USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 955 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 39 CYS SG : rot -178:sc= -6.65! USER MOD Set 1.2: A 63 ASN : amide:sc= -9.05! C(o=-16!,f=-19!) USER MOD Set 2.1: A 20 TYR OH : rot -151:sc= -0.977! USER MOD Set 2.2: A 43 HIS : no HD1:sc= -0.406 K(o=-1.4,f=-15!) USER MOD Set 3.1: A 29 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 94 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 22 HIS : no HE2:sc= -1.36! C(o=-3.1!,f=-13!) USER MOD Set 4.2: A 36 MET CE :methyl 146:sc=-0.000201 (180deg=0) USER MOD Set 4.3: A 52 TYR OH : rot 15:sc= -1.76 USER MOD Set 5.1: A 13 CYS SG : rot -49:sc= -2.07! USER MOD Set 5.2: A 17 THR OG1 : rot 69:sc= 2.11 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.117 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.608 K(o=-0.61,f=-2.2!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -138:sc= -0.613 (180deg=-2.98) USER MOD Single : A 19 ASN : amide:sc= -0.087 X(o=-0.087,f=-0.12) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 27 ASN : amide:sc= -2.25! C(o=-2.3!,f=-3.7!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -89:sc= 0.723 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00867 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 65 THR OG1 : rot 84:sc= -1.4! USER MOD Single : A 69 SER OG : rot -68:sc= -0.511! USER MOD Single : A 70 THR OG1 : rot 91:sc= 1.17 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot 55:sc= -4.25! USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 86 MET CE :methyl -156:sc= 0 (180deg=-0.696) USER MOD Single : A 95 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0468) USER MOD Single : A 96 CYS SG : rot 180:sc= -0.902 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 165:sc= -0.033 USER MOD Single : A 102 GLN : amide:sc= -0.0137 K(o=-0.014,f=-2.3!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.574 X(o=-0.57,f=-0.55) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ -113:sc= -1.68! (180deg=-2.71!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.225) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.336 20.361 4.484 1.00 0.00 N ATOM 2 CA GLY A 1 6.093 21.230 5.431 1.00 0.00 C ATOM 3 C GLY A 1 6.976 20.360 6.319 1.00 0.00 C ATOM 4 O GLY A 1 7.186 19.180 6.034 1.00 0.00 O ATOM 0 H1 GLY A 1 5.539 20.654 3.507 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.624 19.370 4.616 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.317 20.452 4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.704 21.943 4.878 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.401 21.809 6.043 1.00 0.00 H new ATOM 10 N PRO A 2 7.489 20.915 7.385 1.00 0.00 N ATOM 11 CA PRO A 2 8.359 20.166 8.330 1.00 0.00 C ATOM 12 C PRO A 2 7.543 19.132 9.103 1.00 0.00 C ATOM 13 O PRO A 2 8.065 18.109 9.552 1.00 0.00 O ATOM 14 CB PRO A 2 8.954 21.248 9.267 1.00 0.00 C ATOM 15 CG PRO A 2 8.394 22.578 8.820 1.00 0.00 C ATOM 16 CD PRO A 2 7.273 22.302 7.807 1.00 0.00 C ATOM 0 HA PRO A 2 9.144 19.606 7.823 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.688 21.047 10.305 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.043 21.250 9.211 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.008 23.136 9.673 1.00 0.00 H new ATOM 0 HG3 PRO A 2 9.176 23.188 8.367 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.290 22.430 8.259 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.326 22.987 6.961 1.00 0.00 H new ATOM 24 N LEU A 3 6.256 19.429 9.255 1.00 0.00 N ATOM 25 CA LEU A 3 5.342 18.555 9.979 1.00 0.00 C ATOM 26 C LEU A 3 4.819 17.460 9.055 1.00 0.00 C ATOM 27 O LEU A 3 4.130 16.539 9.491 1.00 0.00 O ATOM 28 CB LEU A 3 4.179 19.388 10.527 1.00 0.00 C ATOM 29 CG LEU A 3 4.724 20.479 11.462 1.00 0.00 C ATOM 30 CD1 LEU A 3 3.572 21.375 11.921 1.00 0.00 C ATOM 31 CD2 LEU A 3 5.405 19.845 12.691 1.00 0.00 C ATOM 0 H LEU A 3 5.822 20.274 8.884 1.00 0.00 H new ATOM 0 HA LEU A 3 5.870 18.082 10.807 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.625 19.842 9.706 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.482 18.747 11.067 1.00 0.00 H new ATOM 0 HG LEU A 3 5.461 21.072 10.921 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.956 22.150 12.585 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.104 21.840 11.053 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.834 20.775 12.453 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.785 20.632 13.343 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.681 19.240 13.237 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.231 19.214 12.364 1.00 0.00 H new ATOM 43 N GLY A 4 5.165 17.563 7.776 1.00 0.00 N ATOM 44 CA GLY A 4 4.737 16.572 6.801 1.00 0.00 C ATOM 45 C GLY A 4 5.436 15.237 7.045 1.00 0.00 C ATOM 46 O GLY A 4 6.200 14.762 6.203 1.00 0.00 O ATOM 0 H GLY A 4 5.736 18.317 7.395 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.657 16.439 6.861 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.959 16.926 5.794 1.00 0.00 H new ATOM 50 N SER A 5 5.165 14.633 