USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 735 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 71 SER OG : rot -136:sc= -0.718! USER MOD Set 1.2: A 88 ASN :FLIP amide:sc= -1.58 F(o=-3.2!,f=-2.3) USER MOD Set 2.1: A 26 GLN :FLIP amide:sc= -2.32 F(o=-5.4!,f=-4.2) USER MOD Set 2.2: A 63 GLN :FLIP amide:sc= -1.9 F(o=-13!,f=-4.2) USER MOD Single : A 4 GLN : amide:sc= -1.36! C(o=-1.4!,f=-2.7!) USER MOD Single : A 6 THR OG1 : rot -170:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= -0.0206 (180deg=-0.281) USER MOD Single : A 14 ASN : amide:sc= -0.749 K(o=-0.75,f=-2.9!) USER MOD Single : A 16 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.799 K(o=-0.8,f=-8.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.875) USER MOD Single : A 34 SER OG : rot -113:sc= 1.09 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -3.48! C(o=-3.5!,f=-3.7!) USER MOD Single : A 45 THR OG1 : rot -92:sc= 0.12 USER MOD Single : A 49 LYS NZ :NH3+ 164:sc= -3.48! (180deg=-4.72!) USER MOD Single : A 51 THR OG1 : rot 142:sc= -0.357 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -90:sc= -0.899 USER MOD Single : A 67 TYR OH : rot 68:sc= 1.31 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -10.7! C(o=-11!,f=-25!) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.0371 F(o=-1.1,f=-0.037) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 86 ASN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -164:sc=-0.00525 (180deg=-0.308) USER MOD Single : A 89 SER OG : rot 102:sc= 1.11 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -22:sc= 0.387 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -11.547 4.860 -9.017 1.00 0.00 N ATOM 36 CA PRO A 3 -10.887 4.238 -7.830 1.00 0.00 C ATOM 37 C PRO A 3 -11.251 4.936 -6.514 1.00 0.00 C ATOM 38 O PRO A 3 -11.444 6.137 -6.456 1.00 0.00 O ATOM 39 CB PRO A 3 -9.385 4.380 -8.138 1.00 0.00 C ATOM 40 CG PRO A 3 -9.320 4.502 -9.621 1.00 0.00 C ATOM 41 CD PRO A 3 -10.551 5.303 -10.006 1.00 0.00 C ATOM 0 HA PRO A 3 -11.204 3.206 -7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.960 5.256 -7.648 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.824 3.515 -7.786 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.407 5.007 -9.935 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.322 3.522 -10.098 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.371 6.376 -9.946 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.870 5.090 -11.026 1.00 0.00 H new ATOM 49 N GLN A 4 -11.350 4.178 -5.454 1.00 0.00 N ATOM 50 CA GLN A 4 -11.703 4.766 -4.132 1.00 0.00 C ATOM 51 C GLN A 4 -10.418 5.181 -3.409 1.00 0.00 C ATOM 52 O GLN A 4 -10.017 4.591 -2.420 1.00 0.00 O ATOM 53 CB GLN A 4 -12.458 3.714 -3.311 1.00 0.00 C ATOM 54 CG GLN A 4 -13.888 3.569 -3.851 1.00 0.00 C ATOM 55 CD GLN A 4 -13.863 2.922 -5.240 1.00 0.00 C ATOM 56 OE1 GLN A 4 -13.125 1.984 -5.476 1.00 0.00 O ATOM 57 NE2 GLN A 4 -14.641 3.391 -6.180 1.00 0.00 N ATOM 0 H GLN A 4 -11.200 3.169 -5.449 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.336 5.644 -4.262 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -11.940 2.756 -3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.483 4.006 -2.261 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -14.483 2.962 -3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -14.366 4.547 -3.905 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -15.260 4.177 -5.984 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.629 2.971 -7.109 1.00 0.00 H new ATOM 66 N LEU A 5 -9.764 6.199 -3.913 1.00 0.00 N ATOM 67 CA LEU A 5 -8.494 6.675 -3.292 1.00 0.00 C ATOM 68 C LEU A 5 -8.763 7.237 -1.897 1.00 0.00 C ATOM 69 O LEU A 5 -9.745 7.917 -1.661 1.00 0.00 O ATOM 70 CB LEU A 5 -7.889 7.777 -4.165 1.00 0.00 C ATOM 71 CG LEU A 5 -7.709 7.259 -5.595 1.00 0.00 C ATOM 72 CD1 LEU A 5 -7.134 8.376 -6.470 1.00 0.00 C ATOM 73 CD2 LEU A 5 -6.754 6.055 -5.596 1.00 0.00 C ATOM 0 H LEU A 5 -10.061 6.724 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.804 5.835 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.538 8.653 -4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.928 8.091 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.675 6.947 -5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.005 8.010 -7.489 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.818 9.224 -6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.169 8.690 -6.072 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.629 5.690 -6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.786 6.358 -5.198 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.169 5.261 -4.975 1.00 0.00 H new ATOM 85 N THR A 6 -7.883 6.950 -0.971 1.00 0.00 N ATOM 86 CA THR A 6 -8.045 7.448 0.427 1.00 0.00 C ATOM 87 C THR A 6 -6.755 8.131 0.880 1.00 0.00 C ATOM 88 O THR A 6 -5.665 7.610 0.717 1.00 0.00 O ATOM 89 CB THR A 6 -8.359 6.273 1.348 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.556 5.647 0.912 1.00 0.00 O ATOM 91 CG2 THR A 6 -8.538 6.784 2.776 1.00 0.00 C ATOM 0 H THR A 6 -7.049 6.384 -1.128 1.00 0.00 H new ATOM 0 HA THR A 6 -8.863 8.167 0.467 1.00 0.00 H new ATOM 0 HB THR A 6 -7.541 5.553 1.322 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.848 4.996 1.584 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.763 5.947 3.437 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.620 7.271 3.106 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.359 7.500 2.806 1.00 0.00 H new ATOM 99 N LYS A 7 -6.873 9.301 1.447 1.00 0.00 N ATOM 100 CA LYS A 7 -5.668 10.039 1.913 1.00 0.00 C ATOM 101 C LYS A 7 -5.138 9.413 3.205 1.00 0.00 C ATOM 102 O LYS A 7 -5.884 8.903 4.022 1.00 0.00 O ATOM 103 CB LYS A 7 -6.040 11.502 2.160 1.00 0.00 C ATOM 104 CG LYS A 7 -6.413 12.163 0.831 1.00 0.00 C ATOM 105 CD LYS A 7 -6.804 13.624 1.076 1.00 0.00 C ATOM 106 CE LYS A 7 -7.251 14.264 -0.240 1.00 0.00 C ATOM 107 NZ LYS A 7 -6.086 14.367 -1.165 1.00 0.00 N ATOM 0 H LYS A 7 -7.760 9.779 1.608 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.891 9.982 1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.876 11.563 2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.203 12.029 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.572 12.112 0.139 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.241 11.627 0.366 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.608 13.677 1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.958 14.173 1.490 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.040 13.667 -0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.668 15.253 -0.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.323 15.005 -1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.265 14.744 -0.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.856 13.425 -1.540 1.00 0.00 H new ATOM 121 N ILE A 8 -3.848 9.443 3.385 1.00 0.00 N ATOM 122 CA ILE A 8 -3.236 8.850 4.608 1.00 0.00 C ATOM 123 C ILE A 8 -3.702 9.604 5.860 1.00 0.00 C ATOM 124 O ILE A 8 -4.020 9.011 6.875 1.00 0.00 O ATOM 125 CB ILE A 8 -1.714 8.931 4.483 1.00 0.00 C ATOM 126 CG1 ILE A 8 -1.257 8.004 3.353 1.00 0.00 C ATOM 127 CG2 ILE A 8 -1.063 8.495 5.797 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.221 8.250 3.040 1.00 0.00 C ATOM 0 H ILE A 8 -3.184 9.857 2.731 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.546 7.809 4.703 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.419 9.957 4.263 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.408 6.964 3.641 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.860 8.179 2.462 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.021 8.554 5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.394 9.151 6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.352 7.469 6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.538 7.587 2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.360 9.286 2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 8 0.819 8.053 3.930 1.00 0.00 H new ATOM 140 N VAL A 9 -3.737 10.907 5.801 1.00 0.00 N ATOM 141 CA VAL A 9 -4.177 11.701 6.988 1.00 0.00 C ATOM 142 C VAL A 9 -5.628 11.350 7.330 1.00 0.00 C ATOM 143 O VAL A 9 -6.079 11.526 8.448 1.00 0.00 O ATOM 144 CB VAL A 9 -4.061 13.195 6.668 1.00 0.00 C ATOM 145 CG1 VAL A 9 -5.043 13.571 5.555 1.00 0.00 C ATOM 146 CG2 VAL A 9 -4.375 14.014 7.921 1.00 0.00 C ATOM 0 H VAL A 9 -3.480 11.458 4.982 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.544 11.466 7.843 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.045 13.409 6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.953 14.635 5.335 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.815 12.994 4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.061 13.352 5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.292 15.076 7.692 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.389 13.793 8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.668 13.757 8.710 1.00 0.00 H new ATOM 156 N ASP A 10 -6.361 10.850 6.375 1.00 0.00 N ATOM 157 CA ASP A 10 -7.782 10.479 6.629 1.00 0.00 C ATOM 158 C ASP A 10 -7.838 9.160 7.413 1.00 0.00 C ATOM 159 O ASP A 10 -8.892 8.711 7.827 1.00 0.00 O ATOM 160 CB ASP A 10 -8.489 10.312 5.280 1.00 0.00 C ATOM 161 CG ASP A 10 -9.995 10.138 5.491 1.00 0.00 C ATOM 162 OD1 ASP A 10 -10.453 10.389 6.592 1.00 0.00 O ATOM 163 OD2 ASP A 10 -10.663 9.762 4.541 1.00 0.00 O ATOM 0 H ASP A 10 -6.035 10.681 5.423 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.274 11.256 7.213 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.301 11.183 4.652 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.086 9.447 4.754 1.00 0.00 H new ATOM 168 N ILE A 11 -6.708 8.532 7.622 1.00 0.00 N ATOM 169 CA ILE A 11 -6.694 7.242 8.374 1.00 0.00 C ATOM 170 C ILE A 11 -6.707 7.508 9.882 1.00 0.00 C ATOM 171 O ILE A 11 -5.814 8.126 10.432 1.00 0.00 O ATOM 172 CB ILE A 11 -5.439 6.444 8.003 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.511 6.060 6.522 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.359 5.174 8.856 1.00 0.00 C ATOM 175 CD1 ILE A 11 -4.165 5.492 6.064 1.00 0.00 C ATOM 0 H ILE A 11 -5.795 8.858 7.304 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.582 6.669 8.109 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.553 7.053 8.186 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.298 5.322 6.367 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.770 6.933 5.923 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.465 4.611 8.588 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.314 5.446 9.910 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.242 4.560 8.678 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.224 5.221 5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.387 6.243 6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.924 4.607 6.653 1.00 0.00 H new ATOM 187 N VAL A 12 -7.724 7.031 10.551 1.00 0.00 N ATOM 188 CA VAL A 12 -7.833 7.225 12.024 1.00 0.00 C ATOM 189 C VAL A 12 -8.616 6.050 12.614 1.00 0.00 C ATOM 190 O VAL A 12 -9.071 6.094 13.743 1.00 0.00 O ATOM 191 CB VAL A 12 -8.564 8.543 12.322 1.00 0.00 C ATOM 192 CG1 VAL A 12 -7.608 9.721 12.117 1.00 0.00 C ATOM 193 CG2 VAL A 12 -9.763 8.693 11.376 1.00 0.00 C ATOM 0 H VAL A 12 -8.493 