USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 379 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 191 ASN : amide:sc= 0.851 K(o=1.2,f=-5.5!) USER MOD Set 1.2: A 198 THR OG1 : rot 119:sc= 0.39 USER MOD Set 2.1: A 182 THR OG1 : rot 74:sc= 0.45 USER MOD Set 2.2: A 186 GLN : amide:sc= -1.43! K(o=-0.98!,f=0.24) USER MOD Single : A 179 MET CE :methyl 173:sc= -7! (180deg=-7.67!) USER MOD Single : A 181 LYS NZ :NH3+ 161:sc= -0.524 (180deg=-0.967) USER MOD Single : A 183 SER OG : rot 180:sc= 0.00755 USER MOD Single : A 184 SER OG : rot 180:sc= 0.00654 USER MOD Single : A 188 TYR OH : rot 180:sc= -1.56! USER MOD Single : A 192 HIS : no HD1:sc= -2.24! C(o=-2.2!,f=-5.8!) USER MOD Single : A 195 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 196 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 THR OG1 : rot 180:sc= 0 USER MOD Single : A 200 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.87) USER MOD Single : A 204 LYS NZ :NH3+ 173:sc=-0.00789 (180deg=-0.0844) USER MOD Single : B 206 SER OG : rot 51:sc= -0.69 USER MOD Single : B 211 TYR OH : rot 180:sc=-0.00511 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 159:sc= -0.241 (180deg=-0.953) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 170 11.798 8.485 6.931 1.00 15.00 N ATOM 2 CA ASP A 170 11.230 8.374 5.568 1.00 15.00 C ATOM 3 C ASP A 170 11.751 7.132 4.841 1.00 15.00 C ATOM 4 O ASP A 170 11.264 6.793 3.767 1.00 15.00 O ATOM 5 CB ASP A 170 11.536 9.635 4.753 1.00 15.00 C ATOM 6 CG ASP A 170 13.019 9.863 4.545 1.00 15.00 C ATOM 7 OD1 ASP A 170 13.783 9.728 5.520 1.00 15.00 O1- ATOM 8 OD2 ASP A 170 13.419 10.190 3.410 1.00 15.00 O ATOM 0 HA ASP A 170 10.149 8.273 5.669 1.00 15.00 H new ATOM 0 HB2 ASP A 170 11.046 9.561 3.782 1.00 15.00 H new ATOM 0 HB3 ASP A 170 11.109 10.500 5.260 1.00 15.00 H new ATOM 15 N VAL A 171 12.756 6.465 5.408 1.00 15.00 N ATOM 16 CA VAL A 171 13.240 5.203 4.851 1.00 15.00 C ATOM 17 C VAL A 171 12.353 4.010 5.245 1.00 15.00 C ATOM 18 O VAL A 171 11.950 3.237 4.376 1.00 15.00 O ATOM 19 CB VAL A 171 14.707 4.923 5.255 1.00 15.00 C ATOM 20 CG1 VAL A 171 15.138 3.525 4.826 1.00 15.00 C ATOM 21 CG2 VAL A 171 15.626 5.966 4.644 1.00 15.00 C ATOM 0 H VAL A 171 13.247 6.775 6.246 1.00 15.00 H new ATOM 0 HA VAL A 171 13.191 5.316 3.768 1.00 15.00 H new ATOM 0 HB VAL A 171 14.776 4.980 6.341 1.00 15.00 H new ATOM 0 HG11 VAL A 171 16.173 3.356 5.123 1.00 15.00 H new ATOM 0 HG12 VAL A 171 14.498 2.784 5.305 1.00 15.00 H new ATOM 0 HG13 VAL A 171 15.052 3.434 3.743 1.00 15.00 H new ATOM 0 HG21 VAL A 171 16.656 5.759 4.935 1.00 15.00 H new ATOM 0 HG22 VAL A 171 15.542 5.933 3.558 1.00 15.00 H new ATOM 0 HG23 VAL A 171 15.340 6.956 5.000 1.00 15.00 H new ATOM 31 N PRO A 172 12.024 3.832 6.555 1.00 15.00 N ATOM 32 CA PRO A 172 11.170 2.721 7.009 1.00 15.00 C ATOM 33 C PRO A 172 9.794 2.720 6.344 1.00 15.00 C ATOM 34 O PRO A 172 9.090 1.715 6.363 1.00 15.00 O ATOM 35 CB PRO A 172 11.037 2.934 8.523 1.00 15.00 C ATOM 36 CG PRO A 172 11.475 4.338 8.763 1.00 15.00 C ATOM 37 CD PRO A 172 12.479 4.650 7.694 1.00 15.00 C ATOM 0 HA PRO A 172 11.609 1.759 6.747 1.00 15.00 H new ATOM 0 HB2 PRO A 172 10.009 2.781 8.853 1.00 15.00 H new ATOM 0 HB3 PRO A 172 11.658 2.229 9.075 1.00 15.00 H new ATOM 0 HG2 PRO A 172 10.629 5.024 8.715 1.00 15.00 H new ATOM 0 HG3 PRO A 172 11.916 4.445 9.754 1.00 15.00 H new ATOM 0 HD2 PRO A 172 12.489 5.712 7.449 1.00 15.00 H new ATOM 0 HD3 PRO A 172 13.490 4.385 8.002 1.00 15.00 H new ATOM 45 N LEU A 173 9.410 3.858 5.787 1.00 15.00 N ATOM 46 CA LEU A 173 8.193 3.964 4.999 1.00 15.00 C ATOM 47 C LEU A 173 8.455 4.872 3.801 1.00 15.00 C ATOM 48 O LEU A 173 8.562 6.087 3.965 1.00 15.00 O ATOM 49 CB LEU A 173 7.029 4.527 5.827 1.00 15.00 C ATOM 50 CG LEU A 173 6.534 3.656 6.990 1.00 15.00 C ATOM 51 CD1 LEU A 173 5.484 4.407 7.789 1.00 15.00 C ATOM 52 CD2 LEU A 173 5.957 2.334 6.488 1.00 15.00 C ATOM 0 H LEU A 173 9.931 4.731 5.868 1.00 15.00 H new ATOM 0 HA LEU A 173 7.911 2.965 4.666 1.00 15.00 H new ATOM 0 HB2 LEU A 173 7.332 5.494 6.229 1.00 15.00 H new ATOM 0 HB3 LEU A 173 6.190 4.710 5.156 1.00 15.00 H new ATOM 0 HG LEU A 173 7.387 3.431 7.630 1.00 15.00 H new ATOM 0 HD11 LEU A 173 5.138 3.782 8.612 1.00 15.00 H new ATOM 0 HD12 LEU A 173 5.917 5.325 8.187 1.00 15.00 H new ATOM 0 HD13 LEU A 173 4.642 4.654 7.142 1.00 15.00 H new ATOM 0 HD21 LEU A 173 5.616 1.741 7.336 1.00 15.00 H new ATOM 0 HD22 LEU A 173 5.117 2.533 5.823 1.00 15.00 H new ATOM 0 HD23 LEU A 173 6.726 1.784 5.946 1.00 15.00 H new ATOM 64 N PRO A 174 8.615 4.281 2.599 1.00 15.00 N ATOM 65 CA PRO A 174 8.902 5.025 1.364 1.00 15.00 C ATOM 66 C PRO A 174 7.969 6.216 1.147 1.00 15.00 C ATOM 67 O PRO A 174 6.788 6.178 1.502 1.00 15.00 O ATOM 68 CB PRO A 174 8.701 3.977 0.267 1.00 15.00 C ATOM 69 CG PRO A 174 8.987 2.680 0.927 1.00 15.00 C ATOM 70 CD PRO A 174 8.539 2.829 2.353 1.00 15.00 C ATOM 0 HA PRO A 174 9.900 5.463 1.384 1.00 15.00 H new ATOM 0 HB2 PRO A 174 7.685 4.005 -0.126 1.00 15.00 H new ATOM 0 HB3 PRO A 174 9.373 4.150 -0.574 1.00 15.00 H new ATOM 0 HG2 PRO A 174 8.454 1.867 0.434 1.00 15.00 H new ATOM 0 HG3 PRO A 174 10.050 2.443 0.875 1.00 15.00 H new ATOM 0 HD2 PRO A 174 7.526 2.452 2.495 1.00 15.00 H new ATOM 0 HD3 PRO A 174 9.184 2.274 3.034 1.00 15.00 H new ATOM 78 N ALA A 175 8.502 7.253 0.518 1.00 15.00 N ATOM 79 CA ALA A 175 7.763 8.487 0.303 1.00 15.00 C ATOM 80 C ALA A 175 7.000 8.437 -1.015 1.00 15.00 C ATOM 81 O ALA A 175 7.538 8.009 -2.040 1.00 15.00 O ATOM 82 CB ALA A 175 8.714 9.673 0.325 1.00 15.00 C ATOM 0 H ALA A 175 9.451 7.263 0.145 1.00 15.00 H new ATOM 0 HA ALA A 175 7.038 8.603 