8.199 1.00 0.00 N ATOM 51 CA SER A 5 5.770 13.349 8.544 1.00 0.00 C ATOM 52 C SER A 5 5.231 12.229 7.657 1.00 0.00 C ATOM 53 O SER A 5 5.988 11.397 7.159 1.00 0.00 O ATOM 54 CB SER A 5 5.478 13.022 10.006 1.00 0.00 C ATOM 55 OG SER A 5 6.038 14.033 10.834 1.00 0.00 O ATOM 0 H SER A 5 4.535 15.009 8.907 1.00 0.00 H new ATOM 0 HA SER A 5 6.846 13.426 8.386 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.402 12.957 10.168 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.898 12.050 10.264 1.00 0.00 H new ATOM 0 HG SER A 5 5.851 13.827 11.774 1.00 0.00 H new ATOM 61 N LYS A 6 3.910 12.210 7.476 1.00 0.00 N ATOM 62 CA LYS A 6 3.256 11.185 6.658 1.00 0.00 C ATOM 63 C LYS A 6 2.924 11.733 5.273 1.00 0.00 C ATOM 64 O LYS A 6 2.380 11.027 4.426 1.00 0.00 O ATOM 65 CB LYS A 6 1.974 10.718 7.349 1.00 0.00 C ATOM 66 CG LYS A 6 2.325 10.166 8.735 1.00 0.00 C ATOM 67 CD LYS A 6 1.083 9.549 9.389 1.00 0.00 C ATOM 68 CE LYS A 6 0.092 10.646 9.788 1.00 0.00 C ATOM 69 NZ LYS A 6 -0.913 10.078 10.732 1.00 0.00 N ATOM 0 H LYS A 6 3.271 12.892 7.884 1.00 0.00 H new ATOM 0 HA LYS A 6 3.938 10.342 6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.273 11.547 7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.483 9.950 6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.110 9.415 8.647 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.717 10.965 9.364 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.607 8.854 8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.374 8.975 10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.620 11.477 10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.406 11.043 8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.589 10.819 11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.423 9.299 10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.429 9.720 11.580 1.00 0.00 H new ATOM 83 N ASN A 7 3.272 12.995 5.049 1.00 0.00 N ATOM 84 CA ASN A 7 3.024 13.627 3.758 1.00 0.00 C ATOM 85 C ASN A 7 3.878 12.972 2.677 1.00 0.00 C ATOM 86 O ASN A 7 3.422 12.757 1.553 1.00 0.00 O ATOM 87 CB ASN A 7 3.345 15.122 3.829 1.00 0.00 C ATOM 88 CG ASN A 7 2.229 15.860 4.562 1.00 0.00 C ATOM 89 OD1 ASN A 7 1.209 15.260 4.905 1.00 0.00 O ATOM 90 ND2 ASN A 7 2.355 17.133 4.809 1.00 0.00 N ATOM 0 H ASN A 7 3.723 13.597 5.738 1.00 0.00 H new ATOM 0 HA ASN A 7 1.971 13.499 3.508 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.293 15.275 4.344 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.460 15.526 2.823 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.608 17.636 5.288 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.201 17.627 4.524 1.00 0.00 H new ATOM 97 N MET A 8 5.124 12.668 3.025 1.00 0.00 N ATOM 98 CA MET A 8 6.048 12.051 2.082 1.00 0.00 C ATOM 99 C MET A 8 5.467 10.745 1.550 1.00 0.00 C ATOM 100 O MET A 8 5.434 10.516 0.341 1.00 0.00 O ATOM 101 CB MET A 8 7.378 11.769 2.795 1.00 0.00 C ATOM 102 CG MET A 8 8.385 11.137 1.828 1.00 0.00 C ATOM 103 SD MET A 8 8.760 12.296 0.491 1.00 0.00 S ATOM 104 CE MET A 8 9.469 11.086 -0.652 1.00 0.00 C ATOM 0 H MET A 8 5.516 12.839 3.951 1.00 0.00 H new ATOM 0 HA MET A 8 6.211 12.729 1.244 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.785 12.697 3.197 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.209 11.102 3.640 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.299 10.874 2.361 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.978 10.213 1.417 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.778 11.589 -1.569 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.334 10.612 -0.189 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.723 10.327 -0.888 1.00 0.00 H new ATOM 114 N LEU A 9 5.003 9.898 2.459 1.00 0.00 N ATOM 115 CA LEU A 9 4.422 8.629 2.078 1.00 0.00 C ATOM 116 C LEU A 9 3.144 8.842 1.281 1.00 0.00 C ATOM 117 O LEU A 9 2.908 8.185 0.269 1.00 0.00 O ATOM 118 CB LEU A 9 4.093 7.841 3.335 1.00 0.00 C ATOM 119 CG LEU A 9 5.377 7.394 4.026 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.033 6.818 5.402 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.115 6.332 3.181 1.00 0.00 C ATOM 0 H LEU A 9 5.020 10.072 3.464 1.00 0.00 H new ATOM 0 HA LEU A 9 5.136 8.085 1.460 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.501 8.455 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.487 6.972 3.080 1.00 0.00 H new ATOM 0 HG LEU A 9 6.035 8.255 4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.947 6.497 5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.541 7.582 6.004 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.366 5.964 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.028 6.029 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.470 5.464 3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.369 6.753 2.208 1.00 0.00 H new ATOM 133 N LEU A 10 2.319 9.764 1.761 1.00 0.00 N ATOM 134 CA LEU A 10 1.061 10.052 1.095 1.00 0.00 C ATOM 135 C LEU A 10 1.335 10.549 -0.320 1.00 0.00 C ATOM 136 O LEU A 10 0.721 10.091 -1.280 1.00 0.00 O ATOM 137 CB