USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=17 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 51 THR OG1 : rot 105:sc= 0.0185 USER MOD Set 1.2: A 82 GLN :FLIP amide:sc= -0.0644 F(o=-0.59,f=-0.046) USER MOD Set 2.1: A 67 TYR OH : rot 30:sc= 0.613 USER MOD Set 2.2: A 93 LYS NZ :NH3+ -123:sc= -1.84 (180deg=-2.93) USER MOD Single : A 4 GLN : amide:sc= -0.0162 K(o=-0.016,f=-1.7!) USER MOD Single : A 6 THR OG1 : rot -128:sc= -1.87 USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= -0.0203 (180deg=-0.346) USER MOD Single : A 14 ASN : amide:sc= -2.68! C(o=-2.7!,f=-4.2!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.5) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.6) USER MOD Single : A 34 SER OG : rot -31:sc= 0.073 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -3.82 K(o=-3.8,f=-6.1!) USER MOD Single : A 45 THR OG1 : rot -122:sc= -2.02 USER MOD Single : A 49 LYS NZ :NH3+ 160:sc= -0.0859 (180deg=-0.533) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.0227 K(o=-0.023,f=-1.8!) USER MOD Single : A 66 SER OG : rot -100:sc= -0.604 USER MOD Single : A 71 SER OG : rot 40:sc= -2.16! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.69) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 86 ASN : amide:sc= -1.92 X(o=-1.9,f=-2.4!) USER MOD Single : A 87 LYS NZ :NH3+ 158:sc= -0.0847 (180deg=-0.583) USER MOD Single : A 88 ASN : amide:sc=-0.00072 X(o=-0.00072,f=0) USER MOD Single : A 89 SER OG : rot -109:sc= 1.06 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -11.505 5.125 -8.733 1.00 0.00 N ATOM 36 CA PRO A 3 -11.196 4.261 -7.564 1.00 0.00 C ATOM 37 C PRO A 3 -11.333 5.013 -6.239 1.00 0.00 C ATOM 38 O PRO A 3 -11.131 6.209 -6.166 1.00 0.00 O ATOM 39 CB PRO A 3 -9.754 3.813 -7.827 1.00 0.00 C ATOM 40 CG PRO A 3 -9.131 4.927 -8.615 1.00 0.00 C ATOM 41 CD PRO A 3 -10.272 5.632 -9.373 1.00 0.00 C ATOM 0 HA PRO A 3 -11.886 3.423 -7.465 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.218 3.644 -6.893 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.728 2.876 -8.383 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.616 5.626 -7.955 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.387 4.539 -9.311 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.196 6.716 -9.287 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.249 5.394 -10.437 1.00 0.00 H new ATOM 49 N GLN A 4 -11.680 4.317 -5.190 1.00 0.00 N ATOM 50 CA GLN A 4 -11.837 4.991 -3.874 1.00 0.00 C ATOM 51 C GLN A 4 -10.459 5.224 -3.258 1.00 0.00 C ATOM 52 O GLN A 4 -9.945 4.403 -2.522 1.00 0.00 O ATOM 53 CB GLN A 4 -12.681 4.104 -2.954 1.00 0.00 C ATOM 54 CG GLN A 4 -12.809 4.763 -1.582 1.00 0.00 C ATOM 55 CD GLN A 4 -13.809 3.980 -0.730 1.00 0.00 C ATOM 56 OE1 GLN A 4 -14.610 3.228 -1.251 1.00 0.00 O ATOM 57 NE2 GLN A 4 -13.794 4.123 0.566 1.00 0.00 N ATOM 0 H GLN A 4 -11.861 3.313 -5.190 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.336 5.952 -4.004 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.669 3.949 -3.388 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.219 3.122 -2.855 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.838 4.790 -1.088 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -13.140 5.796 -1.692 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -13.122 4.754 1.002 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -14.455 3.604 1.144 1.00 0.00 H new ATOM 66 N LEU A 5 -9.859 6.345 -3.560 1.00 0.00 N ATOM 67 CA LEU A 5 -8.511 6.654 -3.010 1.00 0.00 C ATOM 68 C LEU A 5 -8.640 7.085 -1.553 1.00 0.00 C ATOM 69 O LEU A 5 -9.598 7.728 -1.171 1.00 0.00 O ATOM 70 CB LEU A 5 -7.886 7.789 -3.824 1.00 0.00 C ATOM 71 CG LEU A 5 -7.826 7.392 -5.304 1.00 0.00 C ATOM 72 CD1 LEU A 5 -7.242 8.552 -6.114 1.00 0.00 C ATOM 73 CD2 LEU A 5 -6.944 6.143 -5.480 1.00 0.00 C ATOM 0 H LEU A 5 -10.250 7.064 -4.169 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.879 5.768 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.473 8.700 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -6.884 8.005 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.832 7.166 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.197 8.274 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.874 9.432 -5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.238 8.777 -5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.908 5.869 -6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.936 6.357 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.363 5.318 -4.905 1.00 0.00 H new ATOM 85 N THR A 6 -7.679 6.731 -0.737 1.00 0.00 N ATOM 86 CA THR A 6 -7.722 7.107 0.710 1.00 0.00 C ATOM 87 C THR A 6 -6.458 7.885 1.073 1.00 0.00 C ATOM 88 O THR A 6 -5.353 7.480 0.770 1.00 0.00 O ATOM 89 CB THR A 6 -7.808 5.838 1.556 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.015 5.159 1.246 1.00 0.00 O ATOM 91 CG2 THR A 6 -7.795 6.210 3.038 1.00 0.00 C ATOM 0 H THR A 6 -6.858 6.192 -1.014 1.00 0.00 H new ATOM 0 HA THR A 6 -8.594 7.732 0.902 1.00 0.00 H new ATOM 0 HB THR A 6 -6.956 5.192 1.342 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.504 4.967 2.073 1.00 0.00 H new ATOM 0 HG21 THR A 6 -7.856 5.304 3.641 1.00 0.00 H new ATOM 0 HG22 THR A 6 -6.872 6.740 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.648 6.852 3.260 1.00 0.00 H new ATOM 99 N LYS A 7 -6.621 9.010 1.715 1.00 0.00 N ATOM 100 CA LYS A 7 -5.446 9.840 2.095 1.00 0.00 C ATOM 101 C LYS A 7 -4.828 9.313 3.393 1.00 0.00 C ATOM 102 O LYS A 7 -5.506 8.778 4.248 1.00 0.00 O ATOM 103 CB LYS A 7 -5.900 11.285 2.299 1.00 0.00 C ATOM 104 CG LYS A 7 -6.387 11.862 0.969 1.00 0.00 C ATOM 105 CD LYS A 7 -6.862 13.300 1.179 1.00 0.00 C ATOM 106 CE LYS A 7 -7.296 13.898 -0.161 1.00 0.00 C ATOM 107 NZ LYS A 7 -8.487 13.163 -0.672 1.00 0.00 N ATOM 0 H LYS A 7 -7.525 9.391 1.994 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.700 9.792 1.302 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.700 11.325 3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.076 11.884 2.687 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.583 11.837 0.234 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.200 11.254 0.573 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.693 13.320 1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.061 13.898 1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.532 14.955 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.480 13.834 -0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.953 13.728 -1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.187 12.251 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.154 12.997 0.109 1.00 0.00 H new ATOM 121 N ILE A 8 -3.541 9.473 3.541 1.00 0.00 N ATOM 122 CA ILE A 8 -2.849 8.996 4.769 1.00 0.00 C ATOM 123 C ILE A 8 -3.383 9.753 5.989 1.00 0.00 C ATOM 124 O ILE A 8 -3.629 9.176 7.030 1.00 0.00 O ATOM 125 CB ILE A 8 -1.345 9.253 4.622 1.00 0.00 C ATOM 126 CG1 ILE A 8 -0.784 8.347 3.520 1.00 0.00 C ATOM 127 CG2 ILE A 8 -0.635 8.955 5.946 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.651 8.762 3.189 1.00 0.00 C ATOM 0 H ILE A 8 -2.934 9.920 2.854 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.031 7.930 4.904 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.179 10.297 4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.806 7.307 3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.407 8.415 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.434 9.139 5.835 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.036 9.601 6.727 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -0.797 7.912 6.219 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.045 8.115 2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.660 9.796 2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 8 1.271 8.671 4.081 1.00 0.00 H new ATOM 140 N VAL A 9 -3.555 11.042 5.870 1.00 0.00 N ATOM 141 CA VAL A 9 -4.064 11.839 7.020 1.00 0.00 C ATOM 142 C VAL A 9 -5.483 11.391 7.374 1.00 0.00 C ATOM 143 O VAL A 9 -5.935 11.553 8.490 1.00 0.00 O ATOM 144 CB VAL A 9 -4.066 13.324 6.643 1.00 0.00 C ATOM 145 CG1 VAL A 9 -5.098 13.582 5.542 1.00 0.00 C ATOM 146 CG2 VAL A 9 -4.406 14.164 7.876 1.00 0.00 C ATOM 0 H VAL A 9 -3.364 11.578 5.023 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.419 11.684 7.885 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.078 13.602 6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.093 14.640 5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.848 12.989 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.089 13.301 5.899 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.407 15.220 7.607 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.391 13.883 8.247 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.662 13.988 8.653 1.00 0.00 H new ATOM 156 N ASP A 10 -6.192 10.820 6.434 1.00 0.00 N ATOM 157 CA ASP A 10 -7.577 10.357 6.720 1.00 0.00 C ATOM 158 C ASP A 10 -7.522 9.075 7.552 1.00 0.00 C ATOM 159 O ASP A 10 -8.535 8.547 7.965 1.00 0.00 O ATOM 160 CB ASP A 10 -8.298 10.078 5.398 1.00 0.00 C ATOM 161 CG ASP A 10 -9.769 9.751 5.670 1.00 0.00 C ATOM 162 OD1 ASP A 10 -10.466 10.619 6.168 1.00 0.00 O ATOM 163 OD2 ASP A 10 -10.172 8.638 5.371 1.00 0.00 O ATOM 0 H ASP A 10 -5.868 10.656 5.481 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.115 11.126 7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.224 10.946 4.742 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.820 9.246 4.881 1.00 0.00 H new ATOM 168 N ILE A 11 -6.342 8.568 7.799 1.00 0.00 N ATOM 169 CA ILE A 11 -6.219 7.319 8.599 1.00 0.00 C ATOM 170 C ILE A 11 -6.566 7.611 10.058 1.00 0.00 C ATOM 171 O ILE A 11 -5.721 7.996 10.844 1.00 0.00 O ATOM 172 CB ILE A 11 -4.779 6.793 8.503 1.00 0.00 C ATOM 173 CG1 ILE A 11 -4.421 6.513 7.028 1.00 0.00 C ATOM 174 CG2 ILE A 11 -4.643 5.510 9.331 1.00 0.00 C ATOM 175 CD1 ILE A 11 -4.920 5.128 6.586 1.00 0.00 C ATOM 0 H ILE A 11 -5.459 8.967 7.480 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.906 6.567 8.211 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.094 7.544 8.895 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.862 7.281 6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.341 6.572 6.896 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.621 5.139 9.261 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.882 5.722 10.373 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.330 4.755 8.948 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.652 4.961 5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.459 4.360 7.207 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.003 5.080 6.695 1.00 0.00 H new ATOM 187 N VAL A 12 -7.811 7.424 10.420 1.00 0.00 N ATOM 188 CA VAL A 12 -8.255 7.680 11.825 1.00 0.00 C ATOM 189 C VAL A 12 -8.692 6.362 12.467 1.00 0.00 C ATOM 190 O VAL A 12 -8.734 6.237 13.675 1.00 0.00 O ATOM 191 CB VAL A 12 -9.437 8.652 11.812 1.00 0.00 C ATOM 192 CG1 VAL A 12 -8.948 10.043 11.411 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.487 8.176 10.803 1.00 0.00 C ATOM 0 H VAL A 12 -8.548 7.101 9.793 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.432 8.110 12.396 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.881 