481 3.151 -12.719 1.00 0.00 C ATOM 1131 NZ LYS A 108 -2.273 3.328 -14.183 1.00 0.00 N ATOM 0 H LYS A 108 -5.603 0.019 -8.845 1.00 0.00 H new ATOM 0 HA LYS A 108 -5.145 2.895 -8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -5.562 0.782 -10.831 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -6.044 2.416 -11.242 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.664 3.097 -10.412 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -3.287 1.391 -10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -3.651 1.358 -12.886 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -4.600 2.832 -12.858 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.559 4.128 -12.242 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.613 2.653 -12.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.331 2.974 -14.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -3.000 2.797 -14.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -2.343 4.337 -14.424 1.00 0.00 H new ATOM 1145 N LYS A 109 -7.524 3.708 -9.539 1.00 0.00 N ATOM 1146 CA LYS A 109 -8.885 4.229 -9.516 1.00 0.00 C ATOM 1147 C LYS A 109 -9.813 3.365 -10.365 1.00 0.00 C ATOM 1148 O LYS A 109 -10.896 2.982 -9.923 1.00 0.00 O ATOM 1149 CB LYS A 109 -8.910 5.672 -10.023 1.00 0.00 C ATOM 1150 CG LYS A 109 -10.273 6.333 -9.912 1.00 0.00 C ATOM 1151 CD LYS A 109 -10.294 7.687 -10.602 1.00 0.00 C ATOM 1152 CE LYS A 109 -11.716 8.191 -10.796 1.00 0.00 C ATOM 1153 NZ LYS A 109 -12.327 7.662 -12.047 1.00 0.00 N ATOM 0 H LYS A 109 -6.840 4.336 -9.960 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.238 4.207 -8.485 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.184 6.259 -9.460 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -8.592 5.687 -11.065 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -11.029 5.686 -10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.535 6.455 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -9.729 8.407 -10.010 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -9.798 7.611 -11.570 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.325 7.896 -9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.714 9.281 -10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -13.296 8.029 -12.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -11.760 7.964 -12.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -12.353 6.623 -12.008 1.00 0.00 H new ATOM 1167 N GLU A 110 -9.380 3.060 -11.584 1.00 0.00 N ATOM 1168 CA GLU A 110 -10.172 2.241 -12.493 1.00 0.00 C ATOM 1169 C GLU A 110 -10.063 0.763 -12.129 1.00 0.00 C ATOM 1170 O GLU A 110 -11.049 0.027 -12.173 1.00 0.00 O ATOM 1171 CB GLU A 110 -9.717 2.456 -13.938 1.00 0.00 C ATOM 1172 CG GLU A 110 -10.531 1.676 -14.956 1.00 0.00 C ATOM 1173 CD GLU A 110 -10.147 2.003 -16.386 1.00 0.00 C ATOM 1174 OE1 GLU A 110 -10.615 3.038 -16.904 1.00 0.00 O ATOM 1175 OE2 GLU A 110 -9.377 1.224 -16.986 1.00 0.00 O ATOM 0 H GLU A 110 -8.485 3.368 -11.965 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.215 2.545 -12.399 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.777 3.518 -14.175 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -8.669 2.169 -14.026 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -10.395 0.608 -14.783 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.590 1.891 -14.810 1.00 0.00 H new ATOM 1182 N PHE A 111 -8.857 0.336 -11.770 1.00 