LEU A 10 0.289 11.119 1.888 1.00 0.00 C ATOM 138 CG LEU A 10 -1.215 11.058 1.549 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.909 9.985 2.401 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.866 12.419 1.839 1.00 0.00 C ATOM 0 H LEU A 10 2.497 10.318 2.599 1.00 0.00 H new ATOM 0 HA LEU A 10 0.460 9.144 1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.434 10.962 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.681 12.109 1.655 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.324 10.809 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.970 9.952 2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.459 9.013 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.792 10.227 3.457 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.928 12.373 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.743 12.664 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.389 13.187 1.230 1.00 0.00 H new ATOM 152 N GLU A 11 2.274 11.481 -0.432 1.00 0.00 N ATOM 153 CA GLU A 11 2.652 12.036 -1.730 1.00 0.00 C ATOM 154 C GLU A 11 3.159 10.927 -2.635 1.00 0.00 C ATOM 155 O GLU A 11 2.701 10.730 -3.763 1.00 0.00 O ATOM 156 CB GLU A 11 3.784 13.036 -1.511 1.00 0.00 C ATOM 157 CG GLU A 11 3.954 13.926 -2.740 1.00 0.00 C ATOM 158 CD GLU A 11 4.569 13.123 -3.883 1.00 0.00 C ATOM 159 OE1 GLU A 11 5.351 12.230 -3.597 1.00 0.00 O ATOM 160 OE2 GLU A 11 4.247 13.409 -5.024 1.00 0.00 O ATOM 0 H GLU A 11 2.788 11.869 0.359 1.00 0.00 H new ATOM 0 HA GLU A 11 1.789 12.517 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.571 13.650 -0.636 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.713 12.504 -1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.988 14.328 -3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.591 14.777 -2.498 1.00 0.00 H new ATOM 167 N TRP A 12 4.126 10.224 -2.089 1.00 0.00 N ATOM 168 CA TRP A 12 4.794 9.112 -2.738 1.00 0.00 C ATOM 169 C TRP A 12 3.789 8.059 -3.217 1.00 0.00 C ATOM 170 O TRP A 12 3.697 7.779 -4.413 1.00 0.00 O ATOM 171 CB TRP A 12 5.726 8.571 -1.662 1.00 0.00 C ATOM 172 CG TRP A 12 6.444 7.337 -2.055 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.585 7.288 -2.770 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.126 5.975 -1.685 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.985 5.969 -2.875 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.112 5.119 -2.220 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.076 5.410 -0.946 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.062 3.740 -2.022 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.020 4.022 -0.744 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.011 3.188 -1.280 1.00 0.00 C ATOM 0 H TRP A 12 4.482 10.414 -1.152 1.00 0.00 H new ATOM 0 HA TRP A 12 5.333 9.407 -3.638 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.456 9.339 -1.408 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.147 8.371 -0.760 1.00 0.00 H new ATOM 0 HD1 TRP A 12 8.101 8.138 -3.191 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.820 5.661 -3.373 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.308 6.045 -0.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.828 3.102 -2.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.209 3.595 -0.173 1.00 0.00 H new ATOM 0 HH2 TRP A 12 5.964 2.121 -1.121 1.00 0.00 H new ATOM 191 N CYS A 13 3.029 7.488 -2.286 1.00 0.00 N ATOM 192 CA CYS A 13 2.031 6.482 -2.635 1.00 0.00 C ATOM 193 C CYS A 13 1.076 7.013 -3.710 1.00 0.00 C ATOM 194 O CYS A 13 0.794 6.336 -4.694 1.00 0.00 O ATOM 195 CB CYS A 13 1.237 6.121 -1.374 1.00 0.00 C ATOM 196 SG CYS A 13 0.428 4.518 -1.590 1.00 0.00 S ATOM 0 H CYS A 13 3.085 7.703 -1.291 1.00 0.00 H new ATOM 0 HA CYS A 13 2.534 5.600 -3.032 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.903 6.088 -0.512 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.491 6.890 -1.171 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.194 4.496 -2.731 1.00 0.00 H new ATOM 202 N ARG A 14 0.588 8.232 -3.499 1.00 0.00 N ATOM 203 CA ARG A 14 -0.343 8.866 -4.440 1.00 0.00 C ATOM 204 C ARG A 14 0.288 8.989 -5.818 1.00 0.00 C ATOM 205 O ARG A 14 -0.328 8.676 -6.838 1.00 0.00 O ATOM 206 CB ARG A 14 -0.701 10.263 -3.950 1.00 0.00 C ATOM 207 CG ARG A 14 -1.898 10.791 -4.745 1.00 0.00 C ATOM 208 CD ARG A 14 -2.242 12.200 -4.264 1.00 0.00 C ATOM 209 NE ARG A 14 -2.759 12.158 -2.902 1.00 0.00 N ATOM 210 CZ ARG A 14 -3.065 13.275 -2.250 1.00 0.00 C ATOM 211 NH1 ARG A 14 -2.117 14.000 -1.723 1.00 0.00 N ATOM 212 NH2 ARG A 14 -4.310 13.647 -2.136 1.00 0.00 N ATOM 0 H ARG A 14 0.819 8.804 -2.687 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.236 8.245 -4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.940 10.237 -2.887 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.152 10.931 -4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.665 10.805 -5.810 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.755 10.131 -4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.355 12.832 -4.304 