8.691 12.807 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.789 10.736 11.402 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.203 10.387 12.128 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.503 10.000 10.417 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.327 8.871 10.797 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.043 8.134 9.808 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.839 7.184 11.085 1.00 0.00 H new ATOM 203 N GLU A 13 -9.015 5.372 11.668 1.00 0.00 N ATOM 204 CA GLU A 13 -9.451 4.053 12.228 1.00 0.00 C ATOM 205 C GLU A 13 -8.832 2.912 11.418 1.00 0.00 C ATOM 206 O GLU A 13 -8.725 2.975 10.208 1.00 0.00 O ATOM 207 CB GLU A 13 -10.975 3.951 12.177 1.00 0.00 C ATOM 208 CG GLU A 13 -11.580 4.909 13.205 1.00 0.00 C ATOM 209 CD GLU A 13 -13.105 4.871 13.105 1.00 0.00 C ATOM 210 OE1 GLU A 13 -13.607 4.137 12.270 1.00 0.00 O ATOM 211 OE2 GLU A 13 -13.745 5.574 13.869 1.00 0.00 O ATOM 0 H GLU A 13 -8.995 5.421 10.649 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.118 3.978 13.263 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.334 4.197 11.178 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.290 2.929 12.386 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -11.264 4.628 14.210 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.219 5.922 13.029 1.00 0.00 H new ATOM 218 N ASN A 14 -8.416 1.867 12.088 1.00 0.00 N ATOM 219 CA ASN A 14 -7.789 0.712 11.379 1.00 0.00 C ATOM 220 C ASN A 14 -8.858 -0.304 10.973 1.00 0.00 C ATOM 221 O ASN A 14 -9.994 -0.238 11.401 1.00 0.00 O ATOM 222 CB ASN A 14 -6.771 0.037 12.302 1.00 0.00 C ATOM 223 CG ASN A 14 -7.469 -0.490 13.558 1.00 0.00 C ATOM 224 OD1 ASN A 14 -8.682 -0.553 13.616 1.00 0.00 O ATOM 225 ND2 ASN A 14 -6.746 -0.875 14.575 1.00 0.00 N ATOM 0 H ASN A 14 -8.484 1.765 13.101 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.288 1.078 10.483 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.281 -0.783 11.778 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.993 0.748 12.580 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.199 -1.229 15.418 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.729 -0.822 14.526 1.00 0.00 H new ATOM 232 N GLY A 15 -8.496 -1.242 10.138 1.00 0.00 N ATOM 233 CA GLY A 15 -9.474 -2.269 9.687 1.00 0.00 C ATOM 234 C GLY A 15 -10.349 -1.688 8.579 1.00 0.00 C ATOM 235 O GLY A 15 -11.388 -2.227 8.253 1.00 0.00 O ATOM 0 H GLY A 15 -7.559 -1.339 9.748 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.948 -3.152 9.324 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.094 -2.589 10.525 1.00 0.00 H new ATOM 239 N GLN A 16 -9.939 -0.590 7.995 1.00 0.00 N ATOM 240 CA GLN A 16 -10.750 0.033 6.906 1.00 0.00 C ATOM 241 C GLN A 16 -10.218 -0.417 5.545 1.00 0.00 C ATOM 242 O GLN A 16 -9.030 -0.395 5.290 1.00 0.00 O ATOM 243 CB GLN A 16 -10.666 1.557 7.013 1.00 0.00 C ATOM 244 CG GLN A 16 -11.490 2.189 5.891 1.00 0.00 C ATOM 245 CD GLN A 16 -11.608 3.695 6.126 1.00 0.00 C ATOM 246 OE1 GLN A 16 -12.601 4.164 6.647 1.00 0.00 O ATOM 247 NE2 GLN A 16 -10.626 4.479 5.771 1.00 0.00 N ATOM 0 H GLN A 16 -9.076 -0.098 8.226 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.789 -0.280 7.006 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.039 1.886 7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -9.628 1.881 6.944 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.018 1.997 4.927 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.482 1.738 5.856 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -9.792 4.086 5.334 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.693 5.484 5.931 1.00 0.00 H new ATOM 256 N TRP A 17 -11.098 -0.835 4.673 1.00 0.00 N ATOM 257 CA TRP A 17 -10.669 -1.303 3.323 1.00 0.00 C ATOM 258 C TRP A 17 -10.765 -0.155 2.318 1.00 0.00 C ATOM 259 O TRP A 17 -11.750 0.556 2.268 1.00 0.00 O ATOM 260 CB TRP A 17 -11.588 -2.441 2.880 1.00 0.00 C ATOM 261 CG TRP A 17 -11.316 -3.643 3.723 1.00 0.00 C ATOM 262 CD1 TRP A 17 -11.819 -3.855 4.960 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.485 -4.797 3.415 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.347 -5.066 5.433 1.00 0.00 N ATOM 265 CE2 TRP A 17 -10.521 -5.685 4.515 1.00 0.00 C ATOM 266 CE3 TRP A 17 -9.710 -5.155 2.297 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -9.813 -6.887 4.507 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -8.996 -6.364 2.286 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.047 -7.229 3.388 1.00 0.00 C ATOM 0 H TRP A 17 -12.103 -0.872 4.840 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.637 -1.650 3.369 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.632 -2.142 2.977 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.420 -2.673 1.828 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -12.481 -3.188 5.492 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -11.580 -5.454 6.347 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -9.664 -4.496 1.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -9.856 -7.549 5.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.404 -6.629 1.423 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.496 -8.158 3.373 1.00 0.00 H new ATOM 280 N ALA A 18 -9.753 0.021 1.509 1.00 0.00 N ATOM 281 CA ALA A 18 -9.787 1.117 0.498 1.00 0.00 C ATOM 282 C ALA A 18 -8.571 1.005 -0.424 1.00 0.00 C ATOM 283 O ALA A 18 -7.854 0.025 -0.409 1.00 0.00 O ATOM 284 CB ALA A 18 -9.771 2.479 1.201 1.00 0.00 C ATOM 0 H ALA A 18 -8.906 -0.547 1.505 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.700 1.028 -0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.796 3.274 0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -10.642 2.563 1.851 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.863 2.570 1.798 1.00 0.00 H new ATOM 290 N ASN A 19 -8.340 2.013 -1.230 1.00 0.00 N ATOM 291 CA ASN A 19 -7.177 1.995 -2.170 1.00 0.00 C ATOM 292 C ASN A 19 -6.114 2.965 -1.669 1.00 0.00 C ATOM 293 O ASN A 19 -6.423 3.940 -1.009 1.00 0.00 O ATOM 294 CB ASN A 19 -7.640 2.452 -3.549 1.00 0.00 C ATOM 295 CG ASN A 19 -8.738 1.515 -4.048 1.00 0.00 C ATOM 296 OD1 ASN A 19 -8.839 0.389 -3.606 1.00 0.00 O ATOM 297 ND2 ASN A 19 -9.573 1.941 -4.951 1.00 0.00 N ATOM 0 H ASN A 19 -8.914 2.855 -1.277 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.769 0.986 -2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.013 3.475 -3.500 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.802 2.452 -4.245 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.315 1.328 -5.289 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.485 2.888 -5.320 1.00 0.00 H new ATOM 304 N LEU A 20 -4.864 2.716 -1.976 1.00 0.00 N ATOM 305 CA LEU A 20 -3.782 3.639 -1.512 1.00 0.00 C ATOM 306 C LEU A 20 -2.835 3.935 -2.677 1.00 0.00 C ATOM 307 O LEU A 20 -2.212 3.049 -3.230 1.00 0.00 O ATOM 308 CB LEU A 20 -3.007 2.970 -0.362 1.00 0.00 C ATOM 309 CG LEU A 20 -2.368 4.036 0.548 1.00 0.00 C ATOM 310 CD1 LEU A 20 -1.495 4.981 -0.286 1.00 0.00 C ATOM 311 CD2 LEU A 20 -3.469 4.843 1.279 1.00 0.00 C ATOM 0 H LEU A 20 -4.547 1.917 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.217 4.574 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.680 2.341 0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.233 2.318 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.745 3.537 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.047 5.732 0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.707 4.410 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.109 5.474 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.005 5.593 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.107 5.336 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.071 4.168 1.888 1.00 0.00 H new ATOM 323 N LYS A 21 -2.714 5.188 -3.033 1.00 0.00 N ATOM 324 CA LYS A 21 -1.804 5.593 -4.143 1.00 0.00 C ATOM 325 C LYS A 21 -0.652 6.407 -3.558 1.00 0.00 C ATOM 326 O LYS A 21 -0.864 7.372 -2.849 1.00 0.00 O ATOM 327 CB LYS A 21 -2.578 6.459 -5.133 1.00 0.00 C ATOM 328 CG LYS A 21 -1.724 6.674 -6.385 1.00 0.00 C ATOM 329 CD LYS A 21 -2.512 7.466 -7.438 1.00 0.00 C ATOM 330 CE LYS A 21 -3.491 6.541 -8.174 1.00 0.00 C ATOM 331 NZ LYS A 21 -4.082 7.274 -9.330 1.00 0.00 N ATOM 0 H LYS A 21 -3.216 5.959 -2.593 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.418 4.710 -4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.519 5.977 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.827 7.418 -4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.812 7.211 -6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.420 5.711 -6.796 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.058 8.278 -6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.825 7.921 -8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.974 5.646 -8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.278 6.211 -7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.747 6.652 -9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.588 8.115 -8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.324 7.567 -9.979 1.00 0.00 H new ATOM 345 N ALA A 22 0.566 6.028 -3.835 1.00 0.00 N ATOM 346 CA ALA A 22 1.714 6.796 -3.275 1.00 0.00 C ATOM 347 C ALA A 22 3.012 6.358 -3.947 1.00 0.00 C ATOM 348 O ALA A 22 3.005 5.615 -4.909 1.00 0.00 O ATOM 349 CB ALA A 22 1.816 6.551 -1.773 1.00 0.00 C ATOM 0 H ALA A 22 0.814 5.229 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 22 1.552 7.858 -3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.657 7.115 -1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.895 6.875 -1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.969 5.488 -1.587 1.00 0.00 H new ATOM 355 N LYS A 23 4.132 6.828 -3.446 1.00 0.00 N ATOM 356 CA LYS A 23 5.456 6.463 -4.041 1.00 0.00 C ATOM 357 C LYS A 23 6.313 5.745 -3.004 1.00 0.00 C ATOM 358 O LYS A 23 6.348 6.108 -1.844 1.00 0.00 O ATOM 359 CB LYS A 23 6.165 7.736 -4.502 1.00 0.00 C ATOM 360 CG LYS A 23 7.489 7.372 -5.175 1.00 0.00 C ATOM 361 CD LYS A 23 8.160 8.645 -5.689 1.00 0.00 C ATOM 362 CE LYS A 23 9.479 8.284 -6.373 1.00 0.00 C ATOM 363 NZ LYS A 23 10.126 9.523 -6.890 1.00 0.00 N ATOM 0 H LYS A 23 4.184 7.455 -2.643 1.00 0.00 H new ATOM 0 HA LYS A 23 5.301 5.799 -4.891 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.531 8.286 -5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.347 8.392 -3.650 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.143 6.863 -4.467 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.313 6.681 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.502 9.158 -6.391 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.342 9.332 -4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.141 7.782 -5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.298 7.587 -7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.023 9.278 -7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.495 9.984 -7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.312 10.173 -6.100 1.00 0.00 H new ATOM 377 N VAL A 24 7.003 4.715 -3.419 1.00 0.00 N ATOM 378 CA VAL A 24 7.859 3.948 -2.467 1.00 0.00 C ATOM 379 C VAL A 24 9.236 4.611 -2.363 1.00 0.00 