USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 762 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: B 7 LYS NZ :NH3+ -171:sc= 2.5 (180deg=1.06) USER MOD Set 1.2: B 43 ASN : amide:sc= 0.998 K(o=3.5,f=-11!) USER MOD Set 2.1: A 46 MET CE :methyl 174:sc= -0.866 (180deg=-1.08) USER MOD Set 2.2: B 24 HIS :FLIP no HD1:sc= -0.0346 F(o=-1.7,f=-0.9) USER MOD Set 3.1: A 24 HIS : no HD1:sc= -0.055 X(o=-1.1,f=-0.97) USER MOD Set 3.2: B 46 MET CE :methyl -154:sc= -1.06 (180deg=-1.97) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= -0.396! (180deg=-0.694!) USER MOD Single : A 8 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.2!) USER MOD Single : A 9 LYS NZ :NH3+ 160:sc= -0.052 (180deg=-0.432) USER MOD Single : A 12 ASN : amide:sc=-0.000421 X(o=-0.00042,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.19) USER MOD Single : A 14 LYS NZ :NH3+ -162:sc= 1.2 (180deg=1.05) USER MOD Single : A 15 LYS NZ :NH3+ 160:sc= -0.0333 (180deg=-0.409) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= 1.18 (180deg=0.859) USER MOD Single : A 35 SER OG : rot -80:sc= 0.79 USER MOD Single : A 40 LYS NZ :NH3+ 129:sc= 0.00867 (180deg=-0.29) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 44 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.219) USER MOD Single : B 8 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : B 9 LYS NZ :NH3+ -166:sc= -0.0349 (180deg=-0.258) USER MOD Single : B 12 ASN : amide:sc= -0.0315 X(o=-0.032,f=0) USER MOD Single : B 13 LYS NZ :NH3+ -164:sc= 2.49 (180deg=1.96) USER MOD Single : B 14 LYS NZ :NH3+ 172:sc= 1.36 (180deg=1.28) USER MOD Single : B 15 LYS NZ :NH3+ -144:sc= -0.237 (180deg=-1.77!) USER MOD Single : B 19 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ -161:sc= 1.2 (180deg=0.9) USER MOD Single : B 35 SER OG : rot -85:sc= 1.22 USER MOD Single : B 40 LYS NZ :NH3+ 174:sc= 1.28 (180deg=1.21) USER MOD Single : B 44 LYS NZ :NH3+ -173:sc=-0.00609 (180deg=-0.0378) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 16.200 -13.407 3.477 1.00 0.00 N ATOM 60 CA GLN A 5 16.855 -12.127 3.266 1.00 0.00 C ATOM 61 C GLN A 5 16.050 -11.282 2.298 1.00 0.00 C ATOM 62 O GLN A 5 16.055 -10.059 2.376 1.00 0.00 O ATOM 63 CB GLN A 5 18.286 -12.298 2.768 1.00 0.00 C ATOM 64 CG GLN A 5 19.159 -13.124 3.694 1.00 0.00 C ATOM 65 CD GLN A 5 20.609 -13.156 3.265 1.00 0.00 C ATOM 66 OE1 GLN A 5 20.930 -13.069 2.076 1.00 0.00 O ATOM 67 NE2 GLN A 5 21.495 -13.279 4.214 1.00 0.00 N ATOM 0 HA GLN A 5 16.906 -11.616 4.228 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.266 -12.770 1.786 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.737 -11.314 2.640 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.093 -12.719 4.704 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.775 -14.143 3.734 1.00 0.00 H new ATOM 0 HE21 GLN A 5 21.195 -13.348 5.186 1.00 0.00 H new ATOM 0 HE22 GLN A 5 22.488 -13.306 3.984 1.00 0.00 H new ATOM 76 N LEU A 6 15.338 -11.951 1.410 1.00 0.00 N ATOM 77 CA LEU A 6 14.475 -11.293 0.444 1.00 0.00 C ATOM 78 C LEU A 6 13.338 -10.580 1.190 1.00 0.00 C ATOM 79 O LEU A 6 13.003 -9.432 0.894 1.00 0.00 O ATOM 80 CB LEU A 6 13.970 -12.348 -0.578 1.00 0.00 C ATOM 81 CG LEU A 6 13.074 -11.897 -1.755 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.629 -11.688 -1.331 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.632 -10.640 -2.412 1.00 0.00 C ATOM 0 H LEU A 6 15.341 -12.968 1.337 1.00 0.00 H new ATOM 0 HA LEU A 6 15.014 -10.530 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.846 -12.837 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.420 -13.106 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 6 13.080 -12.704 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.039 -11.372 -2.192 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.226 -12.622 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.584 -10.920 -0.559 1.00 0.00 H new ATOM 0 HD21 LEU A 6 12.985 -10.343 -3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.678 -9.835 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.634 -10.842 -2.792 1.00 0.00 H new ATOM 95 N LYS A 7 12.774 -11.268 2.173 1.00 0.00 N ATOM 96 CA LYS A 7 11.757 -10.708 3.043 1.00 0.00 C ATOM 97 C LYS A 7 12.283 -9.500 3.783 1.00 0.00 C ATOM 98 O LYS A 7 11.586 -8.506 3.907 1.00 0.00 O ATOM 99 CB LYS A 7 11.239 -11.773 4.018 1.00 0.00 C ATOM 100 CG LYS A 7 9.878 -12.312 3.646 1.00 0.00 C ATOM 101 CD LYS A 7 8.781 -11.333 4.069 1.00 0.00 C ATOM 102 CE LYS A 7 8.367 -11.493 5.551 1.00 0.00 C ATOM 103 NZ LYS A 7 9.468 -11.342 6.547 1.00 0.00 N ATOM 0 H LYS A 7 13.013 -12.236 2.388 1.00 0.00 H new ATOM 0 HA LYS A 7 10.921 -10.378 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.951 -12.598 4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.192 -11.346 5.020 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.828 -12.480 2.570 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.718 -13.277 4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.128 -10.313 3.902 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.906 -11.480 3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.595 -10.757 5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.917 -12.477 5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.070 -11.348 7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.139 -12.130 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.963 -10.442 6.383 1.00 0.00 H new ATOM 117 N ASN A 8 13.529 -9.583 4.221 1.00 0.00 N ATOM 118 CA ASN A 8 14.184 -8.484 4.934 1.00 0.00 C ATOM 119 C ASN A 8 14.280 -7.259 4.015 1.00 0.00 C ATOM 120 O ASN A 8 14.006 -6.146 4.443 1.00 0.00 O ATOM 121 CB ASN A 8 15.584 -8.932 5.421 1.00 0.00 C ATOM 122 CG ASN A 8 16.348 -7.918 6.294 1.00 0.00 C ATOM 123 OD1 ASN A 8 16.200 -6.697 6.183 1.00 0.00 O ATOM 124 ND2 ASN A 8 17.178 -8.428 7.166 1.00 0.00 N ATOM 0 H ASN A 8 14.117 -10.407 4.096 1.00 0.00 H new ATOM 0 HA ASN A 8 13.595 -8.210 5.809 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.472 -9.857 5.986 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.194 -9.163 4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.721 -7.814 7.773 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.283 -9.440 7.239 1.00 0.00 H new ATOM 131 N LYS A 9 14.628 -7.491 2.740 1.00 0.00 N ATOM 132 CA LYS A 9 14.699 -6.414 1.735 1.00 0.00 C ATOM 133 C LYS A 9 13.356 -5.726 1.625 1.00 0.00 C ATOM 134 O LYS A 9 13.263 -4.499 1.688 1.00 0.00 O ATOM 135 CB LYS A 9 15.054 -6.958 0.347 1.00 0.00 C ATOM 136 CG LYS A 9 16.401 -7.640 0.229 1.00 0.00 C ATOM 137 CD LYS A 9 17.542 -6.698 0.558 1.00 0.00 C ATOM 138 CE LYS A 9 18.878 -7.367 0.318 1.00 0.00 C ATOM 139 NZ LYS A 9 19.074 -7.706 -1.105 1.00 0.00 N ATOM 0 H LYS A 9 14.865 -8.415 2.378 1.00 0.00 H new ATOM 0 HA LYS A 9 15.474 -5.720 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.282 -7.667 0.047 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.023 -6.133 -0.364 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.434 -8.498 0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.527 -8.023 -0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.465 -5.799 -0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.470 -6.382 1.599 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.680 -6.706 0.648 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.944 -8.273 0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 20.088 -7.840 -1.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.562 -8.584 -1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 18.710 -6.934 -1.699 1.00 0.00 H new ATOM 153 N ILE A 10 12.320 -6.541 1.471 1.00 0.00 N ATOM 154 CA ILE A 10 10.951 -6.078 1.358 1.00 0.00 C ATOM 155 C ILE A 10 10.565 -5.258 2.574 1.00 0.00 C ATOM 156 O ILE A 10 10.072 -4.137 2.437 1.00 0.00 O ATOM 157 CB ILE A 10 9.980 -7.273 1.162 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.263 -7.929 -0.186 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.520 -6.840 1.259 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.412 -9.123 -0.492 1.00 0.00 C ATOM 0 H ILE A 10 12.413 -7.556 1.421 1.00 0.00 H new ATOM 0 HA ILE A 10 10.876 -5.438 0.479 1.00 0.00 H new ATOM 0 HB ILE A 10 10.148 -7.993 1.963 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.121 -7.188 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.310 -8.229 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.873 -7.706 1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.334 -6.406 2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.309 -6.098 0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.684 -9.523 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.570 -9.887 0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.362 -8.829 -0.499 1.00 0.00 H new ATOM 172 N GLU A 11 10.837 -5.801 3.748 1.00 0.00 N ATOM 173 CA GLU A 11 10.556 -5.129 5.000 1.00 0.00 C ATOM 174 C GLU A 11 11.291 -3.808 5.082 1.00 0.00 C ATOM 175 O GLU A 11 10.684 -2.785 5.314 1.00 0.00 O ATOM 176 CB GLU A 11 10.932 -6.005 6.185 1.00 0.00 C ATOM 177 CG GLU A 11 10.094 -7.251 6.318 1.00 0.00 C ATOM 178 CD GLU A 11 10.521 -8.106 7.465 1.00 0.00 C ATOM 179 OE1 GLU A 11 10.433 -7.648 8.624 1.00 0.00 O ATOM 180 OE2 GLU A 11 10.915 -9.266 7.241 1.00 0.00 O ATOM 0 H GLU A 11 11.260 -6.723 3.858 1.00 0.00 H new ATOM 0 HA GLU A 11 9.484 -4.935 5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.979 -6.292 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.841 -5.419 7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.049 -6.970 6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.157 -7.828 5.395 1.00 0.00 H new ATOM 187 N ASN A 12 12.579 -3.842 4.843 1.00 0.00 N ATOM 188 CA ASN A 12 13.436 -2.658 4.907 1.00 0.00 C ATOM 189 C ASN A 12 12.972 -1.570 3.942 1.00 0.00 C ATOM 190 O ASN A 12 12.884 -0.398 4.316 1.00 0.00 O ATOM 191 CB ASN A 12 14.894 -3.046 4.620 1.00 0.00 C ATOM 192 CG ASN A 12 15.850 -1.862 4.621 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.371 -1.468 5.664 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.135 -1.333 3.466 1.00 0.00 N ATOM 0 H ASN A 12 13.078 -4.696 4.595 1.00 0.00 H new ATOM 0 HA ASN A 12 13.366 -2.250 5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.223 -3.769 5.367 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.945 -3.543 3.651 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.808 -0.569 3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.685 -1.683 2.620 1.00 0.00 H new ATOM 201 N LYS A 13 12.652 -1.966 2.724 1.00 0.00 N ATOM 202 CA LYS A 13 12.217 -1.038 1.690 1.00 0.00 C ATOM 203 C LYS A 13 10.846 -0.442 2.071 1.00 0.00 C ATOM 204 O LYS A 13 10.614 0.758 1.917 1.00 0.00 O ATOM 205 CB LYS A 13 12.166 -1.777 0.344 1.00 0.00 C ATOM 206 CG LYS A 13 12.157 -0.887 -0.895 1.00 0.00 C ATOM 207 CD LYS A 13 13.392 0.017 -0.953 1.00 0.00 C ATOM 208 CE LYS A 13 14.718 -0.724 -1.053 1.00 0.00 C ATOM 209 NZ LYS A 13 14.958 -1.304 -2.391 1.00 0.00 N ATOM 0 H LYS A 13 12.685 -2.939 2.421 1.00 0.00 H new ATOM 0 HA LYS A 13 12.921 -0.211 1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.025 -2.445 0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.274 -2.403 0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.119 -1.509 -1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.256 -0.273 -0.895 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.298 0.683 -1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.408 0.645 -0.062 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.530 -0.039 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.739 -1.520 -0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.850 -1.838 -2.