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.982 12.647 -4.927 1.00 0.00 H new ATOM 0 HE ARG A 14 -2.888 11.257 -2.442 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.143 13.709 -1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.349 14.858 -1.222 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.051 13.080 -2.548 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.542 14.505 -1.635 1.00 0.00 H new ATOM 226 N ALA A 15 1.517 9.466 -5.822 1.00 0.00 N ATOM 227 CA ALA A 15 2.263 9.662 -7.062 1.00 0.00 C ATOM 228 C ALA A 15 2.375 8.366 -7.856 1.00 0.00 C ATOM 229 O ALA A 15 2.572 8.391 -9.071 1.00 0.00 O ATOM 230 CB ALA A 15 3.663 10.188 -6.744 1.00 0.00 C ATOM 0 H ALA A 15 2.028 9.728 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 15 1.721 10.387 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.217 10.333 -7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.583 11.139 -6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.188 9.468 -6.117 1.00 0.00 H new ATOM 236 N MET A 16 2.264 7.236 -7.165 1.00 0.00 N ATOM 237 CA MET A 16 2.367 5.924 -7.808 1.00 0.00 C ATOM 238 C MET A 16 1.077 5.122 -7.635 1.00 0.00 C ATOM 239 O MET A 16 0.944 4.026 -8.179 1.00 0.00 O ATOM 240 CB MET A 16 3.555 5.175 -7.200 1.00 0.00 C ATOM 241 CG MET A 16 4.854 5.701 -7.823 1.00 0.00 C ATOM 242 SD MET A 16 6.277 5.098 -6.880 1.00 0.00 S ATOM 243 CE MET A 16 6.456 6.529 -5.786 1.00 0.00 C ATOM 0 H MET A 16 2.103 7.199 -6.159 1.00 0.00 H new ATOM 0 HA MET A 16 2.522 6.057 -8.879 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.573 5.314 -6.119 1.00 0.00 H new ATOM 0 HB3 MET A 16 3.457 4.105 -7.382 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.929 5.374 -8.860 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.848 6.791 -7.832 1.00 0.00 H new ATOM 0 HE1 MET A 16 7.512 6.775 -5.679 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.926 7.381 -6.212 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.037 6.294 -4.808 1.00 0.00 H new ATOM 253 N THR A 17 0.129 5.674 -6.879 1.00 0.00 N ATOM 254 CA THR A 17 -1.153 5.004 -6.642 1.00 0.00 C ATOM 255 C THR A 17 -2.270 5.696 -7.419 1.00 0.00 C ATOM 256 O THR A 17 -3.375 5.171 -7.527 1.00 0.00 O ATOM 257 CB THR A 17 -1.478 5.014 -5.146 1.00 0.00 C ATOM 258 OG1 THR A 17 -0.462 4.320 -4.432 1.00 0.00 O ATOM 259 CG2 THR A 17 -2.827 4.336 -4.908 1.00 0.00 C ATOM 0 H THR A 17 0.222 6.580 -6.421 1.00 0.00 H new ATOM 0 HA THR A 17 -1.075 3.973 -6.987 1.00 0.00 H new ATOM 0 HB THR A 17 -1.526 6.045 -4.795 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.371 4.834 -4.466 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.056 4.345 -3.842 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.605 4.873 -5.450 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.784 3.306 -5.261 1.00 0.00 H new ATOM 267 N ARG A 18 -1.984 6.871 -7.972 1.00 0.00 N ATOM 268 CA ARG A 18 -2.980 7.583 -8.744 1.00 0.00 C ATOM 269 C ARG A 18 -3.222 6.846 -10.054 1.00 0.00 C ATOM 270 O ARG A 18 -4.360 6.582 -10.442 1.00 0.00 O ATOM 271 CB ARG A 18 -2.464 8.988 -9.028 1.00 0.00 C ATOM 272 CG ARG A 18 -3.523 9.788 -9.768 1.00 0.00 C ATOM 273 CD ARG A 18 -2.978 11.184 -10.045 1.00 0.00 C ATOM 274 NE ARG A 18 -2.804 11.920 -8.796 1.00 0.00 N ATOM 275 CZ ARG A 18 -3.834 12.522 -8.207 1.00 0.00 C ATOM 276 NH1 ARG A 18 -4.606 11.848 -7.399 1.00 0.00 N ATOM 277 NH2 ARG A 18 -4.079 13.781 -8.444 1.00 0.00 N ATOM 0 H ARG A 18 -1.081 7.340 -7.898 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.917 7.641 -8.190 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.207 9.486 -8.093 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.552 8.937 -9.623 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.786 9.293 -10.703 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.434 9.850 -9.173 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.024 11.112 -10.568 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.661 11.724 -10.701 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.879 11.973 -8.369 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.419 10.861 -7.220 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.396 12.308 -6.947 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.481 14.306 -9.082 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.869 14.241 -7.992 1.00 0.00 H new ATOM 291 N ASN A 19 -2.124 6.518 -10.719 1.00 0.00 N ATOM 292 CA ASN A 19 -2.183 5.807 -11.989 1.00 0.00 C ATOM 293 C ASN A 19 -3.133 4.624 -11.873 1.00 0.00 C ATOM 294 O ASN A 19 -3.664 4.132 -12.871 1.00 0.00 O ATOM 295 CB ASN A 19 -0.789 5.311 -12.369 1.00 0.00 C ATOM 296 CG ASN A 19 -0.858 4.478 -13.644 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.910 3.250 -13.582 1.00 0.00 O ATOM 298 ND2 ASN A 19 -0.857 5.077 -14.802 1.00 0.00 N ATOM 0 H ASN A 19 -1.179 6.733 -10.400 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.546 6.485 -12.761 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.120 6.159 -12.515 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.373 4.714 -11.557 