C ATOM 380 O VAL A 24 10.141 4.310 -3.118 1.00 0.00 O ATOM 381 CB VAL A 24 8.013 2.514 -2.979 1.00 0.00 C ATOM 382 CG1 VAL A 24 8.618 1.641 -1.881 1.00 0.00 C ATOM 383 CG2 VAL A 24 6.637 1.959 -3.361 1.00 0.00 C ATOM 0 H VAL A 24 7.010 4.371 -4.379 1.00 0.00 H new ATOM 0 HA VAL A 24 7.395 3.937 -1.481 1.00 0.00 H new ATOM 0 HB VAL A 24 8.667 2.510 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.727 0.620 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.596 2.033 -1.602 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.963 1.646 -1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.745 0.938 -3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.987 1.965 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.199 2.579 -4.143 1.00 0.00 H new ATOM 393 N ILE A 25 9.398 5.509 -1.427 1.00 0.00 N ATOM 394 CA ILE A 25 10.709 6.197 -1.261 1.00 0.00 C ATOM 395 C ILE A 25 11.744 5.207 -0.725 1.00 0.00 C ATOM 396 O ILE A 25 12.880 5.191 -1.156 1.00 0.00 O ATOM 397 CB ILE A 25 10.565 7.357 -0.273 1.00 0.00 C ATOM 398 CG1 ILE A 25 9.442 8.285 -0.746 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.881 8.139 -0.213 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.187 9.376 0.300 1.00 0.00 C ATOM 0 H ILE A 25 8.674 5.796 -0.768 1.00 0.00 H new ATOM 0 HA ILE A 25 11.034 6.581 -2.228 1.00 0.00 H new ATOM 0 HB ILE A 25 10.327 6.969 0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.712 8.740 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.531 7.711 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.781 8.966 0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.683 7.478 0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.117 8.531 -1.202 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.387 10.031 -0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.897 8.914 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.096 9.960 0.446 1.00 0.00 H new ATOM 412 N GLN A 26 11.361 4.393 0.233 1.00 0.00 N ATOM 413 CA GLN A 26 12.318 3.409 0.832 1.00 0.00 C ATOM 414 C GLN A 26 11.718 2.008 0.800 1.00 0.00 C ATOM 415 O GLN A 26 10.624 1.767 1.283 1.00 0.00 O ATOM 416 CB GLN A 26 12.600 3.798 2.284 1.00 0.00 C ATOM 417 CG GLN A 26 13.397 5.101 2.320 1.00 0.00 C ATOM 418 CD GLN A 26 14.785 4.875 1.718 1.00 0.00 C ATOM 419 OE1 GLN A 26 15.492 3.971 2.118 1.00 0.00 O ATOM 420 NE2 GLN A 26 15.207 5.661 0.766 1.00 0.00 N ATOM 0 H GLN A 26 10.420 4.369 0.627 1.00 0.00 H new ATOM 0 HA GLN A 26 13.243 3.417 0.256 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.663 3.918 2.827 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.158 3.005 2.782 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.870 5.876 1.763 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.489 5.454 3.347 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.614 6.420 0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.130 5.517 0.357 1.00 0.00 H new ATOM 429 N LEU A 27 12.446 1.082 0.230 1.00 0.00 N ATOM 430 CA LEU A 27 11.986 -0.324 0.133 1.00 0.00 C ATOM 431 C LEU A 27 13.014 -1.227 0.821 1.00 0.00 C ATOM 432 O LEU A 27 14.200 -1.137 0.572 1.00 0.00 O ATOM 433 CB LEU A 27 11.860 -0.693 -1.354 1.00 0.00 C ATOM 434 CG LEU A 27 11.748 -2.228 -1.527 1.00 0.00 C ATOM 435 CD1 LEU A 27 10.678 -2.569 -2.570 1.00 0.00 C ATOM 436 CD2 LEU A 27 13.093 -2.810 -1.987 1.00 0.00 C ATOM 0 H LEU A 27 13.364 1.253 -0.181 1.00 0.00 H new ATOM 0 HA LEU A 27 11.019 -0.452 0.620 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.982 -0.208 -1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 27 12.727 -0.322 -1.901 1.00 0.00 H new ATOM 0 HG LEU A 27 11.471 -2.660 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.610 -3.651 -2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.715 -2.177 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.947 -2.122 -3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.001 -3.890 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.376 -2.364 -2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.858 -2.590 -1.243 1.00 0.00 H new ATOM 448 N TRP A 28 12.559 -2.096 1.687 1.00 0.00 N ATOM 449 CA TRP A 28 13.488 -3.019 2.406 1.00 0.00 C ATOM 450 C TRP A 28 12.904 -4.431 2.402 1.00 0.00 C ATOM 451 O TRP A 28 11.839 -4.677 2.933 1.00 0.00 O ATOM 452 CB TRP A 28 13.667 -2.528 3.842 1.00 0.00 C ATOM 453 CG TRP A 28 14.485 -1.278 3.827 1.00 0.00 C ATOM 454 CD1 TRP A 28 13.992 -0.021 3.916 1.00 0.00 C ATOM 455 CD2 TRP A 28 15.930 -1.144 3.707 1.00 0.00 C ATOM 456 NE1 TRP A 28 15.045 0.876 3.863 1.00 0.00 N ATOM 457 CE2 TRP A 28 16.260 0.231 3.736 1.00 0.00 C ATOM 458 CE3 TRP A 28 16.975 -2.075 3.581 1.00 0.00 C ATOM 459 CZ2 TRP A 28 17.581 0.668 3.641 1.00 0.00 C ATOM 460 CZ3 TRP A 28 18.307 -1.640 3.485 1.00 0.00 C ATOM 461 CH2 TRP A 28 18.609 -0.272 3.516 1.00 0.00 C ATOM 0 H TRP A 28 11.574 -2.206 1.929 1.00 0.00 H new ATOM 0 HA TRP A 28 14.457 -3.035 1.908 1.00 0.00 H new ATOM 0 HB2 TRP A 28 12.696 -2.338 4.299 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.158 -3.293 4.444 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.948 0.240 4.013 1.00 0.00 H new ATOM 0 HE1 TRP A 28 14.937 1.889 3.912 1.00 0.00 H new ATOM 0 HE3 TRP A 28 16.753 -3.132 3.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 17.808 1.724 3.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.103 -2.364 3.387 1.00 0.00 H new ATOM 0 HH2 TRP A 28 19.635 0.056 3.443 1.00 0.00 H new ATOM 472 N GLU A 29 13.594 -5.360 1.792 1.00 0.00 N ATOM 473 CA GLU A 29 13.094 -6.765 1.730 1.00 0.00 C ATOM 474 C GLU A 29 13.685 -7.581 2.876 1.00 0.00 C ATOM 475 O GLU A 29 14.819 -7.385 3.269 1.00 0.00 O ATOM 476 CB GLU A 29 13.502 -7.390 0.396 1.00 0.00 C ATOM 477 CG GLU A 29 12.945 -8.813 0.305 1.00 0.00 C ATOM 478 CD GLU A 29 13.292 -9.407 -1.060 1.00 0.00 C ATOM 479 OE1 GLU A 29 14.097 -8.812 -1.756 1.00 0.00 O ATOM 480 OE2 GLU A 29 12.745 -10.448 -1.384 1.00 0.00 O ATOM 0 H GLU A 29 14.490 -5.203 1.330 1.00 0.00 H new ATOM 0 HA GLU A 29 12.008 -6.762 1.818 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.125 -6.787 -0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.588 -7.407 0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.363 -9.431 1.100 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.864 -8.802 0.445 1.00 0.00 H new ATOM 547 N SER A 34 7.276 -15.458 6.646 1.00 0.00 N ATOM 548 CA SER A 34 5.894 -14.997 6.955 1.00 0.00 C ATOM 549 C SER A 34 5.700 -13.579 6.426 1.00 0.00 C ATOM 550 O SER A 34 4.587 -13.111 6.280 1.00 0.00 O ATOM 551 CB SER A 34 5.688 -15.004 8.470 1.00 0.00 C ATOM 552 OG SER A 34 6.607 -14.103 9.074 1.00 0.00 O ATOM 0 HA SER A 34 5.173 -15.663 6.482 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.665 -14.714 8.711 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.835 -16.010 8.864 1.00 0.00 H new ATOM 0 HG SER A 34 7.430 -14.071 8.543 1.00 0.00 H new ATOM 558 N ILE A 35 6.777 -12.888 6.137 1.00 0.00 N ATOM 559 CA ILE A 35 6.673 -11.490 5.613 1.00 0.00 C ATOM 560 C ILE A 35 7.565 -11.347 4.376 1.00 0.00 C ATOM 561 O ILE A 35 8.725 -11.714 4.384 1.00 0.00 O ATOM 562 CB ILE A 35 7.122 -10.506 6.696 1.00 0.00 C ATOM 563 CG1 ILE A 35 6.224 -10.676 7.926 1.00 0.00 C ATOM 564 CG2 ILE A 35 6.985 -9.073 6.173 1.00 0.00 C ATOM 565 CD1 ILE A 35 6.797 -9.882 9.101 1.00 0.00 C ATOM 0 H ILE A 35 7.730 -13.236 6.243 1.00 0.00 H new ATOM 0 HA ILE A 35 5.640 -11.274 5.340 1.00 0.00 H new ATOM 0 HB ILE A 35 8.161 -10.701 6.960 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.215 -10.332 7.701 1.00 0.00 H new ATOM 0 HG13 ILE A 35 6.150 -11.731 8.190 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.305 -8.372 6.944 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.608 -8.948 5.288 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.944 -8.878 5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.154 -10.007 9.972 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.798 -10.247 9.333 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.848 -8.826 8.836 1.00 0.00 H new ATOM 577 N SER A 36 7.026 -10.812 3.317 1.00 0.00 N ATOM 578 CA SER A 36 7.820 -10.635 2.071 1.00 0.00 C ATOM 579 C SER A 36 8.781 -9.463 2.243 1.00 0.00 C ATOM 580 O SER A 36 9.973 -9.641 2.419 1.00 0.00 O ATOM 581 CB SER A 36 6.877 -10.347 0.906 1.00 0.00 C ATOM 582 OG SER A 36 7.633 -10.228 -0.293 1.00 0.00 O ATOM 0 H SER A 36 6.061 -10.487 3.261 1.00 0.00 H new ATOM 0 HA SER A 36 8.386 -11.544 1.868 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.145 -11.148 0.809 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.321 -9.428 1.092 1.00 0.00 H new ATOM 0 HG SER A 36 7.030 -10.045 -1.043 1.00 0.00 H new ATOM 588 N GLN A 37 8.273 -8.258 2.183 1.00 0.00 N ATOM 589 CA GLN A 37 9.153 -7.063 2.333 1.00 0.00 C ATOM 590 C GLN A 37 8.439 -5.988 3.143 1.00 0.00 C ATOM 591 O GLN A 37 7.233 -6.004 3.294 1.00 0.00 O ATOM 592 CB GLN A 37 9.498 -6.500 0.949 1.00 0.00 C ATOM 593 CG GLN A 37 8.221 -6.059 0.229 1.00 0.00 C ATOM 594 CD GLN A 37 8.570 -5.595 -1.187 1.00 0.00 C ATOM 595 OE1 GLN A 37 9.063 -4.500 -1.375 1.00 0.00 O ATOM 596 NE2 GLN A 37 8.331 -6.385 -2.198 1.00 0.00 N ATOM 0 H GLN A 37 7.285 -8.052 2.036 1.00 0.00 H new ATOM 0 HA GLN A 37 10.066 -7.360 2.849 1.00 0.00 H new ATOM 0 HB2 GLN A 37 10.178 -5.654 1.051 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.015 -7.256 0.359 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.510 -6.884 0.188 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.740 -5.251 0.780 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.917 -7.304 -2.040 1.00 0.00 H new ATOM 0 HE22 GLN A 37 8.558 -6.083 -3.146 1.00 0.00 H new ATOM 605 N VAL A 38 9.184 -5.047 3.657 1.00 0.00 N ATOM 606 CA VAL A 38 8.582 -3.941 4.456 1.00 0.00 C ATOM 607 C VAL A 38 9.145 -2.617 3.954 1.00 0.00 C ATOM 608 O VAL A 38 10.225 -2.563 3.398 1.00 0.00 O ATOM 609 CB VAL A 38 8.946 -4.121 5.932 1.00 0.00 C ATOM 610 CG1 VAL A 38 8.312 -5.412 6.451 1.00 0.00 C ATOM 611 CG2 VAL A 38 10.467 -4.208 6.085 1.00 0.00 C ATOM 0 H VAL A 38 10.198 -4.997 3.556 1.00 0.00 H new ATOM 0 HA VAL A 38 7.497 -3.951 4.350 1.00 0.00 H new ATOM 0 HB VAL A 38 8.575 -3.269 6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.568 -5.546 7.502 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.229 -5.353 6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.687 -6.258 5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.720 -4.336 7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 38 10.842 -5.058 5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.923 -3.291 5.711 1.00 0.00 H new ATOM 621 N GLY A 39 8.427 -1.550 4.136 1.00 0.00 N ATOM 622 CA GLY A 39 8.938 -0.240 3.656 1.00 0.00 C ATOM 623 C GLY A 39 7.945 0.860 4.003 1.00 0.00 C ATOM 624 O GLY A 39 7.005 0.651 4.747 1.00 0.00 O ATOM 0 H GLY A 39 7.515 -1.526 4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.905 -0.027 4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.095 -0.274 2.578 1.00 0.00 H new ATOM 628 N LEU A 40 8.150 2.037 3.470 1.00 0.00 N ATOM 629 CA LEU A 40 7.228 3.174 3.765 1.00 0.00 C ATOM 630 C LEU A 40 6.919 3.931 2.477 1.00 0.00 C ATOM 631 O LEU A 40 7.711 3.966 1.557 1.00 0.00 O ATOM 632 CB