6.508 10.132 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.839 7.269 12.469 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.913 8.533 13.355 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.130 10.654 12.329 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.757 9.620 12.790 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.256 9.729 11.085 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.280 9.629 11.589 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.413 8.699 10.344 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.448 7.858 11.522 1.00 0.00 H new ATOM 203 N GLU A 13 -8.780 4.995 11.851 1.00 0.00 N ATOM 204 CA GLU A 13 -9.537 3.802 12.350 1.00 0.00 C ATOM 205 C GLU A 13 -8.821 2.516 11.934 1.00 0.00 C ATOM 206 O GLU A 13 -8.231 2.432 10.873 1.00 0.00 O ATOM 207 CB GLU A 13 -10.953 3.809 11.767 1.00 0.00 C ATOM 208 CG GLU A 13 -11.757 4.938 12.411 1.00 0.00 C ATOM 209 CD GLU A 13 -13.144 5.016 11.770 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.407 4.230 10.874 1.00 0.00 O ATOM 211 OE2 GLU A 13 -13.921 5.859 12.188 1.00 0.00 O ATOM 0 H GLU A 13 -8.421 4.909 10.900 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.591 3.846 13.438 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.913 3.945 10.686 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.439 2.851 11.950 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.851 4.765 13.483 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.234 5.886 12.286 1.00 0.00 H new ATOM 218 N ASN A 14 -8.871 1.514 12.771 1.00 0.00 N ATOM 219 CA ASN A 14 -8.203 0.228 12.457 1.00 0.00 C ATOM 220 C ASN A 14 -9.096 -0.634 11.558 1.00 0.00 C ATOM 221 O ASN A 14 -10.308 -0.650 11.686 1.00 0.00 O ATOM 222 CB ASN A 14 -7.930 -0.518 13.762 1.00 0.00 C ATOM 223 CG ASN A 14 -6.752 0.130 14.492 1.00 0.00 C ATOM 224 OD1 ASN A 14 -5.999 0.885 13.908 1.00 0.00 O ATOM 225 ND2 ASN A 14 -6.555 -0.138 15.755 1.00 0.00 N ATOM 0 H ASN A 14 -9.354 1.537 13.669 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.269 0.429 11.933 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.817 -0.499 14.395 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.709 -1.565 13.554 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.770 0.286 16.250 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.186 -0.771 16.246 1.00 0.00 H new ATOM 232 N GLY A 15 -8.490 -1.359 10.660 1.00 0.00 N ATOM 233 CA GLY A 15 -9.264 -2.248 9.747 1.00 0.00 C ATOM 234 C GLY A 15 -10.145 -1.422 8.811 1.00 0.00 C ATOM 235 O GLY A 15 -11.118 -0.815 9.220 1.00 0.00 O ATOM 0 H GLY A 15 -7.480 -1.374 10.518 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.579 -2.863 9.163 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.883 -2.928 10.332 1.00 0.00 H new ATOM 239 N GLN A 16 -9.820 -1.409 7.549 1.00 0.00 N ATOM 240 CA GLN A 16 -10.640 -0.642 6.577 1.00 0.00 C ATOM 241 C GLN A 16 -10.211 -0.998 5.155 1.00 0.00 C ATOM 242 O GLN A 16 -9.039 -0.986 4.819 1.00 0.00 O ATOM 243 CB GLN A 16 -10.465 0.861 6.810 1.00 0.00 C ATOM 244 CG GLN A 16 -11.418 1.626 5.888 1.00 0.00 C ATOM 245 CD GLN A 16 -11.262 3.129 6.119 1.00 0.00 C ATOM 246 OE1 GLN A 16 -10.374 3.557 6.974 1.00 0.00 O flip ATOM 247 NE2 GLN A 16 -11.954 3.923 5.513 1.00 0.00 N flip ATOM 0 H GLN A 16 -9.019 -1.899 7.150 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.690 -0.899 6.715 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -10.672 1.106 7.852 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.434 1.155 6.612 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.205 1.384 4.847 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.447 1.323 6.081 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -12.648 3.588 4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.841 4.924 5.673 1.00 0.00 H new ATOM 256 N TRP A 17 -11.162 -1.319 4.317 1.00 0.00 N ATOM 257 CA TRP A 17 -10.843 -1.689 2.909 1.00 0.00 C ATOM 258 C TRP A 17 -10.946 -0.459 2.013 1.00 0.00 C ATOM 259 O TRP A 17 -11.927 0.262 2.035 1.00 0.00 O ATOM 260 CB TRP A 17 -11.836 -2.747 2.432 1.00 0.00 C ATOM 261 CG TRP A 17 -11.577 -4.028 3.155 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.295 -4.490 4.204 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.537 -5.015 2.902 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.763 -5.701 4.609 1.00 0.00 N ATOM 265 CE2 TRP A 17 -10.678 -6.067 3.838 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.497 -5.100 1.960 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -9.817 -7.165 3.838 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.627 -6.202 1.958 1.00 0.00 C ATOM 269 CH2 TRP A 17 -8.787 -7.233 2.895 1.00 0.00 C ATOM 0 H TRP A 17 -12.154 -1.340 4.552 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.828 -2.083 2.860 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.857 -2.413 2.615 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.737 -2.896 1.357 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -13.144 -3.995 4.652 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -12.128 -6.256 5.383 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.366 -4.312 1.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -9.945 -7.957 4.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -7.830 -6.256 1.231 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.115 -8.079 2.888 1.00 0.00 H new ATOM 280 N ALA A 18 -9.939 -0.216 1.222 1.00 0.00 N ATOM 281 CA ALA A 18 -9.973 0.965 0.315 1.00 0.00 C ATOM 282 C ALA A 18 -8.734 0.964 -0.578 1.00 0.00 C ATOM 283 O ALA A 18 -7.821 0.176 -0.396 1.00 0.00 O ATOM 284 CB ALA A 18 -10.002 2.255 1.137 1.00 0.00 C ATOM 0 H ALA A 18 -9.094 -0.784 1.164 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.869 0.910 -0.303 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.027 3.114 0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.889 2.263 1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.110 2.308 1.762 1.00 0.00 H new ATOM 290 N ASN A 19 -8.698 1.844 -1.550 1.00 0.00 N ATOM 291 CA ASN A 19 -7.528 1.910 -2.477 1.00 0.00 C ATOM 292 C ASN A 19 -6.649 3.105 -2.107 1.00 0.00 C ATOM 293 O ASN A 19 -7.134 4.149 -1.712 1.00 0.00 O ATOM 294 CB ASN A 19 -8.030 2.083 -3.910 1.00 0.00 C ATOM 295 CG ASN A 19 -8.882 0.875 -4.309 1.00 0.00 C ATOM 296 OD1 ASN A 19 -8.927 -0.116 -3.607 1.00 0.00 O ATOM 297 ND2 ASN A 19 -9.571 0.918 -5.417 1.00 0.00 N ATOM 0 H ASN A 19 -9.435 2.523 -1.741 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.948 0.991 -2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.618 2.997 -3.992 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.185 2.185 -4.591 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.145 0.121 -5.692 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.535 1.749 -6.008 1.00 0.00 H new ATOM 304 N LEU A 20 -5.353 2.958 -2.228 1.00 0.00 N ATOM 305 CA LEU A 20 -4.427 4.076 -1.884 1.00 0.00 C ATOM 306 C LEU A 20 -3.312 4.165 -2.918 1.00 0.00 C ATOM 307 O LEU A 20 -2.852 3.167 -3.444 1.00 0.00 O ATOM 308 CB LEU A 20 -3.812 3.825 -0.508 1.00 0.00 C ATOM 309 CG LEU A 20 -4.923 3.795 0.570 1.00 0.00 C ATOM 310 CD1 LEU A 20 -5.381 2.351 0.816 1.00 0.00 C ATOM 311 CD2 LEU A 20 -4.392 4.388 1.881 1.00 0.00 C ATOM 0 H LEU A 20 -4.896 2.106 -2.552 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.988 5.010 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.270 2.879 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.089 4.607 -0.275 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.769 4.386 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.162 2.342 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.771 1.930 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.535 1.754 1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.178 4.364 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.540 3.803 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.080 5.419 1.714 1.00 0.00 H new ATOM 323 N LYS A 21 -2.867 5.362 -3.204 1.00 0.00 N ATOM 324 CA LYS A 21 -1.771 5.557 -4.200 1.00 0.00 C ATOM 325 C LYS A 21 -0.579 6.231 -3.528 1.00 0.00 C ATOM 326 O LYS A 21 -0.725 7.174 -2.771 1.00 0.00 O ATOM 327 CB LYS A 21 -2.263 6.445 -5.340 1.00 0.00 C ATOM 328 CG LYS A 21 -1.253 6.389 -6.492 1.00 0.00 C ATOM 329 CD LYS A 21 -1.498 7.550 -7.455 1.00 0.00 C ATOM 330 CE LYS A 21 -2.880 7.412 -8.087 1.00 0.00 C ATOM 331 NZ LYS A 21 -2.990 8.342 -9.246 1.00 0.00 N ATOM 0 H LYS A 21 -3.221 6.222 -2.785 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.472 4.585 -4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.242 6.110 -5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.381 7.472 -4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.237 6.439 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.344 5.441 -7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.424 8.498 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.732 7.559 -8.231 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.041 6.385 -8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.652 7.637 -7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.932 8.249 -9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.854 9.320 -8.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.262 8.107 -9.950 1.00 0.00 H new ATOM 345 N ALA A 22 0.604 5.753 -3.802 1.00 0.00 N ATOM 346 CA ALA A 22 1.812 6.368 -3.184 1.00 0.00 C ATOM 347 C ALA A 22 3.067 5.879 -3.903 1.00 0.00 C ATOM 348 O ALA A 22 3.031 4.932 -4.667 1.00 0.00 O ATOM 349 CB ALA A 22 1.897 5.978 -1.709 1.00 0.00 C ATOM 0 H ALA A 22 0.786 4.966 -4.425 1.00 0.00 H new ATOM 0 HA ALA A 22 1.739 7.452 -3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.783 6.431 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.007 6.331 -1.187 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.962 4.893 -1.623 1.00 0.00 H new ATOM 355 N LYS A 23 4.180 6.523 -3.656 1.00 0.00 N ATOM 356 CA LYS A 23 5.458 6.119 -4.311 1.00 0.00 C ATOM 357 C LYS A 23 6.352 5.400 -3.309 1.00 0.00 C ATOM 358 O LYS A 23 6.416 5.746 -2.144 1.00 0.00 O ATOM 359 CB LYS A 23 6.173 7.364 -4.834 1.00 0.00 C ATOM 360 CG LYS A 23 7.437 6.948 -5.595 1.00 0.00 C ATOM 361 CD LYS A 23 8.173 8.190 -6.110 1.00 0.00 C ATOM 362 CE LYS A 23 7.447 8.771 -7.330 1.00 0.00 C ATOM 363 NZ LYS A 23 8.324 9.770 -7.999 1.00 0.00 N ATOM 0 H LYS A 23 4.257 7.319 -3.022 1.00 0.00 H new ATOM 0 HA LYS A 23 5.240 5.445 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.510 7.928 -5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.435 8.021 -4.005 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.092 6.372 -4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.172 6.300 -6.430 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.231 8.940 -5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.197 7.929 -6.378 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.189 7.974 -8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.513 9.240 -7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.826 10.681 -8.