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.899 4.528 -15.660 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.814 6.095 -14.850 1.00 0.00 H new ATOM 305 N TYR A 20 -3.338 4.175 -10.640 1.00 0.00 N ATOM 306 CA TYR A 20 -4.220 3.047 -10.367 1.00 0.00 C ATOM 307 C TYR A 20 -5.656 3.517 -10.149 1.00 0.00 C ATOM 308 O TYR A 20 -5.980 4.121 -9.129 1.00 0.00 O ATOM 309 CB TYR A 20 -3.719 2.305 -9.117 1.00 0.00 C ATOM 310 CG TYR A 20 -2.594 1.363 -9.484 1.00 0.00 C ATOM 311 CD1 TYR A 20 -1.316 1.861 -9.768 1.00 0.00 C ATOM 312 CD2 TYR A 20 -2.840 -0.012 -9.547 1.00 0.00 C ATOM 313 CE1 TYR A 20 -0.284 0.980 -10.114 1.00 0.00 C ATOM 314 CE2 TYR A 20 -1.812 -0.891 -9.894 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.532 -0.396 -10.177 1.00 0.00 C ATOM 316 OH TYR A 20 0.484 -1.259 -10.524 1.00 0.00 O ATOM 0 H TYR A 20 -2.903 4.577 -9.810 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.209 2.377 -11.227 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.374 3.023 -8.373 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.538 1.746 -8.664 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.127 2.923 -9.720 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.826 -0.394 -9.327 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.702 1.362 -10.332 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.004 -1.953 -9.944 1.00 0.00 H new ATOM 0 HH TYR A 20 0.107 -2.047 -10.967 1.00 0.00 H new ATOM 326 N GLU A 21 -6.507 3.241 -11.129 1.00 0.00 N ATOM 327 CA GLU A 21 -7.912 3.636 -11.052 1.00 0.00 C ATOM 328 C GLU A 21 -8.635 2.831 -9.984 1.00 0.00 C ATOM 329 O GLU A 21 -8.066 1.902 -9.414 1.00 0.00 O ATOM 330 CB GLU A 21 -8.597 3.414 -12.396 1.00 0.00 C ATOM 331 CG GLU A 21 -7.974 4.332 -13.444 1.00 0.00 C ATOM 332 CD GLU A 21 -6.580 3.834 -13.807 1.00 0.00 C ATOM 333 OE1 GLU A 21 -6.278 2.695 -13.490 1.00 0.00 O ATOM 334 OE2 GLU A 21 -5.833 4.598 -14.396 1.00 0.00 O ATOM 0 H GLU A 21 -6.253 2.747 -11.984 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.953 4.694 -10.793 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.493 2.373 -12.701 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.665 3.616 -12.309 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.602 4.361 -14.334 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.917 5.351 -13.060 1.00 0.00 H new ATOM 341 N HIS A 22 -9.886 3.210 -9.701 1.00 0.00 N ATOM 342 CA HIS A 22 -10.669 2.522 -8.680 1.00 0.00 C ATOM 343 C HIS A 22 -9.995 2.705 -7.322 1.00 0.00 C ATOM 344 O HIS A 22 -10.485 2.239 -6.294 1.00 0.00 O ATOM 345 CB HIS A 22 -10.781 1.033 -9.039 1.00 0.00 C ATOM 346 CG HIS A 22 -11.847 0.362 -8.213 1.00 0.00 C ATOM 347 ND1 HIS A 22 -11.838 0.379 -6.827 1.00 0.00 N ATOM 348 CD2 HIS A 22 -12.946 -0.376 -8.569 1.00 0.00 C ATOM 349 CE1 HIS A 22 -12.899 -0.328 -6.405 1.00 0.00 C ATOM 350 NE2 HIS A 22 -13.610 -0.808 -7.426 1.00 0.00 N ATOM 0 H HIS A 22 -10.370 3.981 -10.161 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.674 2.942 -8.631 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.015 0.926 -10.098 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.823 0.541 -8.873 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.150 0.844 -6.235 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.250 -0.590 -9.583 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.146 -0.488 -5.366 1.00 0.00 H new ATOM 358 N VAL A 23 -8.861 3.409 -7.338 1.00 0.00 N ATOM 359 CA VAL A 23 -8.093 3.684 -6.124 1.00 0.00 C ATOM 360 C VAL A 23 -7.794 5.178 -6.024 1.00 0.00 C ATOM 361 O VAL A 23 -7.300 5.790 -6.971 1.00 0.00 O ATOM 362 CB VAL A 23 -6.784 2.889 -6.171 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.969 3.111 -4.898 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.109 1.405 -6.313 1.00 0.00 C ATOM 0 H VAL A 23 -8.453 3.801 -8.186 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.671 3.385 -5.249 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.194 3.230 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.044 2.537 -4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.733 4.170 -4.797 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.548 2.784 -4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.183 0.831 -6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.706 1.080 -5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.671 1.242 -7.233 1.00 0.00 H new ATOM 374 N ASP A 24 -8.091 5.750 -4.865 1.00 0.00 N ATOM 375 CA ASP A 24 -7.852 7.174 -4.620 1.00 0.00 C ATOM 376 C ASP A 24 -7.531 7.389 -3.148 1.00 0.00 C ATOM 377 O ASP A 24 -8.390 7.217 -2.288 1.00 0.00 O ATOM 378 CB ASP A 24 -9.082 7.995 -5.009 1.00 0.00 C ATOM 379 CG ASP A 24 -10.311 7.475 -4.272 1.00 0.00 C ATOM 380 OD1 ASP A 24 -10.245 6.373 -3.755 1.00 0.00 O ATOM 381 OD2 ASP A 24 -11.303 8.186 -4.241 1.00 0.00 O ATOM 0 H ASP A 24 -8.499 5.251 -4.074 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.009 7.502 -5.228 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.920 9.045 -4.767 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.242 