USER MOD reduce.3.24.130724 H: found=0, std=0, add=481, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 480 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 51 ASN : amide:sc=-0.00121 K(o=-0.0012,f=-2.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 86:sc= 1.16 USER MOD Single : A 58 SER OG : rot 86:sc= 0.578 USER MOD Single : A 63 ASN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 73 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.049) USER MOD Single : A 74 ASN : amide:sc= -0.0147 K(o=-0.015,f=-0.67) USER MOD Single : A 77 ASN : amide:sc= -0.123 K(o=-0.12,f=-0.65) USER MOD Single : A 78 ASN : amide:sc= -0.611 K(o=-0.61,f=-7.3!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.253 K(o=-0.25,f=-4!) USER MOD Single : A 85 ASN :FLIP amide:sc= -0.196 F(o=-1.2,f=-0.2) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.0781 K(o=-0.078,f=-2.7) USER MOD Single : A 93 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 TYR OH : rot -130:sc= 0 USER MOD Single : A 96 HIS :FLIP no HD1:sc= -0.386 F(o=-1.3,f=-0.39) USER MOD Single : A 97 LYS NZ :NH3+ 159:sc= 1.38 (180deg=1.09) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 162:sc= 0.846 (180deg=0.149) USER MOD Single : A 105 LYS NZ :NH3+ 154:sc= 1.21 (180deg=0.652) USER MOD Single : A 107 GLN : amide:sc= 0.679 K(o=0.68,f=-0.0056) USER MOD ----------------------------------------------------------------- ATOM 8 N GLU A 48 -0.062 12.174 -5.027 1.00 0.00 N ATOM 9 CA GLU A 48 0.608 11.019 -5.614 1.00 0.00 C ATOM 10 C GLU A 48 0.828 9.954 -4.557 1.00 0.00 C ATOM 11 O GLU A 48 0.361 8.834 -4.714 1.00 0.00 O ATOM 12 CB GLU A 48 1.926 11.451 -6.267 1.00 0.00 C ATOM 13 CG GLU A 48 2.877 10.283 -6.550 1.00 0.00 C ATOM 14 CD GLU A 48 3.958 10.646 -7.568 1.00 0.00 C ATOM 15 OE1 GLU A 48 4.838 11.472 -7.220 1.00 0.00 O ATOM 16 OE2 GLU A 48 3.952 10.074 -8.684 1.00 0.00 O ATOM 0 HA GLU A 48 -0.023 10.590 -6.393 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.708 11.967 -7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.427 12.168 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.349 9.969 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.304 9.433 -6.920 1.00 0.00 H new ATOM 23 N VAL A 49 1.485 10.310 -3.455 1.00 0.00 N ATOM 24 CA VAL A 49 1.756 9.364 -2.375 1.00 0.00 C ATOM 25 C VAL A 49 0.468 8.669 -1.922 1.00 0.00 C ATOM 26 O VAL A 49 0.456 7.450 -1.804 1.00 0.00 O ATOM 27 CB VAL A 49 2.548 10.042 -1.249 1.00 0.00 C ATOM 28 CG1 VAL A 49 1.824 11.264 -0.692 1.00 0.00 C ATOM 29 CG2 VAL A 49 2.947 9.065 -0.141 1.00 0.00 C ATOM 0 H VAL A 49 1.841 11.251 -3.286 1.00 0.00 H new ATOM 0 HA VAL A 49 2.399 8.563 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 49 3.475 10.397 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.422 11.711 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.675 11.993 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.856 10.962 -0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.505 9.597 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.051 8.626 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.570 8.275 -0.560 1.00 0.00 H new ATOM 39 N ARG A 50 -0.640 9.389 -1.707 1.00 0.00 N ATOM 40 CA ARG A 50 -1.871 8.707 -1.293 1.00 0.00 C ATOM 41 C ARG A 50 -2.437 7.839 -2.415 1.00 0.00 C ATOM 42 O ARG A 50 -3.058 6.823 -2.119 1.00 0.00 O ATOM 43 CB ARG A 50 -2.980 9.650 -0.854 1.00 0.00 C ATOM 44 CG ARG A 50 -2.768 10.608 0.322 1.00 0.00 C ATOM 45 CD ARG A 50 -4.185 11.030 0.747 1.00 0.00 C ATOM 46 NE ARG A 50 -4.265 12.277 1.524 1.00 0.00 N ATOM 47 CZ ARG A 50 -4.628 13.475 1.044 1.00 0.00 C ATOM 48 NH1 ARG A 50 -4.661 13.714 -0.265 1.00 0.00 N ATOM 49 NH2 ARG A 50 -4.939 14.444 1.895 1.00 0.00 N ATOM 0 H ARG A 50 -0.711 10.402 -1.807 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.565 8.101 -0.440 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.247 10.257 -1.719 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -3.848 9.036 -0.616 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.239 10.119 1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.170 11.470 0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.797 11.140 -0.148 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -4.624 10.225 1.337 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.023 12.225 2.514 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.407 12.978 -0.924 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.940 14.633 -0.609 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.900 14.272 2.900 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.217 15.361 1.545 1.00 0.00 H new ATOM 63 N ASN A 51 -2.255 8.243 -3.674 1.00 0.00 N ATOM 64 CA ASN A 51 -2.748 7.523 -4.843 1.00 0.00 C ATOM 65 C ASN A 51 -2.079 6.156 -4.895 1.00 0.00 C ATOM 66 O ASN A 51 -2.764 5.136 -4.876 1.00 0.00 O ATOM 67 CB ASN A 51 -2.491 8.293 -6.153 1.00 0.00 C ATOM 68 CG ASN A 51 -3.114 9.683 -6.212 1.00 0.00 C ATOM 69 OD1 ASN A 51 -2.889 10.540 -5.350 1.00 0.00 O ATOM 70 ND2 ASN A 51 -3.874 9.948 -7.256 1.00 0.00 N ATOM 0 H ASN A 51 -1.750 9.097 -3.911 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.828 7.414 -4.748 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.415 8.387 -6.297 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.874 7.703 -6.986 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.288 10.874 -7.363 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.048 9.227 -7.956 1.00 0.00 H new ATOM 77 N ILE A 52 -0.742 6.129 -4.923 1.00 0.00 N ATOM 78 CA ILE A 52 0.018 4.886 -4.975 1.00 0.00 C ATOM 79 C ILE A 52 -0.251 4.035 -3.735 1.00 0.00 C ATOM 80 O ILE A 52 -0.287 2.812 -3.842 1.00 0.00 O ATOM 81 CB ILE A 52 1.525 5.167 -5.149 1.00 0.00 C ATOM 82 CG1 ILE A 52 2.285 3.871 -5.446 1.00 0.00 C ATOM 83 CG2 ILE A 52 2.168 5.799 -3.915 1.00 0.00 C ATOM 84 CD1 ILE A 52 3.474 4.101 -6.373 1.00 0.00 C ATOM 0 H ILE A 52 -0.162 6.968 -4.910 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.313 4.320 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 52 1.593 5.870 -5.979 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.635 3.434 -4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.606 3.149 -5.901 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.228 5.970 -4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.680 6.749 -3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.055 5.129 -3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.982 3.154 -6.555 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.123 4.512 -7.319 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.168 4.801 -5.908 1.00 0.00 H new ATOM 96 N VAL A 53 -0.432 4.666 -2.570 1.00 0.00 N ATOM 97 CA VAL A 53 -0.701 3.996 -1.313 1.00 0.00 C ATOM 98 C VAL A 53 -2.010 3.242 -1.481 1.00 0.00 C ATOM 99 O VAL A 53 -2.006 2.012 -1.413 1.00 0.00 O ATOM 100 CB VAL A 53 -0.672 5.046 -0.171 1.00 0.00 C ATOM 101 CG1 VAL A 53 -1.422 4.733 1.119 1.00 0.00 C ATOM 102 CG2 VAL A 53 0.770 5.330 0.264 1.00 0.00 C ATOM 0 H VAL A 53 -0.393 5.682 -2.483 1.00 0.00 H new ATOM 0 HA VAL A 53 0.052 3.259 -1.036 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.188 5.882 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.307 5.562 1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.480 4.588 0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.017 3.824 1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.769 6.069 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.231 