0.00 N ATOM 1183 CA PHE A 111 -8.617 -1.054 -11.400 1.00 0.00 C ATOM 1184 C PHE A 111 -8.813 -1.259 -9.900 1.00 0.00 C ATOM 1185 O PHE A 111 -8.352 -2.249 -9.333 1.00 0.00 O ATOM 1186 CB PHE A 111 -7.202 -1.475 -11.803 1.00 0.00 C ATOM 1187 CG PHE A 111 -6.887 -1.212 -13.248 1.00 0.00 C ATOM 1188 CD1 PHE A 111 -7.499 -1.948 -14.249 1.00 0.00 C ATOM 1189 CD2 PHE A 111 -5.979 -0.228 -13.604 1.00 0.00 C ATOM 1190 CE1 PHE A 111 -7.211 -1.708 -15.579 1.00 0.00 C ATOM 1191 CE2 PHE A 111 -5.687 0.017 -14.933 1.00 0.00 C ATOM 1192 CZ PHE A 111 -6.304 -0.724 -15.922 1.00 0.00 C ATOM 0 H PHE A 111 -8.031 0.932 -11.727 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.338 -1.675 -11.932 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -6.482 -0.944 -11.180 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -7.076 -2.538 -11.600 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -8.209 -2.718 -13.987 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.494 0.354 -12.835 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -7.695 -2.289 -16.350 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -4.977 0.787 -15.198 1.00 0.00 H new ATOM 0 HZ PHE A 111 -6.078 -0.535 -16.961 1.00 0.00 H new ATOM 1202 N ALA A 112 -9.499 -0.315 -9.265 1.00 0.00 N ATOM 1203 CA ALA A 112 -9.758 -0.391 -7.833 1.00 0.00 C ATOM 1204 C ALA A 112 -10.761 -1.495 -7.514 1.00 0.00 C ATOM 1205 O ALA A 112 -11.695 -1.756 -8.273 1.00 0.00 O ATOM 1206 CB ALA A 112 -10.262 0.948 -7.315 1.00 0.00 C ATOM 0 H ALA A 112 -9.886 0.512 -9.720 1.00 0.00 H new ATOM 0 HA ALA A 112 -8.820 -0.632 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -10.451 0.876 -6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.511 1.716 -7.500 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -11.186 1.213 -7.830 1.00 0.00 H new ATOM 1212 N PRO A 113 -10.565 -2.160 -6.366 1.00 0.00 N ATOM 1213 CA PRO A 113 -11.443 -3.246 -5.921 1.00 0.00 C ATOM 1214 C PRO A 113 -12.823 -2.745 -5.510 1.00 0.00 C ATOM 1215 O PRO A 113 -12.971 -1.614 -5.048 1.00 0.00 O ATOM 1216 CB PRO A 113 -10.704 -3.828 -4.713 1.00 0.00 C ATOM 1217 CG PRO A 113 -9.868 -2.705 -4.204 1.00 0.00 C ATOM 1218 CD PRO A 113 -9.473 -1.902 -5.413 1.00 0.00 C ATOM 0 HA PRO A 113 -11.628 -3.970 -6.714 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -11.402 -4.178 -3.953 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -10.089 -4.682 -4.998 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.426 -2.094 -3.495 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -8.989 -3.079 -3.680 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.386 -0.841 -5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -8.509 -2.221 -5.810 1.00 0.00 H new ATOM 1226 N SER A 114 -13.831 -3.595 -5.680 1.00 0.00 N ATOM 1227 CA SER A 114 -15.201 -3.237 -5.330 1.00 0.00 C ATOM 1228 C SER A 114 -15.505 -3.605 -3.881 1.00 0.00 C ATOM 1229 O SER A 114 -14.757 -4.352 -3.249 1.00 0.00 O ATOM 1230 CB SER A 114 -16.189 -3.937 -6.264 1.00 0.00 C ATOM 1231 OG SER A 114 -16.414 -3.172 -7.435 1.00 0.00 O ATOM 0 H SER A 114 -13.725 -4.536 -6.058 1.00 0.00 H new ATOM 0 HA SER A 114 -15.308 -2.158 -5.443 1.00 0.00 H new ATOM 0 HB2 SER A 114 -15.803 -4.919 -6.536 1.00 0.00 H new ATOM 0 HB3 SER A 114 -17.133 -4.098 -5.744 1.00 0.00 H new ATOM 0 HG SER A 114 -17.048 -3.642 -8.016 1.00 0.00 H new ATOM 1237 N ASP A 115 -16.607 -3.076 -3.361 1.00 0.00 N ATOM 1238 CA ASP A 115 -17.012 -3.349 -1.987 1.00 0.00 C ATOM 1239 C ASP A 115 -17.126 -4.851 -1.743 1.00 0.00 C ATOM 1240 O ASP A 115 -16.346 -5.427 -0.985 1.00 0.00 O ATOM 1241 CB ASP A 115 -18.346 -2.667 -1.681 1.00 0.00 C ATOM 1242 CG ASP A 115 -18.352 -1.204 -2.077 1.00 0.00 C ATOM 1243 OD1 ASP A 115 -17.339 -0.517 -1.827 1.00 0.00 O ATOM 1244 OD2 ASP A 115 -19.370 -0.745 -2.636 1.00 0.00 O ATOM 0 H ASP A 115 -17.236 -2.455 -3.870 1.00 0.00 H new ATOM 0 HA ASP A 115 -16.247 -2.948 -1.322 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -19.146 -3.187 -2.209 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -18.559 -2.753 -0.615 1.00 0.00 H new ATOM 1249 N GLU A 116 -18.105 -5.478 -2.389 1.00 0.00 N ATOM 1250 CA GLU A 116 -18.321 -6.912 -2.239 1.00 0.00 C ATOM 1251 C GLU A 116 -17.033 -7.687 -2.500 1.00 0.00 C ATOM 1252 O GLU A 116 -16.683 -8.598 -1.751 1.00 0.00 O ATOM 1253 CB GLU A 116 -19.418 -7.387 -3.195 1.00 0.00 C ATOM 1254 CG GLU A 116 -20.770 -6.741 -2.939 1.00 0.00 C ATOM 1255 CD GLU A 116 -21.925 -7.591 -3.432 1.00 0.00 C ATOM 1256 OE1 GLU A 116 -22.284 -8.565 -2.738 1.00 0.00 O ATOM 1257 OE2 GLU A 116 -22.470 -7.281 -4.513 1.00 0.00 O ATOM 0 H GLU A 116 -18.760 -5.016 -3.020 1.00 0.00 H new ATOM 0 HA GLU A 116 -18.636 -7.101 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -19.112 -7.176 -4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -19.520 -8.469 -3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -20.886 -6.561 -1.870 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -20.803 -5.769 -3.431 1.00 0.00 H new ATOM 1264 N GLU A 117 -16.334 -7.318 -3.569 1.00 0.00 N ATOM 1265 CA GLU A 117 -15.085 -7.980 -3.930 1.00 0.00 C ATOM 1266 C GLU A 117 -14.058 -7.853 -2.808 1.00 0.00 C ATOM 1267 O GLU A 117 -13.325 -8.797 -2.513 1.00 0.00 O ATOM 1268 CB GLU A 117 -14.522 -7.385 -5.222 1.00 0.00 C ATOM 1269 CG GLU A 117 -15.507 -7.399 -6.379 1.00 0.00 C ATOM 1270 CD GLU A 117 -15.984 -8.797 -6.722 1.00 0.00 C ATOM 1271 OE1 GLU A 117 -16.846 -9.327 -5.992 1.00 0.00 O ATOM 1272 OE2 GLU A 117 -15.493 -9.361 -7.723 1.00 0.00 O ATOM 0 H GLU A 117 -16.611 -6.565 -4.199 1.00 0.00 H new ATOM 0 HA GLU A 117 -15.296 -9.038 -4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -14.211 -6.358 -5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -13.629 -7.941 -5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -16.366 -6.777 -6.127 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -15.038 -6.954 -7.256 1.00 0.00 H new ATOM 1279 N LEU A 118 -14.011 -6.679 -2.188 1.00 0.00 N ATOM 1280 CA LEU A 118 -13.074 -6.426 -1.099 1.00 0.00 C ATOM 1281 C LEU A 118 -13.283 -7.418 0.041 1.00 0.00 C ATOM 1282 O LEU A 118 -12.332 -8.030 0.527 1.00 0.00 O ATOM 1283 CB LEU A 118 -13.237 -4.996 -0.581 1.00 0.00 C ATOM 1284 CG LEU A 118 -12.557 -3.903 -1.406 1.00 0.00 C ATOM 1285 CD1 LEU A 118 -13.155 -2.542 -1.085 1.00 0.00 C ATOM 1286 CD2 LEU A 118 -11.056 -3.900 -1.156 1.00 0.00 C ATOM 0 H LEU A 118 -14.611 -5.887 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.063 -6.553 -1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.302 -4.771 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.847 -4.952 0.436 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.728 -4.113 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.659 -1.777 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -14.220 -2.549 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.016 -2.324 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.589 -3.115 -1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -10.864 -3.716 -0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.638 -4.867 -1.438 1.00 0.00 H new ATOM 1298 N ASP A 119 -14.534 -7.574 0.460 1.00 0.00 N ATOM 1299 CA ASP A 119 -14.869 -8.495 1.541 1.00 0.00 C ATOM 1300 C ASP A 119 -14.414 -9.913 1.207 1.00 0.00 C ATOM 1301 O ASP A 119 -13.830 -10.601 2.044 1.00 0.00 O ATOM 1302 CB ASP A 119 -16.375 -8.478 1.805 1.00 0.00 C ATOM 1303 CG ASP A 119 -16.725 -8.973 3.194 1.00 0.00 C ATOM 1304 OD1 ASP A 119 -15.966 -9.803 3.737 1.00 0.00 O ATOM 1305 OD2 ASP A 119 -17.758 -8.532 3.740 1.00 0.00 O ATOM 0 H ASP A 119 -15.333 -7.075 0.068 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.347 -8.167 2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.752 -7.463 1.679 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.878 -9.099 1.064 1.00 0.00 H new ATOM 1310 N SER A 120 -14.687 -10.343 -0.020 1.00 0.00 N ATOM 1311 CA SER A 120 -14.310 -11.680 -0.463 1.00 0.00 C ATOM 1312 C SER A 120 -12.796 -11.799 -0.605 1.00 0.00 C ATOM 1313 O SER A 120 -12.214 -12.844 -0.312 1.00 0.00 O ATOM 1314 CB SER A 120 -14.986 -12.008 -1.796 1.00 0.00 C ATOM 1315 OG SER A 120 -14.346 -11.342 -2.870 1.00 0.00 O ATOM 0 H SER A 120 -15.168 -9.785 -0.725 1.00 0.00 H new ATOM 0 HA SER A 120 -14.644 -12.393 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.961 -13.085 -1.965 1.00 0.00 H new ATOM 0 HB3 SER A 120 -16.035 -11.716 -1.757 1.00 0.00 H new ATOM 0 HG SER A 120 -14.133 -10.423 -2.605 1.00 0.00 H new ATOM 1321 N TYR A 121 -12.164 -10.721 -1.056 1.00 0.00 N ATOM 1322 CA TYR A 121 -10.718 -10.704 -1.239 1.00 0.00 C ATOM 1323 C TYR A 121 -10.000 -11.057 0.060 1.00 0.00 C ATOM 1324 O TYR A 121 -9.096 -11.893 0.075 1.00 0.00 O ATOM 1325 CB TYR A 121 -10.261 -9.329 -1.730 1.00 0.00 C ATOM 1326 CG TYR A 121 -10.320 -9.172 -3.232 1.00 0.00 C ATOM 1327 CD1 TYR A 121 -9.595 -10.014 -4.067 1.00 0.00 C ATOM 1328 CD2 TYR A 121 -11.098 -8.182 -3.818 1.00 0.00 C ATOM 1329 CE1 TYR A 121 -9.644 -9.874 -5.440 1.00 0.00 C ATOM 1330 CE2 TYR A 121 -11.155 -8.035 -5.190 1.00 0.00 C ATOM 1331 CZ TYR A 121 -10.427 -8.884 -5.997 1.00 0.00 C ATOM 1332 OH TYR A 121 -10.479 -8.740 -7.365 1.00 0.00 O ATOM 0 H TYR A 121 -12.631 -9.848 -1.301 1.00 0.00 H new ATOM 0 HA TYR A 121 -10.464 -11.453 -1.989 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -10.883 -8.562 -1.268 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -9.239 -9.154 -1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -8.983 -10.791 -3.634 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -11.669 -7.515 -3.189 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -9.073 -10.536 -6.074 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -11.766 -7.260 -5.628 1.00 0.00 H new ATOM 0 HH TYR A 121 -11.077 -7.998 -7.593 1.00 0.00 H new ATOM 1342 N ARG A 122 -10.410 -10.415 1.149 1.00 0.00 N ATOM 1343 CA ARG A 122 -9.806 -10.660 2.453 1.00 0.00 C ATOM 1344 C ARG A 122 -10.142 -12.062 2.953 1.00 0.00 C ATOM 1345 O ARG A 122 -9.279 -12.770 3.472 1.00 0.00 O ATOM 1346 CB ARG A 122 -10.287 -9.618 3.464 1.00 0.00 C ATOM 1347 CG ARG A 122 -9.438 -8.357 3.489 1.00 0.00 C ATOM 1348 CD ARG A 122 -10.178 -7.200 4.143 