LEU A 40 7.892 4.098 4.797 1.00 0.00 C ATOM 633 CG LEU A 40 9.033 4.921 4.135 1.00 0.00 C ATOM 634 CD1 LEU A 40 8.541 6.328 3.762 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.217 5.047 5.105 1.00 0.00 C ATOM 0 H LEU A 40 8.920 2.260 2.840 1.00 0.00 H new ATOM 0 HA LEU A 40 6.289 2.801 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.148 4.772 5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.293 3.506 5.620 1.00 0.00 H new ATOM 0 HG LEU A 40 9.347 4.401 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.355 6.887 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.711 6.249 3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.208 6.847 4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.013 5.625 4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.890 5.552 6.014 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.589 4.054 5.356 1.00 0.00 H new ATOM 647 N LEU A 41 5.755 4.524 2.406 1.00 0.00 N ATOM 648 CA LEU A 41 5.349 5.272 1.179 1.00 0.00 C ATOM 649 C LEU A 41 5.384 6.767 1.464 1.00 0.00 C ATOM 650 O LEU A 41 5.380 7.194 2.603 1.00 0.00 O ATOM 651 CB LEU A 41 3.927 4.874 0.794 1.00 0.00 C ATOM 652 CG LEU A 41 3.825 3.352 0.698 1.00 0.00 C ATOM 653 CD1 LEU A 41 2.401 2.965 0.298 1.00 0.00 C ATOM 654 CD2 LEU A 41 4.819 2.828 -0.347 1.00 0.00 C ATOM 0 H LEU A 41 5.062 4.522 3.154 1.00 0.00 H new ATOM 0 HA LEU A 41 6.034 5.035 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.221 5.249 1.535 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.658 5.327 -0.160 1.00 0.00 H new ATOM 0 HG LEU A 41 4.064 2.911 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.325 1.880 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.700 3.331 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.161 3.408 -0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.742 1.743 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.590 3.266 -1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.833 3.103 -0.055 1.00 0.00 H new ATOM 666 N GLY A 42 5.426 7.566 0.429 1.00 0.00 N ATOM 667 CA GLY A 42 5.469 9.047 0.614 1.00 0.00 C ATOM 668 C GLY A 42 4.587 9.728 -0.428 1.00 0.00 C ATOM 669 O GLY A 42 4.654 9.435 -1.607 1.00 0.00 O ATOM 0 H GLY A 42 5.432 7.254 -0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.129 9.307 1.616 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.495 9.404 0.523 1.00 0.00 H new ATOM 673 N ASP A 43 3.758 10.640 0.005 1.00 0.00 N ATOM 674 CA ASP A 43 2.861 11.361 -0.941 1.00 0.00 C ATOM 675 C ASP A 43 2.557 12.752 -0.383 1.00 0.00 C ATOM 676 O ASP A 43 3.187 13.214 0.547 1.00 0.00 O ATOM 677 CB ASP A 43 1.555 10.584 -1.115 1.00 0.00 C ATOM 678 CG ASP A 43 0.840 10.459 0.233 1.00 0.00 C ATOM 679 OD1 ASP A 43 1.252 11.125 1.168 1.00 0.00 O ATOM 680 OD2 ASP A 43 -0.109 9.695 0.306 1.00 0.00 O ATOM 0 H ASP A 43 3.664 10.918 0.982 1.00 0.00 H new ATOM 0 HA ASP A 43 3.353 11.451 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.911 11.093 -1.832 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.762 9.593 -1.520 1.00 0.00 H new ATOM 685 N GLU A 44 1.589 13.417 -0.947 1.00 0.00 N ATOM 686 CA GLU A 44 1.223 14.774 -0.460 1.00 0.00 C ATOM 687 C GLU A 44 0.415 14.651 0.833 1.00 0.00 C ATOM 688 O GLU A 44 0.188 15.619 1.531 1.00 0.00 O ATOM 689 CB GLU A 44 0.392 15.486 -1.532 1.00 0.00 C ATOM 690 CG GLU A 44 -0.911 14.720 -1.776 1.00 0.00 C ATOM 691 CD GLU A 44 -1.681 15.378 -2.921 1.00 0.00 C ATOM 692 OE1 GLU A 44 -1.587 16.587 -3.054 1.00 0.00 O ATOM 693 OE2 GLU A 44 -2.354 14.661 -3.644 1.00 0.00 O ATOM 0 H GLU A 44 1.032 13.076 -1.730 1.00 0.00 H new ATOM 0 HA GLU A 44 2.126 15.352 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.171 16.505 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.962 15.556 -2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.694 13.680 -2.020 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.518 14.715 -0.871 1.00 0.00 H new ATOM 700 N THR A 45 -0.030 13.461 1.154 1.00 0.00 N ATOM 701 CA THR A 45 -0.835 13.264 2.395 1.00 0.00 C ATOM 702 C THR A 45 0.091 12.897 3.554 1.00 0.00 C ATOM 703 O THR A 45 -0.336 12.800 4.689 1.00 0.00 O ATOM 704 CB THR A 45 -1.842 12.133 2.171 1.00 0.00 C ATOM 705 OG1 THR A 45 -1.150 10.898 2.058 1.00 0.00 O ATOM 706 CG2 THR A 45 -2.630 12.399 0.888 1.00 0.00 C ATOM 0 H THR A 45 0.131 12.616 0.606 1.00 0.00 H new ATOM 0 HA THR A 45 -1.366 14.186 2.634 1.00 0.00 H new ATOM 0 HB THR A 45 -2.530 12.086 3.015 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.362 10.482 1.197 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.347 11.594 0.728 1.00 0.00 H new ATOM 0 HG22 THR A 45 -3.162 13.346 0.977 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.944 12.447 0.043 1.00 0.00 H new ATOM 714 N GLY A 46 1.361 12.703 3.281 1.00 0.00 N ATOM 715 CA GLY A 46 2.337 12.355 4.366 1.00 0.00 C ATOM 716 C GLY A 46 3.035 11.034 4.044 1.00 0.00 C ATOM 717 O GLY A 46 3.252 10.697 2.895 1.00 0.00 O ATOM 0 H GLY A 46 1.766 12.771 2.347 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.076 13.150 4.469 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.818 12.277 5.321 1.00 0.00 H new ATOM 721 N ILE A 47 3.394 10.289 5.061 1.00 0.00 N ATOM 722 CA ILE A 47 4.093 8.982 4.853 1.00 0.00 C ATOM 723 C ILE A 47 3.376 7.883 5.638 1.00 0.00 C ATOM 724 O ILE A 47 2.718 8.140 6.628 1.00 0.00 O ATOM 725 CB ILE A 47 5.541 9.100 5.344 1.00 0.00 C ATOM 726 CG1 ILE A 47 5.565 9.525 6.822 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.277 10.143 4.504 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.003 9.469 7.345 1.00 0.00 C ATOM 0 H ILE A 47 3.231 10.534 6.038 1.00 0.00 H new ATOM 0 HA ILE A 47 4.084 8.730 3.793 1.00 0.00 H new ATOM 0 HB ILE A 47 6.032 8.132 5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.167 10.534 6.928 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.926 8.867 7.411 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.307 10.229 4.851 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.271 9.838 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.779 11.107 4.603 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.021 9.770 8.392 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.384 8.452 7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.629 10.145 6.762 1.00 0.00 H new ATOM 740 N ILE A 48 3.504 6.655 5.210 1.00 0.00 N ATOM 741 CA ILE A 48 2.835 5.539 5.939 1.00 0.00 C ATOM 742 C ILE A 48 3.613 4.238 5.730 1.00 0.00 C ATOM 743 O ILE A 48 4.167 3.990 4.676 1.00 0.00 O ATOM 744 CB ILE A 48 1.397 5.383 5.440 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.722 4.247 6.209 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.390 5.067 3.943 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.785 4.289 5.959 1.00 0.00 C ATOM 0 H ILE A 48 4.042 6.377 4.389 1.00 0.00 H new ATOM 0 HA ILE A 48 2.816 5.767 7.005 1.00 0.00 H new ATOM 0 HB ILE A 48 0.855 6.314 5.604 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.128 3.287 5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.928 4.343 7.275 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.361 4.958 3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.871 5.879 3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.932 4.139 3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.267 3.479 6.507 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.184 5.245 6.299 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.980 4.173 4.893 1.00 0.00 H new ATOM 759 N LYS A 49 3.659 3.408 6.739 1.00 0.00 N ATOM 760 CA LYS A 49 4.403 2.123 6.629 1.00 0.00 C ATOM 761 C LYS A 49 3.525 1.070 5.960 1.00 0.00 C ATOM 762 O LYS A 49 2.315 1.102 6.066 1.00 0.00 O ATOM 763 CB LYS A 49 4.797 1.644 8.025 1.00 0.00 C ATOM 764 CG LYS A 49 5.831 2.605 8.609 1.00 0.00 C ATOM 765 CD LYS A 49 6.274 2.095 9.977 1.00 0.00 C ATOM 766 CE LYS A 49 7.340 3.026 10.555 1.00 0.00 C ATOM 767 NZ LYS A 49 6.763 4.388 10.739 1.00 0.00 N ATOM 0 H LYS A 49 3.209 3.568 7.640 1.00 0.00 H new ATOM 0 HA LYS A 49 5.299 2.277 6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.919 1.599 8.669 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.207 0.635 7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.689 2.684 7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.405 3.604 8.701 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.419 2.043 10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.671 1.084 9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.698 2.639 11.509 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.200 3.071 9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.340 4.920 11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.756 4.888 9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.790 4.307 11.097 1.00 0.00 H new ATOM 781 N PHE A 50 4.124 0.131 5.265 1.00 0.00 N ATOM 782 CA PHE A 50 3.318 -0.927 4.586 1.00 0.00 C ATOM 783 C PHE A 50 4.049 -2.266 4.676 1.00 0.00 C ATOM 784 O PHE A 50 5.265 -2.326 4.752 1.00 0.00 O ATOM 785 CB PHE A 50 3.106 -0.557 3.112 1.00 0.00 C ATOM 786 CG PHE A 50 4.393 -0.718 2.326 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.333 0.319 2.285 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.633 -1.908 1.628 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.514 0.164 1.545 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.810 -2.061 0.888 1.00 0.00 C ATOM 791 CZ PHE A 50 6.750 -1.026 0.845 1.00 0.00 C ATOM 0 H PHE A 50 5.133 0.054 5.141 1.00 0.00 H new ATOM 0 HA PHE A 50 2.349 -1.008 5.078 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.330 -1.190 2.681 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.755 0.472 3.038 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.149 1.237 2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.909 -2.708 1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.241 0.962 1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.993 -2.979 0.349 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.658 -1.144 0.272 1.00 0.00 H new ATOM 801 N THR A 51 3.303 -3.340 4.661 1.00 0.00 N ATOM 802 CA THR A 51 3.912 -4.699 4.737 1.00 0.00 C ATOM 803 C THR A 51 3.247 -5.604 3.704 1.00 0.00 C ATOM 804 O THR A 51 2.037 -5.652 3.596 1.00 0.00 O ATOM 805 CB THR A 51 3.697 -5.276 6.136 1.00 0.00 C ATOM 806 OG1 THR A 51 4.339 -4.441 7.087 1.00 0.00 O ATOM 807 CG2 THR A 51 4.290 -6.682 6.199 1.00 0.00 C ATOM 0 H THR A 51 2.285 -3.332 4.598 1.00 0.00 H new ATOM 0 HA THR A 51 4.981 -4.635 4.534 1.00 0.00 H new ATOM 0 HB THR A 51 2.631 -5.325 6.357 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.666 -3.915 7.568 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.138 -7.097 7.196 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.798 -7.318 5.463 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.358 -6.637 5.983 1.00 0.00 H new ATOM 815 N ILE A 52 4.032 -6.317 2.939 1.00 0.00 N ATOM 816 CA ILE A 52 3.464 -7.224 1.896 1.00 0.00 C ATOM 817 C ILE A 52 3.593 -8.675 2.346 1.00 0.00 C ATOM 818 O ILE A 52 4.652 -9.126 2.736 1.00 0.00 O ATOM 819 CB ILE A 52 4.224 -7.035 0.585 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.033 -5.594 0.102 1.00 0.00 C ATOM 821 CG2 ILE A 52 