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.197 9.891 -7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.563 9.437 -8.955 1.00 0.00 H new ATOM 377 N VAL A 24 7.042 4.389 -3.764 1.00 0.00 N ATOM 378 CA VAL A 24 7.936 3.624 -2.856 1.00 0.00 C ATOM 379 C VAL A 24 9.267 4.355 -2.683 1.00 0.00 C ATOM 380 O VAL A 24 9.940 4.697 -3.638 1.00 0.00 O ATOM 381 CB VAL A 24 8.174 2.231 -3.450 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.265 1.504 -2.657 1.00 0.00 C ATOM 383 CG2 VAL A 24 6.869 1.423 -3.389 1.00 0.00 C ATOM 0 H VAL A 24 7.023 4.061 -4.730 1.00 0.00 H new ATOM 0 HA VAL A 24 7.466 3.531 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 24 8.495 2.332 -4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.428 0.515 -3.085 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.191 2.077 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.953 1.402 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.035 0.432 -3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.549 1.327 -2.352 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.096 1.936 -3.961 1.00 0.00 H new ATOM 393 N ILE A 25 9.652 4.585 -1.455 1.00 0.00 N ATOM 394 CA ILE A 25 10.939 5.278 -1.176 1.00 0.00 C ATOM 395 C ILE A 25 12.019 4.237 -0.873 1.00 0.00 C ATOM 396 O ILE A 25 12.966 4.070 -1.619 1.00 0.00 O ATOM 397 CB ILE A 25 10.766 6.191 0.039 1.00 0.00 C ATOM 398 CG1 ILE A 25 9.768 7.305 -0.297 1.00 0.00 C ATOM 399 CG2 ILE A 25 12.118 6.804 0.422 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.376 8.053 0.982 1.00 0.00 C ATOM 0 H ILE A 25 9.121 4.318 -0.626 1.00 0.00 H new ATOM 0 HA ILE A 25 11.232 5.870 -2.043 1.00 0.00 H new ATOM 0 HB ILE A 25 10.388 5.608 0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.210 7.998 -1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.881 6.881 -0.768 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.991 7.454 1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.822 6.009 0.666 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.504 7.386 -0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.667 8.844 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.917 7.357 1.684 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.266 8.491 1.435 1.00 0.00 H new ATOM 412 N GLN A 26 11.884 3.532 0.225 1.00 0.00 N ATOM 413 CA GLN A 26 12.906 2.500 0.586 1.00 0.00 C ATOM 414 C GLN A 26 12.237 1.295 1.249 1.00 0.00 C ATOM 415 O GLN A 26 11.278 1.419 1.994 1.00 0.00 O ATOM 416 CB GLN A 26 13.937 3.106 1.547 1.00 0.00 C ATOM 417 CG GLN A 26 14.915 3.994 0.771 1.00 0.00 C ATOM 418 CD GLN A 26 15.787 3.124 -0.134 1.00 0.00 C ATOM 419 OE1 GLN A 26 15.883 3.418 -1.402 1.00 0.00 O flip ATOM 420 NE2 GLN A 26 16.383 2.163 0.314 1.00 0.00 N flip ATOM 0 H GLN A 26 11.112 3.627 0.885 1.00 0.00 H new ATOM 0 HA GLN A 26 13.405 2.170 -0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.431 3.692 2.315 1.00 0.00 H new ATOM 0 HB3 GLN A 26 14.481 2.312 2.059 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.366 4.722 0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.540 4.557 1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 26 16.308 1.933 1.305 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.958 1.587 -0.301 1.00 0.00 H new ATOM 429 N LEU A 27 12.751 0.124 0.966 1.00 0.00 N ATOM 430 CA LEU A 27 12.183 -1.124 1.545 1.00 0.00 C ATOM 431 C LEU A 27 13.325 -2.090 1.852 1.00 0.00 C ATOM 432 O LEU A 27 14.262 -2.220 1.086 1.00 0.00 O ATOM 433 CB LEU A 27 11.195 -1.769 0.541 1.00 0.00 C ATOM 434 CG LEU A 27 11.504 -1.300 -0.891 1.00 0.00 C ATOM 435 CD1 LEU A 27 12.886 -1.812 -1.326 1.00 0.00 C ATOM 436 CD2 LEU A 27 10.434 -1.848 -1.836 1.00 0.00 C ATOM 0 H LEU A 27 13.551 -0.018 0.349 1.00 0.00 H new ATOM 0 HA LEU A 27 11.643 -0.893 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 27 11.266 -2.855 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.172 -1.502 0.805 1.00 0.00 H new ATOM 0 HG LEU A 27 11.505 -0.210 -0.924 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.096 -1.475 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.647 -1.423 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.896 -2.902 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.645 -1.520 -2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.438 -2.937 -1.797 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.455 -1.478 -1.531 1.00 0.00 H new ATOM 448 N TRP A 28 13.250 -2.771 2.968 1.00 0.00 N ATOM 449 CA TRP A 28 14.320 -3.742 3.347 1.00 0.00 C ATOM 450 C TRP A 28 13.752 -5.160 3.366 1.00 0.00 C ATOM 451 O TRP A 28 12.580 -5.381 3.633 1.00 0.00 O ATOM 452 CB TRP A 28 14.867 -3.394 4.730 1.00 0.00 C ATOM 453 CG TRP A 28 15.200 -1.938 4.785 1.00 0.00 C ATOM 454 CD1 TRP A 28 16.025 -1.295 3.927 1.00 0.00 C ATOM 455 CD2 TRP A 28 14.734 -0.934 5.734 1.00 0.00 C ATOM 456 NE1 TRP A 28 16.099 0.037 4.291 1.00 0.00 N ATOM 457 CE2 TRP A 28 15.321 0.309 5.398 1.00 0.00 C ATOM 458 CE3 TRP A 28 13.871 -0.983 6.843 1.00 0.00 C ATOM 459 CZ2 TRP A 28 15.059 1.464 6.138 1.00 0.00 C ATOM 460 CZ3 TRP A 28 13.606 0.177 7.589 1.00 0.00 C ATOM 461 CH2 TRP A 28 14.199 1.397 7.237 1.00 0.00 C ATOM 0 H TRP A 28 12.485 -2.694 3.639 1.00 0.00 H new ATOM 0 HA TRP A 28 15.125 -3.686 2.614 1.00 0.00 H new ATOM 0 HB2 TRP A 28 14.131 -3.638 5.496 1.00 0.00 H new ATOM 0 HB3 TRP A 28 15.756 -3.989 4.941 1.00 0.00 H new ATOM 0 HD1 TRP A 28 16.542 -1.748 3.094 1.00 0.00 H new ATOM 0 HE1 TRP A 28 16.660 0.734 3.801 1.00 0.00 H new ATOM 0 HE3 TRP A 28 13.409 -1.918 7.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 15.518 2.402 5.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 12.941 0.129 8.439 1.00 0.00 H new ATOM 0 HH2 TRP A 28 13.991 2.285 7.815 1.00 0.00 H new ATOM 472 N GLU A 29 14.589 -6.119 3.076 1.00 0.00 N ATOM 473 CA GLU A 29 14.151 -7.538 3.062 1.00 0.00 C ATOM 474 C GLU A 29 13.716 -7.965 4.461 1.00 0.00 C ATOM 475 O GLU A 29 14.349 -7.640 5.450 1.00 0.00 O ATOM 476 CB GLU A 29 15.314 -8.416 2.595 1.00 0.00 C ATOM 477 CG GLU A 29 16.551 -8.131 3.453 1.00 0.00 C ATOM 478 CD GLU A 29 17.728 -8.973 2.953 1.00 0.00 C ATOM 479 OE1 GLU A 29 17.491 -10.088 2.518 1.00 0.00 O ATOM 480 OE2 GLU A 29 18.846 -8.487 3.010 1.00 0.00 O ATOM 0 H GLU A 29 15.572 -5.974 2.845 1.00 0.00 H new ATOM 0 HA GLU A 29 13.307 -7.650 2.381 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.041 -9.469 2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.533 -8.218 1.546 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.803 -7.072 3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.343 -8.363 4.498 1.00 0.00 H new ATOM 547 N SER A 34 5.669 -14.964 6.840 1.00 0.00 N ATOM 548 CA SER A 34 4.469 -14.572 6.043 1.00 0.00 C ATOM 549 C SER A 34 4.637 -13.150 5.497 1.00 0.00 C ATOM 550 O SER A 34 3.762 -12.622 4.836 1.00 0.00 O ATOM 551 CB SER A 34 3.217 -14.647 6.922 1.00 0.00 C ATOM 552 OG SER A 34 2.135 -14.011 6.257 1.00 0.00 O ATOM 0 HA SER A 34 4.362 -15.260 5.204 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.968 -15.687 7.132 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.403 -14.164 7.881 1.00 0.00 H new ATOM 0 HG SER A 34 1.883 -13.200 6.745 1.00 0.00 H new ATOM 558 N ILE A 35 5.763 -12.532 5.759 1.00 0.00 N ATOM 559 CA ILE A 35 6.013 -11.149 5.252 1.00 0.00 C ATOM 560 C ILE A 35 7.181 -11.168 4.265 1.00 0.00 C ATOM 561 O ILE A 35 8.241 -11.706 4.534 1.00 0.00 O ATOM 562 CB ILE A 35 6.339 -10.222 6.424 1.00 0.00 C ATOM 563 CG1 ILE A 35 5.103 -10.095 7.320 1.00 0.00 C ATOM 564 CG2 ILE A 35 6.725 -8.839 5.889 1.00 0.00 C ATOM 565 CD1 ILE A 35 5.477 -9.378 8.618 1.00 0.00 C ATOM 0 H ILE A 35 6.525 -12.931 6.307 1.00 0.00 H new ATOM 0 HA ILE A 35 5.120 -10.783 4.745 1.00 0.00 H new ATOM 0 HB ILE A 35 7.170 -10.632 6.998 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.321 -9.542 6.800 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.700 -11.083 7.542 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.957 -8.178 6.724 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.599 -8.929 5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.894 -8.425 5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.595 -9.290 9.252 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.244 -9.949 9.141 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.859 -8.383 8.387 1.00 0.00 H new ATOM 577 N SER A 36 6.982 -10.577 3.122 1.00 0.00 N ATOM 578 CA SER A 36 8.051 -10.534 2.088 1.00 0.00 C ATOM 579 C SER A 36 8.993 -9.367 2.375 1.00 0.00 C ATOM 580 O SER A 36 10.144 -9.550 2.729 1.00 0.00 O ATOM 581 CB SER A 36 7.411 -10.326 0.717 1.00 0.00 C ATOM 582 OG SER A 36 8.425 -10.323 -0.280 1.00 0.00 O ATOM 0 H SER A 36 6.112 -10.116 2.857 1.00 0.00 H new ATOM 0 HA SER A 36 8.610 -11.470 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.690 -11.118 0.516 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.863 -9.384 0.698 1.00 0.00 H new ATOM 0 HG SER A 36 8.017 -10.191 -1.161 1.00 0.00 H new ATOM 588 N GLN A 37 8.513 -8.159 2.211 1.00 0.00 N ATOM 589 CA GLN A 37 9.376 -6.965 2.456 1.00 0.00 C ATOM 590 C GLN A 37 8.590 -5.900 3.215 1.00 0.00 C ATOM 591 O GLN A 37 7.373 -5.906 3.246 1.00 0.00 O ATOM 592 CB GLN A 37 9.841 -6.389 1.118 1.00 0.00 C ATOM 593 CG GLN A 37 10.670 -7.438 0.375 1.00 0.00 C ATOM 594 CD GLN A 37 11.244 -6.837 -0.910 1.00 0.00 C ATOM 595 OE1 GLN A 37 11.969 -7.499 -1.629 1.00 0.00 O ATOM 596 NE2 GLN A 37 10.953 -5.607 -1.236 1.00 0.00 N ATOM 0 H GLN A 37 7.559 -7.949 1.917 1.00 0.00 H new ATOM 0 HA GLN A 37 10.240 -7.266 3.049 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.980 -6.097 0.516 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.435 -5.490 1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.479 -7.793 1.013 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.050 -8.302 0.137 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.346 -5.050 -0.635 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.333 -5.203 -2.092 1.00 0.00 H new ATOM 605 N VAL A 38 9.287 -4.982 3.830 1.00 0.00 N ATOM 606 CA VAL A 38 8.607 -3.901 4.599 1.00 0.00 C ATOM 607 C VAL A 38 9.338 -2.582 4.363 1.00 0.00 C ATOM 608 O VAL A 38 10.549 -2.542 4.246 1.00 0.00 O ATOM 609 CB VAL A 38 8.612 -4.241 6.094 1.00 0.00 C ATOM 610 CG1 VAL A 38 10.034 -4.579 6.556 1.00 0.00 C ATOM 611 CG2 VAL A 38 8.091 -3.043 6.891 1.00 0.00 C ATOM 0 H VAL A 38 10.306 -4.935 3.832 1.00 0.00 H new ATOM 0 HA VAL A 38 7.574 -3.810 4.264 1.00 0.00 H new ATOM 0 HB VAL A 38 7.969 -5.105 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.024 -4.819 7.619 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.405 -5.436 5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.686 -3.723 6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.094 -3.284 7.954 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.733 -2.180 6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.074 -2.810 6.575 1.00 0.00 H new ATOM 621 N GLY A 39 8.610 -1.502 4.286 1.00 0.00 N ATOM 622 CA GLY A 39 9.262 -0.188 4.049 1.00 0.00 C ATOM 623 C GLY A 39 8.262 0.937 4.270 1.00 0.00 C ATOM 624 O GLY A 39 7.321 0.812 5.031 1.00 0.00 O ATOM 0 H GLY A 39 7.594 -1.475 4.377 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.111 -0.068 4.721 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.652 -0.144 3.032 1.00 0.00 H new ATOM 628 N LEU A 40 8.470 2.046 3.604 1.00 0.00 N ATOM 629 CA LEU A 40 7.550 3.211 3.756 1.00 0.00 C ATOM 630 C LEU A 40 7.179 3.761 