4.409 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.337 5.715 -0.584 1.00 0.00 H new ATOM 112 N ASP A 54 -3.107 3.956 -1.719 1.00 0.00 N ATOM 113 CA ASP A 54 -4.449 3.409 -1.902 1.00 0.00 C ATOM 114 C ASP A 54 -4.455 2.257 -2.911 1.00 0.00 C ATOM 115 O ASP A 54 -4.880 1.144 -2.589 1.00 0.00 O ATOM 116 CB ASP A 54 -5.389 4.550 -2.331 1.00 0.00 C ATOM 117 CG ASP A 54 -6.782 4.063 -2.726 1.00 0.00 C ATOM 118 OD1 ASP A 54 -6.916 3.455 -3.802 1.00 0.00 O ATOM 119 OD2 ASP A 54 -7.734 4.332 -1.954 1.00 0.00 O ATOM 0 H ASP A 54 -3.085 4.973 -1.793 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.802 2.988 -0.961 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.479 5.265 -1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.945 5.082 -3.172 1.00 0.00 H new ATOM 124 N LYS A 55 -3.908 2.491 -4.104 1.00 0.00 N ATOM 125 CA LYS A 55 -3.866 1.506 -5.174 1.00 0.00 C ATOM 126 C LYS A 55 -3.052 0.294 -4.778 1.00 0.00 C ATOM 127 O LYS A 55 -3.511 -0.836 -4.984 1.00 0.00 O ATOM 128 CB LYS A 55 -3.370 2.183 -6.446 1.00 0.00 C ATOM 129 CG LYS A 55 -4.514 3.019 -7.037 1.00 0.00 C ATOM 130 CD LYS A 55 -4.034 3.756 -8.293 1.00 0.00 C ATOM 131 CE LYS A 55 -5.158 4.593 -8.910 1.00 0.00 C ATOM 132 NZ LYS A 55 -4.849 4.996 -10.298 1.00 0.00 N ATOM 0 H LYS A 55 -3.478 3.382 -4.353 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.867 1.122 -5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.512 2.819 -6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.037 1.436 -7.166 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.356 2.373 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.869 3.737 -6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.194 4.402 -8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.671 3.034 -9.025 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.086 4.021 -8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.323 5.483 -8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.635 5.561 -10.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.978 5.564 -10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.717 4.147 -10.885 1.00 0.00 H new ATOM 146 N THR A 56 -1.859 0.498 -4.217 1.00 0.00 N ATOM 147 CA THR A 56 -1.064 -0.634 -3.779 1.00 0.00 C ATOM 148 C THR A 56 -1.847 -1.417 -2.715 1.00 0.00 C ATOM 149 O THR A 56 -1.850 -2.650 -2.773 1.00 0.00 O ATOM 150 CB THR A 56 0.306 -0.143 -3.305 1.00 0.00 C ATOM 151 OG1 THR A 56 0.917 0.464 -4.425 1.00 0.00 O ATOM 152 CG2 THR A 56 1.184 -1.291 -2.790 1.00 0.00 C ATOM 0 H THR A 56 -1.437 1.413 -4.061 1.00 0.00 H new ATOM 0 HA THR A 56 -0.874 -1.326 -4.599 1.00 0.00 H new ATOM 0 HB THR A 56 0.187 0.551 -2.473 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.629 1.399 -4.488 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.146 -0.895 -2.464 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.689 -1.779 -1.950 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.341 -2.015 -3.589 1.00 0.00 H new ATOM 160 N ALA A 57 -2.532 -0.740 -1.779 1.00 0.00 N ATOM 161 CA ALA A 57 -3.293 -1.441 -0.754 1.00 0.00 C ATOM 162 C ALA A 57 -4.389 -2.284 -1.394 1.00 0.00 C ATOM 163 O ALA A 57 -4.498 -3.429 -0.994 1.00 0.00 O ATOM 164 CB ALA A 57 -3.888 -0.519 0.303 1.00 0.00 C ATOM 0 H ALA A 57 -2.570 0.277 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.584 -2.085 -0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.441 -1.111 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.087 0.022 0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.563 0.192 -0.173 1.00 0.00 H new ATOM 170 N SER A 58 -5.138 -1.803 -2.387 1.00 0.00 N ATOM 171 CA SER A 58 -6.198 -2.583 -3.035 1.00 0.00 C ATOM 172 C SER A 58 -5.714 -3.995 -3.390 1.00 0.00 C ATOM 173 O SER A 58 -6.299 -5.003 -2.998 1.00 0.00 O ATOM 174 CB SER A 58 -6.667 -1.863 -4.310 1.00 0.00 C ATOM 175 OG SER A 58 -7.783 -2.522 -4.879 1.00 0.00 O ATOM 0 H SER A 58 -5.029 -0.862 -2.766 1.00 0.00 H new ATOM 0 HA SER A 58 -7.028 -2.673 -2.334 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.929 -0.832 -4.075 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.852 -1.828 -5.033 1.00 0.00 H new ATOM 0 HG SER A 58 -8.605 -2.195 -4.458 1.00 0.00 H new ATOM 181 N PHE A 59 -4.588 -4.076 -4.092 1.00 0.00 N ATOM 182 CA PHE A 59 -4.022 -5.343 -4.515 1.00 0.00 C ATOM 183 C PHE A 59 -3.523 -6.169 -3.335 1.00 0.00 C ATOM 184 O PHE A 59 -3.772 -7.371 -3.282 1.00 0.00 O ATOM 185 CB PHE A 59 -2.916 -5.041 -5.517 1.00 0.00 C ATOM 186 CG PHE A 59 -2.698 -6.095 -6.578 1.00 0.00 C ATOM 187 CD1 PHE A 59 -3.674 -6.265 -7.579 1.00 0.00 C ATOM 188 CD2 PHE A 59 -1.503 -6.839 -6.627 1.00 0.00 C ATOM 189 CE1 PHE A 59 -3.445 -7.154 -8.638 1.00 0.00 C ATOM 190 CE2 PHE A 59 -1.285 -7.739 -7.684 1.00 0.00 C ATOM 191 CZ PHE A 59 -2.252 -7.891 -8.693 1.00 0.00 C ATOM 0 H PHE A 59 -4.045 -3.262 -4.381 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.790 -5.956 -4.987 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.143 -4.095 -6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.983 -4.900 -4.971 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.599 -5.710 -7.531 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.757 -6.718 -5.855 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.188 -7.272 -9.413 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.372 -8.315 -7.721 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.077 -8.575 -9.510 1.00 0.00 H new ATOM 201 N VAL A 60 -2.810 -5.556 -2.393 1.00 0.00 N ATOM 202 CA VAL A 60 -2.296 -6.252 -1.215 1.00 0.00 C ATOM 203 C VAL A 60 -3.449 -6.745 -0.326 1.00 0.00 C ATOM 204 O VAL A 60 -3.338 -7.759 0.363 1.00 0.00 O ATOM 205 CB VAL A 60 -1.259 -5.354 -0.532 1.00 0.00 C ATOM 206 CG1 VAL A 60 -0.730 -5.990 0.748 1.00 0.00 C ATOM 207 CG2 VAL A 60 -0.051 -5.089 -1.448 1.00 0.00 C ATOM 0 H VAL A 60 -2.572 -4.565 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.771 -7.168 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.771 -4.419 -0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.003 -5.327 1.207 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.555 -6.154 1.441 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.259 -6.944 0.512 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.664 -4.449 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.427 -6.035 -1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.387 -4.595 -2.360 1.00 0.00 H new ATOM 217 N ALA A 61 -4.593 -6.085 -0.385 1.00 0.00 N ATOM 218 CA ALA A 61 -5.765 -6.418 0.372 1.00 0.00 C ATOM 219 C ALA A 61 -6.457 -7.584 -0.301 1.00 0.00 C ATOM 220 O ALA A 61 -6.817 -8.540 0.384 1.00 0.00 O ATOM 221 CB ALA A 61 -6.690 -5.194 0.404 1.00 0.00 C ATOM 0 H ALA A 61 -4.725 -5.273 -0.988 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.504 -6.696 1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.587 -5.431 0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.171 -4.358 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.970 -4.923 -0.614 1.00 0.00 H new ATOM 227 N ARG A 62 -6.604 -7.532 -1.627 1.00 0.00 N ATOM 228 CA ARG A 62 -7.297 -8.586 -2.349 1.00 0.00 C ATOM 229 C ARG A 62 -6.497 -9.880 -2.457 1.00 0.00 C ATOM 230 O ARG A 62 -7.049 -10.949 -2.224 1.00 0.00 O ATOM 231 CB ARG A 62 -7.844 -8.009 -3.664 1.00 0.00 C ATOM 232 CG ARG A 62 -6.949 -8.088 -4.894 1.00 0.00 C ATOM 233 CD ARG A 62 -7.204 -9.418 -5.614 1.00 0.00 C ATOM 234 NE ARG A 62 -6.479 -9.531 -6.873 1.00 0.00 N ATOM 235 CZ ARG A 62 -6.810 -8.923 -8.010 1.00 0.00 C ATOM 236 NH1 ARG A 62 -7.881 -8.142 -8.082 1.00 0.00 N ATOM 237 NH2 ARG A 62 -6.034 -9.108 -9.064 1.00 0.00 N ATOM 0 H ARG A 62 -6.253 -6.775 -2.213 1.00 0.00 H new ATOM 0 HA ARG A 62 -8.160 -8.923 -1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.777 -8.523 -3.894 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.090 -6.961 -3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.155 -7.252 -5.563 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.901 -8.013 -4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.915 -10.240 -4.960 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.272 -9.523 -5.805 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.650 -10.125 -6.884 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.465 -8.000 -7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.120 -7.684 -8.961 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.209 -9.703 -8.991 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.261 -8.656 -9.950 1.00 0.00 H new ATOM 251 N ASN A 63 -5.217 -9.794 -2.827 1.00 0.00 N ATOM 252 CA ASN A 63 -4.355 -10.965 -2.981 1.00 0.00 C ATOM 253 C ASN A 63 -3.934 -11.474 -1.609 1.00 0.00 C ATOM 254 O ASN A 63 -3.952 -12.676 -1.360 1.00 0.00 O ATOM 255 CB ASN A 63 -3.084 -10.667 -3.795 1.00 0.00 C ATOM 256 CG ASN A 63 -3.312 -10.293 -5.256 1.00 0.00 C ATOM 257 OD1 ASN A 63 -3.135 -11.086 -6.172 1.00 0.00 O ATOM 258 ND2 ASN A 63 -3.696 -9.058 -5.516 1.00 0.00 N ATOM 0 H ASN A 63 -4.750 -8.910 -3.028 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.936 -11.713 -3.521 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.545 -9.853 -3.310 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -2.437 -11.543 -3.759 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -3.846 -8.763 -6.481 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -3.843 -8.398 -4.752 1.00 0.00 H new ATOM 265 N GLY A 64 -3.551 -10.573 -0.703 1.00 0.00 N ATOM 266 CA GLY A 64 -3.121 -10.920 0.638 1.00 0.00 C ATOM 267 C GLY A 64 -1.838 -10.180 1.021 1.00 0.00 C ATOM 268 O GLY A 64 -1.138 -9.636 0.157 1.00 0.00 O ATOM 0 H GLY A 64 -3.533 -9.570 -0.890 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.910 -10.676 1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.956 -11.995 0.702 1.00 0.00 H new ATOM 272 N PRO A 65 -1.492 -10.192 2.318 1.00 0.00 N ATOM 273 CA PRO A 65 -0.314 -9.522 2.862 1.00 0.00 C ATOM 274 C PRO A 65 1.012 -10.068 2.332 1.00 0.00 C ATOM 275 O PRO A 65 2.059 -9.464 2.576 1.00 0.00 O ATOM 276 CB PRO A 65 -0.424 -9.674 4.377 1.00 0.00 C ATOM 277 CG PRO A 65 -1.306 -10.901 4.566 1.00 0.00 C ATOM 278 CD PRO A 65 -2.253 -10.825 3.382 1.00 0.00 C ATOM 0 HA PRO A 65 -0.301 -8.478 2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.555 -9.813 4.835 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.868 -8.790 4.835 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.723 -11.822 4.559 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.842 -10.871 5.515 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.592 -11.818 3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.143 -10.245 3.627 1.00 0.00 H new ATOM 286 N GLU A 66 0.986 -11.186 1.599 1.00 0.00 N ATOM 287 CA GLU A 66 2.182 -11.777 1.029 1.00 0.00 C ATOM 288 C GLU A 66 2.869 -10.764 0.114 1.00 0.00 C ATOM 289 O GLU A 66 4.098 -10.662 0.081 1.00 0.00 O ATOM 290 CB GLU A 66 1.825 -13.067 0.244 1.00 0.00 C ATOM 291 CG GLU A 66 1.112 -12.905 -1.126 1.00 0.00 C ATOM 292 CD GLU A 66 0.935 -14.190 -1.957 1.00 0.00 C ATOM 293 OE1 GLU A 66 1.312 -15.291 -1.497 1.00 0.00 O ATOM 294 OE2 GLU A 66 0.474 -14.097 -3.121 1.00 0.00 O ATOM 0 H GLU A 66 0.130 -11.700 1.389 1.00 0.00 H new ATOM 0 HA GLU A 66 2.866 -12.047 1.834 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.747 -13.625 0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.190 -13.683 0.882 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.127 -12.472 -0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.674 -12.186 -1.722 1.00 0.00 H new ATOM 301 N PHE A 67 2.045 -10.030 -0.635 1.00 0.00 N ATOM 302 CA PHE A 67 2.461 -9.039 -1.597 1.00 0.00 C ATOM 303 C PHE A 67 3.094 -7.858 -0.917 1.00 0.00 C ATOM 304 O PHE A 67 4.021 -7.281 -1.466 1.00 0.00 O ATOM 305 CB PHE A 67 1.276 -8.585 -2.447 1.00 0.00 C ATOM 306 CG PHE A 67 1.062 -9.412 -3.690 1.00 0.00 C ATOM 307 CD1 PHE A 67 0.261 -10.562 -3.660 1.00 0.00 C ATOM 308 CD2 PHE A 67 1.671 -9.012 -4.891 1.00 0.00 C ATOM 309 CE1 PHE A 67 0.021 -11.280 -4.845 1.00 0.00 C ATOM 310 CE2 PHE A 67 1.400 -9.711 -6.081 1.00 0.00 C ATOM 311 CZ PHE A 67 0.563 -10.839 -6.062 1.00 0.00 C ATOM 0 H PHE A 67 1.031 -10.122 -0.577 1.00 0.00 H new ATOM 0 HA PHE A 67 3.205 -9.497 -2.248 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.372 -8.619 -1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 67 1.426 -7.545 -2.736 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.171 -10.896 -2.728 1.00 0.00 H new ATOM 0 HD2 PHE A 67 2.346 -8.169 -4.901 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.583 -12.175 -4.818 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.836 -9.380 -7.012 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.338 -11.364 -6.979 1.00 0.00 H new ATOM 321 N GLU A 68 2.603 -7.496 0.261 1.00 0.00 N ATOM 322 CA GLU A 68 3.139 -6.364 0.971 1.00 0.00 C ATOM 323 C GLU A 68 4.624 -6.560 1.244 1.00 0.00 C ATOM 324 O GLU A 68 5.419 -5.646 1.051 1.00 0.00 O ATOM 325 CB GLU A 68 2.392 -6.213 2.298 1.00 0.00 C ATOM 326 CG GLU A 68 2.542 -4.796 2.844 1.00 0.00 C ATOM 327 CD GLU A 68 1.724 -4.545 4.108 1.00 0.00 C ATOM 328 OE1 GLU A 68 0.525 -4.899 4.177 1.00 0.00 O ATOM 329 OE2 GLU A 68 2.301 -3.970 5.058 1.00 0.00 O ATOM 0 H GLU A 68 1.837 -7.974 0.736 1.00 0.00 H new ATOM 0 HA GLU A 68 3.013 -5.468 0.364 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.336 -6.443 2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.779 -6.930 3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.594 -4.606 3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.238 -4.084 2.076 1.00 0.00 H new ATOM 336 N ALA A 69 4.984 -7.764 1.695 1.00 0.00 N ATOM 337 CA ALA A 69 6.359 -8.084 2.017 1.00 0.00 C ATOM 338 C ALA A 69 7.190 -8.237 0.745 1.00 0.00 C ATOM 339 O ALA A 69 8.309 -7.733 0.687 1.00 0.00 O ATOM 340 CB ALA A 69 6.403 -9.372 2.846 1.00 0.00 C ATOM 0 H ALA A 69 4.330 -8.532 1.843 1.00 0.00 H new ATOM 0 HA ALA A 69 6.786 -7.268 2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.438 -9.613 3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.838 -9.231 3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.965 -10.189 2.273 1.00 0.00 H new ATOM 346 N ARG A 70 6.661 -8.936 -0.266 1.00 0.00 N ATOM 347 CA ARG A 70 7.346 -9.157 -1.537 1.00 0.00 C ATOM 348 C ARG A 70 7.692 -7.829 -2.180 1.00 0.00 C ATOM 349 O ARG A 70 8.866 -7.559 -2.417 1.00 0.00 O ATOM 350 CB ARG A 70 6.460 -10.001 -2.458 1.00 0.00 C ATOM 351 CG ARG A 70 6.492 -11.466 -2.016 1.00 0.00 C ATOM 352 CD ARG A 70 5.216 -12.190 -2.431 1.00 0.00 C ATOM 353 NE ARG A 70 5.157 -13.545 -1.856 1.00 0.00 N ATOM 354 CZ ARG A 70 4.476 -14.582 -2.353 1.00 0.00 C ATOM 355 NH1 ARG A 70 3.758 -14.453 -3.460 1.00 0.00 N ATOM 356 NH2 ARG A 70 4.492 -15.759 -1.739 1.00 0.00 N ATOM 0 H ARG A 70 5.737 -9.366 -0.221 1.00 0.00 H new ATOM 0 HA ARG A 70 8.276 -9.698 -1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.436 -9.628 -2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.806 -9.916 -3.488 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.356 -11.964 -2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.610 -11.521 -0.934 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.348 -11.617 -2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.168 -12.252 -3.518 1.00 0.00 H new ATOM 0 HE ARG A 70 5.685 -13.707 -0.999 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.721 -13.555 -3.942 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.243 -15.252 -3.830 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.028 -15.878 -0.879 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.969 -16.544 -2.127 1.00 0.00 H new ATOM 370 N ILE A 71 6.679 -7.011 -2.464 1.00 0.00 N ATOM 371 CA ILE A 71 6.845 -5.708 -3.087 1.00 0.00 C ATOM 372 C ILE A 71 7.844 -4.892 -2.267 1.00 0.00 C ATOM 373 O ILE A 71 8.778 -4.345 -2.854 1.00 0.00 O ATOM 374 CB ILE A 71 5.479 -4.998 -3.222 1.00 0.00 C ATOM 375 CG1 ILE A 71 4.452 -5.764 -4.090 1.00 0.00 C ATOM 376 CG2 ILE A 71 5.689 -3.614 -3.846 1.00 0.00 C ATOM 377 CD1 ILE A 71 3.023 -5.269 -3.819 1.00 0.00 C ATOM 0 H ILE A 71 5.706 -7.243 -2.263 1.00 0.00 H new ATOM 0 HA ILE A 71 7.241 -5.820 -4.096 1.00 0.00 H new ATOM 0 HB ILE A 71 5.070 -4.939 -2.213 1.00 0.00 H new ATOM 0 HG12 ILE A 71 4.692 -5.632 -5.145 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.517 -6.831 -3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.728 -3.109 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.346 -3.023 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.142 -3.724 -4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.321 -5.824 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.777 -5.425 -2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.955 -4.207 -4.054 1.00 0.00 H new ATOM 389 N ARG A 72 7.682 -4.829 -0.938 1.00 0.00 N ATOM 390 CA ARG A 72 8.587 -4.061 -0.094 1.00 0.00 C ATOM 391 C ARG A 72 10.025 -4.507 -0.269 1.00 0.00 C ATOM 392 O ARG A 72 10.900 -3.666 -0.364 1.00 0.00 O ATOM 393 CB ARG A 72 8.173 -4.158 1.377 1.00 0.00 C ATOM 394 CG ARG A 72 8.958 -3.159 2.232 1.00 0.00 C ATOM 395 CD ARG A 72 8.327 -3.038 3.615 1.00 0.00 C ATOM 396 NE ARG A 72 8.763 -4.082 4.543 1.00 0.00 N ATOM 397 CZ ARG A 72 8.373 -4.131 5.818 1.00 0.00 C ATOM 398 NH1 ARG A 72 7.532 -3.223 6.309 1.00 0.00 N ATOM 399 NH2 ARG A 72 8.837 -5.094 6.598 1.00 0.00 N ATOM 0 H ARG A 72 6.933 -5.302 -0.432 1.00 0.00 H new ATOM 0 HA ARG A 72 8.520 -3.019 -0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.105 -3.964 1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.346 -5.170 1.742 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.994 -3.484 2.324 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.972 -2.184 1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.573 -2.063 4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.242 -3.079 3.517 1.00 0.00 H new ATOM 0 HE ARG A 72 9.394 -4.806 4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.178 -2.478 5.709 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.242 -3.272 7.286 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.485 -5.787 6.223 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.547 -5.143 7.575 1.00 0.00 H new ATOM 413 N GLN A 73 10.292 -5.811 -0.286 1.00 0.00 N ATOM 414 CA GLN A 73 11.647 -6.312 -0.438 1.00 0.00 C ATOM 415 C GLN A 73 12.196 -6.028 -1.837 1.00 0.00 C ATOM 416 O GLN A 73 13.373 -5.692 -1.978 1.00 0.00 O ATOM 417 CB GLN A 73 11.661 -7.824 -0.148 1.00 0.00 C ATOM 418 CG GLN A 73 13.029 -8.320 0.332 1.00 0.00 C ATOM 419 CD GLN A 73 13.317 -7.843 1.752 1.00 0.00 C ATOM 420 OE1 GLN A 73 12.914 -8.466 2.729 1.00 0.00 O ATOM 421 NE2 GLN A 73 14.022 -6.739 1.910 1.00 0.00 N ATOM 0 H GLN A 73 9.582 -6.538 -0.196 1.00 0.00 H new ATOM 0 HA GLN A 73 12.293 -5.796 0.273 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.910 -8.052 0.609 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.379 -8.366 -1.051 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.057 -9.409 0.298 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.807 -7.960 -0.341 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.355 -6.225 1.094 1.00 0.00 H new ATOM 0 HE22 GLN A 73 14.235 -6.399 2.848 1.00 0.00 H new ATOM 430 N ASN A 74 11.356 -6.161 -2.862 1.00 0.00 N ATOM 431 CA ASN A 74 11.735 -5.953 -4.252 1.00 0.00 C ATOM 432 C ASN A 74 12.079 -4.495 -4.539 1.00 0.00 C ATOM 433 O ASN A 74 13.076 -4.223 -5.210 1.00 0.00 O ATOM 434 CB ASN A 74 10.617 -6.446 -5.191 1.00 0.00 C ATOM 435 CG ASN A 74 10.372 -7.948 -5.060 1.00 0.00 C ATOM 436 OD1 ASN A 74 11.288 -8.714 -4.764 1.00 0.00 O ATOM 437 ND2 ASN A 74 9.143 -8.413 -5.244 1.00 0.00 N ATOM 0 H ASN A 74 10.377 -6.421 -2.744 1.00 0.00 H new ATOM 0 HA ASN A 74 12.636 -6.537 -4.438 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.695 -5.909 -4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.882 -6.212 -6.222 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.954 -9.410 -5.140 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.387 -7.774 -5.489 1.00 0.00 H new ATOM 444 N GLU A 75 11.298 -3.553 -4.015 1.00 0.00 N ATOM 445 CA GLU A 75 11.464 -2.112 -4.202 1.00 0.00 C ATOM 446 C GLU A 75 11.844 -1.429 -2.879 1.00 0.00 C ATOM 447 O GLU A 75 11.374 -0.336 -2.553 1.00 0.00 O ATOM 448 CB GLU A 75 10.186 -1.551 -4.843 1.00 0.00 C ATOM 449 CG GLU A 75 9.991 -1.954 -6.318 1.00 0.00 C ATOM 450 CD GLU A 75 10.724 -1.011 -7.289 1.00 0.00 C ATOM 451 OE1 GLU A 75 11.901 -0.659 -7.054 1.00 0.00 O ATOM 452 OE2 GLU A 75 10.137 -0.594 -8.319 1.00 0.00 O ATOM 0 H GLU A 75 10.499 -3.782 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 75 12.292 -1.904 -4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.325 -1.891 -4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.206 -0.463 -4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.352 -2.972 -6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.927 -1.956 -6.553 1.00 0.00 H new ATOM 459 N ILE A 76 12.709 -2.078 -2.098 1.00 0.00 N ATOM 460 CA ILE A 76 13.175 -1.563 -0.816 1.00 0.00 C ATOM 461 C ILE A 76 14.044 -0.309 -1.002 1.00 0.00 C ATOM 462 O ILE A 76 14.118 0.537 -0.110 1.00 0.00 O ATOM 463 CB ILE A 76 13.894 -2.696 -0.041 1.00 0.00 C ATOM 464 CG1 ILE A 76 14.232 -2.331 1.415 1.00 0.00 C ATOM 465 CG2 ILE A 76 15.159 -3.193 -0.750 1.00 0.00 C ATOM 466 CD1 ILE A 76 12.996 -2.049 2.275 1.00 0.00 C ATOM 0 H ILE A 76 13.108 -2.984 -2.343 1.00 0.00 H new ATOM 0 HA ILE A 76 12.324 -1.241 -0.216 1.00 0.00 H new ATOM 0 HB ILE A 76 13.164 -3.505 -0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 76 14.799 -3.147 1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 76 14.878 -1.453 1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 76 15.619 -3.986 -0.160 1.00 0.00 H new ATOM 0 HG22 ILE A 76 14.896 -3.579 -1.735 1.00 0.00 H new ATOM 0 HG23 ILE A 76 15.863 -2.368 -0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 76 13.308 -1.798 3.289 1.00 0.00 H new ATOM 0 HD12 ILE A 76 12.440 -1.214 1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 76 12.360 -2.934 2.299 1.00 0.00 H new ATOM 478 N ASN A 77 14.714 -0.169 -2.150 1.00 0.00 N ATOM 479 CA ASN A 77 15.586 0.956 -2.486 1.00 0.00 C ATOM 480 C ASN A 77 14.820 1.926 -3.379 1.00 0.00 C ATOM 481 O ASN A 77 15.314 2.296 -4.444 1.00 0.00 O ATOM 482 CB ASN A 77 16.867 0.447 -3.174 1.00 0.00 C ATOM 483 CG ASN A 77 17.663 -0.496 -2.292 1.00 0.00 C ATOM 484 OD1 ASN A 77 17.604 -1.711 -2.458 