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.175 -1.942 -2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.018 -0.541 -3.095 1.00 0.00 H new ATOM 223 N LYS A 14 9.973 -1.298 2.588 1.00 0.00 N ATOM 224 CA LYS A 14 8.677 -0.931 3.133 1.00 0.00 C ATOM 225 C LYS A 14 8.870 0.100 4.243 1.00 0.00 C ATOM 226 O LYS A 14 8.208 1.117 4.271 1.00 0.00 O ATOM 227 CB LYS A 14 8.035 -2.196 3.722 1.00 0.00 C ATOM 228 CG LYS A 14 6.678 -2.027 4.387 1.00 0.00 C ATOM 229 CD LYS A 14 6.243 -3.328 5.065 1.00 0.00 C ATOM 230 CE LYS A 14 7.062 -3.613 6.315 1.00 0.00 C ATOM 231 NZ LYS A 14 6.849 -4.979 6.847 1.00 0.00 N ATOM 0 H LYS A 14 10.157 -2.300 2.640 1.00 0.00 H new ATOM 0 HA LYS A 14 8.042 -0.507 2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.933 -2.930 2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.723 -2.617 4.455 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.726 -1.225 5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.937 -1.733 3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.187 -3.266 5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.348 -4.156 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.120 -3.478 6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.805 -2.885 7.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.174 -5.022 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.837 -5.214 6.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.387 -5.662 6.276 1.00 0.00 H new ATOM 245 N LYS A 15 9.812 -0.171 5.136 1.00 0.00 N ATOM 246 CA LYS A 15 10.097 0.699 6.263 1.00 0.00 C ATOM 247 C LYS A 15 10.677 2.031 5.804 1.00 0.00 C ATOM 248 O LYS A 15 10.341 3.068 6.366 1.00 0.00 O ATOM 249 CB LYS A 15 10.996 -0.007 7.289 1.00 0.00 C ATOM 250 CG LYS A 15 10.360 -1.280 7.852 1.00 0.00 C ATOM 251 CD LYS A 15 11.300 -2.066 8.760 1.00 0.00 C ATOM 252 CE LYS A 15 11.495 -1.397 10.103 1.00 0.00 C ATOM 253 NZ LYS A 15 10.228 -1.339 10.873 1.00 0.00 N ATOM 0 H LYS A 15 10.400 -1.003 5.097 1.00 0.00 H new ATOM 0 HA LYS A 15 9.156 0.925 6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.948 -0.257 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.214 0.678 8.108 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.462 -1.014 8.411 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.045 -1.918 7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.901 -3.069 8.911 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.267 -2.178 8.269 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.245 -1.942 10.676 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.878 -0.387 9.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.441 -1.199 11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.648 -0.547 10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.706 -2.230 10.750 1.00 0.00 H new ATOM 267 N GLU A 16 11.519 2.005 4.750 1.00 0.00 N ATOM 268 CA GLU A 16 12.034 3.247 4.154 1.00 0.00 C ATOM 269 C GLU A 16 10.878 4.077 3.645 1.00 0.00 C ATOM 270 O GLU A 16 10.876 5.309 3.748 1.00 0.00 O ATOM 271 CB GLU A 16 12.998 2.995 2.987 1.00 0.00 C ATOM 272 CG GLU A 16 14.327 2.366 3.328 1.00 0.00 C ATOM 273 CD GLU A 16 15.297 2.493 2.171 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.113 1.839 1.132 1.00 0.00 O ATOM 275 OE2 GLU A 16 16.235 3.306 2.264 1.00 0.00 O ATOM 0 H GLU A 16 11.850 1.150 4.303 1.00 0.00 H new ATOM 0 HA GLU A 16 12.585 3.767 4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.495 2.355 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.189 3.947 2.492 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.745 2.846 4.213 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.184 1.314 3.574 1.00 0.00 H new ATOM 282 N LEU A 17 9.890 3.390 3.129 1.00 0.00 N ATOM 283 CA LEU A 17 8.717 4.006 2.603 1.00 0.00 C ATOM 284 C LEU A 17 7.851 4.556 3.712 1.00 0.00 C ATOM 285 O LEU A 17 7.364 5.673 3.602 1.00 0.00 O ATOM 286 CB LEU A 17 7.964 3.016 1.678 1.00 0.00 C ATOM 287 CG LEU A 17 6.559 3.383 1.191 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.506 3.120 2.221 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.499 4.792 0.635 1.00 0.00 C ATOM 0 H LEU A 17 9.886 2.372 3.066 1.00 0.00 H new ATOM 0 HA LEU A 17 9.003 4.861 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.585 2.849 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.893 2.063 2.203 1.00 0.00 H new ATOM 0 HG LEU A 17 6.333 2.715 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.530 3.398 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.505 2.061 2.478 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.715 3.709 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.484 5.009 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.786 5.502 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.184 4.880 -0.208 1.00 0.00 H new ATOM 301 N ILE A 18 7.652 3.784 4.765 1.00 0.00 N ATOM 302 CA ILE A 18 6.821 4.223 5.879 1.00 0.00 C ATOM 303 C ILE A 18 7.396 5.518 6.447 1.00 0.00 C ATOM 304 O ILE A 18 6.673 6.454 6.728 1.00 0.00 O ATOM 305 CB ILE A 18 6.724 3.153 7.007 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.160 1.851 6.439 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.835 3.661 8.164 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.277 0.661 7.363 1.00 0.00 C ATOM 0 H ILE A 18 8.052 2.852 4.875 1.00 0.00 H new ATOM 0 HA ILE A 18 5.811 4.382 5.500 1.00 0.00 H new ATOM 0 HB ILE A 18 7.724 2.967 7.400 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.109 2.002 6.193 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.676 1.623 5.506 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.780 2.899 8.942 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.264 4.573 8.579 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.833 3.869 7.789 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.852 -0.218 6.879 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.327 0.478 7.590 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.736 0.864 8.287 1.00 0.00 H new ATOM 320 N GLN A 19 8.711 5.557 6.531 1.00 0.00 N ATOM 321 CA GLN A 19 9.444 6.724 6.989 1.00 0.00 C ATOM 322 C GLN A 19 9.254 7.909 6.026 1.00 0.00 C ATOM 323 O GLN A 19 9.223 9.065 6.448 1.00 0.00 O ATOM 324 CB GLN A 19 10.916 6.369 7.191 1.00 0.00 C ATOM 325 CG GLN A 19 11.152 5.431 8.369 1.00 0.00 C ATOM 326 CD GLN A 19 12.553 4.860 8.421 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.197 4.641 7.394 1.00 0.00 O ATOM 328 NE2 GLN A 19 13.041 4.614 9.608 1.00 0.00 N ATOM 0 H GLN A 19 9.309 4.770 6.280 1.00 0.00 H new ATOM 0 HA GLN A 19 9.045 7.041 7.952 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.299 5.904 6.282 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.486 7.285 7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.954 5.969 9.296 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.436 4.610 8.318 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.482 4.807 10.439 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.981 4.229 9.703 1.00 0.00 H new ATOM 337 N LEU A 20 9.111 7.617 4.742 1.00 0.00 N ATOM 338 CA LEU A 20 8.833 8.643 3.744 1.00 0.00 C ATOM 339 C LEU A 20 7.414 9.178 3.893 1.00 0.00 C ATOM 340 O LEU A 20 7.212 10.393 3.947 1.00 0.00 O ATOM 341 CB LEU A 20 9.065 8.140 2.313 1.00 0.00 C ATOM 342 CG LEU A 20 10.515 7.964 1.869 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.568 7.343 0.493 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.230 9.306 1.858 1.00 0.00 C ATOM 0 H LEU A 20 9.183 6.673 4.363 1.00 0.00 H new ATOM 0 HA LEU A 20 9.537 9.456 3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.558 7.181 2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.582 8.835 1.627 1.00 0.00 H new ATOM 0 HG LEU A 20 11.016 7.303 2.576 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.607 7.223 0.188 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.081 6.368 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.054 7.990 -0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.263 9.165 1.540 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.726 9.981 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.214 9.735 2.860 1.00 0.00 H new ATOM 356 N VAL A 21 6.431 8.280 3.958 1.00 0.00 N ATOM 357 CA VAL A 21 5.037 8.704 4.163 1.00 0.00 C ATOM 358 C VAL A 21 4.887 9.441 5.518 1.00 0.00 C ATOM 359 O VAL A 21 4.107 10.385 5.652 1.00 0.00 O ATOM 360 CB VAL A 21 4.054 7.503 4.124 1.00 0.00 C ATOM 361 CG1 VAL A 21 2.607 7.973 4.113 1.00 0.00 C ATOM 362 CG2 VAL A 21 4.328 6.622 2.931 1.00 0.00 C ATOM 0 H VAL A 21 6.564 7.272 3.874 1.00 0.00 H new ATOM 0 HA VAL A 21 4.786 9.379 3.345 1.00 0.00 H new ATOM 0 HB VAL A 21 4.214 6.919 5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.944 7.108 4.086 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.407 8.555 5.012 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.432 8.592 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.626 5.788 2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.209 7.202 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.347 6.239 2.988 1.00 0.00 H new ATOM 372 N ALA A 22 5.654 9.010 6.501 1.00 0.00 N ATOM 373 CA ALA A 22 5.637 9.607 7.824 1.00 0.00 C ATOM 374 C ALA A 22 6.198 11.032 7.815 1.00 0.00 C ATOM 375 O ALA A 22 5.531 11.962 8.295 1.00 0.00 O ATOM 376 CB ALA A 22 6.392 8.734 8.803 1.00 0.00 C ATOM 0 H ALA A 22 6.309 8.234 6.405 1.00 0.00 H new ATOM 0 HA ALA A 22 4.597 9.675 8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.371 9.194 9.791 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.924 7.751 8.850 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.426 8.628 8.474 1.00 0.00 H new ATOM 382 N ARG A 23 7.396 11.209 7.216 1.00 0.00 N ATOM 383 CA ARG A 23 8.083 12.525 7.174 1.00 0.00 C ATOM 384 C ARG A 23 7.272 13.558 6.394 1.00 0.00 C ATOM 385 O ARG A 23 7.519 14.764 6.491 1.00 0.00 O ATOM 386 CB ARG A 23 9.502 12.419 6.595 1.00 0.00 C ATOM 387 CG ARG A 23 9.561 12.083 5.113 1.00 0.00 C ATOM 388 CD ARG A 23 10.990 11.995 4.616 1.00 0.00 C ATOM 389 NE ARG A 23 11.725 10.868 5.211 1.00 0.00 N ATOM 390 CZ ARG A 23 13.010 10.908 5.611 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.691 12.051 5.588 1.00 0.00 N ATOM 392 NH2 ARG A 23 13.603 9.804 6.036 1.00 0.00 N ATOM 0 H ARG A 23 7.910 10.459 6.754 1.00 0.00 H new ATOM 0 HA ARG A 23 8.167 12.860 8.208 1.00 0.00 H new ATOM 0 HB2 ARG A 23 10.018 13.365 6.760 1.00 0.00 H new ATOM 0 HB3 ARG A 23 10.049 11.656 7.149 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.054 11.135 4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.024 12.843 4.546 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.988 11.891 3.531 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.509 12.925 4.846 1.00 0.00 H new ATOM 0 HE ARG A 23 11.222 9.988 5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.240 12.907 5.265 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.664 12.071 5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.087 8.925 6.060 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.576 9.832 6.339 1.00 0.00 H new ATOM 406 N HIS A 24 6.355 13.064 5.578 1.00 0.00 N ATOM 407 CA HIS A 24 5.412 13.886 4.853 1.00 0.00 C ATOM 408 C HIS A 24 4.642 14.802 5.818 1.00 0.00 C ATOM 409 O HIS A 24 4.423 15.984 5.534 1.00 0.00 O ATOM 410 CB HIS A 24 4.445 12.974 4.067 1.00 0.00 C