2.384 1.00 0.00 C ATOM 631 O LEU A 40 7.937 3.666 1.436 1.00 0.00 O ATOM 632 CB LEU A 40 8.244 4.308 4.571 1.00 0.00 C ATOM 633 CG LEU A 40 9.713 4.465 4.104 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.150 5.928 4.247 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.640 3.575 4.954 1.00 0.00 C ATOM 0 H LEU A 40 9.245 2.193 2.957 1.00 0.00 H new ATOM 0 HA LEU A 40 6.646 2.887 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.713 5.252 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.216 4.058 5.632 1.00 0.00 H new ATOM 0 HG LEU A 40 9.781 4.161 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.184 6.033 3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.508 6.561 3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.070 6.231 5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.669 3.694 4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.566 3.868 6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.342 2.532 4.847 1.00 0.00 H new ATOM 647 N LEU A 41 6.008 4.339 2.276 1.00 0.00 N ATOM 648 CA LEU A 41 5.551 4.909 0.976 1.00 0.00 C ATOM 649 C LEU A 41 5.416 6.423 1.102 1.00 0.00 C ATOM 650 O LEU A 41 4.799 6.940 2.020 1.00 0.00 O ATOM 651 CB LEU A 41 4.199 4.303 0.609 1.00 0.00 C ATOM 652 CG LEU A 41 4.308 2.775 0.625 1.00 0.00 C ATOM 653 CD1 LEU A 41 2.948 2.164 0.278 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.359 2.313 -0.398 1.00 0.00 C ATOM 0 H LEU A 41 5.344 4.440 3.043 1.00 0.00 H new ATOM 0 HA LEU A 41 6.278 4.677 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.436 4.632 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.889 4.647 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 41 4.612 2.447 1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.024 1.077 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.208 2.483 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.642 2.496 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.430 1.225 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.065 2.641 -1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.327 2.744 -0.145 1.00 0.00 H new ATOM 666 N GLY A 42 6.005 7.132 0.178 1.00 0.00 N ATOM 667 CA GLY A 42 5.951 8.619 0.202 1.00 0.00 C ATOM 668 C GLY A 42 4.679 9.118 -0.477 1.00 0.00 C ATOM 669 O GLY A 42 4.133 8.474 -1.352 1.00 0.00 O ATOM 0 H GLY A 42 6.528 6.737 -0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.983 8.973 1.232 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.825 9.029 -0.304 1.00 0.00 H new ATOM 673 N ASP A 43 4.214 10.272 -0.081 1.00 0.00 N ATOM 674 CA ASP A 43 2.987 10.838 -0.697 1.00 0.00 C ATOM 675 C ASP A 43 2.752 12.257 -0.171 1.00 0.00 C ATOM 676 O ASP A 43 3.152 12.609 0.924 1.00 0.00 O ATOM 677 CB ASP A 43 1.780 9.952 -0.370 1.00 0.00 C ATOM 678 CG ASP A 43 0.515 10.563 -0.978 1.00 0.00 C ATOM 679 OD1 ASP A 43 0.647 11.391 -1.861 1.00 0.00 O ATOM 680 OD2 ASP A 43 -0.562 10.188 -0.550 1.00 0.00 O ATOM 0 H ASP A 43 4.636 10.848 0.647 1.00 0.00 H new ATOM 0 HA ASP A 43 3.115 10.874 -1.779 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.936 8.948 -0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.667 9.857 0.710 1.00 0.00 H new ATOM 685 N GLU A 44 2.113 13.071 -0.965 1.00 0.00 N ATOM 686 CA GLU A 44 1.834 14.484 -0.575 1.00 0.00 C ATOM 687 C GLU A 44 1.080 14.538 0.760 1.00 0.00 C ATOM 688 O GLU A 44 1.016 15.567 1.408 1.00 0.00 O ATOM 689 CB GLU A 44 0.985 15.128 -1.674 1.00 0.00 C ATOM 690 CG GLU A 44 0.777 16.613 -1.372 1.00 0.00 C ATOM 691 CD GLU A 44 0.025 17.276 -2.531 1.00 0.00 C ATOM 692 OE1 GLU A 44 -0.489 16.555 -3.371 1.00 0.00 O ATOM 693 OE2 GLU A 44 -0.021 18.494 -2.559 1.00 0.00 O ATOM 0 H GLU A 44 1.765 12.811 -1.888 1.00 0.00 H new ATOM 0 HA GLU A 44 2.775 15.022 -0.456 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.476 15.010 -2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.021 14.624 -1.743 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.214 16.730 -0.446 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.740 17.102 -1.224 1.00 0.00 H new ATOM 700 N THR A 45 0.506 13.443 1.184 1.00 0.00 N ATOM 701 CA THR A 45 -0.239 13.443 2.479 1.00 0.00 C ATOM 702 C THR A 45 0.703 13.019 3.606 1.00 0.00 C ATOM 703 O THR A 45 0.325 12.977 4.762 1.00 0.00 O ATOM 704 CB THR A 45 -1.416 12.468 2.394 1.00 0.00 C ATOM 705 OG1 THR A 45 -0.925 11.156 2.160 1.00 0.00 O ATOM 706 CG2 THR A 45 -2.338 12.884 1.249 1.00 0.00 C ATOM 0 H THR A 45 0.520 12.550 0.691 1.00 0.00 H new ATOM 0 HA THR A 45 -0.618 14.445 2.682 1.00 0.00 H new ATOM 0 HB THR A 45 -1.973 12.484 3.331 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.897 10.985 1.196 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.177 12.191 1.187 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.713 13.891 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.783 12.867 0.311 1.00 0.00 H new ATOM 714 N GLY A 46 1.939 12.720 3.277 1.00 0.00 N ATOM 715 CA GLY A 46 2.929 12.313 4.326 1.00 0.00 C ATOM 716 C GLY A 46 3.568 10.971 3.965 1.00 0.00 C ATOM 717 O GLY A 46 3.679 10.605 2.809 1.00 0.00 O ATOM 0 H GLY A 46 2.305 12.741 2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.701 13.076 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.433 12.238 5.294 1.00 0.00 H new ATOM 721 N ILE A 47 3.993 10.237 4.967 1.00 0.00 N ATOM 722 CA ILE A 47 4.638 8.909 4.738 1.00 0.00 C ATOM 723 C ILE A 47 3.914 7.850 5.565 1.00 0.00 C ATOM 724 O ILE A 47 3.342 8.138 6.601 1.00 0.00 O ATOM 725 CB ILE A 47 6.114 8.976 5.160 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.226 9.373 6.642 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.846 10.008 4.303 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.697 9.350 7.068 1.00 0.00 C ATOM 0 H ILE A 47 3.918 10.508 5.947 1.00 0.00 H new ATOM 0 HA ILE A 47 4.579 8.649 3.681 1.00 0.00 H new ATOM 0 HB ILE A 47 6.565 7.994 5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.808 10.368 6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.647 8.685 7.258 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.893 10.054 4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.782 9.720 3.254 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.386 10.987 4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.776 9.631 8.118 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.100 8.347 6.930 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.263 10.056 6.460 1.00 0.00 H new ATOM 740 N ILE A 48 3.926 6.621 5.116 1.00 0.00 N ATOM 741 CA ILE A 48 3.236 5.538 5.878 1.00 0.00 C ATOM 742 C ILE A 48 3.973 4.215 5.691 1.00 0.00 C ATOM 743 O ILE A 48 4.603 3.974 4.678 1.00 0.00 O ATOM 744 CB ILE A 48 1.793 5.389 5.394 1.00 0.00 C ATOM 745 CG1 ILE A 48 1.074 4.353 6.265 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.787 4.921 3.936 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.436 4.460 6.049 1.00 0.00 C ATOM 0 H ILE A 48 4.384 6.321 4.255 1.00 0.00 H new ATOM 0 HA ILE A 48 3.234 5.804 6.935 1.00 0.00 H new ATOM 0 HB ILE A 48 1.282 6.349 5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.417 3.350 6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.314 4.517 7.316 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.758 4.815 3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.303 5.654 3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.296 3.960 3.860 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.945 3.722 6.669 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.773 5.460 6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.668 4.274 5.000 1.00 0.00 H new ATOM 759 N LYS A 49 3.893 3.357 6.673 1.00 0.00 N ATOM 760 CA LYS A 49 4.576 2.036 6.591 1.00 0.00 C ATOM 761 C LYS A 49 3.686 1.030 5.876 1.00 0.00 C ATOM 762 O LYS A 49 2.472 1.077 5.965 1.00 0.00 O ATOM 763 CB LYS A 49 4.876 1.537 8.001 1.00 0.00 C ATOM 764 CG LYS A 49 5.877 2.489 8.698 1.00 0.00 C ATOM 765 CD LYS A 49 5.121 3.538 9.537 1.00 0.00 C ATOM 766 CE LYS A 49 4.822 2.971 10.926 1.00 0.00 C ATOM 767 NZ LYS A 49 6.107 2.667 11.616 1.00 0.00 N ATOM 0 H LYS A 49 3.377 3.519 7.538 1.00 0.00 H new ATOM 0 HA LYS A 49 5.505 2.147 6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.954 1.479 8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.289 0.529 7.959 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.549 1.917 9.338 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.496 2.987 7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.718 4.446 9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.192 3.815 9.039 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.243 3.688 11.508 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.218 2.068 10.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.934 2.543 12.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.513 1.793 11.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.773 3.453 11.471 1.00 0.00 H new ATOM 781 N PHE A 50 4.281 0.112 5.164 1.00 0.00 N ATOM 782 CA PHE A 50 3.478 -0.905 4.437 1.00 0.00 C ATOM 783 C PHE A 50 4.209 -2.243 4.463 1.00 0.00 C ATOM 784 O PHE A 50 5.412 -2.313 4.669 1.00 0.00 O ATOM 785 CB PHE A 50 3.275 -0.457 2.982 1.00 0.00 C ATOM 786 CG PHE A 50 4.549 -0.657 2.181 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.647 0.191 2.375 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.624 -1.689 1.234 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.815 0.006 1.625 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.793 -1.873 0.487 1.00 0.00 C ATOM 791 CZ PHE A 50 6.888 -1.025 0.683 1.00 0.00 C ATOM 0 H PHE A 50 5.291 0.024 5.056 1.00 0.00 H new ATOM 0 HA PHE A 50 2.507 -1.013 4.920 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.462 -1.025 2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.983 0.593 2.956 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.593 0.987 3.103 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.778 -2.343 1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.661 0.661 1.774 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.850 -2.669 -0.240 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.790 -1.167 0.107 1.00 0.00 H new ATOM 801 N THR A 51 3.488 -3.307 4.243 1.00 0.00 N ATOM 802 CA THR A 51 4.117 -4.657 4.237 1.00 0.00 C ATOM 803 C THR A 51 3.475 -5.506 3.145 1.00 0.00 C ATOM 804 O THR A 51 2.284 -5.431 2.900 1.00 0.00 O ATOM 805 CB THR A 51 3.911 -5.326 5.595 1.00 0.00 C ATOM 806 OG1 THR A 51 4.286 -6.693 5.505 1.00 0.00 O ATOM 807 CG2 THR A 51 2.442 -5.221 6.007 1.00 0.00 C ATOM 0 H THR A 51 2.484 -3.299 4.066 1.00 0.00 H new ATOM 0 HA THR A 51 5.185 -4.561 4.044 1.00 0.00 H new ATOM 0 HB THR A 51 4.526 -4.826 6.343 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.735 -6.964 6.333 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.301 -5.700 6.976 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.158 -4.171 6.076 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.819 -5.717 5.263 1.00 0.00 H new ATOM 815 N ILE A 52 4.265 -6.312 2.485 1.00 0.00 N ATOM 816 CA ILE A 52 3.732 -7.180 1.395 1.00 0.00 C ATOM 817 C ILE A 52 3.642 -8.623 1.876 1.00 0.00 C ATOM 818 O ILE A 52 4.618 -9.223 2.291 1.00 0.00 O ATOM 819 CB ILE A 52 4.661 -7.091 0.189 