1.00 0.00 O ATOM 485 ND2 ASN A 77 18.396 0.027 -1.330 1.00 0.00 N ATOM 0 H ASN A 77 14.661 -0.862 -2.896 1.00 0.00 H new ATOM 0 HA ASN A 77 15.888 1.480 -1.579 1.00 0.00 H new ATOM 0 HB2 ASN A 77 16.600 -0.064 -4.099 1.00 0.00 H new ATOM 0 HB3 ASN A 77 17.491 1.298 -3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 77 18.928 -0.580 -0.707 1.00 0.00 H new ATOM 0 HD22 ASN A 77 18.432 1.039 -1.209 1.00 0.00 H new ATOM 492 N ASN A 78 13.596 2.312 -2.996 1.00 0.00 N ATOM 493 CA ASN A 78 12.812 3.217 -3.827 1.00 0.00 C ATOM 494 C ASN A 78 11.754 4.005 -3.048 1.00 0.00 C ATOM 495 O ASN A 78 10.954 3.413 -2.317 1.00 0.00 O ATOM 496 CB ASN A 78 12.057 2.355 -4.850 1.00 0.00 C ATOM 497 CG ASN A 78 11.825 3.004 -6.200 1.00 0.00 C ATOM 498 OD1 ASN A 78 11.595 4.201 -6.320 1.00 0.00 O ATOM 499 ND2 ASN A 78 11.784 2.211 -7.246 1.00 0.00 N ATOM 0 H ASN A 78 13.140 2.016 -2.133 1.00 0.00 H new ATOM 0 HA ASN A 78 13.503 3.934 -4.270 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.613 1.430 -5.001 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.091 2.081 -4.426 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.560 2.591 -8.166 1.00 0.00 H new ATOM 0 HD22 ASN A 78 11.977 1.215 -7.139 1.00 0.00 H new ATOM 506 N PRO A 79 11.652 5.321 -3.269 1.00 0.00 N ATOM 507 CA PRO A 79 10.668 6.181 -2.631 1.00 0.00 C ATOM 508 C PRO A 79 9.273 5.805 -3.150 1.00 0.00 C ATOM 509 O PRO A 79 8.284 5.964 -2.438 1.00 0.00 O ATOM 510 CB PRO A 79 11.087 7.608 -2.977 1.00 0.00 C ATOM 511 CG PRO A 79 11.859 7.442 -4.276 1.00 0.00 C ATOM 512 CD PRO A 79 12.537 6.103 -4.095 1.00 0.00 C ATOM 0 HA PRO A 79 10.622 6.075 -1.547 1.00 0.00 H new ATOM 0 HB2 PRO A 79 10.224 8.261 -3.103 1.00 0.00 H new ATOM 0 HB3 PRO A 79 11.706 8.046 -2.194 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.198 7.447 -5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.582 8.245 -4.422 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.705 5.617 -5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 79 13.512 6.220 -3.622 1.00 0.00 H new ATOM 520 N LYS A 80 9.179 5.205 -4.343 1.00 0.00 N ATOM 521 CA LYS A 80 7.929 4.759 -4.953 1.00 0.00 C ATOM 522 C LYS A 80 7.222 3.692 -4.119 1.00 0.00 C ATOM 523 O LYS A 80 6.056 3.404 -4.383 1.00 0.00 O ATOM 524 CB LYS A 80 8.252 4.178 -6.342 1.00 0.00 C ATOM 525 CG LYS A 80 8.334 5.254 -7.418 1.00 0.00 C ATOM 526 CD LYS A 80 6.941 5.748 -7.814 1.00 0.00 C ATOM 527 CE LYS A 80 7.066 6.690 -9.008 1.00 0.00 C ATOM 528 NZ LYS A 80 5.767 6.871 -9.673 1.00 0.00 N ATOM 0 H LYS A 80 9.995 5.013 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 80 7.259 5.616 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.199 3.641 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.487 3.452 -6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.930 6.091 -7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.845 4.857 -8.295 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.300 4.903 -8.067 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.472 6.264 -6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.446 7.656 -8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.790 6.289 -9.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.878 7.516 -10.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.418 5.951 -10.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.085 7.275 -8.999 1.00 0.00 H new ATOM 542 N PHE A 81 7.903 3.102 -3.137 1.00 0.00 N ATOM 543 CA PHE A 81 7.385 2.060 -2.270 1.00 0.00 C ATOM 544 C PHE A 81 7.828 2.294 -0.818 1.00 0.00 C ATOM 545 O PHE A 81 7.737 1.382 0.005 1.00 0.00 O ATOM 546 CB PHE A 81 7.864 0.704 -2.816 1.00 0.00 C ATOM 547 CG PHE A 81 7.514 0.385 -4.272 1.00 0.00 C ATOM 548 CD1 PHE A 81 8.191 1.000 -5.340 1.00 0.00 C ATOM 549 CD2 PHE A 81 6.518 -0.554 -4.581 1.00 0.00 C ATOM 550 CE1 PHE A 81 7.819 0.747 -6.670 1.00 0.00 C ATOM 551 CE2 PHE A 81 6.139 -0.821 -5.909 1.00 0.00 C ATOM 552 CZ PHE A 81 6.783 -0.152 -6.962 1.00 0.00 C ATOM 0 H PHE A 81 8.868 3.351 -2.920 1.00 0.00 H new ATOM 0 HA PHE A 81 6.295 2.073 -2.262 1.00 0.00 H new ATOM 0 HB2 PHE A 81 8.948 0.658 -2.709 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.448 -0.082 -2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.008 1.676 -5.135 1.00 0.00 H new ATOM 0 HD2 PHE A 81 6.030 -1.086 -3.778 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.335 1.249 -7.475 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.357 -1.536 -6.117 1.00 0.00 H new ATOM 0 HZ PHE A 81 6.484 -0.328 -7.985 1.00 0.00 H new ATOM 562 N ASN A 82 8.324 3.491 -0.475 1.00 0.00 N ATOM 563 CA ASN A 82 8.780 3.809 0.883 1.00 0.00 C ATOM 564 C ASN A 82 7.670 3.695 1.925 1.00 0.00 C ATOM 565 O ASN A 82 7.945 3.404 3.089 1.00 0.00 O ATOM 566 CB ASN A 82 9.401 5.218 0.971 1.00 0.00 C ATOM 567 CG ASN A 82 8.452 6.394 0.697 1.00 0.00 C ATOM 568 OD1 ASN A 82 7.294 6.243 0.310 1.00 0.00 O ATOM 569 ND2 ASN A 82 8.929 7.617 0.838 1.00 0.00 N ATOM 0 H ASN A 82 8.420 4.265 -1.132 1.00 0.00 H new ATOM 0 HA ASN A 82 9.542 3.062 1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.825 5.344 1.967 1.00 0.00 H new ATOM 0 HB3 ASN A 82 10.228 5.273 0.263 1.00 0.00 H new ATOM 0 HD21 ASN A 82 8.339 8.422 0.627 1.00 0.00 H new ATOM 0 HD22 ASN A 82 9.887 7.757 1.158 1.00 0.00 H new ATOM 576 N PHE A 83 6.418 3.864 1.503 1.00 0.00 N ATOM 577 CA PHE A 83 5.253 3.812 2.367 1.00 0.00 C ATOM 578 C PHE A 83 5.039 2.417 2.966 1.00 0.00 C ATOM 579 O PHE A 83 4.330 2.280 3.967 1.00 0.00 O ATOM 580 CB PHE A 83 4.036 4.349 1.597 1.00 0.00 C ATOM 581 CG PHE A 83 3.641 3.569 0.354 1.00 0.00 C ATOM 582 CD1 PHE A 83 2.866 2.401 0.495 1.00 0.00 C ATOM 583 CD2 PHE A 83 3.997 4.003 -0.944 1.00 0.00 C ATOM 584 CE1 PHE A 83 2.410 1.712 -0.639 1.00 0.00 C ATOM 585 CE2 PHE A 83 3.605 3.265 -2.057 1.00 0.00 C ATOM 586 CZ PHE A 83 2.741 2.176 -1.918 1.00 0.00 C ATOM 0 H PHE A 83 6.186 4.045 0.526 1.00 0.00 H new ATOM 0 HA PHE A 83 5.411 4.456 3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.183 4.372 2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.240 5.380 1.306 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.622 2.034 1.481 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.573 4.907 -1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.804 0.825 -0.526 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.972 3.536 -3.036 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.330 1.694 -2.793 1.00 0.00 H new ATOM 596 N LEU A 84 5.650 1.381 2.378 1.00 0.00 N ATOM 597 CA LEU A 84 5.528 0.016 2.868 1.00 0.00 C ATOM 598 C LEU A 84 6.319 -0.186 4.165 1.00 0.00 C ATOM 599 O LEU A 84 6.048 -1.138 4.905 1.00 0.00 O ATOM 600 CB LEU A 84 5.967 -0.984 1.789 1.00 0.00 C ATOM 601 CG LEU A 84 5.027 -1.072 0.578 1.00 0.00 C ATOM 602 CD1 LEU A 84 5.593 -2.096 -0.406 1.00 0.00 C ATOM 603 CD2 LEU A 84 3.613 -1.517 0.965 1.00 0.00 C ATOM 0 H LEU A 84 6.240 1.472 1.551 1.00 0.00 H new ATOM 0 HA LEU A 84 4.478 -0.167 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.962 -0.708 1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 84 6.050 -1.973 2.241 1.00 0.00 H new ATOM 0 HG LEU A 84 4.961 -0.076 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 84 4.936 -2.170 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.585 -1.780 -0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.662 -3.069 0.081 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.989 -1.563 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.656 -2.502 1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.187 -0.803 1.669 1.00 0.00 H new ATOM 615 N ASN A 85 7.326 0.648 4.433 1.00 0.00 N ATOM 616 CA ASN A 85 8.132 0.582 5.655 1.00 0.00 C ATOM 617 C ASN A 85 7.416 1.368 6.749 1.00 0.00 C ATOM 618 O ASN A 85 6.673 2.302 6.462 1.00 0.00 O ATOM 619 CB ASN A 85 9.537 1.156 5.434 1.00 0.00 C ATOM 620 CG ASN A 85 10.446 0.112 4.811 1.00 0.00 C ATOM 621 OD1 ASN A 85 10.992 0.388 3.646 1.00 0.00 O flip ATOM 622 ND2 ASN A 85 10.631 -0.961 5.384 1.00 0.00 N flip ATOM 0 H ASN A 85 7.608 1.397 3.801 1.00 0.00 H new ATOM 0 HA ASN A 85 8.247 -0.462 5.946 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.481 2.031 4.786 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.954 1.489 6.384 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.191 -1.140 6.287 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.224 -1.672 4.956 1.00 0.00 H new ATOM 629 N PRO A 86 7.658 1.044 8.026 1.00 0.00 N ATOM 630 CA PRO A 86 7.020 1.714 9.156 1.00 0.00 C ATOM 631 C PRO A 86 7.580 3.115 9.388 1.00 0.00 C ATOM 632 O PRO A 86 6.964 3.925 10.085 1.00 0.00 O ATOM 633 CB PRO A 86 7.341 0.823 10.356 1.00 0.00 C ATOM 634 CG PRO A 86 8.703 0.251 9.979 1.00 0.00 C ATOM 635 CD PRO A 86 8.534 -0.014 8.490 1.00 0.00 C ATOM 0 HA PRO A 86 5.952 1.845 8.984 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.381 1.391 11.285 1.00 0.00 H new ATOM 0 HB3 PRO A 86 6.595 0.040 10.493 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.511 0.955 10.179 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.930 -0.660 10.532 1.00 0.00 H new ATOM 0 HD2 PRO A 86 9.493 0.010 7.972 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.098 -0.997 8.309 1.00 0.00 H new ATOM 643 N ASN A 87 8.747 3.397 8.811 1.00 0.00 N ATOM 644 CA ASN A 87 9.471 4.652 8.912 1.00 0.00 C ATOM 645 C ASN A 87 8.862 5.755 8.055 1.00 0.00 C ATOM 646 O ASN A 87 9.448 6.832 7.944 1.00 0.00 O ATOM 647 CB ASN A 87 10.935 4.429 8.507 1.00 0.00 C ATOM 648 CG ASN A 87 11.618 3.308 9.275 1.00 0.00 C ATOM 649 OD1 ASN A 87 12.193 2.399 8.677 1.00 0.00 O ATOM 650 ND2 ASN A 87 11.523 3.292 10.591 1.00 0.00 N ATOM 0 H ASN A 87 9.235 2.715 8.230 1.00 0.00 H new ATOM 0 HA ASN A 87 9.407 4.982 9.949 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.978 4.206 7.441 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.490 5.354 8.661 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.928 2.521 11.122 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.044 4.050 11.077 1.00 0.00 H new ATOM 657 N ASP A 88 7.726 5.508 7.406 1.00 0.00 N ATOM 658 CA ASP A 88 7.080 6.500 6.561 1.00 0.00 C ATOM 659 C ASP A 88 5.933 7.166 7.320 1.00 0.00 C ATOM 660 O ASP A 88 5.279 6.518 8.152 1.00 0.00 O ATOM 661 CB ASP A 88 6.629 5.856 5.244 1.00 0.00 C ATOM 662 CG ASP A 88 7.238 6.624 4.078 1.00 0.00 C ATOM 663 OD1 ASP A 88 8.491 6.675 4.009 1.00 0.00 O ATOM 664 OD2 ASP A 88 6.459 7.237 3.320 1.00 0.00 O ATOM 0 H ASP A 88 7.232 4.617 7.453 1.00 0.00 H new ATOM 0 HA ASP A 88 7.789 7.286 6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.941 4.812 5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.541 5.866 5.174 1.00 0.00 H new ATOM 669 N PRO A 89 5.670 8.456 7.064 1.00 0.00 N ATOM 670 CA PRO A 89 4.610 9.194 7.727 1.00 0.00 C ATOM 671 C PRO A 89 3.225 8.725 7.301 1.00 0.00 C ATOM 672 O PRO A 89 2.257 9.007 8.002 1.00 0.00 O ATOM 673 CB PRO A 89 4.805 10.652 7.323 1.00 0.00 C ATOM 674 CG PRO A 89 5.676 10.634 6.076 1.00 0.00 C ATOM 675 CD PRO A 89 6.374 9.288 6.105 1.00 0.00 C ATOM 0 HA PRO A 89 4.665 9.044 8.805 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.847 11.132 7.122 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.283 11.217 8.123 1.00 0.00 H new ATOM 0 HG2 PRO A 89 5.076 10.748 5.173 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.396 11.452 6.085 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.363 8.828 5.117 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.419 9.404 6.391 1.00 0.00 H new ATOM 683 N TYR A 90 3.136 8.013 6.179 1.00 0.00 N ATOM 684 CA TYR A 90 1.900 7.499 5.624 1.00 0.00 C ATOM 685 C TYR A 90 1.716 6.013 5.875 1.00 0.00 C ATOM 686 O TYR A 90 0.673 5.491 5.493 1.00 0.00 O ATOM 687 CB TYR A 90 1.911 7.761 4.123 1.00 0.00 C ATOM 688 CG TYR A 90 1.756 9.220 3.785 1.00 0.00 C ATOM 689 CD1 TYR A 90 0.467 9.774 3.738 1.00 0.00 C ATOM 690 CD2 TYR A 90 2.877 10.005 3.473 1.00 0.00 C ATOM 691 CE1 TYR A 90 0.276 11.058 3.213 1.00 0.00 C ATOM 692 CE2 TYR A 90 2.694 11.316 3.006 1.00 0.00 C ATOM 693 CZ TYR A 90 1.392 11.838 2.834 1.00 0.00 C ATOM 694 OH TYR A 90 1.215 13.074 2.295 1.00 0.00 O ATOM 0 H TYR A 90 3.954 7.774 5.618 1.00 0.00 H new ATOM 0 HA TYR A 90 1.070 8.007 6.115 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.846 7.392 3.701 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.105 7.196 3.654 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.377 9.210 4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 90 3.873 9.603 3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.723 11.452 3.098 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.553 11.929 2.777 1.00 0.00 H new ATOM 0 HH TYR A 90 2.088 13.471 2.093 1.00 0.00 H new ATOM 704 N HIS A 91 2.673 5.327 6.509 1.00 0.00 N ATOM 705 CA HIS A 91 2.520 3.894 6.756 1.00 0.00 C ATOM 706 C HIS A 91 1.207 3.600 7.486 1.00 0.00 C ATOM 707 O HIS A 91 0.451 2.735 7.062 1.00 0.00 O ATOM 708 CB HIS A 91 3.705 3.344 7.541 1.00 0.00 C ATOM 709 CG HIS A 91 3.649 1.843 7.675 1.00 0.00 C ATOM 710 ND1 HIS A 91 4.028 0.948 6.705 1.00 0.00 N ATOM 711 CD2 HIS A 91 3.209 1.125 8.756 1.00 0.00 C ATOM 712 CE1 HIS A 91 3.883 -0.286 7.215 1.00 0.00 C ATOM 713 NE2 HIS A 91 3.397 -0.230 8.469 1.00 0.00 N ATOM 0 H HIS A 91 3.543 5.732 6.853 1.00 0.00 H new ATOM 0 HA HIS A 91 2.491 3.392 5.789 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.632 3.629 7.044 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.723 3.796 8.533 1.00 0.00 H new ATOM 0 HD1 HIS A 91 4.359 1.178 5.768 1.00 0.00 H new ATOM 0 HD2 HIS A 91 2.792 1.532 9.665 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.124 -1.199 6.690 1.00 0.00 H new ATOM 721 N ALA A 92 0.896 4.353 8.544 1.00 0.00 N ATOM 722 CA ALA A 92 -0.328 4.169 9.313 1.00 0.00 C ATOM 723 C ALA A 92 -1.598 4.324 8.465 1.00 0.00 C ATOM 724 O ALA A 92 -2.611 3.698 8.785 1.00 0.00 O ATOM 725 CB ALA A 92 -0.317 5.169 10.467 1.00 0.00 C ATOM 0 H ALA A 92 1.490 5.107 8.889 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.351 3.146 9.689 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -1.225 5.051 11.059 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.554 4.988 11.097 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.272 6.183 10.069 1.00 0.00 H new ATOM 731 N TYR A 93 -1.556 5.174 7.437 1.00 0.00 N ATOM 732 CA TYR A 93 -2.663 5.402 6.522 1.00 0.00 C ATOM 733 C TYR A 93 -2.703 4.216 5.553 1.00 0.00 C ATOM 734 O TYR A 93 -3.780 3.682 5.304 1.00 0.00 O ATOM 735 CB TYR A 93 -2.482 6.752 5.813 1.00 0.00 C ATOM 736 CG TYR A 93 -3.352 6.974 4.589 1.00 0.00 C ATOM 737 CD1 TYR A 93 -4.753 7.045 4.697 1.00 0.00 C ATOM 738 CD2 TYR A 93 -2.751 7.102 3.326 1.00 0.00 C ATOM 739 CE1 TYR A 93 -5.545 7.289 3.560 1.00 0.00 C ATOM 740 CE2 TYR A 93 -3.533 7.326 2.181 1.00 0.00 C ATOM 741 CZ TYR A 93 -4.933 7.447 2.296 1.00 0.00 C ATOM 742 OH TYR A 93 -5.675 7.738 1.194 1.00 0.00 O ATOM 0 H TYR A 93 -0.731 5.732 7.218 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.619 