ATOM 411 CG HIS A 24 3.186 13.637 3.589 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.932 13.251 4.001 1.00 0.00 N ATOM 413 CD2 HIS A 24 2.999 14.678 2.741 1.00 0.00 C ATOM 414 CE1 HIS A 24 1.048 14.042 3.417 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.637 14.932 2.636 1.00 0.00 N ATOM 0 H HIS A 24 6.247 12.065 5.401 1.00 0.00 H new ATOM 0 HA HIS A 24 5.950 14.524 4.151 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.974 12.570 3.204 1.00 0.00 H new ATOM 0 HB3 HIS A 24 4.174 12.129 4.699 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.781 15.221 2.231 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.020 13.970 3.560 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.186 15.654 2.074 1.00 0.00 H new ATOM 423 N GLY A 25 4.269 14.253 6.941 1.00 0.00 N ATOM 424 CA GLY A 25 3.511 14.996 7.901 1.00 0.00 C ATOM 425 C GLY A 25 2.416 14.166 8.493 1.00 0.00 C ATOM 426 O GLY A 25 1.305 14.650 8.729 1.00 0.00 O ATOM 0 H GLY A 25 4.479 13.292 7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.171 15.349 8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.084 15.879 7.425 1.00 0.00 H new ATOM 430 N LEU A 26 2.699 12.904 8.724 1.00 0.00 N ATOM 431 CA LEU A 26 1.721 12.054 9.328 1.00 0.00 C ATOM 432 C LEU A 26 1.729 12.180 10.806 1.00 0.00 C ATOM 433 O LEU A 26 2.763 12.468 11.432 1.00 0.00 O ATOM 434 CB LEU A 26 1.868 10.579 8.954 1.00 0.00 C ATOM 435 CG LEU A 26 1.371 10.143 7.586 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.410 8.632 7.447 1.00 0.00 C ATOM 437 CD2 LEU A 26 -0.009 10.708 7.259 1.00 0.00 C ATOM 0 H LEU A 26 3.588 12.456 8.503 1.00 0.00 H new ATOM 0 HA LEU A 26 0.768 12.400 8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.924 10.319 9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.343 9.989 9.705 1.00 0.00 H new ATOM 0 HG LEU A 26 2.055 10.563 6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.049 8.348 6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.434 8.281 7.574 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.775 8.180 8.209 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.317 10.366 6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.728 10.365 8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.032 11.797 7.270 1.00 0.00 H new ATOM 449 N ASP A 27 0.575 11.981 11.358 1.00 0.00 N ATOM 450 CA ASP A 27 0.389 11.935 12.776 1.00 0.00 C ATOM 451 C ASP A 27 0.955 10.599 13.220 1.00 0.00 C ATOM 452 O ASP A 27 1.095 9.685 12.381 1.00 0.00 O ATOM 453 CB ASP A 27 -1.115 11.996 13.116 1.00 0.00 C ATOM 454 CG ASP A 27 -1.868 13.116 12.409 1.00 0.00 C ATOM 455 OD1 ASP A 27 -2.320 12.916 11.239 1.00 0.00 O ATOM 456 OD2 ASP A 27 -2.035 14.191 12.990 1.00 0.00 O ATOM 0 H ASP A 27 -0.284 11.843 10.825 1.00 0.00 H new ATOM 0 HA ASP A 27 0.878 12.774 13.272 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.574 11.043 12.855 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.228 12.120 14.193 1.00 0.00 H new ATOM 461 N HIS A 28 1.253 10.443 14.485 1.00 0.00 N ATOM 462 CA HIS A 28 1.843 9.196 14.986 1.00 0.00 C ATOM 463 C HIS A 28 0.895 8.028 14.703 1.00 0.00 C ATOM 464 O HIS A 28 1.308 6.953 14.258 1.00 0.00 O ATOM 465 CB HIS A 28 2.151 9.309 16.493 1.00 0.00 C ATOM 466 CG HIS A 28 2.788 8.081 17.088 1.00 0.00 C ATOM 467 ND1 HIS A 28 2.267 7.378 18.154 1.00 0.00 N ATOM 468 CD2 HIS A 28 3.934 7.450 16.751 1.00 0.00 C ATOM 469 CE1 HIS A 28 3.093 6.365 18.425 1.00 0.00 C ATOM 470 NE2 HIS A 28 4.127 6.363 17.597 1.00 0.00 N ATOM 0 H HIS A 28 1.102 11.156 15.199 1.00 0.00 H new ATOM 0 HA HIS A 28 2.785 9.013 14.469 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.811 10.161 16.654 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.224 9.518 17.027 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.596 7.744 15.950 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.939 5.644 19.214 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.903 5.702 17.583 1.00 0.00 H new ATOM 478 N ASP A 29 -0.383 8.298 14.879 1.00 0.00 N ATOM 479 CA ASP A 29 -1.442 7.331 14.646 1.00 0.00 C ATOM 480 C ASP A 29 -1.533 6.948 13.185 1.00 0.00 C ATOM 481 O ASP A 29 -1.916 5.851 12.850 1.00 0.00 O ATOM 482 CB ASP A 29 -2.794 7.850 15.144 1.00 0.00 C ATOM 483 CG ASP A 29 -2.855 7.974 16.646 1.00 0.00 C ATOM 484 OD1 ASP A 29 -2.456 9.023 17.195 1.00 0.00 O ATOM 485 OD2 ASP A 29 -3.298 7.017 17.315 1.00 0.00 O ATOM 0 H ASP A 29 -0.722 9.208 15.192 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.188 6.438 15.217 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.992 8.823 14.695 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.583 7.177 14.807 1.00 0.00 H new ATOM 490 N LYS A 30 -1.122 7.837 12.332 1.00 0.00 N ATOM 491 CA LYS A 30 -1.209 7.625 10.899 1.00 0.00 C ATOM 492 C LYS A 30 -0.138 6.672 10.470 1.00 0.00 C ATOM 493 O LYS A 30 -0.406 5.725 9.755 1.00 0.00 O ATOM 494 CB LYS A 30 -1.078 8.945 10.155 1.00 0.00 C ATOM 495 CG LYS A 30 -2.216 9.908 10.401 1.00 0.00 C ATOM 496 CD LYS A 30 -3.542 9.426 9.863 1.00 0.00 C ATOM 497 CE LYS A 30 -4.654 10.407 10.225 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.387 11.778 9.715 1.00 0.00 N ATOM 0 H LYS A 30 -0.715 8.733 12.599 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.183 7.199 10.660 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.143 9.423 10.447 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.013 8.742 9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.309 10.081 11.473 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.975 10.867 9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.484 9.317 8.780 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.770 8.441 10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.599 10.048 9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.767 10.441 11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.278 12.314 9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.720 12.261 10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.977 11.720 8.761 1.00 0.00 H new ATOM 512 N VAL A 31 1.070 6.911 10.957 1.00 0.00 N ATOM 513 CA VAL A 31 2.212 6.063 10.674 1.00 0.00 C ATOM 514 C VAL A 31 1.917 4.636 11.129 1.00 0.00 C ATOM 515 O VAL A 31 2.170 3.667 10.397 1.00 0.00 O ATOM 516 CB VAL A 31 3.486 6.572 11.407 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.712 5.761 11.017 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.712 8.053 11.152 1.00 0.00 C ATOM 0 H VAL A 31 1.284 7.703 11.563 1.00 0.00 H new ATOM 0 HA VAL A 31 2.392 6.088 9.599 1.00 0.00 H new ATOM 0 HB VAL A 31 3.324 6.436 12.476 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.585 6.143 11.547 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.556 4.715 11.282 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.876 5.843 9.942 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.609 8.380 11.677 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.835 8.223 10.082 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.854 8.620 11.513 1.00 0.00 H new ATOM 528 N LEU A 32 1.338 4.511 12.316 1.00 0.00 N ATOM 529 CA LEU A 32 1.039 3.217 12.868 1.00 0.00 C ATOM 530 C LEU A 32 -0.085 2.499 12.119 1.00 0.00 C ATOM 531 O LEU A 32 0.003 1.299 11.865 1.00 0.00 O ATOM 532 CB LEU A 32 0.821 3.293 14.378 1.00 0.00 C ATOM 533 CG LEU A 32 -0.393 3.994 14.922 1.00 0.00 C ATOM 534 CD1 LEU A 32 -1.581 3.048 15.064 1.00 0.00 C ATOM 535 CD2 LEU A 32 -0.023 4.614 16.227 1.00 0.00 C ATOM 0 H LEU A 32 1.070 5.297 12.908 1.00 0.00 H new ATOM 0 HA LEU A 32 1.916 2.588 12.717 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.803 2.271 14.756 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.697 3.777 14.809 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.712 4.767 14.223 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.436 3.595 15.460 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.835 2.634 14.088 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.321 2.238 15.745 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.888 5.130 16.643 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.304 3.838 16.919 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.786 5.328 16.074 1.00 0.00 H new ATOM 547 N LEU A 33 -1.120 3.237 11.730 1.00 0.00 N ATOM 548 CA LEU A 33 -2.234 2.649 10.990 1.00 0.00 C ATOM 549 C LEU A 33 -1.798 2.257 9.598 1.00 0.00 C ATOM 550 O LEU A 33 -2.199 1.208 9.080 1.00 0.00 O ATOM 551 CB LEU A 33 -3.427 3.598 10.907 1.00 0.00 C ATOM 552 CG LEU A 33 -4.105 3.961 12.230 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.216 4.975 12.008 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.638 2.720 12.926 1.00 0.00 C ATOM 0 H LEU A 33 -1.212 4.236 11.913 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.548 1.759 11.536 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.097 4.520 10.429 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.174 3.150 10.252 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.356 4.415 12.878 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.683 5.218 12.962 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.799 5.881 11.567 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.963 4.555 11.335 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.115 3.005 13.864 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.367 2.227 12.283 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.815 2.036 13.131 1.00 0.00 H new ATOM 566 N PHE A 34 -0.976 3.090 9.005 1.00 0.00 N ATOM 567 CA PHE A 34 -0.461 2.851 7.685 1.00 0.00 C ATOM 568 C PHE A 34 0.420 1.610 7.663 1.00 0.00 C ATOM 569 O PHE A 34 0.180 0.698 6.883 1.00 0.00 O ATOM 570 CB PHE A 34 0.306 4.081 7.176 1.00 0.00 C ATOM 571 CG PHE A 34 0.960 3.880 5.849 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.205 3.790 4.693 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.335 3.758 5.759 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.810 3.584 3.478 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.939 3.547 4.548 1.00 0.00 C ATOM 576 CZ PHE A 34 2.177 3.461 3.409 1.00 0.00 C ATOM 0 H PHE A 34 -0.646 3.956 9.430 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.302 2.674 7.015 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.382 4.923 7.107 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.067 4.351 7.908 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.870 3.883 4.747 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.938 3.830 6.652 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.214 3.519 2.580 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.013 3.448 4.489 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.654 3.296 2.454 1.00 0.00 H new ATOM 586 N SER A 35 1.396 1.560 8.558 1.00 0.00 N ATOM 587 CA SER A 35 2.360 0.471 8.593 1.00 0.00 C ATOM 588 C SER A 35 1.703 -0.899 8.800 1.00 0.00 C ATOM 589 O SER A 35 2.131 -1.895 8.209 1.00 0.00 O ATOM 590 CB SER A 35 3.422 0.741 9.662 1.00 0.00 C ATOM 591 OG SER A 35 2.825 1.023 10.918 1.00 0.00 O ATOM 0 H SER A 35 1.541 2.269 9.277 1.00 0.00 H new ATOM 0 HA SER A 35 2.840 0.433 7.615 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.078 -0.125 9.754 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.045 1.581 9.356 1.00 0.00 H new ATOM 0 HG SER A 35 2.531 1.958 10.938 1.00 0.00 H new ATOM 597 N ARG A 36 0.669 -0.948 9.620 1.00 0.00 N ATOM 598 CA ARG A 36 0.006 -2.208 9.897 1.00 0.00 C ATOM 599 C ARG A 36 -0.861 -2.679 8.732 1.00 0.00 C ATOM 600 O ARG A 36 -0.919 -3.882 