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.687 -5.640 -0.307 1.00 0.00 C ATOM 821 CG2 ILE A 52 4.146 -8.011 -0.919 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.795 -5.463 -1.347 1.00 0.00 C ATOM 0 H ILE A 52 5.266 -6.406 2.657 1.00 0.00 H new ATOM 0 HA ILE A 52 2.734 -6.843 1.114 1.00 0.00 H new ATOM 0 HB ILE A 52 5.668 -7.401 0.468 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.723 -5.378 -0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.852 -4.963 0.531 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.809 -7.948 -1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.119 -9.038 -0.556 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.142 -7.703 -1.210 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.807 -4.430 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.758 -5.706 -0.898 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.611 -6.127 -2.191 1.00 0.00 H new ATOM 834 N TRP A 53 2.465 -9.185 1.817 1.00 0.00 N ATOM 835 CA TRP A 53 2.271 -10.591 2.259 1.00 0.00 C ATOM 836 C TRP A 53 2.458 -11.529 1.065 1.00 0.00 C ATOM 837 O TRP A 53 1.976 -11.276 -0.025 1.00 0.00 O ATOM 838 CB TRP A 53 0.854 -10.744 2.820 1.00 0.00 C ATOM 839 CG TRP A 53 0.712 -9.910 4.056 1.00 0.00 C ATOM 840 CD1 TRP A 53 0.708 -8.556 4.084 1.00 0.00 C ATOM 841 CD2 TRP A 53 0.545 -10.347 5.436 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.558 -8.136 5.394 1.00 0.00 N ATOM 843 CE2 TRP A 53 0.451 -9.202 6.264 1.00 0.00 C ATOM 844 CE3 TRP A 53 0.468 -11.613 6.043 1.00 0.00 C ATOM 845 CZ2 TRP A 53 0.286 -9.312 7.646 1.00 0.00 C ATOM 846 CZ3 TRP A 53 0.302 -11.726 7.433 1.00 0.00 C ATOM 847 CH2 TRP A 53 0.212 -10.578 8.233 1.00 0.00 C ATOM 0 H TRP A 53 1.622 -8.722 1.477 1.00 0.00 H new ATOM 0 HA TRP A 53 2.999 -10.843 3.030 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.121 -10.435 2.074 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.654 -11.790 3.050 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.806 -7.910 3.224 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.530 -7.158 5.682 1.00 0.00 H new ATOM 0 HE3 TRP A 53 0.537 -12.504 5.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.216 -8.424 8.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.243 -12.703 7.889 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.086 -10.672 9.301 1.00 0.00 H new ATOM 858 N LYS A 54 3.151 -12.614 1.268 1.00 0.00 N ATOM 859 CA LYS A 54 3.371 -13.588 0.163 1.00 0.00 C ATOM 860 C LYS A 54 2.052 -14.295 -0.159 1.00 0.00 C ATOM 861 O LYS A 54 1.926 -14.996 -1.147 1.00 0.00 O ATOM 862 CB LYS A 54 4.405 -14.619 0.611 1.00 0.00 C ATOM 863 CG LYS A 54 5.780 -13.954 0.736 1.00 0.00 C ATOM 864 CD LYS A 54 6.801 -14.960 1.290 1.00 0.00 C ATOM 865 CE LYS A 54 7.220 -15.949 0.194 1.00 0.00 C ATOM 866 NZ LYS A 54 8.389 -16.745 0.660 1.00 0.00 N ATOM 0 H LYS A 54 3.578 -12.870 2.159 1.00 0.00 H new ATOM 0 HA LYS A 54 3.729 -13.068 -0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.111 -15.050 1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.451 -15.438 -0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.107 -13.590 -0.238 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.716 -13.088 1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.676 -14.431 1.666 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.369 -15.501 2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.389 -16.612 -0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.475 -15.410 -0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.672 -17.415 -0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.182 -16.106 0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.131 -17.271 1.519 1.00 0.00 H new ATOM 919 N LEU A 58 2.575 -11.333 -4.668 1.00 0.00 N ATOM 920 CA LEU A 58 2.843 -10.102 -5.473 1.00 0.00 C ATOM 921 C LEU A 58 4.355 -9.953 -5.711 1.00 0.00 C ATOM 922 O LEU A 58 5.153 -10.314 -4.869 1.00 0.00 O ATOM 923 CB LEU A 58 2.337 -8.877 -4.711 1.00 0.00 C ATOM 924 CG LEU A 58 0.912 -9.128 -4.216 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.447 -7.929 -3.391 1.00 0.00 C ATOM 926 CD2 LEU A 58 -0.024 -9.320 -5.417 1.00 0.00 C ATOM 0 HA LEU A 58 2.329 -10.183 -6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.993 -8.666 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.358 -8.000 -5.358 1.00 0.00 H new ATOM 0 HG LEU A 58 0.893 -10.026 -3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.569 -8.104 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.112 -7.795 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.466 -7.032 -4.010 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.039 -9.499 -5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.009 -8.424 -6.037 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.310 -10.174 -6.006 1.00 0.00 H new ATOM 938 N PRO A 59 4.747 -9.419 -6.846 1.00 0.00 N ATOM 939 CA PRO A 59 6.185 -9.211 -7.195 1.00 0.00 C ATOM 940 C PRO A 59 6.832 -8.071 -6.395 1.00 0.00 C ATOM 941 O PRO A 59 6.164 -7.237 -5.811 1.00 0.00 O ATOM 942 CB PRO A 59 6.143 -8.885 -8.692 1.00 0.00 C ATOM 943 CG PRO A 59 4.809 -8.249 -8.897 1.00 0.00 C ATOM 944 CD PRO A 59 3.862 -8.955 -7.931 1.00 0.00 C ATOM 0 HA PRO A 59 6.793 -10.084 -6.957 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.952 -8.211 -8.975 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.251 -9.785 -9.298 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.850 -7.179 -8.693 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.474 -8.365 -9.928 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.093 -8.278 -7.558 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.348 -9.787 -8.412 1.00 0.00 H new ATOM 952 N LEU A 60 8.136 -8.046 -6.365 1.00 0.00 N ATOM 953 CA LEU A 60 8.859 -6.987 -5.607 1.00 0.00 C ATOM 954 C LEU A 60 8.649 -5.621 -6.262 1.00 0.00 C ATOM 955 O LEU A 60 8.574 -5.492 -7.471 1.00 0.00 O ATOM 956 CB LEU A 60 10.349 -7.321 -5.577 1.00 0.00 C ATOM 957 CG LEU A 60 10.546 -8.730 -5.004 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.040 -9.064 -4.982 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.974 -8.801 -3.577 1.00 0.00 C ATOM 0 H LEU A 60 8.737 -8.721 -6.838 1.00 0.00 H new ATOM 0 HA LEU A 60 8.468 -6.947 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.766 -7.264 -6.583 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.884 -6.592 -4.969 1.00 0.00 H new ATOM 0 HG LEU A 60 10.021 -9.452 -5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.183 -10.065 -4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.437 -9.025 -5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.565 -8.340 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.118 -9.805 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.489 -8.080 -2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.909 -8.569 -3.600 1.00 0.00 H new ATOM 971 N LEU A 61 8.544 -4.600 -5.451 1.00 0.00 N ATOM 972 CA LEU A 61 8.322 -3.222 -5.974 1.00 0.00 C ATOM 973 C LEU A 61 9.664 -2.514 -6.191 1.00 0.00 C ATOM 974 O LEU A 61 10.566 -2.590 -5.377 1.00 0.00 O ATOM 975 CB LEU A 61 7.478 -2.445 -4.961 1.00 0.00 C ATOM 976 CG LEU A 61 6.003 -2.824 -5.124 1.00 0.00 C ATOM 977 CD1 LEU A 61 5.833 -4.332 -4.919 1.00 0.00 C ATOM 978 CD2 LEU A 61 5.168 -2.070 -4.087 1.00 0.00 C ATOM 0 H LEU A 61 8.604 -4.666 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 61 7.802 -3.272 -6.931 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.811 -2.668 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.607 -1.373 -5.111 1.00 0.00 H new ATOM 0 HG LEU A 61 5.669 -2.557 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.783 -4.599 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.428 -4.869 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.167 -4.603 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.118 -2.338 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.504 -2.337 -3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.287 -0.997 -4.235 1.00 0.00 H new ATOM 990 N GLU A 62 9.791 -1.824 -7.293 1.00 0.00 N ATOM 991 CA GLU A 62 11.059 -1.102 -7.593 1.00 0.00 C ATOM 992 C GLU A 62 11.089 0.240 -6.859 1.00 0.00 C ATOM 993 O GLU A 62 10.072 0.870 -6.631 1.00 0.00 O ATOM 994 CB GLU A 62 11.162 -0.870 -9.101 1.00 0.00 C ATOM 995 CG GLU A 62 11.389 -2.213 -9.798 1.00 0.00 C ATOM 996 CD GLU A 62 11.422 -2.015 -11.316 1.00 0.00 C ATOM 997 OE1 GLU A 62 11.329 -0.880 -11.749 1.00 0.00 O ATOM 998 OE2 GLU A 62 11.542 -3.004 -12.018 1.00 0.00 O ATOM 0 H GLU A 62 9.064 -1.730 -8.003 1.00 0.00 H new ATOM 0 HA GLU A 62 11.903 -1.703 -7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.250 -0.402 -9.473 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.983 -0.188 -9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.327 -2.654 -9.460 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.595 -2.910 -9.531 1.00 0.00 H new ATOM 1005 N GLN A 63 12.262 0.668 -6.481 1.00 0.00 N ATOM 1006 CA GLN A 63 12.407 1.954 -5.746 1.00 0.00 C ATOM 1007 C GLN A 63 12.350 3.144 -6.709 1.00 0.00 C ATOM 1008 O GLN A 63 12.893 3.114 -7.799 1.00 0.00 O ATOM 1009 CB GLN A 63 13.750 1.962 -5.018 1.00 0.00 C ATOM 1010 CG GLN A 63 13.730 0.918 -3.900 1.00 0.00 C ATOM 1011 CD GLN A 63 15.119 0.821 -3.261 1.00 0.00 C ATOM 1012 OE1 GLN A 63 15.263 1.089 -1.993 1.00 0.00 O flip ATOM 1013 NE2 GLN A 63 16.085 0.492 -3.925 1.00 0.00 N flip ATOM 0 H GLN A 63 13.137 0.174 -6.653 1.00 0.00 H new ATOM 0 HA GLN A 63 11.587 2.044 -5.034 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.557 1.745 -5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 63 13.945 2.951 -4.603 1.00 0.00 H new ATOM 0 HG2 GLN A 63 12.991 1.191 -3.147 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.434 -0.052 -4.300 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.974 0.282 -4.917 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.005 0.426 -3.489 1.00 0.00 H new ATOM 1022 N GLY A 64 11.700 4.199 -6.297 1.00 0.00 N ATOM 1023 CA GLY A 64 11.601 5.414 -7.155 1.00 0.00 C ATOM 1024 C GLY A 64 10.524 5.222 -8.225 1.00 0.00 C ATOM 1025 O GLY A 64 10.652 5.694 -9.341 1.00 0.00 O ATOM 0 H GLY A 64 11.229 4.271 -5.395 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.363 6.283 -6.541 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.562 5.612 -7.629 1.00 0.00 H new ATOM 1029 N GLU A 65 9.461 4.535 -7.898 1.00 0.00 N ATOM 1030 CA GLU A 65 8.368 4.318 -8.896 1.00 0.00 C ATOM 1031 C GLU A 65 7.003 4.417 -8.212 1.00 0.00 C ATOM 1032 O GLU A 65 6.825 4.010 -7.073 1.00 0.00 O ATOM 1033 CB GLU A 65 8.526 2.947 -9.554 1.00 0.00 C ATOM 1034 CG GLU A 65 9.766 2.968 -10.449 1.00 0.00 C ATOM 1035 CD GLU A 65 9.929 1.618 -11.145 1.00 0.00 C ATOM 1036 OE1 GLU A 65 9.027 0.803 -11.041 1.00 0.00 O ATOM 1037 OE2 GLU A 65 10.950 1.430 -11.784 1.00 0.00 O ATOM 0 H GLU A 65 9.301 4.114 -6.983 1.00 0.00 H new ATOM 0 HA GLU A 65 8.433 5.089 -9.664 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.623 2.173 -8.793 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.640 2.707 -10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.676 3.761 -11.191 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.651 3.189 -9.853 1.00 0.00 H new ATOM 1044 N SER A 66 6.043 4.966 -8.909 1.00 0.00 N ATOM 