1.108 1.00 15.00 H new ATOM 0 HB1 ALA A 175 8.152 10.593 0.163 1.00 15.00 H new ATOM 0 HB2 ALA A 175 9.216 9.719 1.292 1.00 15.00 H new ATOM 0 HB3 ALA A 175 9.457 9.558 -0.464 1.00 15.00 H new ATOM 88 N GLY A 176 5.753 8.891 -0.972 1.00 15.00 N ATOM 89 CA GLY A 176 4.871 8.800 -2.119 1.00 15.00 C ATOM 90 C GLY A 176 4.090 7.502 -2.112 1.00 15.00 C ATOM 91 O GLY A 176 3.468 7.126 -3.110 1.00 15.00 O ATOM 0 H GLY A 176 5.333 9.326 -0.151 1.00 15.00 H new ATOM 0 HA2 GLY A 176 4.180 9.643 -2.116 1.00 15.00 H new ATOM 0 HA3 GLY A 176 5.456 8.870 -3.036 1.00 15.00 H new ATOM 95 N TRP A 177 4.096 6.837 -0.964 1.00 15.00 N ATOM 96 CA TRP A 177 3.445 5.547 -0.809 1.00 15.00 C ATOM 97 C TRP A 177 2.451 5.590 0.344 1.00 15.00 C ATOM 98 O TRP A 177 2.698 6.232 1.366 1.00 15.00 O ATOM 99 CB TRP A 177 4.486 4.455 -0.535 1.00 15.00 C ATOM 100 CG TRP A 177 5.443 4.211 -1.664 1.00 15.00 C ATOM 101 CD1 TRP A 177 6.515 4.978 -2.012 1.00 15.00 C ATOM 102 CD2 TRP A 177 5.427 3.109 -2.577 1.00 15.00 C ATOM 103 NE1 TRP A 177 7.161 4.428 -3.089 1.00 15.00 N ATOM 104 CE2 TRP A 177 6.513 3.281 -3.455 1.00 15.00 C ATOM 105 CE3 TRP A 177 4.600 1.998 -2.741 1.00 15.00 C ATOM 106 CZ2 TRP A 177 6.794 2.383 -4.478 1.00 15.00 C ATOM 107 CZ3 TRP A 177 4.879 1.105 -3.756 1.00 15.00 C ATOM 108 CH2 TRP A 177 5.968 1.303 -4.612 1.00 15.00 C ATOM 0 H TRP A 177 4.552 7.177 -0.117 1.00 15.00 H new ATOM 0 HA TRP A 177 2.916 5.320 -1.734 1.00 15.00 H new ATOM 0 HB2 TRP A 177 5.055 4.728 0.354 1.00 15.00 H new ATOM 0 HB3 TRP A 177 3.966 3.524 -0.308 1.00 15.00 H new ATOM 0 HD1 TRP A 177 6.812 5.888 -1.512 1.00 15.00 H new ATOM 0 HE1 TRP A 177 7.990 4.812 -3.543 1.00 15.00 H new ATOM 0 HE3 TRP A 177 3.756 1.839 -2.086 1.00 15.00 H new ATOM 0 HZ2 TRP A 177 7.633 2.533 -5.141 1.00 15.00 H new ATOM 0 HZ3 TRP A 177 4.247 0.240 -3.892 1.00 15.00 H new ATOM 0 HH2 TRP A 177 6.160 0.586 -5.396 1.00 15.00 H new ATOM 119 N GLU A 178 1.330 4.909 0.179 1.00 15.00 N ATOM 120 CA GLU A 178 0.364 4.767 1.257 1.00 15.00 C ATOM 121 C GLU A 178 0.696 3.514 2.045 1.00 15.00 C ATOM 122 O GLU A 178 0.588 2.400 1.526 1.00 15.00 O ATOM 123 CB GLU A 178 -1.062 4.678 0.717 1.00 15.00 C ATOM 124 CG GLU A 178 -2.129 4.774 1.793 1.00 15.00 C ATOM 125 CD GLU A 178 -2.023 6.053 2.594 1.00 15.00 C ATOM 126 OE1 GLU A 178 -2.586 7.080 2.158 1.00 15.00 O1- ATOM 127 OE2 GLU A 178 -1.361 6.038 3.653 1.00 15.00 O ATOM 0 H GLU A 178 1.066 4.446 -0.690 1.00 15.00 H new ATOM 0 HA GLU A 178 0.420 5.646 1.900 1.00 15.00 H new ATOM 0 HB2 GLU A 178 -1.217 5.477 -0.008 1.00 15.00 H new ATOM 0 HB3 GLU A 178 -1.181 3.735 0.183 1.00 15.00 H new ATOM 0 HG2 GLU A 178 -3.114 4.718 1.330 1.00 15.00 H new ATOM 0 HG3 GLU A 178 -2.043 3.919 2.464 1.00 15.00 H new ATOM 134 N MET A 179 1.114 3.699 3.283 1.00 15.00 N ATOM 135 CA MET A 179 1.595 2.593 4.091 1.00 15.00 C ATOM 136 C MET A 179 0.503 2.106 5.028 1.00 15.00 C ATOM 137 O MET A 179 0.196 2.775 6.016 1.00 15.00 O ATOM 138 CB MET A 179 2.817 3.025 4.911 1.00 15.00 C ATOM 139 CG MET A 179 3.768 3.950 4.163 1.00 15.00 C ATOM 140 SD MET A 179 4.386 3.240 2.625 1.00 15.00 S ATOM 141 CE MET A 179 5.419 1.923 3.250 1.00 15.00 C ATOM 0 H MET A 179 1.130 4.605 3.752 1.00 15.00 H new ATOM 0 HA MET A 179 1.880 1.781 3.422 1.00 15.00 H new ATOM 0 HB2 MET A 179 2.476 3.527 5.816 1.00 15.00 H new ATOM 0 HB3 MET A 179 3.363 2.136 5.226 1.00 15.00 H new ATOM 0 HG2 MET A 179 3.256 4.887 3.943 1.00 15.00 H new ATOM 0 HG3 MET A 179 4.612 4.192 4.809 1.00 15.00 H new ATOM 0 HE1 MET A 179 5.773 1.313 2.419 1.00 15.00 H new ATOM 0 HE2 MET A 179 6.272 2.349 3.777 1.00 15.00 H new ATOM 0 HE3 MET A 179 4.842 1.302 3.935 1.00 15.00 H new ATOM 151 N ALA A 180 -0.112 0.972 4.715 1.00 15.00 N ATOM 152 CA ALA A 180 -1.107 0.410 5.613 1.00 15.00 C ATOM 153 C ALA A 180 -1.117 -1.105 5.532 1.00 15.00 C ATOM 154 O ALA A 180 -1.152 -1.691 4.451 1.00 15.00 O ATOM 155 CB ALA A 180 -2.483 0.982 5.323 1.00 15.00 C ATOM 0 H ALA A 180 0.057 0.435 3.865 1.00 15.00 H new ATOM 0 HA ALA A 180 -0.837 0.688 6.632 1.00 15.00 H new ATOM 0 HB1 ALA A 180 -3.210 0.546 6.008 1.00 15.00 H new ATOM 0 HB2 ALA A 180 -2.463 2.064 5.456 1.00 15.00 H new ATOM 0 HB3 ALA A 180 -2.766 0.748 4.297 1.00 15.00 H new ATOM 161 N LYS A 181 -1.071 -1.729 6.687 1.00 15.00 N ATOM 162 CA LYS A 181 -0.995 -3.169 6.781 1.00 15.00 C ATOM 163 C LYS A 181 -2.271 -3.724 7.400 1.00 15.00 C ATOM 164 O LYS A 181 -2.717 -3.263 8.453 1.00 15.00 O ATOM 165 CB LYS A 181 0.233 -3.551 7.608 1.00 15.00 C ATOM 166 CG LYS A 181 1.543 -3.128 6.957 1.00 15.00 C ATOM 167 CD LYS A 181 2.713 -3.177 7.928 1.00 15.00 C ATOM 168 CE LYS A 181 2.914 -1.847 8.652 1.00 15.00 C ATOM 169 NZ LYS A 181 1.795 -1.512 9.580 1.00 15.00 N1+ ATOM 0 H LYS A 181 -1.085 -1.252 7.588 1.00 15.00 H new ATOM 0 HA LYS A 181 -0.896 -3.601 5.785 1.00 15.00 H new ATOM 0 HB2 LYS A 181 0.158 -3.091 8.593 1.00 15.00 H new ATOM 0 HB3 LYS A 181 0.241 -4.630 7.760 1.00 15.00 H new ATOM 0 HG2 LYS A 181 1.751 -3.779 6.108 1.00 15.00 H new ATOM 0 HG3 LYS A 181 1.441 -2.116 6.565 1.00 15.00 H new ATOM 0 HD2 LYS A 181 2.543 -3.966 8.661 1.00 15.00 H new ATOM 0 HD3 LYS A 181 3.623 -3.436 7.386 1.00 15.00 H new ATOM 0 HE2 LYS A 181 3.847 -1.884 9.215 1.00 15.00 H new ATOM 0 HE3 LYS A 181 3.018 -1.051 7.915 1.00 15.00 H new ATOM 0 HZ1 LYS A 181 2.114 -0.797 10.265 1.00 15.00 H new ATOM 0 HZ2 LYS A 181 0.993 -1.136 9.035 1.00 15.00 H new ATOM 0 HZ3 LYS A 181 1.497 -2.369 10.088 1.00 15.00 H new ATOM 183 N THR A 182 -2.851 -4.709 6.739 1.00 15.00 N ATOM 184 CA THR A 182 -4.076 -5.331 7.206 1.00 15.00 C ATOM 185 C THR A 182 -3.726 -6.501 8.121 1.00 15.00 C ATOM 186 O THR A 182 -2.832 -7.286 7.799 1.00 15.00 O ATOM 187 CB THR A 182 -4.920 -5.846 6.017 1.00 15.00 C ATOM 188 OG1 THR A 182 -4.523 -5.183 4.811 1.00 15.00 O ATOM 189 CG2 THR A 182 -6.404 -5.597 6.233 1.00 15.00 C ATOM 0 H THR A 182 -2.489 -5.098 5.869 1.00 15.00 H new ATOM 0 HA THR A 182 -4.660 -4.588 7.749 1.00 15.00 H new ATOM 0 HB THR A 182 -4.749 -6.920 5.940 1.00 15.00 H new ATOM 0 HG1 THR A 182 -3.659 -5.536 4.513 1.00 15.00 H new ATOM 0 HG21 THR A 182 -6.964 -5.972 5.377 1.00 15.00 H new ATOM 0 HG22 THR A 182 -6.732 -6.113 7.136 1.00 15.00 H new ATOM 0 HG23 THR A 182 -6.581 -4.527 6.342 1.00 15.00 H new ATOM 197 N SER A 183 -4.427 -6.620 9.246 1.00 15.00 N ATOM 198 CA SER A 183 -4.138 -7.657 10.238 1.00 15.00 C ATOM 199 C SER A 183 -4.322 -9.063 9.661 1.00 15.00 C ATOM 200 O SER A 183 -3.881 -10.054 10.248 1.00 15.00 O ATOM 201 CB SER A 183 -5.029 -7.457 11.460 1.00 15.00 C ATOM 202 OG SER A 183 -6.368 -7.215 11.066 1.00 15.00 O ATOM 0 H SER A 183 -5.204 -6.008 9.496 1.00 15.00 H new ATOM 0 HA SER A 183 -3.092 -7.565 10.532 1.00 15.00 H new ATOM 0 HB2 SER A 183 -4.986 -8.340 12.097 1.00 15.00 H new ATOM 0 HB3 SER A 183 -4.661 -6.619 12.052 1.00 15.00 H new ATOM 0 HG SER A 183 -6.926 -7.091 11.862 1.00 15.00 H new ATOM 208 N SER A 184 -4.988 -9.133 8.516 1.00 15.00 N ATOM 209 CA SER A 184 -5.147 -10.368 7.760 1.00 15.00 C ATOM 210 C SER A 184 -3.793 -10.898 7.280 1.00 15.00 C ATOM 211 O SER A 184 -3.681 -12.041 6.839 1.00 15.00 O ATOM 212 CB SER A 184 -6.068 -10.120 6.568 1.00 15.00 C ATOM 213 OG SER A 184 -7.208 -9.372 6.961 1.00 15.00 O ATOM 0 H SER A 184 -5.437 -8.327 8.082 1.00 15.00 H new ATOM 0 HA SER A 184 -5.589 -11.121 8.412 1.00 15.00 H new ATOM 0 HB2 SER A 184 -5.526 -9.584 5.789 1.00 15.00 H new ATOM 0 HB3 SER A 184 -6.382 -11.072 6.140 1.00 15.00 H new ATOM 0 HG SER A 184 -7.785 -9.222 6.183 1.00 15.00 H new ATOM 219 N GLY A 185 -2.777 -10.048 7.350 1.00 15.00 N ATOM 220 CA GLY A 185 -1.495 -10.356 6.755 1.00 15.00 C ATOM 221 C GLY A 185 -1.432 -9.863 5.329 1.00 15.00 C ATOM 222 O GLY A 185 -0.667 -10.365 4.508 1.00 15.00 O ATOM 0 H GLY A 185 -2.822 -9.141 7.814 1.00 15.00 H new ATOM 0 HA2 GLY A 185 -0.698 -9.895 7.339 1.00 15.00 H new ATOM 0 HA3 GLY A 185 -1.327 -11.433 6.780 1.00 15.00 H new ATOM 226 N GLN A 186 -2.258 -8.866 5.042 1.00 15.00 N ATOM 227 CA GLN A 186 -2.260 -8.217 3.746 1.00 15.00 C ATOM 228 C GLN A 186 -1.493 -6.908 3.832 1.00 15.00 C ATOM 229 O GLN A 186 -1.989 -5.920 4.373 1.00 15.00 O ATOM 230 CB GLN A 186 -3.689 -7.949 3.265 1.00 15.00 C ATOM 231 CG GLN A 186 -4.499 -9.210 3.009 1.00 15.00 C ATOM 232 CD GLN A 186 -5.947 -8.926 2.650 1.00 15.00 C ATOM 233 OE1 GLN A 186 -6.589 -9.704 1.947 1.00 15.00 O ATOM 234 NE2 GLN A 186 -6.472 -7.804 3.119 1.00 15.00 N ATOM 0 H GLN A 186 -2.940 -8.489 5.700 1.00 15.00 H new ATOM 0 HA GLN A 186 -1.778 -8.881 3.028 1.00 15.00 H new ATOM 0 HB2 GLN A 186 -4.205 -7.342 4.009 1.00 15.00 H new ATOM 0 HB3 GLN A 186 -3.649 -7.362 2.347 1.00 15.00 H new ATOM 0 HG2 GLN A 186 -4.035 -9.775 2.201 1.00 15.00 H new ATOM 0 HG3 GLN A 186 -4.468 -9.841 3.897 1.00 15.00 H new ATOM 0 HE21 GLN A 186 -5.910 -7.182 3.700 1.00 15.00 H new ATOM 0 HE22 GLN A 186 -7.438 -7.562 2.900 1.00 15.00 H new ATOM 243 N ARG A 187 -0.272 -6.914 3.343 1.00 15.00 N ATOM 244 CA ARG A 187 0.552 -5.719 3.361 1.00 15.00 C ATOM 245 C ARG A 187 0.406 -4.975 2.037 1.00 15.00 C ATOM 246 O ARG A 187 0.934 -5.406 1.018 1.00 15.00 O ATOM 247 CB ARG A 187 2.020 -6.087 3.636 1.00 15.00 C ATOM 248 CG ARG A 187 2.599 -7.101 2.658 1.00 15.00 C ATOM 249 CD ARG A 187 3.886 -7.721 3.175 1.00 15.00 C ATOM 250 NE ARG A 187 4.935 -6.729 3.428 1.00 15.00 N ATOM 251 CZ ARG A 187 5.903 -6.897 4.327 1.00 15.00 C ATOM 252 NH1 ARG A 187 5.901 -7.971 5.110 1.00 15.00 N1+ ATOM 253 NH2 ARG A 187 6.857 -5.987 4.463 1.00 15.00 N ATOM 0 H ARG A 187 0.175 -7.732 2.928 1.00 15.00 H new ATOM 0 HA ARG A 187 0.219 -5.061 4.164 1.00 15.00 H new ATOM 0 HB2 ARG A 187 2.623 -5.180 3.602 1.00 15.00 H new ATOM 0 HB3 ARG A 187 2.100 -6.486 4.647 1.00 15.00 H new ATOM 0 HG2 ARG A 187 1.866 -7.887 2.475 1.00 15.00 H new ATOM 0 HG3 ARG A 187 2.790 -6.614 1.702 1.00 15.00 H new ATOM 0 HD2 ARG A 187 3.677 -8.265 4.096 1.00 15.00 H new ATOM 0 HD3 ARG A 187 4.249 -8.450 2.450 1.00 15.00 H new ATOM 0 HE ARG A 187 4.923 -5.864 2.887 1.00 15.00 H new ATOM 0 HH11 ARG A 187 5.159 -8.665 5.022 1.00 15.00 H new ATOM 0 HH12 ARG A 187 6.642 -8.101 5.799 1.00 15.00 H new ATOM 0 HH21 ARG A 187 6.853 -5.152 3.877 1.00 15.00 H new ATOM 0 HH22 ARG A 187 7.596 -6.122 5.153 1.00 15.00 H new ATOM 267 N TYR A 188 -0.349 -3.890 2.028 1.00 15.00 N ATOM 268 CA TYR A 188 -0.567 -3.169 0.793 1.00 15.00 C ATOM 269 C TYR A 188 0.050 -1.783 0.870 1.00 15.00 C ATOM 270 O TYR A 188 -0.050 -1.066 1.885 1.00 15.00 O ATOM 271 CB TYR A 188 -2.064 -3.112 0.439 1.00 15.00 C ATOM 272 CG TYR A 188 -2.920 -2.368 1.432 1.00 15.00 C ATOM 273 CD1 TYR A 188 -2.954 -0.981 1.454 1.00 15.00 C ATOM 274 CD2 TYR A 188 -3.689 -3.057 2.351 1.00 15.00 C ATOM 275 CE1 TYR A 188 -3.722 -0.304 2.374 1.00 15.00 C ATOM 276 CE2 TYR A 188 -4.467 -2.388 3.275 1.00 15.00 C ATOM 277 CZ TYR A 188 -4.476 -1.014 3.288 1.00 15.00 C ATOM 278 OH TYR A 188 -5.244 -0.354 4.219 1.00 15.00 O ATOM 0 H TYR A 188 -0.812 -3.497 2.847 1.00 15.00 H new ATOM 0 HA TYR A 188 -0.070 -3.708 -0.013 1.00 15.00 H new ATOM 0 HB2 TYR A 188 -2.174 -2.642 -0.538 1.00 15.00 H new ATOM 0 HB3 TYR A 188 -2.440 -4.131 0.347 1.00 15.00 H new ATOM 0 HD1 TYR A 188 -2.368 -0.424 0.738 1.00 15.00 H new ATOM 0 HD2 TYR A 188 -3.681 -4.137 2.346 1.00 15.00 H new ATOM 0 HE1 TYR A 188 -3.735 0.776 2.381 1.00 15.00 H