8.446 1.00 0.00 O ATOM 601 CB ARG A 36 -0.752 -2.170 11.230 1.00 0.00 C ATOM 602 CG ARG A 36 -1.930 -1.223 11.311 1.00 0.00 C ATOM 603 CD ARG A 36 -2.277 -0.929 12.766 1.00 0.00 C ATOM 604 NE ARG A 36 -2.520 -2.145 13.566 1.00 0.00 N ATOM 605 CZ ARG A 36 -1.822 -2.491 14.675 1.00 0.00 C ATOM 606 NH1 ARG A 36 -0.677 -1.863 14.972 1.00 0.00 N ATOM 607 NH2 ARG A 36 -2.239 -3.499 15.440 1.00 0.00 N ATOM 0 H ARG A 36 0.274 -0.140 10.101 1.00 0.00 H new ATOM 0 HA ARG A 36 0.786 -2.962 10.007 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.108 -3.177 11.449 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.046 -1.904 12.016 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.694 -0.294 10.792 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.792 -1.660 10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.464 -0.361 13.219 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.164 -0.297 12.800 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.267 -2.770 13.263 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.329 -1.123 14.363 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.153 -2.125 15.807 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.085 -4.012 15.191 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.712 -3.758 16.274 1.00 0.00 H new ATOM 621 N ASP A 37 -1.504 -1.742 8.041 1.00 0.00 N ATOM 622 CA ASP A 37 -2.357 -2.106 6.907 1.00 0.00 C ATOM 623 C ASP A 37 -1.470 -2.480 5.724 1.00 0.00 C ATOM 624 O ASP A 37 -1.675 -3.500 5.073 1.00 0.00 O ATOM 625 CB ASP A 37 -3.284 -0.950 6.525 1.00 0.00 C ATOM 626 CG ASP A 37 -4.474 -1.403 5.693 1.00 0.00 C ATOM 627 OD1 ASP A 37 -4.326 -1.714 4.503 1.00 0.00 O ATOM 628 OD2 ASP A 37 -5.605 -1.467 6.250 1.00 0.00 O ATOM 0 H ASP A 37 -1.455 -0.743 8.239 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.981 -2.954 7.188 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.644 -0.463 7.432 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.718 -0.205 5.966 1.00 0.00 H new ATOM 633 N LEU A 38 -0.441 -1.664 5.514 1.00 0.00 N ATOM 634 CA LEU A 38 0.560 -1.858 4.460 1.00 0.00 C ATOM 635 C LEU A 38 1.193 -3.235 4.547 1.00 0.00 C ATOM 636 O LEU A 38 1.266 -3.960 3.553 1.00 0.00 O ATOM 637 CB LEU A 38 1.641 -0.765 4.584 1.00 0.00 C ATOM 638 CG LEU A 38 2.953 -0.956 3.805 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.720 -1.052 2.318 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.905 0.173 4.112 1.00 0.00 C ATOM 0 H LEU A 38 -0.273 -0.833 6.080 1.00 0.00 H new ATOM 0 HA LEU A 38 0.067 -1.783 3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.199 0.180 4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.891 -0.661 5.640 1.00 0.00 H new ATOM 0 HG LEU A 38 3.392 -1.900 4.127 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.674 -1.186 1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.072 -1.902 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.245 -0.137 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.831 0.029 3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.451 1.121 3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.121 0.186 5.180 1.00 0.00 H new ATOM 652 N ASP A 39 1.621 -3.594 5.742 1.00 0.00 N ATOM 653 CA ASP A 39 2.286 -4.868 5.977 1.00 0.00 C ATOM 654 C ASP A 39 1.364 -6.033 5.636 1.00 0.00 C ATOM 655 O ASP A 39 1.787 -7.019 5.031 1.00 0.00 O ATOM 656 CB ASP A 39 2.764 -4.952 7.425 1.00 0.00 C ATOM 657 CG ASP A 39 3.538 -6.209 7.723 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.625 -6.392 7.151 1.00 0.00 O ATOM 659 OD2 ASP A 39 3.085 -7.028 8.562 1.00 0.00 O ATOM 0 H ASP A 39 1.520 -3.016 6.576 1.00 0.00 H new ATOM 0 HA ASP A 39 3.156 -4.933 5.323 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.390 -4.087 7.645 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.901 -4.898 8.089 1.00 0.00 H new ATOM 664 N LYS A 40 0.089 -5.879 5.957 1.00 0.00 N ATOM 665 CA LYS A 40 -0.883 -6.915 5.684 1.00 0.00 C ATOM 666 C LYS A 40 -1.205 -7.016 4.200 1.00 0.00 C ATOM 667 O LYS A 40 -1.388 -8.120 3.684 1.00 0.00 O ATOM 668 CB LYS A 40 -2.136 -6.741 6.529 1.00 0.00 C ATOM 669 CG LYS A 40 -1.863 -6.900 8.013 1.00 0.00 C ATOM 670 CD LYS A 40 -3.114 -6.769 8.860 1.00 0.00 C ATOM 671 CE LYS A 40 -2.785 -6.962 10.336 1.00 0.00 C ATOM 672 NZ LYS A 40 -1.843 -5.930 10.834 1.00 0.00 N ATOM 0 H LYS A 40 -0.292 -5.046 6.406 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.432 -7.865 5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.560 -5.754 6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.883 -7.472 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.410 -7.875 8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.138 -6.149 8.326 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.562 -5.787 8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.851 -7.508 8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.704 -6.926 10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.351 -7.951 10.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.225 -5.500 11.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.924 -6.370 11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.718 -5.195 10.109 1.00 0.00 H new ATOM 686 N LEU A 41 -1.253 -5.875 3.515 1.00 0.00 N ATOM 687 CA LEU A 41 -1.457 -5.844 2.065 1.00 0.00 C ATOM 688 C LEU A 41 -0.345 -6.620 1.372 1.00 0.00 C ATOM 689 O LEU A 41 -0.598 -7.407 0.440 1.00 0.00 O ATOM 690 CB LEU A 41 -1.497 -4.391 1.538 1.00 0.00 C ATOM 691 CG LEU A 41 -1.528 -4.209 0.001 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.782 -4.804 -0.615 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.392 -2.742 -0.375 1.00 0.00 C ATOM 0 H LEU A 41 -1.153 -4.954 3.942 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.417 -6.310 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.377 -3.902 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.625 -3.865 1.925 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.674 -4.752 -0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.763 -4.654 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.823 -5.871 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.661 -4.314 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.417 -2.641 -1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.216 -2.177 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.446 -2.355 0.004 1.00 0.00 H new ATOM 705 N ILE A 42 0.867 -6.418 1.853 1.00 0.00 N ATOM 706 CA ILE A 42 2.028 -7.082 1.307 1.00 0.00 C ATOM 707 C ILE A 42 1.929 -8.585 1.530 1.00 0.00 C ATOM 708 O ILE A 42 1.897 -9.345 0.560 1.00 0.00 O ATOM 709 CB ILE A 42 3.347 -6.513 1.910 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.484 -5.035 1.540 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.560 -7.294 1.415 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.719 -4.365 2.084 1.00 0.00 C ATOM 0 H ILE A 42 1.071 -5.790 2.631 1.00 0.00 H new ATOM 0 HA ILE A 42 2.054 -6.891 0.234 1.00 0.00 H new ATOM 0 HB ILE A 42 3.304 -6.614 2.994 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.486 -4.944 0.454 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.606 -4.500 1.903 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.466 -6.874 1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.465 -8.339 1.710 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.617 -7.227 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.733 -3.321 1.773 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.713 -4.419 3.173 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.606 -4.870 1.701 1.00 0.00 H new ATOM 724 N ASN A 43 1.793 -8.990 2.792 1.00 0.00 N ATOM 725 CA ASN A 43 1.687 -10.416 3.193 1.00 0.00 C ATOM 726 C ASN A 43 0.616 -11.136 2.411 1.00 0.00 C ATOM 727 O ASN A 43 0.807 -12.287 2.004 1.00 0.00 O ATOM 728 CB ASN A 43 1.364 -10.576 4.685 1.00 0.00 C ATOM 729 CG ASN A 43 2.431 -10.060 5.616 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.615 -10.049 5.290 1.00 0.00 O ATOM 731 ND2 ASN A 43 2.021 -9.647 6.785 1.00 0.00 N ATOM 0 H ASN A 43 1.752 -8.343 3.580 1.00 0.00 H new ATOM 0 HA ASN A 43 2.663 -10.852 2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.431 -10.056 4.899 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.196 -11.632 4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.694 -9.298 7.468 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.028 -9.673 7.016 1.00 0.00 H new ATOM 738 N LYS A 44 -0.495 -10.447 2.196 1.00 0.00 N ATOM 739 CA LYS A 44 -1.631 -10.969 1.460 1.00 0.00 C ATOM 740 C LYS A 44 -1.231 -11.375 0.050 1.00 0.00 C ATOM 741 O LYS A 44 -1.498 -12.490 -0.384 1.00 0.00 O ATOM 742 CB LYS A 44 -2.702 -9.892 1.404 1.00 0.00 C ATOM 743 CG LYS A 44 -3.921 -10.238 0.581 1.00 0.00 C ATOM 744 CD LYS A 44 -4.926 -9.120 0.601 1.00 0.00 C ATOM 745 CE LYS A 44 -4.413 -7.895 -0.056 1.00 0.00 C ATOM 746 NZ LYS A 44 -5.428 -6.823 -0.054 1.00 0.00 N ATOM 0 H LYS A 44 -0.632 -9.495 2.534 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.009 -11.857 1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.022 -9.668 2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.258 -8.982 1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.623 -10.444 -0.447 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.378 -11.148 0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.838 -9.444 0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.193 -8.892 1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.516 -7.551 0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.123 -8.123 -1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.159 -6.089 -0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.353 -7.220 -0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.488 -6.404 0.896 1.00 0.00 H new ATOM 760 N PHE A 45 -0.574 -10.479 -0.637 1.00 0.00 N ATOM 761 CA PHE A 45 -0.113 -10.744 -1.986 1.00 0.00 C ATOM 762 C PHE A 45 1.027 -11.734 -2.029 1.00 0.00 C ATOM 763 O PHE A 45 1.056 -12.594 -2.901 1.00 0.00 O ATOM 764 CB PHE A 45 0.241 -9.461 -2.722 1.00 0.00 C ATOM 765 CG PHE A 45 -0.941 -8.826 -3.381 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.828 -8.027 -2.676 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.171 -9.050 -4.724 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.916 -7.464 -3.312 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.252 -8.493 -5.358 1.00 0.00 C ATOM 770 CZ PHE A 45 -3.124 -7.697 -4.654 1.00 0.00 C ATOM 0 H PHE A 45 -0.341 -9.550 -0.287 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.950 -11.208 -2.508 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.682 -8.754 -2.019 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.999 -9.677 -3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.667 -7.844 -1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.489 -9.673 -5.284 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.603 -6.842 -2.758 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.418 -8.679 -6.409 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.973 -7.254 -5.153 1.00 0.00 H new ATOM 780 N MET A 46 1.929 -11.646 -1.068 1.00 0.00 N ATOM 781 CA MET A 46 3.090 -12.546 -1.019 1.00 0.00 C ATOM 782 C MET A 46 2.618 -13.971 -0.815 1.00 0.00 C ATOM 783 O MET A 46 3.089 -14.906 -1.475 1.00 0.00 O ATOM 784 CB MET A 46 4.012 -12.206 0.159 1.00 0.00 C ATOM 785 CG MET A 46 4.468 -10.765 0.242 1.00 0.00 C ATOM 786 SD MET A 46 5.801 -10.532 1.418 1.00 0.00 S ATOM 787 CE MET A 46 7.097 -11.377 0.547 1.00 0.00 C ATOM 0 