3.681 -8.011 -0.460 1.00 0.00 C ATOM 822 CD1 ILE A 52 4.958 -5.315 -1.084 1.00 0.00 C ATOM 0 H ILE A 52 5.051 -6.310 2.992 1.00 0.00 H new ATOM 0 HA ILE A 52 2.411 -6.982 1.749 1.00 0.00 H new ATOM 0 HB ILE A 52 5.286 -7.229 0.737 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.995 -5.434 -0.190 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.247 -4.898 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.222 -7.879 -1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.813 -9.033 -0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.621 -7.817 -0.622 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.817 -4.288 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.995 -5.457 -0.778 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.723 -6.001 -1.898 1.00 0.00 H new ATOM 834 N TRP A 53 2.514 -9.411 2.296 1.00 0.00 N ATOM 835 CA TRP A 53 2.560 -10.839 2.721 1.00 0.00 C ATOM 836 C TRP A 53 2.782 -11.730 1.497 1.00 0.00 C ATOM 837 O TRP A 53 2.286 -11.461 0.420 1.00 0.00 O ATOM 838 CB TRP A 53 1.234 -11.204 3.385 1.00 0.00 C ATOM 839 CG TRP A 53 1.082 -10.412 4.643 1.00 0.00 C ATOM 840 CD1 TRP A 53 0.570 -9.161 4.714 1.00 0.00 C ATOM 841 CD2 TRP A 53 1.433 -10.790 6.004 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.584 -8.748 6.034 1.00 0.00 N ATOM 843 CE2 TRP A 53 1.107 -9.716 6.868 1.00 0.00 C ATOM 844 CE3 TRP A 53 1.996 -11.948 6.569 1.00 0.00 C ATOM 845 CZ2 TRP A 53 1.334 -9.790 8.242 1.00 0.00 C ATOM 846 CZ3 TRP A 53 2.225 -12.026 7.952 1.00 0.00 C ATOM 847 CH2 TRP A 53 1.894 -10.949 8.787 1.00 0.00 C ATOM 0 H TRP A 53 1.602 -9.083 1.978 1.00 0.00 H new ATOM 0 HA TRP A 53 3.378 -10.987 3.426 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.405 -10.997 2.708 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.206 -12.271 3.607 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.210 -8.581 3.877 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.249 -7.839 6.353 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.254 -12.783 5.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.079 -8.957 8.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.658 -12.920 8.375 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.072 -11.015 9.850 1.00 0.00 H new ATOM 858 N LYS A 54 3.520 -12.793 1.659 1.00 0.00 N ATOM 859 CA LYS A 54 3.779 -13.712 0.517 1.00 0.00 C ATOM 860 C LYS A 54 2.473 -14.398 0.110 1.00 0.00 C ATOM 861 O LYS A 54 2.408 -15.094 -0.884 1.00 0.00 O ATOM 862 CB LYS A 54 4.813 -14.762 0.932 1.00 0.00 C ATOM 863 CG LYS A 54 6.173 -14.087 1.119 1.00 0.00 C ATOM 864 CD LYS A 54 7.226 -15.141 1.471 1.00 0.00 C ATOM 865 CE LYS A 54 8.586 -14.466 1.654 1.00 0.00 C ATOM 866 NZ LYS A 54 9.619 -15.496 1.958 1.00 0.00 N ATOM 0 H LYS A 54 3.957 -13.066 2.539 1.00 0.00 H new ATOM 0 HA LYS A 54 4.165 -13.145 -0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.504 -15.247 1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.882 -15.541 0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.459 -13.563 0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.114 -13.340 1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.942 -15.663 2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.284 -15.890 0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.857 -13.921 0.750 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.536 -13.737 2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.543 -15.035 2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.362 -15.998 2.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.674 -16.175 1.172 1.00 0.00 H new ATOM 919 N LEU A 58 2.817 -11.687 -4.748 1.00 0.00 N ATOM 920 CA LEU A 58 3.027 -10.582 -5.728 1.00 0.00 C ATOM 921 C LEU A 58 4.533 -10.308 -5.878 1.00 0.00 C ATOM 922 O LEU A 58 5.300 -10.520 -4.957 1.00 0.00 O ATOM 923 CB LEU A 58 2.323 -9.320 -5.213 1.00 0.00 C ATOM 924 CG LEU A 58 0.807 -9.424 -5.468 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.063 -8.459 -4.540 1.00 0.00 C ATOM 926 CD2 LEU A 58 0.481 -9.071 -6.930 1.00 0.00 C ATOM 0 HA LEU A 58 2.616 -10.864 -6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.514 -9.196 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.725 -8.439 -5.713 1.00 0.00 H new ATOM 0 HG LEU A 58 0.491 -10.448 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.009 -8.534 -4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.274 -8.717 -3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.394 -7.439 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.594 -9.150 -7.092 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.806 -8.052 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.000 -9.761 -7.595 1.00 0.00 H new ATOM 938 N PRO A 59 4.956 -9.844 -7.032 1.00 0.00 N ATOM 939 CA PRO A 59 6.395 -9.541 -7.306 1.00 0.00 C ATOM 940 C PRO A 59 6.909 -8.333 -6.509 1.00 0.00 C ATOM 941 O PRO A 59 6.147 -7.514 -6.035 1.00 0.00 O ATOM 942 CB PRO A 59 6.426 -9.268 -8.817 1.00 0.00 C ATOM 943 CG PRO A 59 5.047 -8.795 -9.147 1.00 0.00 C ATOM 944 CD PRO A 59 4.113 -9.555 -8.208 1.00 0.00 C ATOM 0 HA PRO A 59 7.048 -10.360 -7.003 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.173 -8.515 -9.068 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.680 -10.168 -9.377 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.957 -7.718 -9.002 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.803 -8.997 -10.190 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.242 -8.957 -7.939 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.741 -10.470 -8.668 1.00 0.00 H new ATOM 952 N LEU A 60 8.203 -8.238 -6.354 1.00 0.00 N ATOM 953 CA LEU A 60 8.795 -7.111 -5.580 1.00 0.00 C ATOM 954 C LEU A 60 8.527 -5.781 -6.286 1.00 0.00 C ATOM 955 O LEU A 60 8.608 -5.673 -7.494 1.00 0.00 O ATOM 956 CB LEU A 60 10.303 -7.330 -5.456 1.00 0.00 C ATOM 957 CG LEU A 60 10.576 -8.714 -4.852 1.00 0.00 C ATOM 958 CD1 LEU A 60 12.088 -8.943 -4.778 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.971 -8.801 -3.441 1.00 0.00 C ATOM 0 H LEU A 60 8.880 -8.899 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 60 8.340 -7.078 -4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.774 -7.251 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.742 -6.555 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 60 10.119 -9.478 -5.481 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.287 -9.925 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.513 -8.892 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.542 -8.175 -4.152 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.170 -9.787 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.420 -8.038 -2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.894 -8.640 -3.496 1.00 0.00 H new ATOM 971 N LEU A 61 8.203 -4.771 -5.524 1.00 0.00 N ATOM 972 CA LEU A 61 7.912 -3.432 -6.109 1.00 0.00 C ATOM 973 C LEU A 61 9.215 -2.731 -6.496 1.00 0.00 C ATOM 974 O LEU A 61 10.249 -2.934 -5.890 1.00 0.00 O ATOM 975 CB LEU A 61 7.161 -2.591 -5.071 1.00 0.00 C ATOM 976 CG LEU A 61 5.692 -3.016 -5.034 1.00 0.00 C ATOM 977 CD1 LEU A 61 5.591 -4.506 -4.684 1.00 0.00 C ATOM 978 CD2 LEU A 61 4.955 -2.190 -3.977 1.00 0.00 C ATOM 0 H LEU A 61 8.127 -4.819 -4.508 1.00 0.00 H new ATOM 0 HA LEU A 61 7.301 -3.551 -7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.613 -2.720 -4.087 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.238 -1.533 -5.321 1.00 0.00 H new ATOM 0 HG LEU A 61 5.241 -2.848 -6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.543 -4.804 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.117 -5.093 -5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.041 -4.682 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.907 -2.489 -3.947 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.409 -2.360 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.023 -1.132 -4.230 1.00 0.00 H new ATOM 990 N GLU A 62 9.168 -1.903 -7.507 1.00 0.00 N ATOM 991 CA GLU A 62 10.394 -1.182 -7.948 1.00 0.00 C ATOM 992 C GLU A 62 10.617 0.034 -7.047 1.00 0.00 C ATOM 993 O GLU A 62 9.793 0.924 -6.963 1.00 0.00 O ATOM 994 CB GLU A 62 10.211 -0.732 -9.400 1.00 0.00 C ATOM 995 CG GLU A 62 11.530 -0.173 -9.937 1.00 0.00 C ATOM 996 CD GLU A 62 12.544 -1.307 -10.083 1.00 0.00 C ATOM 997 OE1 GLU A 62 12.150 -2.454 -9.946 1.00 0.00 O ATOM 998 OE2 GLU A 62 13.699 -1.011 -10.342 1.00 0.00 O ATOM 0 H GLU A 62 8.328 -1.696 -8.047 1.00 0.00 H new ATOM 0 HA GLU A 62 11.261 -1.839 -7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.885 -1.572 -10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.432 0.028 -9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.367 0.309 -10.901 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.916 0.589 -9.260 1.00 0.00 H new ATOM 1005 N GLN A 63 11.727 0.064 -6.361 1.00 0.00 N ATOM 1006 CA GLN A 63 12.026 1.195 -5.438 1.00 0.00 C ATOM 1007 C GLN A 63 12.171 2.508 -6.212 1.00 0.00 C ATOM 1008 O GLN A 63 12.833 2.576 -7.230 1.00 0.00 O ATOM 1009 CB GLN A 63 13.332 0.893 -4.698 1.00 0.00 C ATOM 1010 CG GLN A 63 13.636 2.023 -3.715 1.00 0.00 C ATOM 1011 CD GLN A 63 14.824 1.630 -2.836 1.00 0.00 C ATOM 1012 OE1 GLN A 63 15.138 0.464 -2.702 1.00 0.00 O ATOM 1013 NE2 GLN A 63 15.507 2.563 -2.231 1.00 0.00 N ATOM 0 H GLN A 63 12.448 -0.656 -6.402 1.00 0.00 H new ATOM 0 HA GLN A 63 11.203 1.304 -4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.249 -0.054 -4.165 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.150 0.787 -5.411 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.860 2.941 -4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.762 2.225 -3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 63 15.244 3.542 -2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.304 2.313 -1.646 1.00 0.00 H new ATOM 1022 N GLY A 64 11.560 3.558 -5.721 1.00 0.00 N ATOM 1023 CA GLY A 64 11.657 4.880 -6.404 1.00 0.00 C ATOM 1024 C GLY A 64 10.620 4.978 -7.520 1.00 0.00 C ATOM 1025 O GLY A 64 10.823 5.665 -8.502 1.00 0.00 O ATOM 0 H GLY A 64 10.996 3.553 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.501 5.682 -5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.658 5.012 -6.816 1.00 0.00 H new ATOM 1029 N GLU A 65 9.507 4.293 -7.385 1.00 0.00 N ATOM 1030 CA GLU A 65 8.455 4.342 -8.450 1.00 0.00 C ATOM 1031 C GLU A 65 7.064 4.479 -7.828 1.00 0.00 C ATOM 1032 O GLU A 65 6.824 4.091 -6.695 1.00 0.00 O ATOM 1033 CB GLU A 65 8.514 3.061 -9.285 1.00 0.00 C ATOM 1034 CG GLU A 65 9.829 3.015 -10.068 1.00 0.00 C ATOM 1035 CD GLU A 65 9.866 4.157 -11.085 1.00 0.00 C ATOM 1036 OE1 GLU A 65 8.805 4.661 -11.420 1.00 0.00 O ATOM 1037 OE2 GLU A 65 10.953 4.515 -11.509 1.00 0.00 O ATOM 0 H GLU A 65 9.283 3.703 -6.584 1.00 0.00 H new ATOM 0 HA GLU A 65 8.642 5.208 -9.085 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.435 2.189 -8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.669 3.024 -9.972 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.673 3.097 -9.384 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.925 2.057 -10.579 1.00 0.00 H new ATOM 1044 N SER A 66 6.149 5.040 -8.576 1.00 0.00 N ATOM 1045 CA SER A 66 4.761 5.225 -8.073 1.00 0.00 C ATOM 1046 C SER A 66 3.981 