new ATOM 0 HE2 TYR A 188 -5.065 -2.942 3.984 1.00 15.00 H new ATOM 0 HH TYR A 188 -5.710 -1.008 4.782 1.00 15.00 H new ATOM 288 N PHE A 189 0.711 -1.426 -0.205 1.00 15.00 N ATOM 289 CA PHE A 189 1.334 -0.137 -0.327 1.00 15.00 C ATOM 290 C PHE A 189 0.807 0.542 -1.579 1.00 15.00 C ATOM 291 O PHE A 189 0.880 -0.012 -2.676 1.00 15.00 O ATOM 292 CB PHE A 189 2.857 -0.301 -0.382 1.00 15.00 C ATOM 293 CG PHE A 189 3.410 -1.049 0.802 1.00 15.00 C ATOM 294 CD1 PHE A 189 3.550 -0.420 2.023 1.00 15.00 C ATOM 295 CD2 PHE A 189 3.774 -2.382 0.697 1.00 15.00 C ATOM 296 CE1 PHE A 189 4.045 -1.095 3.120 1.00 15.00 C ATOM 297 CE2 PHE A 189 4.270 -3.066 1.794 1.00 15.00 C ATOM 298 CZ PHE A 189 4.405 -2.419 3.007 1.00 15.00 C ATOM 0 H PHE A 189 0.830 -2.026 -1.021 1.00 15.00 H new ATOM 0 HA PHE A 189 1.097 0.484 0.537 1.00 15.00 H new ATOM 0 HB2 PHE A 189 3.128 -0.828 -1.297 1.00 15.00 H new ATOM 0 HB3 PHE A 189 3.322 0.684 -0.432 1.00 15.00 H new ATOM 0 HD1 PHE A 189 3.267 0.618 2.121 1.00 15.00 H new ATOM 0 HD2 PHE A 189 3.670 -2.892 -0.249 1.00 15.00 H new ATOM 0 HE1 PHE A 189 4.150 -0.585 4.066 1.00 15.00 H new ATOM 0 HE2 PHE A 189 4.551 -4.105 1.701 1.00 15.00 H new ATOM 0 HZ PHE A 189 4.792 -2.950 3.864 1.00 15.00 H new ATOM 308 N LEU A 190 0.253 1.726 -1.414 1.00 15.00 N ATOM 309 CA LEU A 190 -0.304 2.458 -2.538 1.00 15.00 C ATOM 310 C LEU A 190 0.755 3.338 -3.166 1.00 15.00 C ATOM 311 O LEU A 190 1.512 3.989 -2.456 1.00 15.00 O ATOM 312 CB LEU A 190 -1.419 3.400 -2.090 1.00 15.00 C ATOM 313 CG LEU A 190 -2.837 2.853 -2.007 1.00 15.00 C ATOM 314 CD1 LEU A 190 -3.800 3.947 -2.440 1.00 15.00 C ATOM 315 CD2 LEU A 190 -3.014 1.602 -2.850 1.00 15.00 C ATOM 0 H LEU A 190 0.176 2.203 -0.516 1.00 15.00 H new ATOM 0 HA LEU A 190 -0.683 1.713 -3.238 1.00 15.00 H new ATOM 0 HB2 LEU A 190 -1.153 3.785 -1.106 1.00 15.00 H new ATOM 0 HB3 LEU A 190 -1.430 4.250 -2.772 1.00 15.00 H new ATOM 0 HG LEU A 190 -3.046 2.559 -0.978 1.00 15.00 H new ATOM 0 HD11 LEU A 190 -4.823 3.573 -2.387 1.00 15.00 H new ATOM 0 HD12 LEU A 190 -3.694 4.808 -1.780 1.00 15.00 H new ATOM 0 HD13 LEU A 190 -3.575 4.245 -3.464 1.00 15.00 H new ATOM 0 HD21 LEU A 190 -4.040 1.246 -2.761 1.00 15.00 H new ATOM 0 HD22 LEU A 190 -2.799 1.833 -3.893 1.00 15.00 H new ATOM 0 HD23 LEU A 190 -2.330 0.828 -2.501 1.00 15.00 H new ATOM 327 N ASN A 191 0.785 3.411 -4.481 1.00 15.00 N ATOM 328 CA ASN A 191 1.531 4.467 -5.113 1.00 15.00 C ATOM 329 C ASN A 191 0.585 5.634 -5.284 1.00 15.00 C ATOM 330 O ASN A 191 -0.240 5.632 -6.205 1.00 15.00 O ATOM 331 CB ASN A 191 2.106 4.065 -6.479 1.00 15.00 C ATOM 332 CG ASN A 191 2.973 2.818 -6.446 1.00 15.00 C ATOM 333 OD1 ASN A 191 2.705 1.869 -5.710 1.00 15.00 O ATOM 334 ND2 ASN A 191 4.024 2.813 -7.251 1.00 15.00 N ATOM 0 H ASN A 191 0.313 2.767 -5.115 1.00 15.00 H new ATOM 0 HA ASN A 191 2.387 4.716 -4.486 1.00 15.00 H new ATOM 0 HB2 ASN A 191 1.282 3.903 -7.174 1.00 15.00 H new ATOM 0 HB3 ASN A 191 2.696 4.894 -6.871 1.00 15.00 H new ATOM 0 HD21 ASN A 191 4.644 2.003 -7.275 1.00 15.00 H new ATOM 0 HD22 ASN A 191 4.214 3.619 -7.847 1.00 15.00 H new ATOM 341 N HIS A 192 0.667 6.597 -4.357 1.00 15.00 N ATOM 342 CA HIS A 192 -0.212 7.773 -4.370 1.00 15.00 C ATOM 343 C HIS A 192 0.148 8.687 -5.535 1.00 15.00 C ATOM 344 O HIS A 192 -0.458 9.738 -5.729 1.00 15.00 O ATOM 345 CB HIS A 192 -0.107 8.567 -3.056 1.00 15.00 C ATOM 346 CG HIS A 192 -1.230 8.338 -2.073 1.00 15.00 C ATOM 347 ND1 HIS A 192 -2.439 9.010 -2.119 1.00 15.00 N ATOM 348 CD2 HIS A 192 -1.306 7.529 -0.993 1.00 15.00 C ATOM 349 CE1 HIS A 192 -3.198 8.619 -1.111 1.00 15.00 C ATOM 350 NE2 HIS A 192 -2.537 7.726 -0.409 1.00 15.00 N ATOM 0 H HIS A 192 1.335 6.584 -3.586 1.00 15.00 H new ATOM 0 HA HIS A 192 -1.236 7.416 -4.481 1.00 15.00 H new ATOM 0 HB2 HIS A 192 0.836 8.313 -2.571 1.00 15.00 H new ATOM 0 HB3 HIS A 192 -0.066 9.630 -3.295 1.00 15.00 H new ATOM 0 HD2 HIS A 192 -0.539 6.850 -0.650 1.00 15.00 H new ATOM 0 HE1 HIS A 192 -4.196 8.974 -0.899 1.00 15.00 H new ATOM 0 HE2 HIS A 192 -2.879 7.257 0.429 1.00 15.00 H new ATOM 359 N ILE A 193 1.167 8.293 -6.279 1.00 15.00 N ATOM 360 CA ILE A 193 1.583 9.022 -7.462 1.00 15.00 C ATOM 361 C ILE A 193 1.201 8.251 -8.727 1.00 15.00 C ATOM 362 O ILE A 193 0.721 8.831 -9.700 1.00 15.00 O ATOM 363 CB ILE A 193 3.107 9.269 -7.454 1.00 15.00 C ATOM 364 CG1 ILE A 193 3.534 9.908 -6.129 1.00 15.00 C ATOM 365 CG2 ILE A 193 3.502 10.159 -8.624 1.00 15.00 C ATOM 366 CD1 ILE A 193 5.033 10.060 -5.976 1.00 15.00 C ATOM 0 H ILE A 193 1.726 7.463 -6.081 1.00 15.00 H new ATOM 0 HA ILE A 193 1.071 9.984 -7.455 1.00 15.00 H new ATOM 0 HB ILE A 193 3.617 8.312 -7.558 1.00 15.00 H new ATOM 0 HG12 ILE A 193 3.069 10.890 -6.044 1.00 15.00 H new ATOM 0 HG13 ILE A 193 3.154 9.303 -5.306 1.00 15.00 H new ATOM 0 HG21 ILE A 193 4.579 10.326 -8.607 1.00 15.00 H new ATOM 0 HG22 ILE A 193 3.225 9.674 -9.560 1.00 15.00 H new ATOM 0 HG23 ILE A 193 2.986 11.116 -8.544 1.00 15.00 H new ATOM 0 HD11 ILE A 193 5.256 10.520 -5.013 1.00 15.00 H new ATOM 0 HD12 ILE A 193 5.505 9.079 -6.028 1.00 15.00 H new ATOM 0 HD13 ILE A 193 5.418 10.691 -6.777 1.00 15.00 H new ATOM 378 N ASP A 194 1.402 6.935 -8.694 1.00 15.00 N ATOM 379 CA ASP A 194 1.138 6.086 -9.855 1.00 15.00 C ATOM 380 C ASP A 194 -0.328 5.689 -9.946 1.00 15.00 C ATOM 381 O ASP A 194 -0.760 5.175 -10.976 1.00 15.00 O ATOM 382 CB ASP A 194 2.001 4.820 -9.825 1.00 15.00 C ATOM 383 CG ASP A 194 3.476 5.104 -10.009 1.00 15.00 C ATOM 384 OD1 ASP A 194 3.897 5.368 -11.158 1.00 15.00 O ATOM 385 OD2 ASP A 194 4.222 5.052 -9.009 1.00 15.00 O1- ATOM 0 H ASP A 194 1.747 6.433 -7.876 1.00 15.00 H new ATOM 0 HA