H MET A 46 1.889 -10.966 -0.309 1.00 0.00 H new ATOM 0 HA MET A 46 3.631 -12.431 -1.958 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.495 -12.458 1.085 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.894 -12.844 0.102 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.795 -10.434 -0.743 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.624 -10.136 0.525 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.039 -11.246 1.079 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.861 -12.439 0.484 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.188 -10.966 -0.458 1.00 0.00 H new ATOM 1151 N LEU B 6 9.156 14.790 -2.615 1.00 0.00 N ATOM 1152 CA LEU B 6 8.895 13.836 -1.539 1.00 0.00 C ATOM 1153 C LEU B 6 7.962 12.738 -2.040 1.00 0.00 C ATOM 1154 O LEU B 6 8.208 11.556 -1.807 1.00 0.00 O ATOM 1155 CB LEU B 6 8.323 14.593 -0.303 1.00 0.00 C ATOM 1156 CG LEU B 6 7.984 13.808 0.992 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.665 13.064 0.884 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.111 12.856 1.370 1.00 0.00 C ATOM 0 HA LEU B 6 9.820 13.352 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.041 15.368 -0.035 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.413 15.099 -0.624 1.00 0.00 H new ATOM 0 HG LEU B 6 7.875 14.545 1.787 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.471 12.530 1.814 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.860 13.775 0.700 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.715 12.352 0.060 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.845 12.320 2.281 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.270 12.142 0.562 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.026 13.424 1.538 1.00 0.00 H new ATOM 1170 N LYS B 7 6.918 13.138 -2.748 1.00 0.00 N ATOM 1171 CA LYS B 7 5.991 12.192 -3.340 1.00 0.00 C ATOM 1172 C LYS B 7 6.697 11.287 -4.324 1.00 0.00 C ATOM 1173 O LYS B 7 6.441 10.106 -4.340 1.00 0.00 O ATOM 1174 CB LYS B 7 4.803 12.904 -4.004 1.00 0.00 C ATOM 1175 CG LYS B 7 3.465 12.626 -3.321 1.00 0.00 C ATOM 1176 CD LYS B 7 2.942 11.196 -3.584 1.00 0.00 C ATOM 1177 CE LYS B 7 2.390 11.043 -5.001 1.00 0.00 C ATOM 1178 NZ LYS B 7 1.799 9.699 -5.247 1.00 0.00 N ATOM 0 H LYS B 7 6.692 14.117 -2.926 1.00 0.00 H new ATOM 0 HA LYS B 7 5.594 11.575 -2.534 1.00 0.00 H new ATOM 0 HB2 LYS B 7 4.986 13.978 -4.002 1.00 0.00 H new ATOM 0 HB3 LYS B 7 4.741 12.594 -5.047 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.573 12.776 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.727 13.348 -3.671 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.749 10.480 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.161 10.957 -2.862 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.631 11.806 -5.175 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.191 11.220 -5.719 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.580 9.596 -6.258 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.478 8.964 -4.963 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 0.926 9.597 -4.691 1.00 0.00 H new ATOM 1192 N ASN B 8 7.625 11.842 -5.097 1.00 0.00 N ATOM 1193 CA ASN B 8 8.371 11.048 -6.085 1.00 0.00 C ATOM 1194 C ASN B 8 9.323 10.072 -5.382 1.00 0.00 C ATOM 1195 O ASN B 8 9.558 8.963 -5.871 1.00 0.00 O ATOM 1196 CB ASN B 8 9.147 11.935 -7.069 1.00 0.00 C ATOM 1197 CG ASN B 8 9.757 11.132 -8.224 1.00 0.00 C ATOM 1198 OD1 ASN B 8 9.200 10.126 -8.672 1.00 0.00 O ATOM 1199 ND2 ASN B 8 10.895 11.557 -8.705 1.00 0.00 N ATOM 0 H ASN B 8 7.882 12.829 -5.065 1.00 0.00 H new ATOM 0 HA ASN B 8 7.641 10.480 -6.662 1.00 0.00 H new ATOM 0 HB2 ASN B 8 8.479 12.696 -7.472 1.00 0.00 H new ATOM 0 HB3 ASN B 8 9.940 12.458 -6.535 1.00 0.00 H new ATOM 0 HD21 ASN B 8 11.345 11.054 -9.470 1.00 0.00 H new ATOM 0 HD22 ASN B 8 11.333 12.392 -8.316 1.00 0.00 H new ATOM 1206 N LYS B 9 9.872 10.493 -4.229 1.00 0.00 N ATOM 1207 CA LYS B 9 10.696 9.605 -3.390 1.00 0.00 C ATOM 1208 C LYS B 9 9.857 8.420 -2.986 1.00 0.00 C ATOM 1209 O LYS B 9 10.289 7.266 -3.072 1.00 0.00 O ATOM 1210 CB LYS B 9 11.160 10.294 -2.101 1.00 0.00 C ATOM 1211 CG LYS B 9 12.060 11.493 -2.271 1.00 0.00 C ATOM 1212 CD LYS B 9 12.436 12.077 -0.918 1.00 0.00 C ATOM 1213 CE LYS B 9 13.361 13.271 -1.057 1.00 0.00 C ATOM 1214 NZ LYS B 9 14.631 12.915 -1.731 1.00 0.00 N ATOM 0 H LYS B 9 9.761 11.437 -3.858 1.00 0.00 H new ATOM 0 HA LYS B 9 11.573 9.319 -3.971 1.00 0.00 H new ATOM 0 HB2 LYS B 9 10.277 10.605 -1.543 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.682 9.559 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.961 11.204 -2.811 1.00 0.00 H new ATOM 0 HG3 LYS B 9 11.557 12.250 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS B 9 11.532 12.377 -0.388 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.920 11.310 -0.313 1.00 0.00 H new ATOM 0 HE2 LYS B 9 12.858 14.055 -1.623 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.577 13.679 -0.070 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 15.322 13.681 -1.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 15.006 12.035 -1.322 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 14.458 12.778 -2.747 1.00 0.00 H new ATOM 1228 N ILE B 10 8.653 8.731 -2.544 1.00 0.00 N ATOM 1229 CA ILE B 10 7.677 7.750 -2.149 1.00 0.00 C ATOM 1230 C ILE B 10 7.334 6.845 -3.303 1.00 0.00 C ATOM 1231 O ILE B 10 7.322 5.639 -3.140 1.00 0.00 O ATOM 1232 CB ILE B 10 6.413 8.433 -1.572 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.753 9.038 -0.215 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.225 7.477 -1.480 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.618 9.745 0.450 1.00 0.00 C ATOM 0 H ILE B 10 8.326 9.693 -2.450 1.00 0.00 H new ATOM 0 HA ILE B 10 8.109 7.134 -1.360 1.00 0.00 H new ATOM 0 HB ILE B 10 6.104 9.224 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.106 8.245 0.444 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.578 9.739 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.364 8.005 -1.069 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.981 7.103 -2.474 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.481 6.640 -0.830 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.949 10.144 1.409 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.277 10.563 -0.185 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.798 9.045 0.612 1.00 0.00 H new ATOM 1247 N GLU B 11 7.076 7.432 -4.461 1.00 0.00 N ATOM 1248 CA GLU B 11 6.787 6.681 -5.670 1.00 0.00 C ATOM 1249 C GLU B 11 7.909 5.709 -5.968 1.00 0.00 C ATOM 1250 O GLU B 11 7.663 4.525 -6.155 1.00 0.00 O ATOM 1251 CB GLU B 11 6.568 7.617 -6.852 1.00 0.00 C ATOM 1252 CG GLU B 11 5.385 8.547 -6.675 1.00 0.00 C ATOM 1253 CD GLU B 11 4.088 7.811 -6.533 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.541 7.371 -7.547 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.558 7.687 -5.403 1.00 0.00 O ATOM 0 H GLU B 11 7.061 8.444 -4.588 1.00 0.00 H new ATOM 0 HA GLU B 11 5.869 6.116 -5.508 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.468 8.212 -7.006 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.421 7.023 -7.754 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.544 9.167 -5.793 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.325 9.219 -7.531 1.00 0.00 H new ATOM 1262 N ASN B 12 9.135 6.207 -5.963 1.00 0.00 N ATOM 1263 CA ASN B 12 10.319 5.382 -6.188 1.00 0.00 C ATOM 1264 C ASN B 12 10.409 4.254 -5.178 1.00 0.00 C ATOM 1265 O ASN B 12 10.583 3.104 -5.553 1.00 0.00 O ATOM 1266 CB ASN B 12 11.610 6.232 -6.156 1.00 0.00 C ATOM 1267 CG ASN B 12 12.892 5.386 -6.082 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.448 4.949 -7.107 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.398 5.202 -4.884 1.00 0.00 N ATOM 0 H ASN B 12 9.341 7.193 -5.803 1.00 0.00 H new ATOM 0 HA ASN B 12 10.220 4.944 -7.181 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.647 6.858 -7.047 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.575 6.902 -5.297 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.272 4.688 -4.773 1.00 0.00 H new ATOM 0 HD22 ASN B 12 12.917 5.573 -4.065 1.00 0.00 H new ATOM 1276 N LYS B 13 10.244 4.590 -3.911 1.00 0.00 N ATOM 1277 CA LYS B 13 10.376 3.626 -2.832 1.00 0.00 C ATOM 1278 C LYS B 13 9.267 2.563 -2.911 1.00 0.00 C ATOM 1279 O LYS B 13 9.528 1.365 -2.760 1.00 0.00 O ATOM 1280 CB LYS B 13 10.367 4.357 -1.483 1.00 0.00 C ATOM 1281 CG LYS B 13 10.867 3.529 -0.310 1.00 0.00 C ATOM 1282 CD LYS B 13 12.282 3.037 -0.533 1.00 0.00 C ATOM 1283 CE LYS B 13 13.290 4.151 -0.728 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.639 3.608 -0.991 1.00 0.00 N ATOM 0 H LYS B 13 10.016 5.535 -3.601 1.00 0.00 H new ATOM 0 HA LYS B 13 11.328 3.104 -2.931 1.00 0.00 H new ATOM 0 HB2 LYS B 13 10.982 5.253 -1.566 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.350 4.687 -1.270 1.00 0.00 H new ATOM 0 HG2 LYS B 13 10.829 4.128 0.600 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.205 2.676 -0.158 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.585 2.430 0.320 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.298 2.387 -1.408 1.00 0.00 H new ATOM 0 HE2 LYS B 13 12.981 4.784 -1.560 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.315 4.782 0.160 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.348 4.357 -0.853 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 14.831 2.824 -0.336 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.689 3.261 -1.970 1.00 0.00 H new ATOM 1298 N LYS B 14 8.055 3.029 -3.159 1.00 0.00 N ATOM 1299 CA LYS B 14 6.879 2.213 -3.386 1.00 0.00 C ATOM 1300 C LYS B 14 7.173 1.241 -4.526 1.00 0.00 C ATOM 1301 O LYS B 14 7.028 0.037 -4.377 1.00 0.00 O ATOM 1302 CB LYS B 14 5.711 3.157 -3.778 1.00 0.00 C ATOM 1303 CG LYS B 14 4.349 2.510 -3.995 1.00 0.00 C ATOM 1304 CD LYS B 14 3.277 3.551 -4.389 1.00 0.00 C ATOM 1305 CE LYS B 14 3.495 4.089 -5.796 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.564 5.209 -6.152 1.00 0.00 N ATOM 0 H LYS B 14 7.857 4.028 -3.209 1.00 0.00 H new ATOM 0 HA LYS B 14 6.613 1.647 -2.494 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.608 3.912 -2.999 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.989 3.679 -4.693 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.426 1.754 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.041 1.997 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.289 3.096 -4.324 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.295 4.377 -3.678 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.524 4.437 -5.889 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.367 3.277 -6.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.849 5.621 -7.064 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.593 4.843 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.603 5.941 -5.414 1.00 0.00 H new ATOM 1320 N LYS B 15 7.652 1.784 -5.645 1.00 0.00 N ATOM 1321 CA LYS B 15 7.979 1.002 -6.826 1.00 0.00 C ATOM 1322 C LYS B 15 9.108 0.002 -6.553 1.00 0.00 C ATOM 1323 O LYS B 15 9.042 -1.131 -7.020 1.00 0.00 O ATOM 1324 CB LYS B 15 8.284 1.910 -8.035 1.00 0.00 C ATOM 1325 CG LYS B 15 7.058 2.698 -8.513 1.00 0.00 C ATOM 1326 CD LYS B 15 7.348 3.718 -9.638 1.00 0.00 C ATOM 1327 CE LYS B 15 7.534 3.095 -11.039 1.00 0.00 C ATOM 1328 NZ LYS B 15 8.782 2.323 -11.200 1.00 0.00 N ATOM 0 H LYS B 15 7.823 2.784 -5.753 1.00 0.00 H new ATOM 0 HA LYS B 15 7.098 0.413 -7.083 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.077 2.608 -7.768 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.660 1.300 -8.856 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.304 1.994 -8.864 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.628 3.227 -7.663 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.529 4.436 -9.680 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.248 4.277 -9.381 1.00 0.00 H new ATOM 0 HE2 LYS B 15 6.687 2.442 -11.249 1.00 0.00 H new ATOM 0 HE3 LYS B 15 7.514 3.891 -11.