3.923 -8.225 1.00 0.00 C ATOM 1047 O SER A 66 4.131 3.205 -9.197 1.00 0.00 O ATOM 1048 CB SER A 66 4.077 6.336 -8.873 1.00 0.00 C ATOM 1049 OG SER A 66 4.511 7.596 -8.378 1.00 0.00 O ATOM 0 H SER A 66 6.309 5.380 -9.524 1.00 0.00 H new ATOM 0 HA SER A 66 4.789 5.502 -7.019 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.321 6.243 -9.931 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.994 6.250 -8.787 1.00 0.00 H new ATOM 0 HG SER A 66 3.829 7.965 -7.779 1.00 0.00 H new ATOM 1055 N TYR A 67 3.144 3.613 -7.269 1.00 0.00 N ATOM 1056 CA TYR A 67 2.345 2.357 -7.342 1.00 0.00 C ATOM 1057 C TYR A 67 0.931 2.614 -6.825 1.00 0.00 C ATOM 1058 O TYR A 67 0.710 3.408 -5.923 1.00 0.00 O ATOM 1059 CB TYR A 67 3.016 1.270 -6.488 1.00 0.00 C ATOM 1060 CG TYR A 67 4.126 0.622 -7.283 1.00 0.00 C ATOM 1061 CD1 TYR A 67 3.807 -0.205 -8.365 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.466 0.849 -6.946 1.00 0.00 C ATOM 1063 CE1 TYR A 67 4.826 -0.808 -9.109 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.485 0.245 -7.690 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.164 -0.584 -8.772 1.00 0.00 C ATOM 1066 OH TYR A 67 7.169 -1.179 -9.507 1.00 0.00 O ATOM 0 H TYR A 67 2.980 4.180 -6.437 1.00 0.00 H new ATOM 0 HA TYR A 67 2.293 2.023 -8.378 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.416 1.706 -5.573 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.282 0.521 -6.190 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.773 -0.378 -8.626 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.713 1.490 -6.112 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.579 -1.447 -9.944 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.519 0.418 -7.430 1.00 0.00 H new ATOM 0 HH TYR A 67 6.869 -1.302 -10.432 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.024 1.925 -7.396 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.447 2.073 -6.976 1.00 0.00 C ATOM 1078 C LEU A 68 -1.894 0.781 -6.295 1.00 0.00 C ATOM 1079 O LEU A 68 -1.861 -0.287 -6.881 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.308 2.342 -8.217 1.00 0.00 C ATOM 1081 CG LEU A 68 -3.797 2.267 -7.863 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.101 3.202 -6.688 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.620 2.696 -9.082 1.00 0.00 C ATOM 0 H LEU A 68 0.127 1.254 -8.149 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.556 2.905 -6.280 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.074 3.326 -8.623 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.075 1.613 -8.993 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.054 1.246 -7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.161 3.144 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.510 2.902 -5.822 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.848 4.226 -6.963 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.682 2.646 -8.840 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.358 3.718 -9.357 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.407 2.030 -9.918 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.313 0.876 -5.058 1.00 0.00 N ATOM 1096 CA LEU A 69 -2.768 -0.332 -4.310 1.00 0.00 C ATOM 1097 C LEU A 69 -4.294 -0.343 -4.264 1.00 0.00 C ATOM 1098 O LEU A 69 -4.919 0.658 -3.975 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.223 -0.280 -2.882 1.00 0.00 C ATOM 1100 CG LEU A 69 -0.700 -0.113 -2.912 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.168 -0.063 -1.476 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.060 -1.290 -3.660 1.00 0.00 C ATOM 0 H LEU A 69 -2.359 1.748 -4.531 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.404 -1.231 -4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.678 0.549 -2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.487 -1.193 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.448 0.814 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.915 0.056 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.617 0.780 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.423 -0.989 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.023 -1.165 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.309 -2.222 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.438 -1.321 -4.682 1.00 0.00 H new ATOM 1114 N ARG A 70 -4.897 -1.471 -4.557 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.391 -1.564 -4.546 1.00 0.00 C ATOM 1116 C ARG A 70 -6.843 -2.735 -3.673 1.00 0.00 C ATOM 1117 O ARG A 70 -6.162 -3.740 -3.554 1.00 0.00 O ATOM 1118 CB ARG A 70 -6.897 -1.776 -5.973 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.636 -0.515 -6.796 1.00 0.00 C ATOM 1120 CD ARG A 70 -7.034 -0.756 -8.254 1.00 0.00 C ATOM 1121 NE ARG A 70 -8.505 -0.980 -8.337 1.00 0.00 N ATOM 1122 CZ ARG A 70 -9.055 -1.300 -9.479 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -8.320 -1.417 -10.553 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -10.344 -1.499 -9.549 1.00 0.00 N ATOM 0 H ARG A 70 -4.415 -2.335 -4.804 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.799 -0.638 -4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.394 -2.630 -6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.963 -2.003 -5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.204 0.321 -6.388 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.582 -0.243 -6.737 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.751 0.101 -8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.501 -1.621 -8.650 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.083 -0.884 -7.502 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.314 -1.259 -10.502 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.753 -1.667 -11.442 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.921 -1.405 -8.713 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.774 -1.749 -10.440 1.00 0.00 H new ATOM 1138 N SER A 71 -7.998 -2.594 -3.071 1.00 0.00 N ATOM 1139 CA SER A 71 -8.561 -3.664 -2.194 1.00 0.00 C ATOM 1140 C SER A 71 -7.544 -4.069 -1.125 1.00 0.00 C ATOM 1141 O SER A 71 -7.175 -5.222 -1.018 1.00 0.00 O ATOM 1142 CB SER A 71 -8.953 -4.882 -3.043 1.00 0.00 C ATOM 1143 OG SER A 71 -7.981 -5.096 -4.056 1.00 0.00 O ATOM 0 H SER A 71 -8.585 -1.764 -3.153 1.00 0.00 H new ATOM 0 HA SER A 71 -9.450 -3.278 -1.695 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.034 -5.766 -2.411 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.932 -4.722 -3.494 1.00 0.00 H new ATOM 0 HG SER A 71 -7.086 -4.944 -3.688 1.00 0.00 H new ATOM 1149 N VAL A 72 -7.103 -3.127 -0.321 1.00 0.00 N ATOM 1150 CA VAL A 72 -6.120 -3.439 0.768 1.00 0.00 C ATOM 1151 C VAL A 72 -6.765 -3.172 2.126 1.00 0.00 C ATOM 1152 O VAL A 72 -7.798 -2.532 2.221 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.870 -2.570 0.619 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -4.108 -2.993 -0.637 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.266 -1.093 0.500 1.00 0.00 C ATOM 0 H VAL A 72 -7.385 -2.148 -0.374 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.833 -4.488 0.695 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.238 -2.699 1.497 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.216 -2.376 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.816 -4.040 -0.550 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.747 -2.865 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.369 -0.483 0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.903 -0.956 -0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.808 -0.788 1.395 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.162 -3.673 3.176 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.721 -3.488 4.551 1.00 0.00 C ATOM 1167 C VAL A 73 -5.760 -2.647 5.392 1.00 0.00 C ATOM 1168 O VAL A 73 -4.556 -2.819 5.344 1.00 0.00 O ATOM 1169 CB VAL A 73 -6.906 -4.863 5.203 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -5.540 -5.499 5.497 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -7.685 -4.697 6.508 1.00 0.00 C ATOM 0 H VAL A 73 -5.295 -4.209 3.138 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.681 -2.975 4.490 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.456 -5.512 4.522 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.685 -6.475 5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.986 -5.618 4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.978 -4.856 6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.820 -5.671 6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.131 -4.043 7.182 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.660 -4.258 6.296 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.289 -1.729 6.154 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.424 -0.857 6.998 1.00 0.00 C ATOM 1183 C VAL A 74 -5.124 -1.558 8.322 1.00 0.00 C ATOM 1184 O VAL A 74 -5.982 -1.704 9.171 1.00 0.00 O ATOM 1185 CB VAL A 74 -6.153 0.462 7.256 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -5.304 1.350 8.166 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -6.383 1.174 5.919 1.00 0.00 C ATOM 0 H VAL A 74 -7.289 -1.545 6.228 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.483 -0.659 6.485 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.109 0.264 7.740 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.826 2.289 8.348 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.132 0.841 9.114 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.347 1.554 7.685 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.903 2.116 6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.423 1.372 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.987 0.541 5.269 1.00 0.00 H new ATOM 1197 N GLY A 75 -3.907 -2.001 8.497 1.00 0.00 N ATOM 1198 CA GLY A 75 -3.530 -2.709 9.755 1.00 0.00 C ATOM 1199 C GLY A 75 -3.082 -1.700 10.812 1.00 0.00 C ATOM 1200 O GLY A 75 -3.026 -0.510 10.569 1.00 0.00 O ATOM 0 H GLY A 75 -3.153 -1.902 7.817 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.379 -3.284 10.126 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.727 -3.419 9.555 1.00 0.00 H new ATOM 1204 N GLU A 76 -2.762 -2.176 11.990 1.00 0.00 N ATOM 1205 CA GLU A 76 -2.314 -1.272 13.094 1.00 0.00 C ATOM 1206 C GLU A 76 -0.815 -1.457 13.318 1.00 0.00 C ATOM 1207 O GLU A 76 -0.316 -2.566 13.360 1.00 0.00 O ATOM 1208 CB GLU A 76 -3.078 -1.630 14.371 1.00 0.00 C ATOM 1209 CG GLU A 76 -2.747 -3.066 14.791 1.00 0.00 C ATOM 1210 CD GLU A 76 -3.677 -3.488 15.930 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -4.046 -2.629 16.716 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -4.002 -4.661 15.999 1.00 0.00 O ATOM 0 H GLU A 76 -2.793 -3.165 12.236 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.512 -0.233 12.831 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.813 -0.938 15.170 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.150 -1.529 14.204 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.863 -3.741 13.943 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.707 -3.133 15.112 1.00 0.00 H new ATOM 1219 N TYR A 77 -0.089 -0.375 13.450 1.00 0.00 N ATOM 1220 CA TYR A 77 1.391 -0.463 13.661 1.00 0.00 C ATOM 1221 C TYR A 77 1.733 -0.064 15.097 