ASP A 194 1.394 6.677 -10.734 1.00 15.00 H new ATOM 0 HB2 ASP A 194 1.851 4.308 -8.875 1.00 15.00 H new ATOM 0 HB3 ASP A 194 1.667 4.141 -10.609 1.00 15.00 H new ATOM 390 N GLN A 195 -1.075 5.883 -8.853 1.00 15.00 N ATOM 391 CA GLN A 195 -2.501 5.544 -8.816 1.00 15.00 C ATOM 392 C GLN A 195 -2.671 4.026 -8.845 1.00 15.00 C ATOM 393 O GLN A 195 -3.681 3.498 -9.307 1.00 15.00 O ATOM 394 CB GLN A 195 -3.224 6.222 -10.002 1.00 15.00 C ATOM 395 CG GLN A 195 -4.741 6.103 -9.987 1.00 15.00 C ATOM 396 CD GLN A 195 -5.390 6.796 -11.167 1.00 15.00 C ATOM 397 OE1 GLN A 195 -4.871 7.779 -11.692 1.00 15.00 O ATOM 398 NE2 GLN A 195 -6.534 6.288 -11.594 1.00 15.00 N ATOM 0 H GLN A 195 -0.715 6.273 -7.982 1.00 15.00 H new ATOM 0 HA GLN A 195 -2.949 5.912 -7.893 1.00 15.00 H new ATOM 0 HB2 GLN A 195 -2.958 7.279 -10.013 1.00 15.00 H new ATOM 0 HB3 GLN A 195 -2.850 5.790 -10.930 1.00 15.00 H new ATOM 0 HG2 GLN A 195 -5.019 5.049 -9.991 1.00 15.00 H new ATOM 0 HG3 GLN A 195 -5.126 6.531 -9.062 1.00 15.00 H new ATOM 0 HE21 GLN A 195 -6.933 5.471 -11.132 1.00 15.00 H new ATOM 0 HE22 GLN A 195 -7.017 6.713 -12.385 1.00 15.00 H new ATOM 407 N THR A 196 -1.706 3.322 -8.270 1.00 15.00 N ATOM 408 CA THR A 196 -1.721 1.870 -8.340 1.00 15.00 C ATOM 409 C THR A 196 -1.515 1.242 -6.962 1.00 15.00 C ATOM 410 O THR A 196 -0.883 1.831 -6.078 1.00 15.00 O ATOM 411 CB THR A 196 -0.679 1.322 -9.346 1.00 15.00 C ATOM 412 OG1 THR A 196 -1.075 0.016 -9.783 1.00 15.00 O ATOM 413 CG2 THR A 196 0.713 1.234 -8.735 1.00 15.00 C ATOM 0 H THR A 196 -0.919 3.723 -7.760 1.00 15.00 H new ATOM 0 HA THR A 196 -2.709 1.587 -8.703 1.00 15.00 H new ATOM 0 HB THR A 196 -0.639 2.015 -10.186 1.00 15.00 H new ATOM 0 HG1 THR A 196 -0.416 -0.329 -10.421 1.00 15.00 H new ATOM 0 HG21 THR A 196 1.412 0.845 -9.476 1.00 15.00 H new ATOM 0 HG22 THR A 196 1.035 2.226 -8.419 1.00 15.00 H new ATOM 0 HG23 THR A 196 0.690 0.568 -7.872 1.00 15.00 H new ATOM 421 N THR A 197 -2.088 0.065 -6.780 1.00 15.00 N ATOM 422 CA THR A 197 -2.031 -0.635 -5.512 1.00 15.00 C ATOM 423 C THR A 197 -1.022 -1.781 -5.571 1.00 15.00 C ATOM 424 O THR A 197 -1.101 -2.651 -6.442 1.00 15.00 O ATOM 425 CB THR A 197 -3.417 -1.178 -5.144 1.00 15.00 C ATOM 426 OG1 THR A 197 -4.386 -0.125 -5.237 1.00 15.00 O ATOM 427 CG2 THR A 197 -3.428 -1.756 -3.736 1.00 15.00 C ATOM 0 H THR A 197 -2.605 -0.430 -7.507 1.00 15.00 H new ATOM 0 HA THR A 197 -1.709 0.071 -4.746 1.00 15.00 H new ATOM 0 HB THR A 197 -3.666 -1.977 -5.843 1.00 15.00 H new ATOM 0 HG1 THR A 197 -5.272 -0.474 -5.003 1.00 15.00 H new ATOM 0 HG21 THR A 197 -4.424 -2.133 -3.505 1.00 15.00 H new ATOM 0 HG22 THR A 197 -2.708 -2.572 -3.672 1.00 15.00 H new ATOM 0 HG23 THR A 197 -3.160 -0.978 -3.021 1.00 15.00 H new ATOM 435 N THR A 198 -0.082 -1.769 -4.644 1.00 15.00 N ATOM 436 CA THR A 198 1.004 -2.731 -4.622 1.00 15.00 C ATOM 437 C THR A 198 0.857 -3.706 -3.437 1.00 15.00 C ATOM 438 O THR A 198 0.911 -3.287 -2.282 1.00 15.00 O ATOM 439 CB THR A 198 2.344 -1.964 -4.529 1.00 15.00 C ATOM 440 OG1 THR A 198 2.456 -1.061 -5.638 1.00 15.00 O ATOM 441 CG2 THR A 198 3.546 -2.891 -4.515 1.00 15.00 C ATOM 0 H THR A 198 -0.050 -1.090 -3.883 1.00 15.00 H new ATOM 0 HA THR A 198 0.979 -3.323 -5.537 1.00 15.00 H new ATOM 0 HB THR A 198 2.340 -1.418 -3.586 1.00 15.00 H new ATOM 0 HG1 THR A 198 2.521 -0.141 -5.306 1.00 15.00 H new ATOM 0 HG21 THR A 198 4.460 -2.301 -4.449 1.00 15.00 H new ATOM 0 HG22 THR A 198 3.481 -3.558 -3.655 1.00 15.00 H new ATOM 0 HG23 THR A 198 3.561 -3.481 -5.431 1.00 15.00 H new ATOM 449 N TRP A 199 0.644 -5.001 -3.725 1.00 15.00 N ATOM 450 CA TRP A 199 0.571 -6.028 -2.675 1.00 15.00 C ATOM 451 C TRP A 199 1.962 -6.343 -2.122 1.00 15.00 C ATOM 452 O TRP A 199 2.100 -6.939 -1.054 1.00 15.00 O ATOM 453 CB TRP A 199 0.004 -7.347 -3.213 1.00 15.00 C ATOM 454 CG TRP A 199 -1.490 -7.537 -3.178 1.00 15.00 C ATOM 455 CD1 TRP A 199 -2.258 -7.965 -4.218 1.00 15.00 C ATOM 456 CD2 TRP A 199 -2.400 -7.339 -2.079 1.00 15.00 C ATOM 457 NE1 TRP A 199 -3.555 -8.115 -3.833 1.00 15.00 N ATOM 458 CE2 TRP A 199 -3.672 -7.734 -2.537 1.00 15.00 C ATOM 459 CE3 TRP A 199 -2.284 -6.889 -0.757 1.00 15.00 C ATOM 460 CZ2 TRP A 199 -4.793 -7.707 -1.739 1.00 15.00 C ATOM 461 CZ3 TRP A 199 -3.436 -6.836 0.021 1.00 15.00 C ATOM 462 CH2 TRP A 199 -4.669 -7.263 -0.492 1.00 15.00 C ATOM 0 H TRP A 199 0.520 -5.359 -4.672 1.00 15.00 H new ATOM 0 HA TRP A 199 -0.079 -5.622 -1.899 1.00 15.00 H new ATOM 0 HB2 TRP A 199 0.331 -7.455 -4.247 1.00 15.00 H new ATOM 0 HB3 TRP A 199 0.458 -8.161 -2.649 1.00 15.00 H new ATOM 0 HD1 TRP A 199 -1.888 -8.159 -5.214 1.00 15.00 H new ATOM 0 HE1 TRP A 199 -4.314 -8.458 -4.422 1.00 15.00 H new ATOM 0 HE3 TRP A 199 -1.327 -6.592 -0.354 1.00 15.00 H new ATOM 0 HZ2 TRP A 199 -5.749 -8.038 -2.116 1.00 15.00 H new ATOM 0 HZ3 TRP A 199 -3.380 -6.461 1.032 1.00 15.00 H new ATOM 0 HH2 TRP A 199 -5.542 -7.230 0.143 1.00 15.00 H new ATOM 473 N GLN A 200 2.986 -6.001 -2.887 1.00 15.00 N ATOM 474 CA GLN A 200 4.354 -6.364 -2.544 1.00 15.00 C ATOM 475 C GLN A 200 5.060 -5.205 -1.855 1.00 15.00 C ATOM 476 O GLN A 200 4.761 -4.047 -2.120 1.00 15.00 O ATOM 477 CB GLN A 200 5.111 -6.775 -3.813 1.00 15.00 C ATOM 478 CG GLN A 200 6.531 -7.261 -3.563 1.00 15.00 C ATOM 479 CD GLN A 200 6.598 -8.416 -2.582 1.00 15.00 C ATOM 480 OE1 GLN A 200 5.665 -9.209 -2.466 1.00 15.00 O ATOM 481 NE2 GLN A 200 7.708 -8.516 -1.867 1.00 15.00 N ATOM 0 H GLN A 200 2.896 -5.470 -3.753 1.00 15.00 H new ATOM 0 HA GLN A 200 4.334 -7.206 -1.852 1.00 15.00 H new ATOM 0 HB2 GLN A 200 4.552 -7.564 -4.316 1.00 15.00 H new ATOM 0 HB3 GLN A 200 5.145 -5.924 -4.494 1.00 15.00 H new