5.460 7.043 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.685 7.548 6.529 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.438 6.849 5.516 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.224 6.911 5.660 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.677 7.027 3.234 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.619 7.355 3.653 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.062 7.406 1.212 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.464 8.256 1.458 1.00 0.00 H new ATOM 752 N TYR A 94 -1.547 3.759 5.048 1.00 0.00 N ATOM 753 CA TYR A 94 -1.482 2.621 4.135 1.00 0.00 C ATOM 754 C TYR A 94 -2.108 1.405 4.824 1.00 0.00 C ATOM 755 O TYR A 94 -2.870 0.657 4.208 1.00 0.00 O ATOM 756 CB TYR A 94 -0.038 2.323 3.673 1.00 0.00 C ATOM 757 CG TYR A 94 0.065 1.048 2.845 1.00 0.00 C ATOM 758 CD1 TYR A 94 -0.150 1.042 1.456 1.00 0.00 C ATOM 759 CD2 TYR A 94 0.279 -0.173 3.498 1.00 0.00 C ATOM 760 CE1 TYR A 94 -0.223 -0.164 0.743 1.00 0.00 C ATOM 761 CE2 TYR A 94 0.222 -1.386 2.793 1.00 0.00 C ATOM 762 CZ TYR A 94 -0.038 -1.386 1.414 1.00 0.00 C ATOM 763 OH TYR A 94 -0.132 -2.561 0.744 1.00 0.00 O ATOM 0 H TYR A 94 -0.638 4.169 5.263 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.042 2.863 3.232 1.00 0.00 H new ATOM 0 HB2 TYR A 94 0.331 3.163 3.085 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.608 2.237 4.547 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.261 1.979 0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.490 -0.181 4.557 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.421 -0.154 -0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.378 -2.320 3.313 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.731 -3.167 1.228 1.00 0.00 H new ATOM 773 N ARG A 95 -1.802 1.227 6.115 1.00 0.00 N ATOM 774 CA ARG A 95 -2.329 0.134 6.929 1.00 0.00 C ATOM 775 C ARG A 95 -3.852 0.196 6.901 1.00 0.00 C ATOM 776 O ARG A 95 -4.496 -0.816 6.639 1.00 0.00 O ATOM 777 CB ARG A 95 -1.824 0.211 8.383 1.00 0.00 C ATOM 778 CG ARG A 95 -0.349 -0.148 8.612 1.00 0.00 C ATOM 779 CD ARG A 95 -0.051 -1.551 8.088 1.00 0.00 C ATOM 780 NE ARG A 95 1.000 -2.261 8.829 1.00 0.00 N ATOM 781 CZ ARG A 95 0.817 -3.100 9.855 1.00 0.00 C ATOM 782 NH1 ARG A 95 -0.325 -3.108 10.533 1.00 0.00 N ATOM 783 NH2 ARG A 95 1.783 -3.947 10.188 1.00 0.00 N ATOM 0 H ARG A 95 -1.174 1.847 6.626 1.00 0.00 H new ATOM 0 HA ARG A 95 -1.979 -0.811 6.514 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.990 1.224 8.749 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.436 -0.453 8.993 1.00 0.00 H new ATOM 0 HG2 ARG A 95 0.290 0.578 8.109 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -0.117 -0.094 9.676 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -0.966 -2.142 8.123 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.243 -1.480 7.041 1.00 0.00 H new ATOM 0 HE ARG A 95 1.962 -2.099 8.533 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -1.077 -2.469 10.274 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -0.451 -3.753 11.313 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.657 -3.955 9.663 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.651 -4.590 10.969 1.00 0.00 H new ATOM 797 N HIS A 96 -4.425 1.375 7.159 1.00 0.00 N ATOM 798 CA HIS A 96 -5.865 1.556 7.148 1.00 0.00 C ATOM 799 C HIS A 96 -6.441 1.101 5.821 1.00 0.00 C ATOM 800 O HIS A 96 -7.401 0.336 5.830 1.00 0.00 O ATOM 801 CB HIS A 96 -6.234 3.018 7.452 1.00 0.00 C ATOM 802 CG HIS A 96 -7.716 3.314 7.433 1.00 0.00 C ATOM 803 ND1 HIS A 96 -8.557 3.216 6.352 1.00 0.00 N flip ATOM 804 CD2 HIS A 96 -8.431 3.881 8.465 1.00 0.00 C flip ATOM 805 CE1 HIS A 96 -9.794 3.735 6.731 1.00 0.00 C flip ATOM 806 NE2 HIS A 96 -9.677 4.099 8.015 1.00 0.00 N flip ATOM 0 H HIS A 96 -3.900 2.222 7.379 1.00 0.00 H new ATOM 0 HA HIS A 96 -6.302 0.939 7.934 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -5.837 3.282 8.432 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -5.740 3.662 6.724 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -8.058 4.108 9.453 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -10.674 3.826 6.111 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.434 4.490 8.576 1.00 0.00 H new ATOM 814 N LYS A 97 -5.888 1.563 4.697 1.00 0.00 N ATOM 815 CA LYS A 97 -6.387 1.191 3.382 1.00 0.00 C ATOM 816 C LYS A 97 -6.402 -0.322 3.208 1.00 0.00 C ATOM 817 O LYS A 97 -7.383 -0.821 2.673 1.00 0.00 O ATOM 818 CB LYS A 97 -5.531 1.821 2.299 1.00 0.00 C ATOM 819 CG LYS A 97 -5.510 3.361 2.298 1.00 0.00 C ATOM 820 CD LYS A 97 -6.897 4.001 2.194 1.00 0.00 C ATOM 821 CE LYS A 97 -7.564 3.586 0.883 1.00 0.00 C ATOM 822 NZ LYS A 97 -8.842 4.276 0.638 1.00 0.00 N ATOM 0 H LYS A 97 -5.090 2.198 4.678 1.00 0.00 H new ATOM 0 HA LYS A 97 -7.410 1.559 3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.509 1.459 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.889 1.477 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.028 3.708 3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.898 3.706 1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.513 3.694 3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -6.811 5.087 2.241 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.884 3.791 0.056 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.736 2.510 0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.066 4.241 -0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.598 3.807 1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -8.765 5.268 0.942 1.00 0.00 H new ATOM 836 N VAL A 98 -5.358 -1.046 3.633 1.00 0.00 N ATOM 837 CA VAL A 98 -5.314 -2.504 3.507 1.00 0.00 C ATOM 838 C VAL A 98 -6.583 -3.079 4.127 1.00 0.00 C ATOM 839 O VAL A 98 -7.323 -3.796 3.457 1.00 0.00 O ATOM 840 CB VAL A 98 -4.036 -3.083 4.148 1.00 0.00 C ATOM 841 CG1 VAL A 98 -4.052 -4.627 4.133 1.00 0.00 C ATOM 842 CG2 VAL A 98 -2.760 -2.512 3.485 1.00 0.00 C ATOM 0 H VAL A 98 -4.530 -0.641 4.069 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.275 -2.786 2.455 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.019 -2.771 5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -3.138 -5.005 4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.915 -4.987 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.114 -4.980 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -1.879 -2.942 3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.758 -2.763 2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -2.743 -1.428 3.601 1.00 0.00 H new ATOM 852 N SER A 99 -6.850 -2.738 5.386 1.00 0.00 N ATOM 853 CA SER A 99 -8.034 -3.201 6.077 1.00 0.00 C ATOM 854 C SER A 99 -9.300 -2.750 5.327 1.00 0.00 C ATOM 855 O SER A 99 -10.194 -3.555 5.113 1.00 0.00 O ATOM 856 CB SER A 99 -8.009 -2.626 7.498 1.00 0.00 C ATOM 857 OG SER A 99 -7.121 -3.331 8.350 1.00 0.00 O ATOM 0 H SER A 99 -6.249 -2.135 5.947 1.00 0.00 H new ATOM 0 HA SER A 99 -8.047 -4.290 6.119 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.714 -1.577 7.458 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.014 -2.659 7.918 1.00 0.00 H new ATOM 0 HG SER A 99 -7.137 -2.929 9.244 1.00 0.00 H new ATOM 863 N GLU A 100 -9.385 -1.494 4.896 1.00 0.00 N ATOM 864 CA GLU A 100 -10.521 -0.898 4.187 1.00 0.00 C ATOM 865 C GLU A 100 -10.922 -1.701 2.951 1.00 0.00 C ATOM 866 O GLU A 100 -12.091 -2.066 2.795 1.00 0.00 O ATOM 867 CB GLU A 100 -10.162 0.547 3.793 1.00 0.00 C ATOM 868 CG GLU A 100 -11.229 1.587 4.174 