1.00 0.00 C ATOM 1222 O TYR A 77 1.102 0.792 15.686 1.00 0.00 O ATOM 1223 CB TYR A 77 2.097 0.470 12.673 1.00 0.00 C ATOM 1224 CG TYR A 77 3.594 0.320 12.819 1.00 0.00 C ATOM 1225 CD1 TYR A 77 4.202 -0.911 12.532 1.00 0.00 C ATOM 1226 CD2 TYR A 77 4.375 1.402 13.245 1.00 0.00 C ATOM 1227 CE1 TYR A 77 5.586 -1.057 12.672 1.00 0.00 C ATOM 1228 CE2 TYR A 77 5.760 1.254 13.385 1.00 0.00 C ATOM 1229 CZ TYR A 77 6.364 0.025 13.099 1.00 0.00 C ATOM 1230 OH TYR A 77 7.729 -0.121 13.238 1.00 0.00 O ATOM 0 H TYR A 77 -0.461 0.574 13.420 1.00 0.00 H new ATOM 0 HA TYR A 77 1.726 -1.487 13.492 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.795 0.233 11.653 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.804 1.503 12.860 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.601 -1.746 12.203 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.908 2.351 13.466 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.054 -2.005 12.451 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.362 2.088 13.714 1.00 0.00 H new ATOM 0 HH TYR A 77 8.119 0.725 13.542 1.00 0.00 H new ATOM 1240 N ASN A 78 2.728 -0.694 15.665 1.00 0.00 N ATOM 1241 CA ASN A 78 3.127 -0.381 17.067 1.00 0.00 C ATOM 1242 C ASN A 78 3.752 1.013 17.133 1.00 0.00 C ATOM 1243 O ASN A 78 4.905 1.170 17.473 1.00 0.00 O ATOM 1244 CB ASN A 78 4.148 -1.424 17.528 1.00 0.00 C ATOM 1245 CG ASN A 78 4.547 -1.153 18.979 1.00 0.00 C ATOM 1246 OD1 ASN A 78 5.653 -0.733 19.247 1.00 0.00 O ATOM 1247 ND2 ASN A 78 3.686 -1.381 19.933 1.00 0.00 N ATOM 0 H ASN A 78 3.285 -1.418 15.212 1.00 0.00 H new ATOM 0 HA ASN A 78 2.250 -0.403 17.714 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.725 -2.425 17.438 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.029 -1.392 16.887 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.943 -1.206 20.904 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.756 -1.734 19.707 1.00 0.00 H new ATOM 1254 N ASP A 79 2.982 2.023 16.811 1.00 0.00 N ATOM 1255 CA ASP A 79 3.482 3.430 16.845 1.00 0.00 C ATOM 1256 C ASP A 79 2.528 4.296 16.018 1.00 0.00 C ATOM 1257 O ASP A 79 2.416 5.487 16.230 1.00 0.00 O ATOM 1258 CB ASP A 79 4.911 3.507 16.268 1.00 0.00 C ATOM 1259 CG ASP A 79 5.198 4.909 15.707 1.00 0.00 C ATOM 1260 OD1 ASP A 79 5.354 5.823 16.500 1.00 0.00 O ATOM 1261 OD2 ASP A 79 5.253 5.041 14.495 1.00 0.00 O ATOM 0 H ASP A 79 2.009 1.928 16.520 1.00 0.00 H new ATOM 0 HA ASP A 79 3.517 3.789 17.874 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.636 3.266 17.046 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.030 2.764 15.480 1.00 0.00 H new ATOM 1266 N ARG A 80 1.845 3.706 15.073 1.00 0.00 N ATOM 1267 CA ARG A 80 0.906 4.499 14.234 1.00 0.00 C ATOM 1268 C ARG A 80 0.001 3.551 13.439 1.00 0.00 C ATOM 1269 O ARG A 80 -0.575 2.627 13.979 1.00 0.00 O ATOM 1270 CB ARG A 80 1.705 5.383 13.267 1.00 0.00 C ATOM 1271 CG ARG A 80 0.828 6.539 12.774 1.00 0.00 C ATOM 1272 CD ARG A 80 1.552 7.294 11.658 1.00 0.00 C ATOM 1273 NE ARG A 80 2.750 7.976 12.219 1.00 0.00 N ATOM 1274 CZ ARG A 80 3.527 8.680 11.443 1.00 0.00 C ATOM 1275 NH1 ARG A 80 3.270 8.778 10.165 1.00 0.00 N ATOM 1276 NH2 ARG A 80 4.568 9.285 11.946 1.00 0.00 N ATOM 0 H ARG A 80 1.898 2.713 14.848 1.00 0.00 H new ATOM 0 HA ARG A 80 0.291 5.130 14.875 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.592 5.774 13.766 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.051 4.791 12.420 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.125 6.156 12.409 1.00 0.00 H new ATOM 0 HG3 ARG A 80 0.604 7.216 13.599 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.849 6.602 10.870 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.883 8.025 11.205 1.00 0.00 H new ATOM 0 HE ARG A 80 2.964 7.893 13.213 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.459 8.303 9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.881 9.330 9.563 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.772 9.206 12.942 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.178 9.837 11.343 1.00 0.00 H new ATOM 1290 N PHE A 81 -0.130 3.786 12.155 1.00 0.00 N ATOM 1291 CA PHE A 81 -0.999 2.922 11.297 1.00 0.00 C ATOM 1292 C PHE A 81 -0.232 2.509 10.041 1.00 0.00 C ATOM 1293 O PHE A 81 0.655 3.202 9.584 1.00 0.00 O ATOM 1294 CB PHE A 81 -2.245 3.709 10.889 1.00 0.00 C ATOM 1295 CG PHE A 81 -3.087 3.977 12.112 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -3.887 2.959 12.645 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -3.071 5.241 12.715 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -4.668 3.203 13.779 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -3.852 5.485 13.851 1.00 0.00 C ATOM 1300 CZ PHE A 81 -4.653 4.466 14.382 1.00 0.00 C ATOM 0 H PHE A 81 0.334 4.548 11.661 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.289 2.032 11.855 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.958 4.649 10.418 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.820 3.147 10.153 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -3.901 1.984 12.180 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.456 6.028 12.304 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.283 2.416 14.190 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.837 6.459 14.318 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.259 4.655 15.256 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.569 1.376 9.483 1.00 0.00 N ATOM 1311 CA GLN A 82 0.132 0.896 8.255 1.00 0.00 C ATOM 1312 C GLN A 82 -0.864 0.165 7.355 1.00 0.00 C ATOM 1313 O GLN A 82 -1.925 -0.236 7.789 1.00 0.00 O ATOM 1314 CB GLN A 82 1.255 -0.063 8.655 1.00 0.00 C ATOM 1315 CG GLN A 82 0.673 -1.234 9.454 1.00 0.00 C ATOM 1316 CD GLN A 82 1.806 -2.157 9.904 1.00 0.00 C ATOM 1317 OE1 GLN A 82 2.806 -2.383 9.097 1.00 0.00 O flip ATOM 1318 NE2 GLN A 82 1.780 -2.680 11.001 1.00 0.00 N flip ATOM 0 H GLN A 82 -1.304 0.759 9.827 1.00 0.00 H new ATOM 0 HA GLN A 82 0.552 1.746 7.718 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.764 -0.434 7.765 1.00 0.00 H new ATOM 0 HB3 GLN A 82 2.000 0.463 9.252 1.00 0.00 H new ATOM 0 HG2 GLN A 82 0.127 -0.861 10.321 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.040 -1.787 8.842 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.998 -2.503 11.632 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.540 -3.296 11.291 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.525 -0.013 6.101 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.440 -0.723 5.152 1.00 0.00 C ATOM 1329 C VAL A 83 -0.842 -2.086 4.811 1.00 0.00 C ATOM 1330 O VAL A 83 0.331 -2.208 4.519 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.610 0.111 3.877 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -2.585 1.259 4.153 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.255 0.684 3.447 1.00 0.00 C ATOM 0 H VAL A 83 0.353 0.306 5.691 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.418 -0.861 5.614 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.001 -0.521 3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.710 1.856 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.550 0.852 4.455 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.190 1.888 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.381 1.276 2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.141 1.317 4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.440 -0.133 3.253 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.645 -3.118 4.873 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.145 -4.499 4.586 1.00 0.00 C ATOM 1345 C GLN A 84 -1.666 -4.977 3.234 1.00 0.00 C ATOM 1346 O GLN A 84 -2.839 -4.871 2.933 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.647 -5.438 5.681 1.00 0.00 C ATOM 1348 CG GLN A 84 -0.991 -5.056 7.005 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.514 -5.961 8.119 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -2.232 -6.907 7.864 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.189 -5.701 9.355 1.00 0.00 N ATOM 0 H GLN A 84 -2.635 -3.063 5.112 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.055 -4.493 4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.732 -5.371 5.766 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.410 -6.471 5.428 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.092 -5.150 6.926 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -1.204 -4.013 7.240 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.586 -4.906 9.567 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.538 -6.292 10.109 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.798 -5.515 2.418 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.224 -6.016 1.079 1.00 0.00 C ATOM 1362 C VAL A 85 -1.405 -7.530 1.159 1.00 0.00 C ATOM 1363 O VAL A 85 -0.538 -8.248 1.632 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.145 -5.686 0.048 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -0.523 -6.299 -1.302 1.00 0.00 C ATOM 1366 CG2 VAL A 85 -0.021 -4.168 -0.088 1.00 0.00 C ATOM 0 H VAL A 85 0.194 -5.629 2.624 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.161 -5.544 0.783 1.00 0.00 H new ATOM 0 HB VAL A 85 0.810 -6.098 0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.247 -6.063 -2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.608 -7.381 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.478 -5.890 -1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.748 -3.930 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.975 -3.753 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.252 -3.737 0.875 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.529 -8.024 0.705 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.787 -9.493 0.758 1.00 0.00 C ATOM 1378 C ASN A 86 -3.578 -9.918 -0.480 1.00 0.00 C ATOM 1379 O ASN A 86 -3.961 -9.104 -1.298 1.00 0.00 O ATOM 1380 CB ASN A 86 -3.598 -9.824 2.014 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.056 -9.027 3.201 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -2.082 -9.415 3.816 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -3.651 -7.918 3.545 1.00 0.00 N ATOM 0 H ASN A 86 -3.282 -7.469 0.298 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.837 -10.026 0.785 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.649 -9.586 1.853 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.542 -10.892 2.224 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.299 -7.373 4.332 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.468 -7.596 3.027 1.00 0.00 H new ATOM 1390 N LYS A 87 -3.818 -11.195 -0.613 1.00 0.00 N ATOM 1391 CA LYS A 87 -4.578 -11.719 -1.787 1.00 0.00 C ATOM 1392 C LYS A 87 -5.754 -10.798 -2.117 1.00 0.00 C ATOM 1393 O LYS A 87 -6.192 -10.017 -1.298 1.00 0.00 O ATOM 1394 CB LYS A 87 -5.103 -13.117 -1.454 1.00 0.00 C ATOM 1395 CG LYS A 87 -5.686 -13.758 -2.714 1.00 0.00 C ATOM 1396 CD LYS A 87 -6.086 -15.202 -2.419 1.00 0.00 C ATOM 1397 CE LYS A 87 -6.661 -15.836 -3.686 1.00 0.00 C ATOM 1398 NZ LYS A 87 -5.608 -15.887 -4.739 1.00 0.00 N ATOM 0 H LYS A 87 -3.516 -11.908 0.051 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.916 -11.762 -2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.297 -13.735 -1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.866 -13.055 -0.678 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.554 -13.192 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.953 -13.731 -3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -5.220 -15.768 -2.076 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.824 -15.231 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.023 -16.841 -3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.515 -15.258 -4.