1045 CA SER A 66 4.679 5.120 -8.339 1.00 0.00 C ATOM 1046 C SER A 66 3.902 3.813 -8.470 1.00 0.00 C ATOM 1047 O SER A 66 4.023 3.092 -9.448 1.00 0.00 O ATOM 1048 CB SER A 66 3.945 6.225 -9.087 1.00 0.00 C ATOM 1049 OG SER A 66 3.743 5.827 -10.436 1.00 0.00 O ATOM 0 H SER A 66 6.151 5.317 -9.860 1.00 0.00 H new ATOM 0 HA SER A 66 4.760 5.378 -7.283 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.987 6.429 -8.609 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.522 7.149 -9.051 1.00 0.00 H new ATOM 0 HG SER A 66 4.509 6.110 -10.979 1.00 0.00 H new ATOM 1055 N TYR A 67 3.097 3.504 -7.487 1.00 0.00 N ATOM 1056 CA TYR A 67 2.299 2.248 -7.526 1.00 0.00 C ATOM 1057 C TYR A 67 0.885 2.512 -7.021 1.00 0.00 C ATOM 1058 O TYR A 67 0.670 3.268 -6.081 1.00 0.00 O ATOM 1059 CB TYR A 67 2.959 1.199 -6.634 1.00 0.00 C ATOM 1060 CG TYR A 67 4.288 0.803 -7.225 1.00 0.00 C ATOM 1061 CD1 TYR A 67 4.333 -0.104 -8.289 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.472 1.339 -6.709 1.00 0.00 C ATOM 1063 CE1 TYR A 67 5.566 -0.475 -8.840 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.704 0.968 -7.258 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.752 0.062 -8.325 1.00 0.00 C ATOM 1066 OH TYR A 67 7.966 -0.303 -8.868 1.00 0.00 O ATOM 0 H TYR A 67 2.959 4.075 -6.653 1.00 0.00 H new ATOM 0 HA TYR A 67 2.254 1.888 -8.554 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.100 1.597 -5.629 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.314 0.325 -6.543 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.418 -0.518 -8.685 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.435 2.039 -5.887 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.602 -1.175 -9.662 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.619 1.380 -6.859 1.00 0.00 H new ATOM 0 HH TYR A 67 8.039 0.057 -9.777 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.080 1.876 -7.639 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.500 2.042 -7.221 1.00 0.00 C ATOM 1078 C LEU A 68 -1.961 0.754 -6.544 1.00 0.00 C ATOM 1079 O LEU A 68 -2.068 -0.290 -7.165 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.366 2.328 -8.455 1.00 0.00 C ATOM 1081 CG LEU A 68 -3.853 2.353 -8.069 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.090 3.344 -6.921 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.680 2.779 -9.287 1.00 0.00 C ATOM 0 H LEU A 68 0.062 1.242 -8.425 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.594 2.876 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.081 3.284 -8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.193 1.565 -9.214 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.153 1.358 -7.742 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.148 3.351 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.503 3.043 -6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.788 4.343 -7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.737 2.799 -9.020 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.368 3.773 -9.609 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.524 2.069 -10.099 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.232 0.824 -5.270 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.683 -0.381 -4.519 1.00 0.00 C ATOM 1097 C LEU A 69 -4.195 -0.336 -4.368 1.00 0.00 C ATOM 1098 O LEU A 69 -4.759 0.672 -3.981 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.041 -0.385 -3.131 1.00 0.00 C ATOM 1100 CG LEU A 69 -0.503 -0.251 -3.257 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.086 1.221 -3.130 1.00 0.00 C ATOM 1102 CD2 LEU A 69 0.184 -1.059 -2.149 1.00 0.00 C ATOM 0 H LEU A 69 -2.159 1.674 -4.711 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.390 -1.281 -5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.438 0.437 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.292 -1.308 -2.608 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.202 -0.631 -4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.997 1.301 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.560 1.803 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.399 1.605 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.265 -0.960 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.131 -0.683 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.094 -2.109 -2.239 1.00 0.00 H new ATOM 1114 N ARG A 70 -4.858 -1.420 -4.679 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.344 -1.460 -4.570 1.00 0.00 C ATOM 1116 C ARG A 70 -6.784 -2.647 -3.717 1.00 0.00 C ATOM 1117 O ARG A 70 -6.143 -3.685 -3.687 1.00 0.00 O ATOM 1118 CB ARG A 70 -6.960 -1.583 -5.964 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.640 -0.324 -6.771 1.00 0.00 C ATOM 1120 CD ARG A 70 -7.179 -0.470 -8.198 1.00 0.00 C ATOM 1121 NE ARG A 70 -8.669 -0.538 -8.162 1.00 0.00 N ATOM 1122 CZ ARG A 70 -9.351 -0.787 -9.250 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -8.735 -0.985 -10.384 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -10.653 -0.838 -9.201 1.00 0.00 N ATOM 0 H ARG A 70 -4.428 -2.285 -5.006 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.683 -0.538 -4.098 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.567 -2.464 -6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.039 -1.715 -5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.085 0.548 -6.292 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.563 -0.160 -6.795 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.857 0.374 -8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.774 -1.370 -8.661 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.160 -0.389 -7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.717 -0.946 -10.425 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.272 -1.179 -11.229 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.136 -0.684 -8.316 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -11.188 -1.032 -10.048 1.00 0.00 H new ATOM 1138 N SER A 71 -7.884 -2.478 -3.027 1.00 0.00 N ATOM 1139 CA SER A 71 -8.438 -3.555 -2.158 1.00 0.00 C ATOM 1140 C SER A 71 -7.419 -3.953 -1.089 1.00 0.00 C ATOM 1141 O SER A 71 -7.070 -5.110 -0.946 1.00 0.00 O ATOM 1142 CB SER A 71 -8.822 -4.774 -3.002 1.00 0.00 C ATOM 1143 OG SER A 71 -8.974 -5.904 -2.153 1.00 0.00 O ATOM 0 H SER A 71 -8.432 -1.618 -3.032 1.00 0.00 H new ATOM 0 HA SER A 71 -9.332 -3.176 -1.664 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.751 -4.581 -3.539 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.055 -4.968 -3.751 1.00 0.00 H new ATOM 0 HG SER A 71 -8.543 -6.682 -2.564 1.00 0.00 H new ATOM 1149 N VAL A 72 -6.952 -2.994 -0.323 1.00 0.00 N ATOM 1150 CA VAL A 72 -5.966 -3.289 0.762 1.00 0.00 C ATOM 1151 C VAL A 72 -6.613 -3.023 2.114 1.00 0.00 C ATOM 1152 O VAL A 72 -7.615 -2.334 2.212 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.724 -2.407 0.608 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -3.939 -2.855 -0.624 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.140 -0.942 0.439 1.00 0.00 C ATOM 0 H VAL A 72 -7.215 -2.012 -0.406 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.665 -4.334 0.694 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.103 -2.502 1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.053 -2.230 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.636 -3.895 -0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.567 -2.760 -1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.251 -0.321 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.764 -0.841 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.702 -0.620 1.316 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.050 -3.584 3.160 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.621 -3.404 4.527 1.00 0.00 C ATOM 1167 C VAL A 73 -5.653 -2.610 5.402 1.00 0.00 C ATOM 1168 O VAL A 73 -4.459 -2.854 5.424 1.00 0.00 O ATOM 1169 CB VAL A 73 -6.877 -4.778 5.152 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -5.547 -5.489 5.432 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -7.643 -4.602 6.462 1.00 0.00 C ATOM 0 H VAL A 73 -5.212 -4.164 3.120 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.559 -2.854 4.455 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.462 -5.381 4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.743 -6.465 5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.000 -5.619 4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.952 -4.889 6.121 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.827 -5.579 6.910 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.055 -3.993 7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.595 -4.109 6.264 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.175 -1.650 6.120 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.320 -0.813 7.001 1.00 0.00 C ATOM 1183 C VAL A 74 -5.077 -1.533 8.326 1.00 0.00 C ATOM 1184 O VAL A 74 -5.996 -1.844 9.064 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.018 0.524 7.249 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -5.054 1.485 7.945 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.448 1.124 5.906 1.00 0.00 C ATOM 0 H VAL A 74 -7.167 -1.411 6.131 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.358 -0.637 6.520 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.892 0.366 7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.554 2.438 8.121 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.740 1.059 8.898 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.180 1.645 7.313 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.947 2.078 6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.570 1.280 5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.134 0.441 5.405 1.00 0.00 H new ATOM 1197 N GLY A 75 -3.833 -1.802 8.627 1.00 0.00 N ATOM 1198 CA GLY A 75 -3.489 -2.509 9.892 1.00 0.00 C ATOM 1199 C GLY A 75 -3.169 -1.499 10.991 1.00 0.00 C ATOM 1200 O GLY A 75 -3.047 -0.310 10.752 1.00 0.00 O ATOM 0 H GLY A 75 -3.034 -1.558 8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.321 -3.142 10.201 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.633 -3.164 9.730 1.00 0.00 H new ATOM 1204 N GLU A 76 -3.033 -1.974 12.205 1.00 0.00 N ATOM 1205 CA GLU A 76 -2.727 -1.070 13.352 1.00 0.00 C ATOM 1206 C GLU A 76 -1.251 -1.181 13.732 1.00 0.00 C ATOM 1207 O GLU A 76 -0.704 -2.262 13.856 1.00 0.00 O ATOM 1208 CB GLU A 76 -3.607 -1.462 14.546 1.00 0.00 C ATOM 1209 CG GLU A 76 -3.269 -2.883 15.012 1.00 0.00 C ATOM 1210 CD GLU A 76 -4.276 -3.324 16.080 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -5.063 -2.493 16.503 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -4.244 -4.485 16.456 1.00 0.00 O ATOM 0 H GLU A 76 -3.122 -2.960 12.450 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.934 -0.038 13.067 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.456 -0.758 15.364 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.659 -1.404 14.266 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.295 -3.570 14.166 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.257 -2.914 15.416 1.00 0.00 H new ATOM 1219 N TYR A 77 -0.603 -0.059 13.921 1.00 0.00 N ATOM 1220 CA TYR A 77 0.836 -0.070 14.302 1.00 0.00 C ATOM 1221 C TYR A 77 1.057 