1.00 0.00 C ATOM 1349 NE ARG A 122 -10.467 -7.462 5.551 1.00 0.00 N ATOM 1350 CZ ARG A 122 -11.459 -6.881 6.217 1.00 0.00 C ATOM 1351 NH1 ARG A 122 -12.252 -6.011 5.608 1.00 0.00 N ATOM 1352 NH2 ARG A 122 -11.658 -7.170 7.497 1.00 0.00 N ATOM 0 H ARG A 122 -11.158 -9.721 1.154 1.00 0.00 H new ATOM 0 HA ARG A 122 -8.724 -10.581 2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -11.317 -9.348 3.232 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -10.290 -10.064 4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -8.512 -8.551 4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -9.160 -8.084 2.471 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -9.580 -6.293 4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -11.111 -7.018 3.609 1.00 0.00 H new ATOM 0 HE ARG A 122 -9.875 -8.127 6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -12.102 -5.785 4.625 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -13.013 -5.567 6.123 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -11.049 -7.838 7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -12.420 -6.724 8.008 1.00 0.00 H new ATOM 1366 N ARG A 123 -11.401 -12.456 2.793 1.00 0.00 N ATOM 1367 CA ARG A 123 -11.851 -13.772 3.229 1.00 0.00 C ATOM 1368 C ARG A 123 -11.062 -14.876 2.530 1.00 0.00 C ATOM 1369 O ARG A 123 -10.894 -15.969 3.069 1.00 0.00 O ATOM 1370 CB ARG A 123 -13.345 -13.943 2.948 1.00 0.00 C ATOM 1371 CG ARG A 123 -14.222 -12.947 3.690 1.00 0.00 C ATOM 1372 CD ARG A 123 -14.614 -13.466 5.065 1.00 0.00 C ATOM 1373 NE ARG A 123 -15.031 -12.389 5.958 1.00 0.00 N ATOM 1374 CZ ARG A 123 -15.574 -12.594 7.153 1.00 0.00 C ATOM 1375 NH1 ARG A 123 -15.764 -13.829 7.596 1.00 0.00 N ATOM 1376 NH2 ARG A 123 -15.928 -11.561 7.908 1.00 0.00 N ATOM 0 H ARG A 123 -12.128 -11.882 2.365 1.00 0.00 H new ATOM 0 HA ARG A 123 -11.679 -13.849 4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -13.519 -13.840 1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.645 -14.954 3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -13.691 -12.001 3.795 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -15.120 -12.746 3.106 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -15.425 -14.187 4.963 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -13.770 -13.997 5.506 1.00 0.00 H new ATOM 0 HE ARG A 123 -14.898 -11.427 5.647 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -15.493 -14.625 7.019 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -16.181 -13.983 8.514 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -15.783 -10.609 7.571 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -16.345 -11.719 8.825 1.00 0.00 H new ATOM 1390 N GLY A 124 -10.581 -14.581 1.326 1.00 0.00 N ATOM 1391 CA GLY A 124 -9.816 -15.558 0.574 1.00 0.00 C ATOM 1392 C GLY A 124 -8.878 -16.361 1.452 1.00 0.00 C ATOM 1393 O GLY A 124 -8.756 -17.576 1.294 1.00 0.00 O ATOM 0 H GLY A 124 -10.707 -13.683 0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -10.500 -16.236 0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.239 -15.048 -0.197 1.00 0.00 H new ATOM 1397 N SER A 125 -8.210 -15.681 2.379 1.00 0.00 N ATOM 1398 CA SER A 125 -7.272 -16.338 3.282 1.00 0.00 C ATOM 1399 C SER A 125 -7.803 -16.334 4.712 1.00 0.00 C ATOM 1400 O SER A 125 -8.299 -15.319 5.199 1.00 0.00 O ATOM 1401 CB SER A 125 -5.909 -15.645 3.229 1.00 0.00 C ATOM 1402 OG SER A 125 -4.928 -16.398 3.920 1.00 0.00 O ATOM 0 H SER A 125 -8.301 -14.676 2.524 1.00 0.00 H new ATOM 0 HA SER A 125 -7.157 -17.372 2.958 1.00 0.00 H new ATOM 0 HB2 SER A 125 -5.605 -15.512 2.191 1.00 0.00 H new ATOM 0 HB3 SER A 125 -5.986 -14.651 3.669 1.00 0.00 H new ATOM 0 HG SER A 125 -4.066 -15.935 3.870 1.00 0.00 H new ATOM 1408 N GLY A 126 -7.693 -17.478 5.381 1.00 0.00 N ATOM 1409 CA GLY A 126 -8.165 -17.585 6.749 1.00 0.00 C ATOM 1410 C GLY A 126 -9.510 -18.278 6.846 1.00 0.00 C ATOM 1411 O GLY A 126 -10.464 -17.925 6.153 1.00 0.00 O ATOM 0 H GLY A 126 -7.286 -18.332 5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -7.433 -18.135 7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -8.241 -16.588 7.183 1.00 0.00 H new ATOM 1415 N PRO A 127 -9.597 -19.290 7.722 1.00 0.00 N ATOM 1416 CA PRO A 127 -10.830 -20.055 7.926 1.00 0.00 C ATOM 1417 C PRO A 127 -11.915 -19.235 8.616 1.00 0.00 C ATOM 1418 O PRO A 127 -11.828 -18.955 9.812 1.00 0.00 O ATOM 1419 CB PRO A 127 -10.385 -21.213 8.822 1.00 0.00 C ATOM 1420 CG PRO A 127 -9.185 -20.697 9.539 1.00 0.00 C ATOM 1421 CD PRO A 127 -8.499 -19.764 8.581 1.00 0.00 C ATOM 0 HA PRO A 127 -11.272 -20.373 6.982 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -11.172 -21.498 9.521 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -10.145 -22.099 8.234 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -9.471 -20.177 10.453 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -8.524 -21.513 9.830 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -8.012 -18.940 9.102 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -7.729 -20.276 8.003 1.00 0.00 H new ATOM 1429 N SER A 128 -12.935 -18.852 7.855 1.00 0.00 N ATOM 1430 CA SER A 128 -14.035 -18.060 8.393 1.00 0.00 C ATOM 1431 C SER A 128 -15.010 -18.941 9.169 1.00 0.00 C ATOM 1432 O SER A 128 -15.034 -20.160 8.998 1.00 0.00 O ATOM 1433 CB SER A 128 -14.772 -17.338 7.264 1.00 0.00 C ATOM 1434 OG SER A 128 -13.885 -16.524 6.516 1.00 0.00 O ATOM 0 H SER A 128 -13.023 -19.077 6.864 1.00 0.00 H new ATOM 0 HA SER A 128 -13.617 -17.320 9.076 1.00 0.00 H new ATOM 0 HB2 SER A 128 -15.242 -18.069 6.606 1.00 0.00 H new ATOM 0 HB3 SER A 128 -15.570 -16.724 7.681 1.00 0.00 H new ATOM 0 HG SER A 128 -14.379 -16.074 5.799 1.00 0.00 H new ATOM 1440 N SER A 129 -15.813 -18.315 10.023 1.00 0.00 N ATOM 1441 CA SER A 129 -16.788 -19.041 10.829 1.00 0.00 C ATOM 1442 C SER A 129 -18.140 -18.333 10.814 1.00 0.00 C ATOM 1443 O SER A 129 -18.241 -17.171 10.423 1.00 0.00 O ATOM 1444 CB SER A 129 -16.289 -19.180 12.268 1.00 0.00 C ATOM 1445 OG SER A 129 -16.197 -17.916 12.901 1.00 0.00 O ATOM 0 H SER A 129 -15.808 -17.306 10.175 1.00 0.00 H new ATOM 0 HA SER A 129 -16.912 -20.034 10.397 1.00 0.00 H new ATOM 0 HB2 SER A 129 -16.966 -19.823 12.830 1.00 0.00 H new ATOM 0 HB3 SER A 129 -15.312 -19.664 12.272 1.00 0.00 H new ATOM 0 HG SER A 129 -15.877 -18.033 13.820 1.00 0.00 H new ATOM 1451 N GLY A 130 -19.178 -19.045 11.243 1.00 0.00 N ATOM 1452 CA GLY A 130 -20.510 -18.470 11.271 1.00 0.00 C ATOM 1453 C GLY A 130 -21.553 -19.447 11.778 1.00 0.00 C ATOM 1454 O GLY A 130 -22.748 -19.153 11.763 1.00 0.00 O ATOM 0 H GLY A 130 -19.120 -20.009 11.571 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -20.507 -17.584 11.907 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -20.782 -18.141 10.268 1.00 0.00 H new TER 1458 GLY A 130