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 9.150 2.454 -12.164 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 9.487 2.656 -10.512 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 8.589 1.314 -11.038 1.00 0.00 H new ATOM 1342 N GLU B 16 10.128 0.420 -5.776 1.00 0.00 N ATOM 1343 CA GLU B 16 11.220 -0.479 -5.369 1.00 0.00 C ATOM 1344 C GLU B 16 10.661 -1.671 -4.628 1.00 0.00 C ATOM 1345 O GLU B 16 11.031 -2.816 -4.888 1.00 0.00 O ATOM 1346 CB GLU B 16 12.233 0.206 -4.442 1.00 0.00 C ATOM 1347 CG GLU B 16 13.103 1.257 -5.065 1.00 0.00 C ATOM 1348 CD GLU B 16 14.185 1.679 -4.116 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.167 0.920 -3.960 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.081 2.731 -3.486 1.00 0.00 O ATOM 0 H GLU B 16 10.216 1.372 -5.420 1.00 0.00 H new ATOM 0 HA GLU B 16 11.727 -0.780 -6.286 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.687 0.661 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU B 16 12.878 -0.562 -4.014 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.547 0.872 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.498 2.120 -5.342 1.00 0.00 H new ATOM 1357 N LEU B 17 9.759 -1.386 -3.724 1.00 0.00 N ATOM 1358 CA LEU B 17 9.135 -2.386 -2.910 1.00 0.00 C ATOM 1359 C LEU B 17 8.282 -3.315 -3.745 1.00 0.00 C ATOM 1360 O LEU B 17 8.301 -4.533 -3.538 1.00 0.00 O ATOM 1361 CB LEU B 17 8.352 -1.706 -1.756 1.00 0.00 C ATOM 1362 CG LEU B 17 7.337 -2.538 -0.947 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.030 -2.707 -1.665 1.00 0.00 C ATOM 1364 CD2 LEU B 17 7.918 -3.855 -0.483 1.00 0.00 C ATOM 0 H LEU B 17 9.436 -0.438 -3.533 1.00 0.00 H new ATOM 0 HA LEU B 17 9.899 -3.016 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.083 -1.306 -1.054 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.817 -0.855 -2.178 1.00 0.00 H new ATOM 0 HG LEU B 17 7.115 -1.964 -0.047 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.352 -3.300 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.588 -1.728 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.199 -3.215 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.166 -4.405 0.082 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.224 -4.443 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.784 -3.667 0.152 1.00 0.00 H new ATOM 1376 N ILE B 18 7.535 -2.754 -4.668 1.00 0.00 N ATOM 1377 CA ILE B 18 6.675 -3.549 -5.517 1.00 0.00 C ATOM 1378 C ILE B 18 7.510 -4.568 -6.290 1.00 0.00 C ATOM 1379 O ILE B 18 7.144 -5.731 -6.395 1.00 0.00 O ATOM 1380 CB ILE B 18 5.865 -2.677 -6.502 1.00 0.00 C ATOM 1381 CG1 ILE B 18 4.979 -1.705 -5.731 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.012 -3.568 -7.401 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.388 -0.602 -6.573 1.00 0.00 C ATOM 0 H ILE B 18 7.505 -1.751 -4.851 1.00 0.00 H new ATOM 0 HA ILE B 18 5.962 -4.065 -4.874 1.00 0.00 H new ATOM 0 HB ILE B 18 6.555 -2.105 -7.123 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.168 -2.263 -5.264 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.564 -1.259 -4.927 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.443 -2.948 -8.094 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.658 -4.242 -7.964 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.325 -4.152 -6.788 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.772 0.043 -5.947 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.191 -0.015 -7.020 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.773 -1.036 -7.362 1.00 0.00 H new ATOM 1395 N GLN B 19 8.659 -4.123 -6.776 1.00 0.00 N ATOM 1396 CA GLN B 19 9.589 -4.984 -7.487 1.00 0.00 C ATOM 1397 C GLN B 19 10.096 -6.095 -6.576 1.00 0.00 C ATOM 1398 O GLN B 19 10.363 -7.214 -7.033 1.00 0.00 O ATOM 1399 CB GLN B 19 10.768 -4.183 -7.995 1.00 0.00 C ATOM 1400 CG GLN B 19 10.401 -3.087 -8.966 1.00 0.00 C ATOM 1401 CD GLN B 19 11.583 -2.224 -9.345 1.00 0.00 C ATOM 1402 OE1 GLN B 19 12.754 -2.801 -9.387 1.00 0.00 O flip ATOM 1403 NE2 GLN B 19 11.431 -1.032 -9.610 1.00 0.00 N flip ATOM 0 H GLN B 19 8.972 -3.156 -6.688 1.00 0.00 H new ATOM 0 HA GLN B 19 9.059 -5.425 -8.331 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.286 -3.740 -7.144 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.472 -4.861 -8.479 1.00 0.00 H new ATOM 0 HG2 GLN B 19 9.977 -3.532 -9.866 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.626 -2.461 -8.525 1.00 0.00 H new ATOM 0 HE21 GLN B 19 10.501 -0.614 -9.567 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.235 -0.461 -9.873 1.00 0.00 H new ATOM 1412 N LEU B 20 10.214 -5.787 -5.300 1.00 0.00 N ATOM 1413 CA LEU B 20 10.673 -6.741 -4.319 1.00 0.00 C ATOM 1414 C LEU B 20 9.614 -7.800 -4.031 1.00 0.00 C ATOM 1415 O LEU B 20 9.916 -8.990 -4.073 1.00 0.00 O ATOM 1416 CB LEU B 20 11.136 -6.060 -3.037 1.00 0.00 C ATOM 1417 CG LEU B 20 12.341 -5.130 -3.159 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.632 -4.491 -1.828 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.565 -5.888 -3.649 1.00 0.00 C ATOM 0 H LEU B 20 9.994 -4.868 -4.917 1.00 0.00 H new ATOM 0 HA LEU B 20 11.539 -7.246 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.301 -5.486 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.374 -6.833 -2.306 1.00 0.00 H new ATOM 0 HG LEU B 20 12.104 -4.355 -3.888 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.493 -3.829 -1.923 1.00 0.00 H new ATOM 0 HD12 LEU B 20 11.765 -3.915 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU B 20 12.849 -5.265 -1.092 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.410 -5.203 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.807 -6.683 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.357 -6.321 -4.627 1.00 0.00 H new ATOM 1431 N VAL B 21 8.364 -7.396 -3.743 1.00 0.00 N ATOM 1432 CA VAL B 21 7.316 -8.381 -3.560 1.00 0.00 C ATOM 1433 C VAL B 21 7.074 -9.180 -4.871 1.00 0.00 C ATOM 1434 O VAL B 21 6.634 -10.326 -4.849 1.00 0.00 O ATOM 1435 CB VAL B 21 5.990 -7.738 -3.086 1.00 0.00 C ATOM 1436 CG1 VAL B 21 6.204 -6.738 -1.986 1.00 0.00 C ATOM 1437 CG2 VAL B 21 5.170 -7.167 -4.213 1.00 0.00 C ATOM 0 H VAL B 21 8.073 -6.424 -3.637 1.00 0.00 H new ATOM 0 HA VAL B 21 7.656 -9.063 -2.781 1.00 0.00 H new ATOM 0 HB VAL B 21 5.401 -8.554 -2.668 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.245 -6.315 -1.688 1.00 0.00 H new ATOM 0 HG12 VAL B 21 6.665 -7.231 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL B 21 6.858 -5.941 -2.341 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.254 -6.732 -3.813 1.00 0.00 H new ATOM 0 HG22 VAL B 21 5.744 -6.396 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL B 21 4.917 -7.960 -4.917 1.00 0.00 H new ATOM 1447 N ALA B 22 7.384 -8.558 -5.999 1.00 0.00 N ATOM 1448 CA ALA B 22 7.218 -9.171 -7.297 1.00 0.00 C ATOM 1449 C ALA B 22 8.236 -10.280 -7.520 1.00 0.00 C ATOM 1450 O ALA B 22 7.876 -11.382 -7.955 1.00 0.00 O ATOM 1451 CB ALA B 22 7.312 -8.125 -8.387 1.00 0.00 C ATOM 0 H ALA B 22 7.759 -7.610 -6.034 1.00 0.00 H new ATOM 0 HA ALA B 22 6.227 -9.624 -7.334 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.185 -8.601 -9.360 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.531 -7.379 -8.243 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.288 -7.641 -8.344 1.00 0.00 H new ATOM 1457 N ARG B 23 9.499 -10.015 -7.161 1.00 0.00 N ATOM 1458 CA ARG B 23 10.594 -10.991 -7.338 1.00 0.00 C ATOM 1459 C ARG B 23 10.475 -12.151 -6.340 1.00 0.00 C ATOM 1460 O ARG B 23 11.235 -13.126 -6.399 1.00 0.00 O ATOM 1461 CB ARG B 23 11.973 -10.313 -7.254 1.00 0.00 C ATOM 1462 CG ARG B 23 12.259 -9.664 -5.920 1.00 0.00 C ATOM 1463 CD ARG B 23 13.551 -8.870 -5.923 1.00 0.00 C ATOM 1464 NE ARG B 23 14.743 -9.703 -6.107 1.00 0.00 N ATOM 1465 CZ ARG B 23 15.983 -9.220 -6.319 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.192 -7.898 -6.422 1.00 0.00 N ATOM 1467 NH2 ARG B 23 16.999 -10.054 -6.431 1.00 0.00 N ATOM 0 H ARG B 23 9.793 -9.132 -6.745 1.00 0.00 H new ATOM 0 HA ARG B 23 10.500 -11.411 -8.340 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.744 -11.056 -7.458 1.00 0.00 H new ATOM 0 HB3 ARG B 23 12.043 -9.557 -8.036 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.432 -9.005 -5.656 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.311 -10.433 -5.150 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.510 -8.126 -6.718 1.00 0.00 H new ATOM 0 HD3 ARG B 23 13.638 -8.327 -4.982 1.00 0.00 H new ATOM 0 HE ARG B 23 14.626 -10.716 -6.072 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.409 -7.250 -6.340 1.00 0.00 H new ATOM 0 HH12 ARG B 23 17.134 -7.542 -6.582 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.844 -11.059 -6.357 1.00 0.00 H new ATOM 0 HH22 ARG B 23 17.940 -9.693 -6.592 1.00 0.00 H new ATOM 1481 N HIS B 24 9.528 -12.017 -5.416 1.00 0.00 N ATOM 1482 CA HIS B 24 9.154 -13.088 -4.505 1.00 0.00 C ATOM 1483 C HIS B 24 8.480 -14.205 -5.319 1.00 0.00 C ATOM 1484 O HIS B 24 8.545 -15.386 -4.973 1.00 0.00 O ATOM 1485 CB HIS B 24 8.193 -12.537 -3.409 1.00 0.00 C ATOM 1486 CG HIS B 24 7.581 -13.580 -2.498 1.00 0.00 C ATOM 1487 ND1 HIS B 24 8.033 -14.101 -1.336 1.00 0.00 N flip ATOM 1488 CD2 HIS B 24 6.374 -14.203 -2.739 1.00 0.00 C flip ATOM 1489 CE1 HIS B 24 7.122 -15.040 -0.861 1.00 0.00 C flip ATOM 1490 NE2 HIS B 24 6.145 -15.060 -1.745 1.00 0.00 N flip ATOM 0 H HIS B 24 8.997 -11.157 -5.280 1.00 0.00 H new ATOM 0 HA HIS B 24 10.036 -13.489 -4.005 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.740 -11.820 -2.797 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.388 -11.989 -3.898 1.00 0.00 H new ATOM 0 HD2 HIS B 24 5.727 -14.027 -3.586 1.00 0.00 H new ATOM 0 HE1 HIS B 24 7.200 -15.628 0.042 1.00 0.00 H new ATOM 0 HE2 HIS B 24 5.319 -15.655 -1.677 1.00 0.00 H new ATOM 1498 N GLY B 25 7.853 -13.818 -6.409 1.00 0.00 N ATOM 1499 CA GLY B 25 7.224 -14.778 -7.264 1.00 0.00 C ATOM 1500 C GLY B 25 5.764 -14.500 -7.489 1.00 0.00 C ATOM 1501 O GLY B 25 4.940 -15.410 -7.407 1.00 0.00 O ATOM 0 H GLY B 25 7.770 -12.849 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.738 -14.791 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY B 25 7.336 -15.771 -6.829 1.00 0.00 H new ATOM 1505 N LEU B 26 5.429 -13.255 -7.747 1.00 0.00 N ATOM 1506 CA LEU B 26 4.060 -12.910 -8.073 1.00 0.00 C ATOM 1507 C LEU B 26 3.802 -13.062 -9.538 1.00 0.00 C ATOM 1508 O LEU B 26 4.740 -13.036 -10.351 1.00 0.00 O ATOM 1509 CB LEU B 26 3.723 -11.470 -7.681 1.00 0.00 C ATOM 1510 CG LEU B 26 3.483 -11.189 -6.220 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.052 -9.750 -5.985 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.516 -12.179 -5.600 1.00 0.00 C ATOM 0 H LEU B 26 6.079 -12.469 -7.738 1.00 0.00 H new ATOM 0 HA LEU B 26 3.431 -13.595 -7.505 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.538 -10.829 -8.018 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.832 -11.170 -8.233 1.00 0.00 H new ATOM 0 HG LEU B 26 4.438 -11.323 -5.711 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.889 -9.588 -4.919 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.830 -9.074 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.127 -9.554 -6.527 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.373 -11.937 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.558 -12.125 -6.118 1.00 0.00 H new ATOM 0 HD23 LEU B 26 2.920 -13.187 -5.689 1.00 0.00 H new ATOM 1524 N ASP B 27 2.544 -13.251 -9.875 1.00 0.00 N ATOM 1525 CA ASP B 27 2.102 -13.191 -11.266 1.00 0.00 C ATOM 1526 C ASP B 27 2.265 -11.751 -11.665 1.00 0.00 C ATOM 1527 O ASP B 27 2.254 -10.873 -10.784 1.00 0.00 O ATOM 1528 CB ASP B 27 0.587 -13.506 -11.433 1.00 0.00 C ATOM 1529 CG ASP B 27 0.118 -14.859 -10.949 1.00 0.00 C ATOM 1530 OD1 ASP B 27 0.245 -15.850 -11.688 1.00 0.00 O ATOM 1531 OD2 ASP B 27 -0.442 -14.944 -9.825 1.00 0.00 O ATOM 0 H ASP B 27 1.800 -13.449 -9.206 1.00 0.00 H new ATOM 0 HA ASP B 27 2.671 -13.913 -11.852 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.020 -12.740 -10.904 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.335 -13.416 -12.490 1.00 0.00 H new ATOM 1536 N HIS B 28 2.373 -11.472 -12.934 1.00 0.00 N ATOM 1537 CA HIS B 28 2.473 -10.090 -13.384 1.00 0.00 C ATOM 1538 C HIS B 28 1.199 -9.341 -12.963 1.00 0.00 C ATOM 1539 O HIS B 28 1.247 -8.192 -12.534 1.00 0.00 O ATOM 1540 CB HIS B 28 2.687 -10.029 -14.902 1.00 0.00 C ATOM 1541 CG HIS B 28 2.901 -8.642 -15.441 1.00 0.00 C ATOM 1542 ND1 HIS B 28 2.136 -8.080 -16.434 1.00 0.00 N ATOM 1543 CD2 HIS B 28 3.835 -7.716 -15.118 1.00 0.00 C ATOM 1544 CE1 HIS B 28 2.611 -6.859 -16.683 1.00 0.00 C ATOM 1545 NE2 HIS B 28 3.651 -6.583 -15.904 1.00 0.00 N ATOM 0 H HIS B 28 2.395 -12.169 -13.679 1.00 0.00 H new ATOM 0 HA HIS B 28 3.336 -9.611 -12.921 1.00 0.00 H new ATOM 0 HB2 HIS B 28 3.549 -10.644 -15.161 1.00 0.00 H new ATOM 0 HB3 HIS B 28 1.821 -10.469 -15.397 1.00 0.00 H new ATOM 0 HD2 HIS B 28 4.602 -7.838 -14.368 1.00 0.00 H new ATOM 0 HE1 HIS B 28 2.204 -6.184 -17.421 1.00 0.00 H new ATOM 0 HE2 HIS B 28 4.199 -5.723 -15.886 1.00 0.00 H new ATOM 1553 N ASP B 29 0.093 -10.061 -13.010 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.214 -9.583 -12.594 1.00 0.00 C ATOM 1555 C ASP B 29 -1.215 -9.208 -11.120 1.00 0.00 C ATOM 1556 O ASP B 29 -1.768 -8.183 -10.735 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.240 -10.669 -12.851 1.00 0.00 C ATOM 1558 CG ASP B 29 -3.612 -10.347 -12.331 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -4.344 -9.572 -12.989 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -4.004 -10.919 -11.305 1.00 0.00 O ATOM 0 H ASP B 29 0.078 -11.023 -13.349 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.463 -8.690 -13.168 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.302 -10.849 -13.924 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -1.896 -11.596 -12.391 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.553 -10.031 -10.307 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.437 -9.785 -8.874 1.00 0.00 C ATOM 1567 C LYS B 30 0.299 -8.484 -8.638 1.00 0.00 C ATOM 1568 O LYS B 30 -0.125 -7.668 -7.836 1.00 0.00 O ATOM 1569 CB LYS B 30 0.306 -10.932 -8.186 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.445 -12.244 -8.110 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.683 -12.173 -7.242 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.372 -13.529 -7.184 1.00 0.00 C ATOM 1573 NZ LYS B 30 -2.740 -14.040 -8.533 1.00 0.00 N ATOM 0 H LYS B 30 -0.086 -10.881 -10.623 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.439 -9.719 -8.451 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.245 -11.101 -8.713 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.561 -10.620 -7.173 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.732 -12.550 -9.116 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.221 -13.014 -7.720 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.411 -11.853 -6.236 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.370 -11.426 -7.639 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -1.714 -14.247 -6.694 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -3.270 -13.451 -6.571 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -3.469 -14.776 -8.439 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -3.110 -13.259 -9.111 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -1.899 -14.443 -8.993 1.00 0.00 H new ATOM 1587 N VAL B 31 1.380 -8.290 -9.385 1.00 0.00 N ATOM 1588 CA VAL B 31 2.176 -7.071 -9.313 1.00 0.00 C ATOM 1589 C VAL B 31 1.304 -5.861 -9.678 1.00 0.00 C ATOM 1590 O VAL B 31 1.328 -4.831 -8.994 1.00 0.00 O ATOM 1591 CB VAL B 31 3.398 -7.133 -10.276 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.313 -5.937 -10.088 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.165 -8.429 -10.100 1.00 0.00 C ATOM 0 H VAL B 31 1.729 -8.973 -10.057 1.00 0.00 H new ATOM 0 HA VAL B 31 2.547 -6.972 -8.293 1.00 0.00 H new ATOM 0 HB VAL B 31 3.013 -7.101 -11.295 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.156 -6.012 -10.775 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.760 -5.020 -10.291 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.682 -5.919 -9.063 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.013 -8.446 -10.785 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.525 -8.502 -9.074 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.509 -9.272 -10.315 1.00 0.00 H new ATOM 1603 N LEU B 32 0.510 -6.015 -10.728 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.399 -4.966 -11.198 1.00 0.00 C ATOM 1605 C LEU B 32 -1.443 -4.627 -10.141 1.00 0.00 C ATOM 1606 O LEU B 32 -1.678 -3.463 -9.845 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.092 -5.394 -12.490 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.180 -5.770 -13.657 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -0.994 -6.144 -14.868 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.793 -4.650 -13.980 1.00 0.00 C ATOM 0 H LEU B 32 0.474 -6.870 -11.283 1.00 0.00 H new ATOM 0 HA LEU B 32 0.198 -4.075 -11.392 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.732 -6.248 -12.268 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.744 -4.582 -12.813 1.00 0.00 H new ATOM 0 HG LEU B 32 0.406 -6.639 -13.358 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.326 -6.408 -15.688 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.631 -6.996 -14.629 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.615 -5.299 -15.164 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.428 -4.949 -14.814 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.237 -3.752 -14.250 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.414 -4.444 -13.108 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.033 -5.642 -9.554 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.066 -5.447 -8.543 1.00 0.00 C ATOM 1624 C LEU B 33 -2.487 -4.879 -7.262 1.00 0.00 C ATOM 1625 O LEU B 33 -3.125 -4.066 -6.592 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.777 -6.752 -8.242 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.533 -7.403 -9.397 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -5.005 -8.788 -9.002 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.712 -6.543 -9.827 1.00 0.00 C ATOM 0 H LEU B 33 -1.819 -6.619 -9.755 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.783 -4.732 -8.947 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -3.039 -7.465 -7.874 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.482 -6.576 -7.430 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.852 -7.493 -10.243 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.543 -9.241 -9.835 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.145 -9.407 -8.747 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.668 -8.714 -8.140 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.235 -7.028 -10.651 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.396 -6.417 -8.988 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.351 -5.567 -10.151 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.297 -5.314 -6.923 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.628 -4.846 -5.736 1.00 0.00 C ATOM 1643 C PHE B 34 -0.227 -3.386 -5.883 1.00 0.00 C ATOM 1644 O PHE B 34 -0.516 -2.576 -5.012 1.00 0.00 O ATOM 1645 CB PHE B 34 0.597 -5.718 -5.422 1.00 0.00 C ATOM 1646 CG PHE B 34 1.378 -5.258 -4.229 1.00 0.00 C ATOM 1647 CD1 PHE B 34 0.934 -5.527 -2.947 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.546 -4.538 -4.389 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.644 -5.087 -1.854 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.253 -4.096 -3.301 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.804 -4.370 -2.036 1.00 0.00 C ATOM 0 H PHE B 34 -0.768 -6.000 -7.461 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.324 -4.924 -4.901 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.268 -6.744 -5.255 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.254 -5.731 -6.292 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.022 -6.087 -2.803 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.907 -4.321 -5.384 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.292 -5.304 -0.856 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.163 -3.532 -3.441 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.362 -4.022 -1.179 1.00 0.00 H new ATOM 1661 N SER B 35 0.409 -3.061 -6.997 1.00 0.00 N ATOM 1662 CA SER B 35 0.895 -1.713 -7.242 1.00 0.00 C ATOM 1663 C SER B 35 -0.217 -0.673 -7.191 1.00 0.00 C ATOM 1664 O SER B 35 -0.092 0.337 -6.492 1.00 0.00 O ATOM 1665 CB SER B 35 1.667 -1.652 -8.564 1.00 0.00 C ATOM 1666 OG SER B 35 0.934 -2.236 -9.624 1.00 0.00 O ATOM 0 H SER B 35 0.602 -3.719 -7.752 1.00 0.00 H new ATOM 0 HA SER B 35 1.581 -1.462 -6.433 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.893 -0.614 -8.806 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.621 -2.168 -8.453 1.00 0.00 H new ATOM 0 HG SER B 35 1.089 -3.204 -9.635 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.317 -0.948 -7.878 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.427 -0.015 -7.919 1.00 0.00 C ATOM 1674 C ARG B 36 -3.096 0.124 -6.545 1.00 0.00 C ATOM 1675 O ARG B 36 -3.495 1.214 -6.156 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.435 -0.411 -9.013 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.087 -1.761 -8.802 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.885 -2.207 -10.009 1.00 0.00 C ATOM 1679 NE ARG B 36 -5.973 -1.281 -10.359 1.00 0.00 N ATOM 1680 CZ ARG B 36 -7.283 -1.537 -10.187 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -7.684 -2.615 -9.515 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -8.180 -0.705 -10.671 1.00 0.00 N ATOM 0 H ARG B 36 -1.462 -1.806 -8.411 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.032 0.968 -8.177 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.213 0.351 -9.066 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -2.925 -0.414 -9.976 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.319 -2.503 -8.582 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.743 -1.714 -7.933 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.215 -2.309 -10.862 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.305 -3.194 -9.814 1.00 0.00 H new ATOM 0 HE ARG B 36 -5.716 -0.380 -10.761 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -6.995 -3.258 -9.124 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -8.680 -2.798 -9.392 