0.969 15.402 1.00 0.00 C ATOM 1222 O TYR A 77 1.225 2.144 15.141 1.00 0.00 O ATOM 1223 CB TYR A 77 1.696 0.266 13.082 1.00 0.00 C ATOM 1224 CG TYR A 77 3.150 -0.002 13.402 1.00 0.00 C ATOM 1225 CD1 TYR A 77 3.581 -1.313 13.640 1.00 0.00 C ATOM 1226 CD2 TYR A 77 4.066 1.057 13.467 1.00 0.00 C ATOM 1227 CE1 TYR A 77 4.924 -1.565 13.942 1.00 0.00 C ATOM 1228 CE2 TYR A 77 5.409 0.803 13.768 1.00 0.00 C ATOM 1229 CZ TYR A 77 5.838 -0.509 14.005 1.00 0.00 C ATOM 1230 OH TYR A 77 7.163 -0.759 14.302 1.00 0.00 O ATOM 0 H TYR A 77 -1.015 0.869 13.826 1.00 0.00 H new ATOM 0 HA TYR A 77 1.119 -1.058 14.666 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.384 -0.334 12.227 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.560 1.311 12.804 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.876 -2.130 13.590 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.735 2.069 13.285 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.255 -2.576 14.127 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.115 1.619 13.818 1.00 0.00 H new ATOM 0 HH TYR A 77 7.662 0.084 14.305 1.00 0.00 H new ATOM 1240 N ASN A 78 1.053 0.525 16.630 1.00 0.00 N ATOM 1241 CA ASN A 78 1.257 1.447 17.789 1.00 0.00 C ATOM 1242 C ASN A 78 0.477 2.758 17.607 1.00 0.00 C ATOM 1243 O ASN A 78 -0.674 2.764 17.214 1.00 0.00 O ATOM 1244 CB ASN A 78 2.752 1.747 17.950 1.00 0.00 C ATOM 1245 CG ASN A 78 3.292 2.424 16.687 1.00 0.00 C ATOM 1246 OD1 ASN A 78 2.856 3.497 16.316 1.00 0.00 O ATOM 1247 ND2 ASN A 78 4.233 1.834 16.005 1.00 0.00 N ATOM 0 H ASN A 78 0.915 -0.453 16.885 1.00 0.00 H new ATOM 0 HA ASN A 78 0.881 0.955 18.686 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.910 2.392 18.814 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.298 0.823 18.138 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.603 2.272 15.161 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.600 0.934 16.315 1.00 0.00 H new ATOM 1254 N ASP A 79 1.099 3.867 17.913 1.00 0.00 N ATOM 1255 CA ASP A 79 0.411 5.181 17.782 1.00 0.00 C ATOM 1256 C ASP A 79 0.283 5.550 16.305 1.00 0.00 C ATOM 1257 O ASP A 79 -0.340 6.535 15.954 1.00 0.00 O ATOM 1258 CB ASP A 79 1.235 6.253 18.500 1.00 0.00 C ATOM 1259 CG ASP A 79 1.160 6.039 20.013 1.00 0.00 C ATOM 1260 OD1 ASP A 79 0.302 5.288 20.443 1.00 0.00 O ATOM 1261 OD2 ASP A 79 1.963 6.631 20.715 1.00 0.00 O ATOM 0 H ASP A 79 2.060 3.917 18.250 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.582 5.117 18.226 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.272 6.210 18.169 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.860 7.244 18.245 1.00 0.00 H new ATOM 1266 N ARG A 80 0.877 4.772 15.437 1.00 0.00 N ATOM 1267 CA ARG A 80 0.809 5.064 13.972 1.00 0.00 C ATOM 1268 C ARG A 80 -0.054 4.018 13.268 1.00 0.00 C ATOM 1269 O ARG A 80 -0.591 3.112 13.884 1.00 0.00 O ATOM 1270 CB ARG A 80 2.218 5.040 13.376 1.00 0.00 C ATOM 1271 CG ARG A 80 3.000 6.259 13.870 1.00 0.00 C ATOM 1272 CD ARG A 80 4.415 6.239 13.281 1.00 0.00 C ATOM 1273 NE ARG A 80 5.192 5.119 13.884 1.00 0.00 N ATOM 1274 CZ ARG A 80 6.414 4.866 13.488 1.00 0.00 C ATOM 1275 NH1 ARG A 80 6.970 5.591 12.554 1.00 0.00 N ATOM 1276 NH2 ARG A 80 7.080 3.884 14.028 1.00 0.00 N ATOM 0 H ARG A 80 1.412 3.939 15.682 1.00 0.00 H new ATOM 0 HA ARG A 80 0.367 6.050 13.830 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.732 4.123 13.665 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.164 5.045 12.287 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.487 7.175 13.577 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.049 6.255 14.959 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.368 6.121 12.198 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.914 7.188 13.476 1.00 0.00 H new ATOM 0 HE ARG A 80 4.768 4.544 14.612 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.452 6.360 12.129 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.922 5.388 12.250 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.649 3.315 14.757 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.032 3.684 13.722 1.00 0.00 H new ATOM 1290 N PHE A 81 -0.196 4.147 11.973 1.00 0.00 N ATOM 1291 CA PHE A 81 -1.027 3.184 11.191 1.00 0.00 C ATOM 1292 C PHE A 81 -0.233 2.681 9.990 1.00 0.00 C ATOM 1293 O PHE A 81 0.672 3.336 9.506 1.00 0.00 O ATOM 1294 CB PHE A 81 -2.288 3.889 10.701 1.00 0.00 C ATOM 1295 CG PHE A 81 -3.094 4.354 11.888 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -3.911 3.449 12.575 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -3.025 5.690 12.304 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -4.659 3.879 13.677 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -3.773 6.120 13.405 1.00 0.00 C ATOM 1300 CZ PHE A 81 -4.591 5.214 14.092 1.00 0.00 C ATOM 0 H PHE A 81 0.234 4.888 11.419 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.299 2.341 11.826 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -2.022 4.739 10.072 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.882 3.212 10.087 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.964 2.419 12.255 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.394 6.388 11.774 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.289 3.180 14.207 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.720 7.150 13.725 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.169 5.545 14.942 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.563 1.510 9.509 1.00 0.00 N ATOM 1311 CA GLN A 82 0.168 0.942 8.337 1.00 0.00 C ATOM 1312 C GLN A 82 -0.819 0.259 7.393 1.00 0.00 C ATOM 1313 O GLN A 82 -1.936 -0.057 7.762 1.00 0.00 O ATOM 1314 CB GLN A 82 1.204 -0.079 8.823 1.00 0.00 C ATOM 1315 CG GLN A 82 0.510 -1.205 9.595 1.00 0.00 C ATOM 1316 CD GLN A 82 1.560 -2.188 10.123 1.00 0.00 C ATOM 1317 OE1 GLN A 82 2.753 -2.201 9.593 1.00 0.00 O flip ATOM 1318 NE2 GLN A 82 1.290 -2.954 11.030 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.309 0.921 9.879 1.00 0.00 H new ATOM 0 HA GLN A 82 0.674 1.748 7.805 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.747 -0.491 7.972 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.938 0.412 9.462 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.065 -0.791 10.424 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.195 -1.724 8.946 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.358 -2.945 11.445 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.996 -3.605 11.375 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.403 0.031 6.170 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.287 -0.635 5.166 1.00 0.00 C ATOM 1329 C VAL A 83 -0.731 -2.022 4.849 1.00 0.00 C ATOM 1330 O VAL A 83 0.452 -2.193 4.601 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.340 0.211 3.890 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.739 1.645 4.246 1.00 0.00 C ATOM 1333 CG2 VAL A 83 0.033 0.213 3.209 1.00 0.00 C ATOM 0 H VAL A 83 0.523 0.282 5.823 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.295 -0.733 5.569 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.076 -0.213 3.207 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.777 2.248 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.720 1.642 4.721 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.005 2.067 4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.011 0.816 2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.775 0.633 3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.313 -0.809 2.952 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.577 -3.023 4.872 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.119 -4.417 4.591 1.00 0.00 C ATOM 1345 C GLN A 84 -1.594 -4.853 3.208 1.00 0.00 C ATOM 1346 O GLN A 84 -2.779 -4.927 2.932 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.696 -5.357 5.651 1.00 0.00 C ATOM 1348 CG GLN A 84 -1.063 -5.030 7.005 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.630 -5.958 8.079 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -2.374 -6.872 7.782 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.307 -5.759 9.329 1.00 0.00 N ATOM 0 H GLN A 84 -2.572 -2.932 5.075 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.030 -4.453 4.619 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.779 -5.244 5.705 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.496 -6.394 5.383 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.020 -5.144 6.948 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.261 -3.991 7.268 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.683 -4.992 9.579 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.679 -6.371 10.056 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.668 -5.150 2.335 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.036 -5.593 0.962 1.00 0.00 C ATOM 1362 C VAL A 85 -1.176 -7.114 0.953 1.00 0.00 C ATOM 1363 O VAL A 85 -0.202 -7.843 0.887 1.00 0.00 O ATOM 1364 CB VAL A 85 0.056 -5.169 -0.018 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.452 -5.337 -1.448 1.00 0.00 C ATOM 1366 CG2 VAL A 85 0.417 -3.701 0.225 1.00 0.00 C ATOM 0 H VAL A 85 0.334 -5.104 2.518 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.980 -5.137 0.664 1.00 0.00 H new ATOM 0 HB VAL A 85 0.939 -5.790 0.130 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.326 -5.035 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.711 -6.381 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.335 -4.715 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.196 -3.397 -0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.466 -3.080 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.778 -3.579 1.246 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.385 -7.597 1.029 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.610 -9.069 1.037 1.00 0.00 C ATOM 1378 C ASN A 86 -3.974 -9.386 0.429 1.00 0.00 C ATOM 1379 O ASN A 86 -4.691 -8.512 -0.016 1.00 0.00 O ATOM 1380 CB ASN A 86 -2.558 -9.592 2.483 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.802 -9.140 3.259 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -3.955 -7.876 3.548 1.00 0.00 O flip ATOM 1383 ND2 ASN A 86 -4.645 -9.946 3.605 1.00 0.00 N flip ATOM 0 H ASN A 86 -3.232 -7.031 1.086 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.831 -9.554 0.448 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.498 -10.680 2.481 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -1.659 -9.224 2.978 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.528 -10.934 3.381 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.469 -9.634 4.119 1.00 0.00 H new ATOM 1390 N LYS A 87 -4.328 -10.641 0.427 1.00 0.00 N ATOM 1391 CA LYS A 87 -5.643 -11.073 -0.121 1.00 0.00 C ATOM 1392 C LYS A 87 -5.719 -10.847 -1.637 1.00 0.00 C ATOM 1393 O LYS A 87 -4.842 -11.237 -2.385 1.00 0.00 O ATOM 1394 CB LYS A 87 -6.776 -10.289 0.564 1.00 0.00 C ATOM 1395 CG LYS A 87 -8.110 -11.033 0.368 1.00 0.00 C ATOM 1396 CD LYS A 87 -8.318 -12.032 1.509 1.00 0.00 C ATOM 1397 CE LYS A 87 -9.584 -12.848 1.256 1.00 0.00 C ATOM 1398 NZ LYS A 87 -10.770 -11.951 1.317 1.00 0.00 N ATOM 0 H LYS A 87 -3.750 -11.399 0.789 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.753 -12.139 0.076 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.563 -10.177 1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.843 -9.285 0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.934 -10.320 0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.109 -11.555 -0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.456 -12.695 1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.399 -11.503 2.458 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.530 -13.331 0.281 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.674 -13.640 2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.633 -12.523 1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.681 -11.313 2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.826 -11.390 0.443 1.00 0.00 H new ATOM 1412 N ASN A 88 -6.780 -10.227 -2.090 1.00 0.00 N ATOM 1413 CA ASN A 88 -6.955 -9.973 -3.546 1.00 0.00 C ATOM 1414 C ASN A 88 -6.343 -8.616 -3.899 1.00 0.00 C ATOM 1415 O ASN A 88 -6.659 -8.017 -4.912 1.00 0.00 O ATOM 1416 CB ASN A 88 -8.453 -9.986 -3.885 1.00 0.00 C ATOM 1417 CG ASN A 88 -9.138 -8.731 -3.337 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -8.899 -7.579 -3.894 1.00 0.00 O flip ATOM 1419 ND2 ASN A 88 -9.908 -8.805 -2.397 1.00 0.00 N flip ATOM 0 H ASN A 88 -7.540 -9.883 -1.502 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.453 -10.749 -4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.587 -10.038 -4.965 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.920 -10.876 -3.463 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.095 -9.708 -1.961 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.366 -7.964 -2.046 1.00 0.00 H new ATOM 1426 N SER A 89 -5.468 -8.125 -3.063 1.00 0.00 N ATOM 1427 CA SER A 89 -4.833 -6.806 -3.332 1.00 0.00 C ATOM 1428 C SER A 89 -4.137 -6.832 -4.689 1.00 0.00 C ATOM 1429 O SER A 89 -3.579 -7.833 -5.101 1.00 0.00 O ATOM 1430 CB SER A 89 -3.806 -6.503 -2.243 1.00 0.00 C ATOM 1431 OG SER A 89 -4.485 -6.114 -1.059 1.00 0.00 O ATOM 0 H SER A 89 -5.166 -8.583 -2.203 1.00 0.00 H new ATOM 0 HA SER A 89 -5.602 -6.034 -3.337 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.190 -7.382 -2.052 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.135 -5.709 -2.570 1.00 0.00 H new ATOM 0 HG SER A 89 -4.508 -6.867 -0.433 1.00 0.00 H new ATOM 1437 N SER A 90 -4.174 -5.728 -5.386 1.00 0.00 N ATOM 1438 CA SER A 90 -3.530 -5.647 -6.730 1.00 0.00 C ATOM 1439 C SER A 90 -2.633 -4.416 -6.789 1.00 0.00 C ATOM 1440 O SER A 90 -2.851 -3.438 -6.096 1.00 0.00 O ATOM 1441 CB SER A 90 -4.612 -5.536 -7.798 1.00 0.00 C ATOM 1442 OG SER A 90 -5.289 -6.781 -7.909 1.00 0.00 O ATOM 0 H SER A 90 -4.628 -4.868 -5.078 1.00 0.00 H new ATOM 0 HA SER A 90 -2.932 -6.541 -6.904 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.317 -4.747 -7.537 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.168 -5.263 -8.755 1.00 0.00 H new ATOM 0 HG SER A 90 -5.987 -6.714 -8.594 1.00 0.00 H new ATOM 1448 N ILE A 91 -1.618 -4.461 -7.612 1.00 0.00 N ATOM 1449 CA ILE A 91 -0.683 -3.306 -7.739 1.00 0.00 C ATOM 1450 C ILE A 91 -0.471 -2.982 -9.215 1.00 0.00 C ATOM 1451 O ILE A 91 -0.265 -3.860 -10.033 1.00 0.00 O ATOM 1452 CB ILE A 91 0.660 -3.650 -7.100 1.00 0.00 C ATOM 1453 CG1 ILE A 91 0.470 -3.842 -5.592 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.644 -2.506 -7.352 1.00 0.00 C ATOM 1455 CD1 ILE A 91 1.748 -4.418 -4.982 1.00 0.00 C ATOM 0 H ILE A 91 -1.395 -5.258 -8.208 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.113 -2.443 -7.231 1.00 0.00 H new ATOM 0 HB ILE A 91 1.051 -4.570 -7.535 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.228 -2.889 -5.122 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.369 -4.512 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.605 -2.746 -6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.774 -2.368 -8.425 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.254 -1.588 -6.913 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.610 -4.554 -3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.970 -5.380 -5.444 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.576 -3.732 -5.157 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.523 -1.719 -9.560 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.328 -1.308 -10.983 1.00 0.00 C ATOM 1469 C GLU A 92 0.732 -0.211 -11.051 1.00 0.00 C ATOM 1470 O GLU A 92 0.744 0.713 -10.256 1.00 0.00 O ATOM 1471 CB GLU A 92 -1.648 -0.777 -11.540 1.00 0.00 C ATOM 1472 CG GLU A 92 -2.728 -1.849 -11.387 1.00 0.00 C ATOM 1473 CD GLU A 92 -2.364 -3.076 -12.230 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -1.551 -2.937 -13.129 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -2.904 -4.136 -11.959 1.00 0.00 O ATOM 0 H GLU A 92 -0.693 -0.951 -8.911 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.002 -2.165 -11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.941 0.129 -11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.531 -0.509 -12.590 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.826 -2.132 -10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.694 -1.453 -11.702 1.00 0.00 H new ATOM 1482 N LYS A 93 1.629 -0.311 -11.996 1.00 0.00 N ATOM 1483 CA LYS A 93 2.702 0.712 -12.127 1.00 0.00 C ATOM 1484 C LYS A 93 2.173 1.927 -12.884 1.00 0.00 C ATOM 1485 O LYS A 93 1.670 1.820 -13.988 1.00 0.00 O ATOM 1486 CB LYS A 93 3.886 0.113 -12.884 1.00 0.00 C ATOM 1487 CG LYS A 93 5.020 1.139 -12.952 1.00 0.00 C ATOM 1488 CD LYS A 93 6.237 0.521 -13.642 1.00 0.00 C ATOM 1489 CE LYS A 93 7.369 1.549 -13.691 1.00 0.00 C ATOM 1490 NZ LYS A 93 8.566 0.942 -14.338 1.00 0.00 N ATOM 0 H LYS A 93 1.663 -1.062 -12.685 1.00 0.00 H new ATOM 0 HA LYS A 93 3.024 1.024 -11.133 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.230 -0.793 -12.385 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.580 -0.174 -13.890 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.691 2.023 -13.498 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.287 1.466 -11.947 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.562 -0.369 -13.103 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.975 0.204 -14.651 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.050 2.430 -14.247 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.617 1.881 -12.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.335 1.641 -14.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 8.874 0.114 -13.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.325 0.646 -15.306 1.00 0.00 H new ATOM 1504 N LEU A 94 2.292 3.086 -12.290 1.00 0.00 N ATOM 1505 CA LEU A 94 1.809 4.336 -12.948 1.00 0.00 C ATOM 1506 C LEU A 94 3.006 5.120 -13.496 1.00 0.00 C ATOM 1507 O LEU A 94 3.990 5.340 -12.815 1.00 0.00 O ATOM 1508 CB LEU A 94 1.044 5.182 -11.916 1.00 0.00 C ATOM 1509 CG LEU A 94 -0.421 4.724 -11.846 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -0.490 3.248 -11.444 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -1.170 5.570 -10.813 1.00 0.00 C ATOM 0 H LEU A 94 2.707 3.221 -11.368 1.00 0.00 H new ATOM 0 HA LEU A 94 1.143 4.090 -13.775 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.511 5.086 -10.936 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.092 6.236 -12.190 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.882 4.848 -12.826 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.532 2.932 -11.397 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.039 2.645 -12.182 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.026 3.115 -10.467 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.210 5.246 -10.762 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.704 5.448 -9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.131 6.619 -11.105 1.00 0.00 H new ATOM 1523 N SER A 95 2.919 5.538 -14.729 1.00 0.00 N ATOM 1524 CA SER A 95 4.027 6.314 -15.350 1.00 0.00 C ATOM 1525 C SER A 95 3.933 7.771 -14.906 1.00 0.00 C ATOM 1526 O SER A 95 4.799 8.577 -15.194 1.00 0.00 O ATOM 1527 CB SER A 95 3.892 6.240 -16.871 1.00 0.00 C ATOM 1528 OG SER A 95 4.966 6.944 -17.479 1.00 0.00 O ATOM 0 H SER A 95 2.118 5.372 -15.338 1.00 0.00 H new ATOM 0 HA SER A 95 4.987 5.901 -15.042 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.895 5.200 -17.196 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.940 6.669 -17.183 1.00 0.00 H new ATOM 0 HG SER A 95 5.335 7.591 -16.842 1.00 0.00 H new ATOM 1534 N GLU A 96 2.879 8.120 -14.208 1.00 0.00 N ATOM 1535 CA GLU A 96 2.710 9.531 -13.743 1.00 0.00 C ATOM 1536 C GLU A 96 2.952 9.603 -12.221 1.00 0.00 C ATOM 1537 O GLU A 96 2.114 9.186 -11.447 1.00 0.00 O ATOM 1538 CB GLU A 96 1.285 10.003 -14.041 1.00 0.00 C ATOM 1539 CG GLU A 96 1.207 11.515 -13.802 1.00 0.00 C ATOM 1540 CD GLU A 96 -0.238 11.988 -13.956 1.00 0.00 C ATOM 1541 OE1 GLU A 96 -1.055 11.605 -13.135 1.00 0.00 O ATOM 1542 OE2 GLU A 96 -0.502 12.725 -14.889 1.00 0.00 O ATOM 0 H GLU A 96 2.127 7.485 -13.940 1.00 0.00 H new ATOM 0 HA GLU A 96 3.425 10.168 -14.263 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.017 9.769 -15.071 1.00 0.00 H new ATOM 0 HB3 GLU A 96 0.573 9.482 -13.401 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.573 11.754 -12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.848 12.038 -14.511 1.00 0.00 H new ATOM 1549 N PRO A 97 4.089 10.107 -11.786 1.00 0.00 N ATOM 1550 CA PRO A 97 4.416 10.201 -10.334 1.00 0.00 C ATOM 1551 C PRO A 97 3.647 11.321 -9.622 1.00 0.00 C ATOM 1552 O PRO A 97 3.306 12.334 -10.207 1.00 0.00 O ATOM 1553 CB PRO A 97 5.933 10.445 -10.316 1.00 0.00 C ATOM 1554 CG PRO A 97 6.244 11.109 -11.622 1.00 0.00 C ATOM 1555 CD PRO A 97 5.176 10.649 -12.622 1.00 0.00 C ATOM 0 HA PRO A 97 4.126 9.301 -9.792 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.219 11.077 -9.476 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.480 9.508 -10.211 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.232 12.194 -11.516 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.240 10.834 -11.967 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.826 11.478 -13.237 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.569 9.892 -13.301 1.00 0.00 H new ATOM 1563 N ILE A 98 3.363 11.132 -8.359 1.00 0.00 N ATOM 1564 CA ILE A 98 2.607 12.162 -7.593 1.00 0.00 C ATOM 1565 C ILE A 98 3.543 13.268 -7.102 1.00 0.00 C ATOM 1566 O ILE A 98 4.622 13.018 -6.594 1.00 0.00 O ATOM 1567 CB ILE A 98 1.896 11.504 -6.412 1.00 0.00 C ATOM 1568 CG1 ILE A 98 2.901 10.734 -5.557 1.00 0.00 C ATOM 1569 CG2 ILE A 98 0.828 10.542 -6.936 1.00 0.00 C ATOM 1570 CD1 ILE A 98 2.146 10.011 -4.444 1.00 0.00 C ATOM 0 H ILE A 98 3.625 10.303 -7.825 1.00 0.00 H new ATOM 0 HA ILE A 98 1.865 12.615 -8.251 1.00 0.00 H new ATOM 0 HB ILE A 98 1.428 12.276 -5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.447 10.017 -6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 98 3.637 11.417 -5.132 1.00 0.00 H new ATOM 0 HG21 ILE A 98 0.319 10.071 -6.095 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.104 11.094 -7.536 1.00 0.00 H new ATOM 0 HG23 ILE A 98 1.299 9.775 -7.551 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.852 9.457 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 98 1.619 10.740 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.427 9.319 -4.882 1.00 0.00 H new