1.00 0.00 C ATOM 869 CD GLU A 100 -11.067 2.913 3.411 1.00 0.00 C ATOM 870 OE1 GLU A 100 -9.992 3.182 2.830 1.00 0.00 O ATOM 871 OE2 GLU A 100 -12.042 3.697 3.374 1.00 0.00 O ATOM 0 H GLU A 100 -8.626 -0.828 5.038 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.381 -0.905 4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.220 0.818 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.998 0.588 2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.218 1.176 3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -11.175 1.780 5.245 1.00 0.00 H new ATOM 878 N PHE A 101 -9.948 -1.967 2.075 1.00 0.00 N ATOM 879 CA PHE A 101 -10.145 -2.719 0.853 1.00 0.00 C ATOM 880 C PHE A 101 -10.548 -4.156 1.146 1.00 0.00 C ATOM 881 O PHE A 101 -11.238 -4.779 0.338 1.00 0.00 O ATOM 882 CB PHE A 101 -8.865 -2.655 0.015 1.00 0.00 C ATOM 883 CG PHE A 101 -8.772 -1.439 -0.881 1.00 0.00 C ATOM 884 CD1 PHE A 101 -9.403 -1.481 -2.133 1.00 0.00 C ATOM 885 CD2 PHE A 101 -7.985 -0.324 -0.539 1.00 0.00 C ATOM 886 CE1 PHE A 101 -9.256 -0.413 -3.028 1.00 0.00 C ATOM 887 CE2 PHE A 101 -7.850 0.752 -1.435 1.00 0.00 C ATOM 888 CZ PHE A 101 -8.502 0.716 -2.674 1.00 0.00 C ATOM 0 H PHE A 101 -8.986 -1.655 2.207 1.00 0.00 H new ATOM 0 HA PHE A 101 -10.964 -2.275 0.287 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.005 -2.666 0.684 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.802 -3.552 -0.601 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.002 -2.337 -2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.482 -0.294 0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.727 -0.459 -3.999 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.244 1.605 -1.168 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.425 1.552 -3.353 1.00 0.00 H new ATOM 898 N LYS A 102 -10.114 -4.690 2.286 1.00 0.00 N ATOM 899 CA LYS A 102 -10.454 -6.054 2.685 1.00 0.00 C ATOM 900 C LYS A 102 -11.866 -6.114 3.235 1.00 0.00 C ATOM 901 O LYS A 102 -12.581 -7.076 2.958 1.00 0.00 O ATOM 902 CB LYS A 102 -9.475 -6.523 3.749 1.00 0.00 C ATOM 903 CG LYS A 102 -8.185 -6.942 3.072 1.00 0.00 C ATOM 904 CD LYS A 102 -7.096 -7.382 4.044 1.00 0.00 C ATOM 905 CE LYS A 102 -6.773 -8.885 4.107 1.00 0.00 C ATOM 906 NZ LYS A 102 -7.036 -9.665 2.871 1.00 0.00 N ATOM 0 H LYS A 102 -9.522 -4.195 2.953 1.00 0.00 H new ATOM 0 HA LYS A 102 -10.394 -6.702 1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -9.284 -5.724 4.465 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -9.897 -7.358 4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -8.396 -7.760 2.383 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -7.812 -6.110 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -6.180 -6.850 3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.384 -7.057 5.044 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.720 -8.999 4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -7.351 -9.326 4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.516 -10.565 2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -8.055 -9.857 2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.721 -9.120 2.043 1.00 0.00 H new ATOM 920 N GLU A 103 -12.286 -5.097 3.986 1.00 0.00 N ATOM 921 CA GLU A 103 -13.626 -5.051 4.555 1.00 0.00 C ATOM 922 C GLU A 103 -14.664 -4.910 3.428 1.00 0.00 C ATOM 923 O GLU A 103 -15.848 -5.178 3.632 1.00 0.00 O ATOM 924 CB GLU A 103 -13.751 -3.911 5.574 1.00 0.00 C ATOM 925 CG GLU A 103 -12.670 -3.918 6.673 1.00 0.00 C ATOM 926 CD GLU A 103 -13.160 -3.930 8.116 1.00 0.00 C ATOM 927 OE1 GLU A 103 -13.719 -2.909 8.572 1.00 0.00 O ATOM 928 OE2 GLU A 103 -12.791 -4.880 8.848 1.00 0.00 O ATOM 0 H GLU A 103 -11.709 -4.288 4.214 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.816 -5.983 5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -13.707 -2.960 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.732 -3.968 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -12.037 -4.792 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -12.039 -3.040 6.535 1.00 0.00 H new ATOM 935 N GLY A 104 -14.221 -4.504 2.233 1.00 0.00 N ATOM 936 CA GLY A 104 -15.038 -4.351 1.042 1.00 0.00 C ATOM 937 C GLY A 104 -15.956 -3.142 1.094 1.00 0.00 C ATOM 938 O GLY A 104 -17.036 -3.169 0.500 1.00 0.00 O ATOM 0 H GLY A 104 -13.243 -4.265 2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -14.387 -4.267 0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -15.640 -5.250 0.905 1.00 0.00 H new ATOM 942 N LYS A 105 -15.554 -2.086 1.805 1.00 0.00 N ATOM 943 CA LYS A 105 -16.355 -0.873 1.956 1.00 0.00 C ATOM 944 C LYS A 105 -15.699 0.409 1.463 1.00 0.00 C ATOM 945 O LYS A 105 -16.391 1.428 1.404 1.00 0.00 O ATOM 946 CB LYS A 105 -16.724 -0.747 3.432 1.00 0.00 C ATOM 947 CG LYS A 105 -15.513 -0.461 4.328 1.00 0.00 C ATOM 948 CD LYS A 105 -15.983 -0.201 5.755 1.00 0.00 C ATOM 949 CE LYS A 105 -14.968 -0.771 6.742 1.00 0.00 C ATOM 950 NZ LYS A 105 -15.521 -0.937 8.097 1.00 0.00 N ATOM 0 H LYS A 105 -14.659 -2.050 2.294 1.00 0.00 H new ATOM 0 HA LYS A 105 -17.230 -0.985 1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -17.455 0.053 3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -17.204 -1.669 3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.826 -1.307 4.309 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.965 0.403 3.952 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -16.103 0.870 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -16.959 -0.659 5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.616 -1.736 6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.101 -0.111 6.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.003 -1.690 8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.424 -0.045 8.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.527 -1.194 8.032 1.00 0.00 H new ATOM 964 N ALA A 106 -14.394 0.390 1.192 1.00 0.00 N ATOM 965 CA ALA A 106 -13.663 1.556 0.729 1.00 0.00 C ATOM 966 C ALA A 106 -14.170 2.038 -0.642 1.00 0.00 C ATOM 967 O ALA A 106 -14.929 1.343 -1.322 1.00 0.00 O ATOM 968 CB ALA A 106 -12.179 1.186 0.620 1.00 0.00 C ATOM 0 H ALA A 106 -13.815 -0.444 1.290 1.00 0.00 H new ATOM 0 HA ALA A 106 -13.813 2.367 1.442 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.613 2.051 0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -11.808 0.878 1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -12.060 0.366 -0.088 1.00 0.00 H new ATOM 974 N GLN A 107 -13.711 3.214 -1.074 1.00 0.00 N ATOM 975 CA GLN A 107 -14.070 3.813 -2.356 1.00 0.00 C ATOM 976 C GLN A 107 -12.802 3.855 -3.211 1.00 0.00 C ATOM 977 O GLN A 107 -11.793 4.429 -2.793 1.00 0.00 O ATOM 978 CB GLN A 107 -14.785 5.165 -2.140 1.00 0.00 C ATOM 979 CG GLN A 107 -13.948 6.334 -1.583 1.00 0.00 C ATOM 980 CD GLN A 107 -13.518 7.335 -2.663 1.00 0.00 C ATOM 981 OE1 GLN A 107 -14.076 8.422 -2.794 1.00 0.00 O ATOM 982 NE2 GLN A 107 -12.516 7.028 -3.466 1.00 0.00 N ATOM 0 H GLN A 107 -13.066 3.787 -0.529 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.803 3.223 -2.906 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -15.206 5.479 -3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -15.622 4.998 -1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.527 6.857 -0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.060 5.936 -1.091 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.042 6.130 -3.370 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.215 7.689 -4.182 1.00 0.00 H new