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.850 -16.619 -5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.547 -14.964 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.692 -16.114 -4.303 1.00 0.00 H new ATOM 1412 N ASN A 88 -6.251 -10.886 -3.323 1.00 0.00 N ATOM 1413 CA ASN A 88 -7.390 -10.028 -3.754 1.00 0.00 C ATOM 1414 C ASN A 88 -6.859 -8.628 -4.053 1.00 0.00 C ATOM 1415 O ASN A 88 -7.432 -7.885 -4.824 1.00 0.00 O ATOM 1416 CB ASN A 88 -8.456 -9.965 -2.642 1.00 0.00 C ATOM 1417 CG ASN A 88 -9.838 -9.722 -3.256 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -10.494 -10.646 -3.699 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -10.306 -8.506 -3.303 1.00 0.00 N ATOM 0 H ASN A 88 -5.908 -11.528 -4.038 1.00 0.00 H new ATOM 0 HA ASN A 88 -7.852 -10.447 -4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.459 -10.897 -2.076 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.215 -9.167 -1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.223 -8.328 -3.712 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -9.755 -7.733 -2.931 1.00 0.00 H new ATOM 1426 N SER A 89 -5.762 -8.268 -3.443 1.00 0.00 N ATOM 1427 CA SER A 89 -5.184 -6.919 -3.678 1.00 0.00 C ATOM 1428 C SER A 89 -4.547 -6.863 -5.064 1.00 0.00 C ATOM 1429 O SER A 89 -4.141 -7.868 -5.614 1.00 0.00 O ATOM 1430 CB SER A 89 -4.119 -6.635 -2.622 1.00 0.00 C ATOM 1431 OG SER A 89 -3.020 -7.516 -2.814 1.00 0.00 O ATOM 0 H SER A 89 -5.241 -8.854 -2.790 1.00 0.00 H new ATOM 0 HA SER A 89 -5.976 -6.172 -3.615 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.787 -5.599 -2.694 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.536 -6.768 -1.624 1.00 0.00 H new ATOM 0 HG SER A 89 -2.999 -8.176 -2.089 1.00 0.00 H new ATOM 1437 N SER A 90 -4.460 -5.685 -5.633 1.00 0.00 N ATOM 1438 CA SER A 90 -3.851 -5.536 -6.992 1.00 0.00 C ATOM 1439 C SER A 90 -2.844 -4.385 -6.976 1.00 0.00 C ATOM 1440 O SER A 90 -2.981 -3.437 -6.226 1.00 0.00 O ATOM 1441 CB SER A 90 -4.948 -5.231 -8.010 1.00 0.00 C ATOM 1442 OG SER A 90 -5.813 -6.353 -8.113 1.00 0.00 O ATOM 0 H SER A 90 -4.787 -4.815 -5.212 1.00 0.00 H new ATOM 0 HA SER A 90 -3.344 -6.462 -7.265 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.511 -4.349 -7.703 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.507 -5.006 -8.981 1.00 0.00 H new ATOM 0 HG SER A 90 -6.520 -6.162 -8.764 1.00 0.00 H new ATOM 1448 N ILE A 91 -1.834 -4.467 -7.805 1.00 0.00 N ATOM 1449 CA ILE A 91 -0.799 -3.388 -7.864 1.00 0.00 C ATOM 1450 C ILE A 91 -0.592 -2.972 -9.316 1.00 0.00 C ATOM 1451 O ILE A 91 -0.402 -3.804 -10.183 1.00 0.00 O ATOM 1452 CB ILE A 91 0.522 -3.920 -7.307 1.00 0.00 C ATOM 1453 CG1 ILE A 91 0.340 -4.273 -5.831 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.601 -2.844 -7.448 1.00 0.00 C ATOM 1455 CD1 ILE A 91 1.569 -5.031 -5.330 1.00 0.00 C ATOM 0 H ILE A 91 -1.680 -5.242 -8.450 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.130 -2.533 -7.275 1.00 0.00 H new ATOM 0 HB ILE A 91 0.824 -4.810 -7.860 1.00 0.00 H new ATOM 0 HG12 ILE A 91 0.196 -3.365 -5.245 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.554 -4.882 -5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.544 -3.220 -7.052 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.726 -2.589 -8.500 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.303 -1.955 -6.892 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.438 -5.282 -4.277 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.693 -5.946 -5.909 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.454 -4.406 -5.446 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.623 -1.690 -9.590 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.423 -1.206 -10.992 1.00 0.00 C ATOM 1469 C GLU A 92 0.697 -0.163 -11.004 1.00 0.00 C ATOM 1470 O GLU A 92 0.717 0.756 -10.208 1.00 0.00 O ATOM 1471 CB GLU A 92 -1.725 -0.585 -11.505 1.00 0.00 C ATOM 1472 CG GLU A 92 -1.569 -0.207 -12.979 1.00 0.00 C ATOM 1473 CD GLU A 92 -1.420 -1.477 -13.819 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -1.811 -2.530 -13.342 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -0.912 -1.377 -14.924 1.00 0.00 O ATOM 0 H GLU A 92 -0.779 -0.955 -8.900 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.148 -2.039 -11.639 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.548 -1.290 -11.385 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.974 0.298 -10.917 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.436 0.363 -13.313 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.697 0.433 -13.111 1.00 0.00 H new ATOM 1482 N LYS A 93 1.637 -0.315 -11.898 1.00 0.00 N ATOM 1483 CA LYS A 93 2.774 0.645 -11.970 1.00 0.00 C ATOM 1484 C LYS A 93 2.351 1.910 -12.714 1.00 0.00 C ATOM 1485 O LYS A 93 1.777 1.853 -13.785 1.00 0.00 O ATOM 1486 CB LYS A 93 3.938 -0.018 -12.706 1.00 0.00 C ATOM 1487 CG LYS A 93 5.142 0.925 -12.715 1.00 0.00 C ATOM 1488 CD LYS A 93 6.325 0.231 -13.389 1.00 0.00 C ATOM 1489 CE LYS A 93 7.531 1.169 -13.389 1.00 0.00 C ATOM 1490 NZ LYS A 93 7.950 1.438 -11.984 1.00 0.00 N ATOM 0 H LYS A 93 1.665 -1.068 -12.585 1.00 0.00 H new ATOM 0 HA LYS A 93 3.080 0.919 -10.960 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.202 -0.957 -12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.645 -0.260 -13.728 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.894 1.844 -13.246 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.404 1.207 -11.695 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.568 -0.692 -12.862 1.00 0.00 H new ATOM 0 HD3 LYS A 93 6.065 -0.045 -14.411 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.354 0.721 -13.946 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.279 2.104 -13.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.937 2.463 -11.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.294 0.966 -11.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.912 1.073 -11.833 1.00 0.00 H new ATOM 1504 N LEU A 94 2.634 3.057 -12.151 1.00 0.00 N ATOM 1505 CA LEU A 94 2.251 4.343 -12.811 1.00 0.00 C ATOM 1506 C LEU A 94 3.440 4.901 -13.595 1.00 0.00 C ATOM 1507 O LEU A 94 4.562 4.923 -13.127 1.00 0.00 O ATOM 1508 CB LEU A 94 1.816 5.350 -11.737 1.00 0.00 C ATOM 1509 CG LEU A 94 0.357 5.090 -11.330 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -0.607 5.481 -12.471 1.00 0.00 C ATOM 1511 CD2 LEU A 94 0.182 3.604 -10.990 1.00 0.00 C ATOM 0 H LEU A 94 3.116 3.159 -11.258 1.00 0.00 H new ATOM 0 HA LEU A 94 1.427 4.166 -13.502 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.465 5.267 -10.865 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.920 6.366 -12.117 1.00 0.00 H new ATOM 0 HG LEU A 94 0.122 5.699 -10.457 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.634 5.289 -12.161 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.489 6.540 -12.700 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.379 4.891 -13.358 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.852 3.416 -10.701 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.430 2.999 -11.862 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.843 3.339 -10.165 1.00 0.00 H new ATOM 1523 N SER A 95 3.186 5.359 -14.790 1.00 0.00 N ATOM 1524 CA SER A 95 4.269 5.928 -15.636 1.00 0.00 C ATOM 1525 C SER A 95 4.478 7.399 -15.277 1.00 0.00 C ATOM 1526 O SER A 95 5.359 8.052 -15.800 1.00 0.00 O ATOM 1527 CB SER A 95 3.868 5.816 -17.105 1.00 0.00 C ATOM 1528 OG SER A 95 3.757 4.443 -17.455 1.00 0.00 O ATOM 0 H SER A 95 2.261 5.362 -15.220 1.00 0.00 H new ATOM 0 HA SER A 95 5.195 5.379 -15.464 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.919 6.325 -17.275 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.610 6.306 -17.735 1.00 0.00 H new ATOM 0 HG SER A 95 3.498 4.365 -18.397 1.00 0.00 H new ATOM 1534 N GLU A 96 3.665 7.927 -14.388 1.00 0.00 N ATOM 1535 CA GLU A 96 3.795 9.362 -13.979 1.00 0.00 C ATOM 1536 C GLU A 96 4.130 9.436 -12.478 1.00 0.00 C ATOM 1537 O GLU A 96 3.245 9.471 -11.645 1.00 0.00 O ATOM 1538 CB GLU A 96 2.467 10.080 -14.236 1.00 0.00 C ATOM 1539 CG GLU A 96 2.668 11.589 -14.076 1.00 0.00 C ATOM 1540 CD GLU A 96 3.451 12.131 -15.275 1.00 0.00 C ATOM 1541 OE1 GLU A 96 2.968 11.988 -16.386 1.00 0.00 O ATOM 1542 OE2 GLU A 96 4.517 12.683 -15.059 1.00 0.00 O ATOM 0 H GLU A 96 2.911 7.419 -13.926 1.00 0.00 H new ATOM 0 HA GLU A 96 4.589 9.838 -14.555 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.107 9.854 -15.240 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.708 9.727 -13.538 1.00 0.00 H new ATOM 0 HG2 GLU A 96 1.702 12.089 -14.003 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.207 11.799 -13.152 1.00 0.00 H new ATOM 1549 N PRO A 97 5.398 9.458 -12.136 1.00 0.00 N ATOM 1550 CA PRO A 97 5.851 9.526 -10.710 1.00 0.00 C ATOM 1551 C PRO A 97 5.265 10.729 -9.961 1.00 0.00 C ATOM 1552 O PRO A 97 5.024 11.775 -10.533 1.00 0.00 O ATOM 1553 CB PRO A 97 7.385 9.641 -10.808 1.00 0.00 C ATOM 1554 CG PRO A 97 7.739 9.116 -12.164 1.00 0.00 C ATOM 1555 CD PRO A 97 6.539 9.405 -13.066 1.00 0.00 C ATOM 0 HA PRO A 97 5.518 8.655 -10.146 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.709 10.675 -10.690 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.873 9.063 -10.023 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.637 9.601 -12.546 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.946 8.047 -12.124 1.00 0.00 H new ATOM 0 HD2 PRO A 97 6.661 10.346 -13.602 1.00 0.00 H new ATOM 0 HD3 PRO A 97 6.407 8.625 -13.816 1.00 0.00 H new ATOM 1563 N ILE A 98 5.027 10.578 -8.682 1.00 0.00 N ATOM 1564 CA ILE A 98 4.445 11.693 -7.877 1.00 0.00 C ATOM 1565 C ILE A 98 5.562 12.458 -7.170 1.00 0.00 C ATOM 1566 O ILE A 98 6.407 11.882 -6.513 1.00 0.00 O ATOM 1567 CB ILE A 98 3.488 11.110 -6.836 1.00 0.00 C ATOM 1568 CG1 ILE A 98 2.328 10.421 -7.558 1.00 0.00 C ATOM 1569 CG2 ILE A 98 2.948 12.235 -5.946 1.00 0.00 C ATOM 1570 CD1 ILE A 98 1.516 9.601 -6.555 1.00 0.00 C ATOM 0 H ILE A 98 5.213 9.723 -8.158 1.00 0.00 H new ATOM 0 HA ILE A 98 3.906 12.375 -8.535 1.00 0.00 H new ATOM 0 HB ILE A 98 4.015 10.387 -6.214 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.691 11.165 -8.036 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.710 9.774 -8.348 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.266 11.817 -5.205 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.778 12.728 -5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.416 12.961 -6.560 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.690 9.111 -7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.157 8.847 -6.098 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.121 10.260 -5.781 1.00 0.00 H new