ATOM 0 HG2 GLN A 200 6.976 -7.569 -4.509 1.00 15.00 H new ATOM 0 HG3 GLN A 200 7.131 -6.434 -3.183 1.00 15.00 H new ATOM 0 HE21 GLN A 200 8.459 -7.837 -1.993 1.00 15.00 H new ATOM 0 HE22 GLN A 200 7.812 -9.272 -1.190 1.00 15.00 H new ATOM 490 N ASP A 201 6.000 -5.520 -0.979 1.00 15.00 N ATOM 491 CA ASP A 201 6.764 -4.491 -0.286 1.00 15.00 C ATOM 492 C ASP A 201 7.878 -3.958 -1.187 1.00 15.00 C ATOM 493 O ASP A 201 8.807 -4.692 -1.532 1.00 15.00 O ATOM 494 CB ASP A 201 7.361 -5.048 1.006 1.00 15.00 C ATOM 495 CG ASP A 201 7.876 -3.956 1.926 1.00 15.00 C ATOM 496 OD1 ASP A 201 8.836 -3.252 1.554 1.00 15.00 O ATOM 497 OD2 ASP A 201 7.325 -3.809 3.036 1.00 15.00 O1- ATOM 0 H ASP A 201 6.253 -6.476 -0.730 1.00 15.00 H new ATOM 0 HA ASP A 201 6.089 -3.672 -0.037 1.00 15.00 H new ATOM 0 HB2 ASP A 201 6.605 -5.633 1.529 1.00 15.00 H new ATOM 0 HB3 ASP A 201 8.177 -5.728 0.762 1.00 15.00 H new ATOM 502 N PRO A 202 7.778 -2.680 -1.600 1.00 15.00 N ATOM 503 CA PRO A 202 8.779 -2.007 -2.446 1.00 15.00 C ATOM 504 C PRO A 202 10.214 -2.065 -1.905 1.00 15.00 C ATOM 505 O PRO A 202 11.161 -1.761 -2.629 1.00 15.00 O ATOM 506 CB PRO A 202 8.303 -0.545 -2.495 1.00 15.00 C ATOM 507 CG PRO A 202 7.237 -0.429 -1.458 1.00 15.00 C ATOM 508 CD PRO A 202 6.639 -1.796 -1.325 1.00 15.00 C ATOM 0 HA PRO A 202 8.837 -2.501 -3.416 1.00 15.00 H new ATOM 0 HB2 PRO A 202 9.125 0.141 -2.289 1.00 15.00 H new ATOM 0 HB3 PRO A 202 7.917 -0.292 -3.483 1.00 15.00 H new ATOM 0 HG2 PRO A 202 7.652 -0.091 -0.508 1.00 15.00 H new ATOM 0 HG3 PRO A 202 6.482 0.300 -1.754 1.00 15.00 H new ATOM 0 HD2 PRO A 202 6.230 -1.963 -0.329 1.00 15.00 H new ATOM 0 HD3 PRO A 202 5.826 -1.952 -2.034 1.00 15.00 H new ATOM 516 N ARG A 203 10.378 -2.421 -0.636 1.00 15.00 N ATOM 517 CA ARG A 203 11.708 -2.493 -0.045 1.00 15.00 C ATOM 518 C ARG A 203 12.253 -3.911 -0.112 1.00 15.00 C ATOM 519 O ARG A 203 13.456 -4.137 0.030 1.00 15.00 O ATOM 520 CB ARG A 203 11.677 -2.026 1.407 1.00 15.00 C ATOM 521 CG ARG A 203 11.179 -0.604 1.584 1.00 15.00 C ATOM 522 CD ARG A 203 10.755 -0.358 3.022 1.00 15.00 C ATOM 523 NE ARG A 203 9.703 -1.293 3.431 1.00 15.00 N ATOM 524 CZ ARG A 203 9.350 -1.518 4.695 1.00 15.00 C ATOM 525 NH1 ARG A 203 9.988 -0.910 5.684 1.00 15.00 N1+ ATOM 526 NH2 ARG A 203 8.375 -2.374 4.965 1.00 15.00 N ATOM 0 H ARG A 203 9.615 -2.662 -0.003 1.00 15.00 H new ATOM 0 HA ARG A 203 12.363 -1.836 -0.617 1.00 15.00 H new ATOM 0 HB2 ARG A 203 11.039 -2.698 1.981 1.00 15.00 H new ATOM 0 HB3 ARG A 203 12.681 -2.104 1.825 1.00 15.00 H new ATOM 0 HG2 ARG A 203 11.964 0.099 1.306 1.00 15.00 H new ATOM 0 HG3 ARG A 203 10.337 -0.422 0.915 1.00 15.00 H new ATOM 0 HD2 ARG A 203 11.616 -0.464 3.681 1.00 15.00 H new ATOM 0 HD3 ARG A 203 10.397 0.666 3.128 1.00 15.00 H new ATOM 0 HE ARG A 203 9.209 -1.805 2.700 1.00 15.00 H new ATOM 0 HH11 ARG A 203 10.753 -0.267 5.479 1.00 15.00 H new ATOM 0 HH12 ARG A 203 9.715 -1.085 6.651 1.00 15.00 H new ATOM 0 HH21 ARG A 203 7.897 -2.859 4.205 1.00 15.00 H new ATOM 0 HH22 ARG A 203 8.103 -2.548 5.932 1.00 15.00 H new ATOM 540 N LYS A 204 11.358 -4.868 -0.309 1.00 15.00 N ATOM 541 CA LYS A 204 11.736 -6.273 -0.352 1.00 15.00 C ATOM 542 C LYS A 204 11.840 -6.750 -1.797 1.00 15.00 C ATOM 543 O LYS A 204 12.415 -7.801 -2.084 1.00 15.00 O ATOM 544 CB LYS A 204 10.717 -7.114 0.424 1.00 15.00 C ATOM 545 CG LYS A 204 11.137 -8.559 0.647 1.00 15.00 C ATOM 546 CD LYS A 204 12.455 -8.651 1.399 1.00 15.00 C ATOM 547 CE LYS A 204 12.804 -10.090 1.740 1.00 15.00 C ATOM 548 NZ LYS A 204 12.950 -10.935 0.525 1.00 15.00 N1+ ATOM 0 H LYS A 204 10.361 -4.696 -0.442 1.00 15.00 H new ATOM 0 HA LYS A 204 12.713 -6.391 0.117 1.00 15.00 H new ATOM 0 HB2 LYS A 204 10.540 -6.646 1.392 1.00 15.00 H new ATOM 0 HB3 LYS A 204 9.769 -7.102 -0.114 1.00 15.00 H new ATOM 0 HG2 LYS A 204 10.361 -9.081 1.207 1.00 15.00 H new ATOM 0 HG3 LYS A 204 11.231 -9.063 -0.315 1.00 15.00 H new ATOM 0 HD2 LYS A 204 13.251 -8.216 0.794 1.00 15.00 H new ATOM 0 HD3 LYS A 204 12.394 -8.064 2.315 1.00 15.00 H new ATOM 0 HE2 LYS A 204 13.733 -10.112 2.309 1.00 15.00 H new ATOM 0 HE3 LYS A 204 12.028 -10.508 2.381 1.00 15.00 H new ATOM 0 HZ1 LYS A 204 13.303 -11.875 0.796 1.00 15.00 H new ATOM 0 HZ2 LYS A 204 12.026 -11.033 0.058 1.00 15.00 H new ATOM 0 HZ3 LYS A 204 13.623 -10.488 -0.130 1.00 15.00 H new ATOM 562 N ALA A 205 11.273 -5.969 -2.703 1.00 15.00 N ATOM 563 CA ALA A 205 11.304 -6.291 -4.120 1.00 15.00 C ATOM 564 C ALA A 205 12.287 -5.387 -4.852 1.00 15.00 C ATOM 565 O ALA A 205 13.452 -5.795 -5.026 1.00 15.00 O ATOM 566 CB ALA A 205 9.912 -6.165 -4.721 1.00 15.00 C ATOM 567 OXT ALA A 205 11.894 -4.270 -5.244 1.00 15.00 O ATOM 0 H ALA A 205 10.783 -5.103 -2.480 1.00 15.00 H new ATOM 0 HA ALA A 205 11.638 -7.322 -4.234 1.00 15.00 H new ATOM 0 HB1 ALA A 205 9.951 -6.409 -5.783 1.00 15.00 H new ATOM 0 HB2 ALA A 205 9.234 -6.852 -4.215 1.00 15.00 H new ATOM 0 HB3 ALA A 205 9.553 -5.143 -4.596 1.00 15.00 H new TER 573 ALA A 205 ATOM 574 N GLY B 204 -2.832 -16.119 -3.437 1.00 15.00 N ATOM 575 CA GLY B 204 -4.112 -15.686 -4.043 1.00 15.00 C ATOM 576 C GLY B 204 -4.803 -14.660 -3.177 1.00 15.00 C ATOM 577 O GLY B 204 -5.518 -15.012 -2.241 1.00 15.00 O ATOM 0 HA2 GLY B 204 -3.926 -15.266 -5.032 1.00 15.00 H new ATOM 0 HA3 GLY B 204 -4.764 -16.549 -4.180 1.00 15.00 H new ATOM 583 N GLU B 205 -4.598 -13.393 -3.486 1.00 15.00 N ATOM 584 CA GLU B 205 -5.081 -12.321 -2.638 1.00 15.00 C ATOM 585 C GLU B 205 -6.486 -11.909 -3.047 1.00 15.00 C ATOM 586 O GLU B 205 -6.858 -11.993 -4.222 1.00 15.00 O ATOM 587 CB GLU B 205 -4.160 -11.095 -2.710 1.00 15.00 C ATOM 588 CG GLU B 205 -2.665 -11.403 -2.775 1.00 15.00 C ATOM 589 CD GLU B 205 -2.233 -12.558 -1.890 1.00 15.00 C ATOM 590 OE1 GLU B 205 -2.344 -12.447 -0.657 1.00 15.00 O1- ATOM 591 OE2 GLU B 205 -1.774 -13.588 -2.439 1.00 15.00 O ATOM 0 H GLU B 205 -4.099 -13.082 -4.320 1.00 15.00 H new ATOM 0 HA GLU B 205 -5.091 -12.696 -1.615 1.00 15.00 H new ATOM 0 HB2 GLU B 205 -4.432 -10.508 -3.588 1.00 15.00 H new ATOM 0 HB3 GLU B 205 -4.347 -10.469 -1.838 1.00 15.00 H new ATOM 0 HG2 GLU B 205 -2.396 -11.629 -3.807 1.00 15.00 H new ATOM 0 HG3 GLU B 205 -2.108 -10.511 -2.488 1.00 15.00 H new ATOM 598 N SER B 206 -7.248 -11.446 -2.077 1.00 15.00 N ATOM 599 CA SER B 206 -8.571 -10.912 -2.327 1.00 15.00 C ATOM 600 C SER B 206 -8.411 -9.420 -2.600 1.00 15.00 C ATOM 601 O SER B 206 -7.486 -8.813 -2.071 1.00 15.00 O ATOM 602 CB SER B 206 -9.463 -11.162 -1.102 1.00 15.00 C ATOM 603 OG SER B 206 -10.834 -10.960 -1.403 1.00 15.00 O ATOM 0 H SER B 206 -6.969 -11.429 -1.096 1.00 15.00 H new ATOM 0 HA SER B 206 -9.044 -11.395 -3.182 1.00 15.00 H new ATOM 0 HB2 SER B 206 -9.315 -12.181 -0.746 1.00 15.00 H new ATOM 0 HB3 SER B 206 -9.166 -10.495 -0.293 1.00 15.00 H new ATOM 0 HG SER B 206 -11.071 -11.468 -2.207 1.00 15.00 H new ATOM 609 N PRO B 207 -9.292 -8.808 -3.419 1.00 15.00 N ATOM 610 CA PRO B 207 -9.122 -7.413 -3.853 1.00 15.00 C ATOM 611 C PRO B 207 -8.822 -6.468 -2.689 1.00 15.00 C ATOM 612 O PRO B 207 -9.495 -6.496 -1.656 1.00 15.00 O ATOM 613 CB PRO B 207 -10.478 -7.081 -4.477 1.00 15.00 C ATOM 614 CG PRO B 207 -10.992 -8.386 -4.972 1.00 15.00 C ATOM 615 CD PRO B 207 -10.505 -9.422 -3.993 1.00 15.00 C ATOM 0 HA PRO B 207 -8.278 -7.294 -4.532 1.00 15.00 H new ATOM 0 HB2 PRO B 207 -11.154 -6.640 -3.745 1.00 15.00 H new ATOM 0 HB3 PRO B 207 -10.375 -6.361 -5.289 1.00 15.00 H new ATOM 0 HG2 PRO B 207 -12.081 -8.381 -5.026 1.00 15.00 H new ATOM 0 HG3 PRO B 207 -10.624 -8.595 -5.976 1.00 15.00 H new ATOM 0 HD2 PRO B 207 -11.251 -9.632 -3.226 1.00 15.00 H new ATOM 0 HD3 PRO B 207 -10.281 -10.368 -4.487 1.00 15.00 H new ATOM 623 N PRO B 208 -7.815 -5.599 -2.862 1.00 15.00 N ATOM 624 CA PRO B 208 -7.253 -4.754 -1.829 1.00 15.00 C ATOM 625 C PRO B 208 -7.967 -3.392 -1.832 1.00 15.00 C ATOM 626 O PRO B 208 -8.872 -3.170 -2.640 1.00 15.00 O ATOM 627 CB PRO B 208 -5.761 -4.644 -2.295 1.00 15.00 C ATOM 628 CG PRO B 208 -5.734 -5.304 -3.650 1.00 15.00 C ATOM 629 CD PRO B 208 -7.147 -5.252 -4.093 1.00 15.00 C ATOM 0 HA PRO B 208 -7.353 -5.129 -0.810 1.00 15.00 H new ATOM 0 HB2 PRO B 208 -5.440 -3.604 -2.355 1.00 15.00 H new ATOM 0 HB3 PRO B 208 -5.090 -5.145 -1.597 1.00 15.00 H new ATOM 0 HG2 PRO B 208 -5.078 -4.774 -4.341 1.00 15.00 H new ATOM 0 HG3 PRO B 208 -5.371 -6.330 -3.589 1.00 15.00 H new ATOM 0 HD2 PRO B 208 -7.432 -4.265 -4.457 1.00 15.00 H new ATOM 0 HD3 PRO B 208 -7.358 -5.960 -4.894 1.00 15.00 H new ATOM 637 N PRO B 209 -7.575 -2.473 -0.942 1.00 15.00 N ATOM 638 CA PRO B 209 -8.188 -1.139 -0.837 1.00 15.00 C ATOM 639 C PRO B 209 -8.337 -0.394 -2.161 1.00 15.00 C ATOM 640 O PRO B 209 -7.484 -0.495 -3.048 1.00 15.00 O ATOM 641 CB PRO B 209 -7.179 -0.364 -0.013 1.00 15.00 C ATOM 642 CG PRO B 209 -6.405 -1.362 0.763 1.00 15.00 C ATOM 643 CD PRO B 209 -6.551 -2.692 0.087 1.00 15.00 C ATOM 0 HA PRO B 209 -9.196 -1.234 -0.433 1.00 15.00 H new ATOM 0 HB2 PRO B 209 -6.521 0.220 -0.656 1.00 15.00 H new ATOM 0 HB3 PRO B 209 -7.681 0.339 0.652 1.00 15.00 H new ATOM 0 HG2 PRO B 209 -5.355 -1.074 0.813 1.00 15.00 H new ATOM 0 HG3 PRO B 209 -6.771 -1.414 1.788 1.00 15.00 H new ATOM 0 HD2 PRO B 209 -5.609 -3.018 -0.354 1.00 15.00 H new ATOM 0 HD3 PRO B 209 -6.857 -3.464 0.793 1.00 15.00 H new ATOM 651 N PRO B 210 -9.420 0.397 -2.280 1.00 15.00 N ATOM 652 CA PRO B 210 -9.602 1.333 -3.389 1.00 15.00 C ATOM 653 C PRO B 210 -8.575 2.460 -3.322 1.00 15.00 C ATOM 654 O PRO B 210 -8.169 2.879 -2.236 1.00 15.00 O ATOM 655 CB PRO B 210 -11.018 1.883 -3.172 1.00 15.00 C ATOM 656 CG PRO B 210 -11.292 1.681 -1.724 1.00 15.00 C ATOM 657 CD PRO B 210 -10.549 0.435 -1.332 1.00 15.00 C ATOM 0 HA PRO B 210 -9.472 0.861 -4.363 1.00 15.00 H new ATOM 0 HB2 PRO B 210 -11.077 2.937 -3.442 1.00 15.00 H new ATOM 0 HB3 PRO B 210 -11.745 1.355 -3.789 1.00 15.00 H new ATOM 0 HG2 PRO B 210 -10.954 2.537 -1.140 1.00 15.00 H new ATOM 0 HG3 PRO B 210 -12.361 1.572 -1.541 1.00 15.00 H new ATOM 0 HD2 PRO B 210 -10.205 0.481 -0.299 1.00 15.00 H new ATOM 0 HD3 PRO B 210 -11.177 -0.452 -1.420 1.00 15.00 H new ATOM 665 N TYR B 211 -8.185 2.969 -4.477 1.00 15.00 N ATOM 666 CA TYR B 211 -7.113 3.953 -4.561 1.00 15.00 C ATOM 667 C TYR B 211 -7.575 5.375 -4.218 1.00 15.00 C ATOM 668 O TYR B 211 -6.742 6.256 -4.015 1.00 15.00 O ATOM 669 CB TYR B 211 -6.452 3.940 -5.950 1.00 15.00 C ATOM 670 CG TYR B 211 -5.449 5.059 -6.126 1.00 15.00 C ATOM 671 CD1 TYR B 211 -4.183 4.972 -5.570 1.00 15.00 C ATOM 672 CD2 TYR B 211 -5.792 6.226 -6.799 1.00 15.00 C ATOM 673 CE1 TYR B 211 -3.285 6.011 -5.677 1.00 15.00 C ATOM 674 CE2 TYR B 211 -4.896 7.270 -6.916 1.00 15.00 C ATOM 675 CZ TYR B 211 -3.645 7.159 -6.353 1.00 15.00 C ATOM 676 OH TYR B 211 -2.748 8.192 -6.469 1.00 15.00 O ATOM 0 H TYR B 211 -8.595 2.717 -5.376 1.00 15.00 H new ATOM 0 HA TYR B 211 -6.380 3.659 -3.810 1.00 15.00 H new ATOM 0 HB2 TYR B 211 -5.954 2.983 -6.102 1.00 15.00 H new ATOM 0 HB3 TYR B 211 -7.223 4.024 -6.716 1.00 15.00 H new ATOM 0 HD1 TYR B 211 -3.895 4.074 -5.044 1.00 15.00 H new ATOM 0 HD2 TYR B 211 -6.775 6.317 -7.237 1.00 15.00 H new ATOM 0 HE1 TYR B 211 -2.304 5.928 -5.234 1.00 15.00 H new ATOM 0 HE2 TYR B 211 -5.175 8.169 -7.446 1.00 15.00 H new ATOM 0 HH TYR B 211 -3.157 8.925 -6.974 1.00 15.00 H new ATOM 686 N SER B 212 -8.877 5.599 -4.081 1.00 15.00 N ATOM 687 CA SER B 212 -9.421 6.948 -4.223 1.00 15.00 C ATOM 688 C SER B 212 -8.804 7.922 -3.215 1.00 15.00 C ATOM 689 O SER B 212 -8.094 8.843 -3.629 1.00 15.00 O ATOM 690 CB SER B 212 -10.939 6.911 -4.071 1.00 15.00 C ATOM 691 OG SER B 212 -11.516 6.012 -5.007 1.00 15.00 O ATOM 0 H SER B 212 -9.568 4.877 -3.875 1.00 15.00 H new ATOM 0 HA SER B 212 -9.165 7.311 -5.219 1.00 15.00 H new ATOM 0 HB2 SER B 212 -11.201 6.606 -3.058 1.00 15.00 H new ATOM 0 HB3 SER B 212 -11.349 7.910 -4.219 1.00 15.00 H new ATOM 0 HG SER B 212 -12.489 6.001 -4.893 1.00 15.00 H new ATOM 697 N ARG B 213 -9.058 7.782 -1.923 1.00 15.00 N ATOM 698 CA ARG B 213 -8.245 8.527 -0.971 1.00 15.00 C ATOM 699 C ARG B 213 -7.528 7.591 -0.017 1.00 15.00 C ATOM 700 O ARG B 213 -6.310 7.416 -0.085 1.00 15.00 O ATOM 701 CB ARG B 213 -9.099 9.501 -0.156 1.00 15.00 C ATOM 702 CG ARG B 213 -8.355 10.751 0.284 1.00 15.00 C ATOM 703 CD ARG B 213 -7.793 11.514 -0.907 1.00 15.00 C ATOM 704 NE ARG B 213 -8.827 11.853 -1.883 1.00 15.00 N ATOM 705 CZ ARG B 213 -8.755 12.891 -2.717 1.00 15.00 C ATOM 706 NH1 ARG B 213 -7.718 13.718 -2.671 1.00 15.00 N1+ ATOM 707 NH2 ARG B 213 -9.725 13.104 -3.594 1.00 15.00 N ATOM 0 H ARG B 213 -9.785 7.189 -1.521 1.00 15.00 H new ATOM 0 HA ARG B 213 -7.512 9.088 -1.550 1.00 15.00 H new ATOM 0 HB2 ARG B 213 -9.964 9.795 -0.750 1.00 15.00 H new ATOM 0 HB3 ARG B 213 -9.478 8.986 0.727 1.00 15.00 H new ATOM 0 HG2 ARG B 213 -9.029 11.397 0.847 1.00 15.00 H new ATOM 0 HG3 ARG B 213 -7.543 10.475 0.956 1.00 15.00 H new ATOM 0 HD2 ARG B 213 -7.312 12.428 -0.557 1.00 15.00 H new ATOM 0 HD3 ARG B 213 -7.022 10.913 -1.390 1.00 15.00 H new ATOM 0 HE ARG B 213 -9.655 11.259 -1.929 1.00 15.00 H new ATOM 0 HH11 ARG B 213 -6.970 13.561 -1.995 1.00 15.00 H new ATOM 0 HH12 ARG B 213 -7.669 14.510 -3.312 1.00 15.00 H new ATOM 0 HH21 ARG B 213 -10.526 12.474 -3.631 1.00 15.00 H new ATOM 0 HH22 ARG B 213 -9.670 13.898 -4.232 1.00 15.00 H new ATOM 721 N TYR B 214 -8.308 6.990 0.866 1.00 15.00 N ATOM 722 CA TYR B 214 -7.772 6.158 1.925 1.00 15.00 C ATOM 723 C TYR B 214 -8.306 4.735 1.858 1.00 15.00 C ATOM 724 O TYR B 214 -9.484 4.519 1.573 1.00 15.00 O ATOM 725 CB TYR B 214 -8.027 6.828 3.275 1.00 15.00 C ATOM 726 CG TYR B 214 -7.018 7.926 3.530 1.00 15.00 C ATOM 727 CD1 TYR B 214 -6.923 9.027 2.679 1.00 15.00 C ATOM 728 CD2 TYR B 214 -6.122 7.835 4.586 1.00 15.00 C ATOM 729 CE1 TYR B 214 -5.959 9.998 2.874 1.00 15.00 C ATOM 730 CE2 TYR B 214 -5.167 8.810 4.796 1.00 15.00 C ATOM 731 CZ TYR B 214 -5.086 9.888 3.938 1.00 15.00 C ATOM 732 OH TYR B 214 -4.115 10.843 4.132 1.00 15.00 O ATOM 0 H TYR B 214 -9.325 7.066 0.868 1.00 15.00 H new ATOM 0 HA TYR B 214 -6.694 6.065 1.793 1.00 15.00 H new ATOM 0 HB2 TYR B 214 -9.035 7.242 3.296 1.00 15.00 H new ATOM 0 HB3 TYR B 214 -7.972 6.085 4.071 1.00 15.00 H new ATOM 0 HD1 TYR B 214 -7.614 9.122 1.854 1.00 15.00 H new ATOM 0 HD2 TYR B 214 -6.173 6.988 5.254 1.00 15.00 H new ATOM 0 HE1 TYR B 214 -5.889 10.838 2.198 1.00 15.00 H new ATOM 0 HE2 TYR B 214 -4.485 8.729 5.630 1.00 15.00 H new ATOM 0 HH TYR B 214 -3.587 10.616 4.925 1.00 15.00 H new ATOM 742 N PRO B 215 -7.440 3.751 2.134 1.00 15.00 N ATOM 743 CA PRO B 215 -7.790 2.328 2.061 1.00 15.00 C ATOM 744 C PRO B 215 -8.749 1.863 3.152 1.00 15.00 C ATOM 745 O PRO B 215 -9.914 1.561 2.885 1.00 15.00 O ATOM 746 CB PRO B 215 -6.441 1.622 2.242 1.00 15.00 C ATOM 747 CG PRO B 215 -5.412 2.666 2.024 1.00 15.00 C ATOM 748 CD PRO B 215 -6.032 3.940 2.504 1.00 15.00 C ATOM 0 HA PRO B 215 -8.308 2.112 1.127 1.00 15.00 H new ATOM 0 HB2 PRO B 215 -6.356 1.190 3.239 1.00 15.00 H new ATOM 0 HB3 PRO B 215 -6.328 0.805 1.529 1.00 15.00 H new ATOM 0 HG2 PRO B 215 -4.500 2.440 2.576 1.00 15.00 H new ATOM 0 HG3 PRO B 215 -5.138 2.734 0.971 1.00 15.00 H new ATOM 0 HD2 PRO B 215 -5.907 4.075 3.578 1.00 15.00 H new ATOM 0 HD3 PRO B 215 -5.596 4.814 2.020 1.00 15.00 H new ATOM 756 N MET B 216 -8.254 1.813 4.379 1.00 15.00 N ATOM 757 CA MET B 216 -9.012 1.245 5.482 1.00 15.00 C ATOM 758 C MET B 216 -9.374 2.312 6.502 1.00 15.00 C ATOM 759 O MET B 216 -8.537 3.134 6.882 1.00 15.00 O ATOM 760 CB MET B 216 -8.206 0.141 6.167 1.00 15.00 C ATOM 761 CG MET B 216 -8.976 -0.574 7.268 1.00 15.00 C ATOM 762 SD MET B 216 -10.335 -1.572 6.633 1.00 15.00 S ATOM 763 CE MET B 216 -9.450 -2.724 5.583 1.00 15.00 C ATOM 0 H MET B 216 -7.330 2.159 4.636 1.00 15.00 H new ATOM 0 HA MET B 216 -9.931 0.825 5.073 1.00 15.00 H new ATOM 0 HB2 MET B 216 -7.894 -0.588 5.419 1.00 15.00 H new ATOM 0 HB3 MET B 216 -7.299 0.572 6.590 1.00 15.00 H new ATOM 0 HG2 MET B 216 -8.292 -1.213 7.827 1.00 15.00 H new ATOM 0 HG3 MET B 216 -9.369 0.163 7.968 1.00 15.00 H new ATOM 0 HE1 MET B 216 -10.062 -3.611 5.419 1.00 15.00 H new ATOM 0 HE2 MET B 216 -9.233 -2.251 4.626 1.00 15.00 H new ATOM 0 HE3 MET B 216 -8.516 -3.012 6.065 1.00 15.00 H new ATOM 773 N ASP B 217 -10.611 2.265 6.958 1.00 15.00 N ATOM 774 CA ASP B 217 -11.111 3.202 7.947 1.00 15.00 C ATOM 775 C ASP B 217 -11.820 2.451 9.067 1.00 15.00 C ATOM 776 O ASP B 217 -13.014 2.118 8.904 1.00 15.00 O ATOM 777 CB ASP B 217 -12.060 4.191 7.276 1.00 15.00 C ATOM 778 CG ASP B 217 -12.730 5.139 8.253 1.00 15.00 C ATOM 779 OD1 ASP B 217 -12.018 5.857 8.980 1.00 15.00 O1- ATOM 780 OD2 ASP B 217 -13.980 5.182 8.285 1.00 15.00 O ATOM 781 OXT ASP B 217 -11.172 2.162 10.097 1.00 15.00 O ATOM 0 H ASP B 217 -11.298 1.576 6.653 1.00 15.00 H new ATOM 0 HA ASP B 217 -10.277 3.753 8.381 1.00 15.00 H new ATOM 0 HB2 ASP B 217 -11.506 4.772 6.539 1.00 15.00 H new ATOM 0 HB3 ASP B 217 -12.827 3.637 6.734 1.00 15.00 H new TER 786 ASP B 217