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -7.882 0.130 -11.174 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -9.174 -0.895 -10.543 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.159 -0.972 -5.793 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.799 -0.955 -4.470 1.00 0.00 C ATOM 1698 C ASP B 37 -2.923 -0.164 -3.503 1.00 0.00 C ATOM 1699 O ASP B 37 -3.398 0.724 -2.772 1.00 0.00 O ATOM 1700 CB ASP B 37 -3.947 -2.376 -3.947 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.011 -2.517 -2.884 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -4.864 -1.974 -1.793 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -6.024 -3.219 -3.138 1.00 0.00 O ATOM 0 H ASP B 37 -2.780 -1.878 -6.069 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.783 -0.494 -4.553 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.185 -3.038 -4.779 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -2.991 -2.707 -3.540 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.631 -0.471 -3.543 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.618 0.175 -2.721 1.00 0.00 C ATOM 1710 C LEU B 38 -0.599 1.677 -2.969 1.00 0.00 C ATOM 1711 O LEU B 38 -0.481 2.469 -2.028 1.00 0.00 O ATOM 1712 CB LEU B 38 0.754 -0.454 -3.014 1.00 0.00 C ATOM 1713 CG LEU B 38 1.982 0.209 -2.389 1.00 0.00 C ATOM 1714 CD1 LEU B 38 1.857 0.304 -0.895 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.230 -0.555 -2.752 1.00 0.00 C ATOM 0 H LEU B 38 -1.253 -1.190 -4.160 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.858 0.022 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.726 -1.492 -2.682 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.893 -0.469 -4.095 1.00 0.00 H new ATOM 0 HG LEU B 38 2.050 1.221 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.748 0.780 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.979 0.897 -0.640 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.754 -0.696 -0.474 1.00 0.00 H new ATOM 0 HD21 LEU B 38 4.097 -0.072 -2.300 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.151 -1.577 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.346 -0.569 -3.836 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.732 2.050 -4.229 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.780 3.449 -4.641 1.00 0.00 C ATOM 1729 C ASP B 39 -1.893 4.181 -3.902 1.00 0.00 C ATOM 1730 O ASP B 39 -1.669 5.227 -3.293 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.984 3.544 -6.160 1.00 0.00 C ATOM 1732 CG ASP B 39 -1.096 4.966 -6.656 1.00 0.00 C ATOM 1733 OD1 ASP B 39 -0.065 5.683 -6.639 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -2.213 5.374 -7.089 1.00 0.00 O ATOM 0 H ASP B 39 -0.811 1.390 -5.003 1.00 0.00 H new ATOM 0 HA ASP B 39 0.168 3.924 -4.388 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.150 3.055 -6.664 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.887 2.998 -6.434 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.060 3.575 -3.880 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.227 4.152 -3.227 1.00 0.00 C ATOM 1741 C LYS B 40 -4.112 4.184 -1.720 1.00 0.00 C ATOM 1742 O LYS B 40 -4.635 5.097 -1.083 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.523 3.460 -3.659 1.00 0.00 C ATOM 1744 CG LYS B 40 -6.075 3.949 -4.989 1.00 0.00 C ATOM 1745 CD LYS B 40 -5.082 3.798 -6.105 1.00 0.00 C ATOM 1746 CE LYS B 40 -5.501 4.531 -7.338 1.00 0.00 C ATOM 1747 NZ LYS B 40 -4.460 4.454 -8.366 1.00 0.00 N ATOM 0 H LYS B 40 -3.232 2.668 -4.313 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.266 5.189 -3.561 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.345 2.387 -3.725 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.278 3.611 -2.887 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.980 3.392 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -6.361 4.997 -4.899 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -4.111 4.168 -5.777 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -4.958 2.740 -6.338 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -6.429 4.107 -7.721 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -5.703 5.574 -7.096 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -4.810 4.881 -9.247 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -3.615 4.968 -8.044 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -4.214 3.458 -8.537 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.440 3.205 -1.145 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.251 3.177 0.294 1.00 0.00 C ATOM 1763 C LEU B 41 -2.320 4.301 0.717 1.00 0.00 C ATOM 1764 O LEU B 41 -2.586 5.012 1.693 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.720 1.814 0.771 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.428 1.688 2.280 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.667 1.993 3.119 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.888 0.307 2.605 1.00 0.00 C ATOM 0 H LEU B 41 -3.018 2.424 -1.647 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.222 3.326 0.767 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.446 1.048 0.497 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.803 1.593 0.225 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.669 2.428 2.533 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.423 1.894 4.177 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -4.002 3.011 2.917 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.462 1.292 2.863 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.688 0.237 3.674 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.623 -0.447 2.323 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.965 0.138 2.051 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.269 4.496 -0.046 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.315 5.541 0.249 1.00 0.00 C ATOM 1782 C ILE B 42 -0.923 6.904 0.001 1.00 0.00 C ATOM 1783 O ILE B 42 -0.912 7.751 0.881 1.00 0.00 O ATOM 1784 CB ILE B 42 1.012 5.379 -0.536 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.696 4.085 -0.108 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.935 6.577 -0.300 1.00 0.00 C ATOM 1787 CD1 ILE B 42 3.025 3.826 -0.773 1.00 0.00 C ATOM 0 H ILE B 42 -1.053 3.944 -0.876 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.066 5.452 1.306 1.00 0.00 H new ATOM 0 HB ILE B 42 0.790 5.335 -1.602 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.843 4.108 0.972 1.00 0.00 H new ATOM 0 HG13 ILE B 42 1.029 3.250 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.859 6.440 -0.861 1.00 0.00 H new ATOM 0 HG22 ILE B 42 1.440 7.489 -0.633 1.00 0.00 H new ATOM 0 HG23 ILE B 42 2.164 6.656 0.763 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.437 2.885 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.886 3.767 -1.853 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.713 4.638 -0.539 1.00 0.00 H new ATOM 1799 N ASN B 43 -1.519 7.089 -1.170 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.136 8.371 -1.543 1.00 0.00 C ATOM 1801 C ASN B 43 -3.251 8.767 -0.574 1.00 0.00 C ATOM 1802 O ASN B 43 -3.530 9.954 -0.373 1.00 0.00 O ATOM 1803 CB ASN B 43 -2.634 8.358 -3.001 1.00 0.00 C ATOM 1804 CG ASN B 43 -1.484 8.335 -4.019 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -0.391 8.881 -3.776 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -1.706 7.708 -5.146 1.00 0.00 N ATOM 0 H ASN B 43 -1.592 6.367 -1.887 1.00 0.00 H new ATOM 0 HA ASN B 43 -1.360 9.133 -1.471 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -3.269 7.486 -3.156 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -3.253 9.238 -3.177 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -0.974 7.657 -5.854 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -2.611 7.270 -5.316 1.00 0.00 H new ATOM 1813 N LYS B 44 -3.842 7.763 0.057 1.00 0.00 N ATOM 1814 CA LYS B 44 -4.860 7.950 1.073 1.00 0.00 C ATOM 1815 C LYS B 44 -4.249 8.671 2.272 1.00 0.00 C ATOM 1816 O LYS B 44 -4.709 9.746 2.670 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.376 6.583 1.510 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.555 6.605 2.466 1.00 0.00 C ATOM 1819 CD LYS B 44 -6.938 5.202 2.913 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.242 4.279 1.733 1.00 0.00 C ATOM 1821 NZ LYS B 44 -8.283 4.815 0.823 1.00 0.00 N ATOM 0 H LYS B 44 -3.623 6.784 -0.127 1.00 0.00 H new ATOM 0 HA LYS B 44 -5.681 8.545 0.674 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -5.662 6.021 0.621 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.558 6.039 1.982 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.306 7.210 3.338 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.409 7.079 1.982 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.126 4.777 3.504 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.811 5.256 3.563 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -6.326 4.111 1.167 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -7.565 3.310 2.113 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -8.528 4.095 0.114 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -9.131 5.062 1.373 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -7.921 5.664 0.344 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.177 8.101 2.805 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.494 8.670 3.956 1.00 0.00 C ATOM 1837 C PHE B 45 -1.752 9.952 3.599 1.00 0.00 C ATOM 1838 O PHE B 45 -1.587 10.844 4.435 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.570 7.649 4.622 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.308 6.660 5.483 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -2.889 5.528 4.942 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.418 6.875 6.851 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.567 4.632 5.745 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.094 5.981 7.656 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.665 4.858 7.102 1.00 0.00 C ATOM 0 H PHE B 45 -2.760 7.239 2.455 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.260 8.938 4.684 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.018 7.110 3.852 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -0.835 8.176 5.231 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -2.812 5.343 3.881 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -1.969 7.753 7.290 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.021 3.754 5.310 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.175 6.162 8.718 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.190 4.154 7.730 1.00 0.00 H new ATOM 1855 N MET B 46 -1.357 10.054 2.339 1.00 0.00 N ATOM 1856 CA MET B 46 -0.700 11.250 1.812 1.00 0.00 C ATOM 1857 C MET B 46 -1.671 12.405 1.720 1.00 0.00 C ATOM 1858 O MET B 46 -1.272 13.542 1.475 1.00 0.00 O ATOM 1859 CB MET B 46 -0.078 10.982 0.447 1.00 0.00 C ATOM 1860 CG MET B 46 1.111 10.050 0.492 1.00 0.00 C ATOM 1861 SD MET B 46 2.484 10.738 1.412 1.00 0.00 S ATOM 1862 CE MET B 46 2.906 12.118 0.358 1.00 0.00 C ATOM 0 H MET B 46 -1.481 9.312 1.650 1.00 0.00 H new ATOM 0 HA MET B 46 0.096 11.517 2.507 1.00 0.00 H new ATOM 0 HB2 MET B 46 -0.836 10.557 -0.211 1.00 0.00 H new ATOM 0 HB3 MET B 46 0.231 11.930 0.006 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.811 9.105 0.945 1.00 0.00 H new ATOM 0 HG3 MET B 46 1.434 9.828 -0.525 1.00 0.00 H new ATOM 0 HE1 MET B 46 3.958 12.370 0.493 1.00 0.00 H new ATOM 0 HE2 MET B 46 2.728 11.849 -0.683 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.290 12.978 0.621 1.00 0.00 H new