7.937 -6.086 1.00 0.00 H new ATOM 386 N ILE A 25 -6.281 7.733 -2.869 1.00 0.00 N ATOM 387 CA ILE A 25 -5.839 7.926 -1.491 1.00 0.00 C ATOM 388 C ILE A 25 -6.421 9.190 -0.854 1.00 0.00 C ATOM 389 O ILE A 25 -5.964 10.306 -1.103 1.00 0.00 O ATOM 390 CB ILE A 25 -4.304 7.960 -1.444 1.00 0.00 C ATOM 391 CG1 ILE A 25 -3.780 6.569 -1.824 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.820 8.334 -0.036 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.256 6.595 -1.946 1.00 0.00 C ATOM 0 H ILE A 25 -5.558 7.884 -3.572 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.211 7.084 -0.907 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.930 8.709 -2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.080 5.841 -1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.222 6.251 -2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.730 8.354 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.205 9.318 0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.181 7.596 0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.896 5.602 -2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.965 7.309 -2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.820 6.892 -0.992 1.00 0.00 H new ATOM 405 N GLN A 26 -7.426 8.978 -0.001 1.00 0.00 N ATOM 406 CA GLN A 26 -8.086 10.064 0.729 1.00 0.00 C ATOM 407 C GLN A 26 -7.603 10.053 2.176 1.00 0.00 C ATOM 408 O GLN A 26 -7.780 11.013 2.924 1.00 0.00 O ATOM 409 CB GLN A 26 -9.605 9.860 0.693 1.00 0.00 C ATOM 410 CG GLN A 26 -10.308 11.045 1.363 1.00 0.00 C ATOM 411 CD GLN A 26 -11.821 10.904 1.234 1.00 0.00 C ATOM 412 OE1 GLN A 26 -12.361 9.809 1.389 1.00 0.00 O ATOM 413 NE2 GLN A 26 -12.543 11.959 0.971 1.00 0.00 N ATOM 0 H GLN A 26 -7.804 8.053 0.203 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.843 11.020 0.266 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.943 9.762 -0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.868 8.934 1.204 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.029 11.095 2.415 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.982 11.978 0.903 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.094 12.866 0.843 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.557 11.877 0.894 1.00 0.00 H new ATOM 422 N ASN A 27 -6.974 8.944 2.542 1.00 0.00 N ATOM 423 CA ASN A 27 -6.435 8.760 3.879 1.00 0.00 C ATOM 424 C ASN A 27 -5.688 7.435 3.916 1.00 0.00 C ATOM 425 O ASN A 27 -5.457 6.821 2.874 1.00 0.00 O ATOM 426 CB ASN A 27 -7.562 8.754 4.925 1.00 0.00 C ATOM 427 CG ASN A 27 -6.992 9.037 6.314 1.00 0.00 C ATOM 428 OD1 ASN A 27 -6.043 9.812 6.450 1.00 0.00 O ATOM 429 ND2 ASN A 27 -7.514 8.456 7.359 1.00 0.00 N ATOM 0 H ASN A 27 -6.824 8.149 1.920 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.761 9.583 4.116 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.309 9.506 4.670 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.067 7.788 4.921 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.137 8.643 8.288 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.299 7.815 7.247 1.00 0.00 H new ATOM 436 N PHE A 28 -5.313 6.990 5.108 1.00 0.00 N ATOM 437 CA PHE A 28 -4.596 5.725 5.246 1.00 0.00 C ATOM 438 C PHE A 28 -5.545 4.622 5.705 1.00 0.00 C ATOM 439 O PHE A 28 -5.186 3.446 5.728 1.00 0.00 O ATOM 440 CB PHE A 28 -3.467 5.886 6.264 1.00 0.00 C ATOM 441 CG PHE A 28 -2.369 6.731 5.660 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.626 6.235 4.584 1.00 0.00 C ATOM 443 CD2 PHE A 28 -2.097 8.008 6.170 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.612 7.011 4.015 1.00 0.00 C ATOM 445 CE2 PHE A 28 -1.080 8.785 5.601 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.337 8.286 4.522 1.00 0.00 C ATOM 0 H PHE A 28 -5.490 7.478 5.986 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.180 5.449 4.277 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.845 6.355 7.173 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.076 4.909 6.548 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.836 5.251 4.192 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.671 8.392 7.000 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.040 6.626 3.183 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.868 9.769 5.994 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.447 8.885 4.082 1.00 0.00 H new ATOM 456 N SER A 29 -6.747 5.025 6.115 1.00 0.00 N ATOM 457 CA SER A 29 -7.750 4.081 6.629 1.00 0.00 C ATOM 458 C SER A 29 -8.910 3.880 5.658 1.00 0.00 C ATOM 459 O SER A 29 -9.090 2.795 5.104 1.00 0.00 O ATOM 460 CB SER A 29 -8.304 4.618 7.949 1.00 0.00 C ATOM 461 OG SER A 29 -7.225 5.024 8.781 1.00 0.00 O ATOM 0 H SER A 29 -7.054 5.998 6.103 1.00 0.00 H new ATOM 0 HA SER A 29 -7.258 3.118 6.766 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.970 5.460 7.761 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.894 3.850 8.448 1.00 0.00 H new ATOM 0 HG SER A 29 -7.577 5.370 9.628 1.00 0.00 H new ATOM 467 N SER A 30 -9.709 4.924 5.484 1.00 0.00 N ATOM 468 CA SER A 30 -10.880 4.861 4.612 1.00 0.00 C ATOM 469 C SER A 30 -10.505 4.531 3.173 1.00 0.00 C ATOM 470 O SER A 30 -11.160 3.715 2.525 1.00 0.00 O ATOM 471 CB SER A 30 -11.620 6.200 4.645 1.00 0.00 C ATOM 472 OG SER A 30 -12.524 6.266 3.551 1.00 0.00 O ATOM 0 H SER A 30 -9.569 5.828 5.935 1.00 0.00 H new ATOM 0 HA SER A 30 -11.522 4.062 4.984 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.161 6.306 5.585 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.908 7.023 4.593 1.00 0.00 H new ATOM 0 HG SER A 30 -13.000 7.122 3.571 1.00 0.00 H new ATOM 478 N SER A 31 -9.470 5.181 2.671 1.00 0.00 N ATOM 479 CA SER A 31 -9.043 4.959 1.297 1.00 0.00 C ATOM 480 C SER A 31 -8.390 3.588 1.148 1.00 0.00 C ATOM 481 O SER A 31 -7.935 3.226 0.063 1.00 0.00 O ATOM 482 CB SER A 31 -8.054 6.060 0.887 1.00 0.00 C ATOM 483 OG SER A 31 -6.720 5.561 0.944 1.00 0.00 O ATOM 0 H SER A 31 -8.912 5.862 3.187 1.00 0.00 H new ATOM 0 HA SER A 31 -9.917 4.992 0.647 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.279 6.406 -0.122 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.158 6.919 1.549 1.00 0.00 H new ATOM 0 HG SER A 31 -6.355 5.705 1.842 1.00 0.00 H new ATOM 489 N TRP A 32 -8.332 2.836 2.245 1.00 0.00 N ATOM 490 CA TRP A 32 -7.714 1.510 2.237 1.00 0.00 C ATOM 491 C TRP A 32 -8.735 0.411 2.528 1.00 0.00 C ATOM 492 O TRP A 32 -8.420 -0.776 2.445 1.00 0.00 O ATOM 493 CB TRP A 32 -6.644 1.490 3.314 1.00 0.00 C ATOM 494 CG TRP A 32 -5.520 2.369 2.906 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.601 3.709 2.761 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.152 2.002 2.598 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.366 4.186 2.364 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.437 3.170 2.259 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.473 0.775 2.575 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.086 3.121 1.917 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.116 0.723 2.225 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.423 1.894 1.901 1.00 0.00 C ATOM 0 H TRP A 32 -8.705 3.121 3.151 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.293 1.320 1.250 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.060 1.829 4.262 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.287 0.472 3.469 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.484 4.308 2.928 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.166 5.168 2.172 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -3.998 -0.134 2.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.556 4.028 1.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.603 -0.227 2.206 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.376 1.848 1.639 1.00 0.00 H new ATOM 513 N SER A 33 -9.947 0.812 2.892 1.00 0.00 N ATOM 514 CA SER A 33 -10.991 -0.151 3.218 1.00 0.00 C ATOM 515 C SER A 33 -11.239 -1.118 2.061 1.00 0.00 C ATOM 516 O SER A 33 -11.724 -2.230 2.272 1.00 0.00 O ATOM 517 CB SER A 33 -12.296 0.579 3.552 1.00 0.00 C ATOM 518 OG SER A 33 -13.386 -0.322 3.407 1.00 0.00 O ATOM 0 H SER A 33 -10.230 1.789 2.968 1.00 0.00 H new ATOM 0 HA SER A 33 -10.654 -0.723 4.083 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.260 0.965 4.571 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.427 1.436 2.891 1.00 0.00 H new ATOM 0 HG SER A 33 -14.223 0.140 3.621 1.00 0.00 H new ATOM 524 N SER A 34 -10.919 -0.693 0.844 1.00 0.00 N ATOM 525 CA SER A 34 -11.127 -1.537 -0.328 1.00 0.00 C ATOM 526 C SER A 34 -10.064 -2.630 -0.438 1.00 0.00 C ATOM 527 O SER A 34 -10.277 -3.647 -1.098 1.00 0.00 O ATOM 528 CB SER A 34 -11.098 -0.668 -1.593 1.00 0.00 C ATOM 529 OG SER A 34 -11.681 0.597 -1.308 1.00 0.00 O ATOM 0 H SER A 34 -10.518 0.223 0.643 1.00 0.00 H new ATOM 0 HA SER A 34 -12.097 -2.023 -0.223 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.071 -0.539 -1.936 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.644 -1.160 -2.398 1.00 0.00 H new ATOM 0 HG SER A 34 -11.662 1.155 -2.114 1.00 0.00 H new ATOM 535 N GLY A 35 -8.910 -2.406 0.183 1.00 0.00 N ATOM 536 CA GLY A 35 -7.823 -3.374 0.103 1.00 0.00 C ATOM 537 C GLY A 35 -7.133 -3.223 -1.245 1.00 0.00 C ATOM 538 O GLY A 35 -6.051 -3.763 -1.480 1.00 0.00 O ATOM 0 H GLY A 35 -8.705 -1.576 0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.111 -3.211 0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.210 -4.387 0.218 1.00 0.00 H new ATOM 542 N MET A 36 -7.784 -2.459 -2.114 1.00 0.00 N ATOM 543 CA MET A 36 -7.280 -2.189 -3.450 1.00 0.00 C ATOM 544 C MET A 36 -5.961 -1.417 -3.371 1.00 0.00 C ATOM 545 O MET A 36 -5.110 -1.527 -4.253 1.00 0.00 O ATOM 546 CB MET A 36 -8.322 -1.373 -4.227 1.00 0.00 C ATOM 547 CG MET A 36 -9.672 -2.106 -4.220 1.00 0.00 C ATOM 548 SD MET A 36 -9.618 -3.519 -5.351 1.00 0.00 S ATOM 549 CE MET A 36 -10.141 -2.626 -6.836 1.00 0.00 C ATOM 0 H MET A 36 -8.677 -2.010 -1.910 1.00 0.00 H new ATOM 0 HA MET A 36 -7.098 -3.132 -3.965 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.432 -0.386 -3.778 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.986 -1.221 -5.253 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.905 -2.446 -3.211 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.467 -1.423 -4.517 1.00 0.00 H new ATOM 0 HE1 MET A 36 -9.642 -3.048 -7.709 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.221 -2.719 -6.955 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.876 -1.573 -6.740 1.00 0.00 H new ATOM 559 N ALA A 37 -5.814 -0.622 -2.312 1.00 0.00 N ATOM 560 CA ALA A 37 -4.608 0.181 -2.123 1.00 0.00 C ATOM 561 C ALA A 37 -3.357 -0.695 -1.970 1.00 0.00 C ATOM 562 O ALA A 37 -2.371 -0.497 -2.681 1.00 0.00 O ATOM 563 CB ALA A 37 -4.773 1.076 -0.893 1.00 0.00 C ATOM 0 H ALA A 37 -6.512 -0.517 -1.575 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.472 0.796 -3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.872 1.674 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.628 1.736 -1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.936 0.456 -0.011 1.00 0.00 H new ATOM 569 N PHE A 38 -3.387 -1.652 -1.040 1.00 0.00 N ATOM 570 CA PHE A 38 -2.227 -2.520 -0.823 1.00 0.00 C ATOM 571 C PHE A 38 -1.837 -3.253 -2.112 1.00 0.00 C ATOM 572 O PHE A 38 -0.658 -3.319 -2.459 1.00 0.00 O ATOM 573 CB PHE A 38 -2.526 -3.542 0.301 1.00 0.00 C ATOM 574 CG PHE A 38 -2.124 -2.978 1.651 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.765 -2.795 1.936 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.089 -2.643 2.612 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.371 -2.282 3.176 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.687 -2.130 3.857 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.330 -1.951 4.132 1.00 0.00 C ATOM 0 H PHE A 38 -4.186 -1.844 -0.435 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.388 -1.893 -0.521 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.588 -3.788 0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.985 -4.469 0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.020 -3.050 1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.138 -2.779 2.396 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.678 -2.142 3.393 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.427 -1.874 4.601 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.022 -1.555 5.088 1.00 0.00 H new ATOM 589 N CYS A 39 -2.822 -3.806 -2.811 1.00 0.00 N ATOM 590 CA CYS A 39 -2.549 -4.534 -4.052 1.00 0.00 C ATOM 591 C CYS A 39 -2.007 -3.595 -5.135 1.00 0.00 C ATOM 592 O CYS A 39 -1.044 -3.915 -5.832 1.00 0.00 O ATOM 593 CB CYS A 39 -3.839 -5.203 -4.553 1.00 0.00 C ATOM 594 SG CYS A 39 -4.051 -6.802 -3.735 1.00 0.00 S ATOM 0 H CYS A 39 -3.806 -3.767 -2.547 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.794 -5.292 -3.844 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.696 -4.562 -4.348 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.794 -5.339 -5.634 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.123 -7.382 -4.188 1.00 0.00 H new ATOM 600 N ALA A 40 -2.661 -2.456 -5.285 1.00 0.00 N ATOM 601 CA ALA A 40 -2.286 -1.479 -6.307 1.00 0.00 C ATOM 602 C ALA A 40 -0.871 -0.940 -6.103 1.00 0.00 C ATOM 603 O ALA A 40 -0.116 -0.775 -7.061 1.00 0.00 O ATOM 604 CB ALA A 40 -3.278 -0.318 -6.275 1.00 0.00 C ATOM 0 H ALA A 40 -3.458 -2.179 -4.712 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.309 -1.983 -7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.005 0.415 -7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.282 -0.692 -6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.256 0.153 -5.292 1.00 0.00 H new ATOM 610 N LEU A 41 -0.527 -0.656 -4.857 1.00 0.00 N ATOM 611 CA LEU A 41 0.792 -0.118 -4.539 1.00 0.00 C ATOM 612 C LEU A 41 1.893 -1.118 -4.911 1.00 0.00 C ATOM 613 O LEU A 41 2.910 -0.746 -5.499 1.00 0.00 O ATOM 614 CB LEU A 41 0.841 0.206 -3.040 1.00 0.00 C ATOM 615 CG LEU A 41 2.188 0.828 -2.649 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.373 2.186 -3.348 1.00 0.00 C ATOM 617 CD2 LEU A 41 2.209 1.026 -1.129 1.00 0.00 C ATOM 0 H LEU A 41 -1.138 -0.787 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 41 0.964 0.789 -5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.033 0.893 -2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.677 -0.704 -2.463 1.00 0.00 H new ATOM 0 HG LEU A 41 2.999 0.167 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.333 2.615 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.347 2.046 -4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.570 2.861 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.160 1.468 -0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.395 1.689 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.087 0.062 -0.635 1.00 0.00 H new ATOM 629 N ILE A 42 1.676 -2.384 -4.568 1.00 0.00 N ATOM 630 CA ILE A 42 2.642 -3.446 -4.866 1.00 0.00 C ATOM 631 C ILE A 42 2.774 -3.679 -6.375 1.00 0.00 C ATOM 632 O ILE A 42 3.880 -3.841 -6.892 1.00 0.00 O ATOM 633 CB ILE A 42 2.187 -4.741 -4.170 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.307 -4.578 -2.641 1.00 0.00 C ATOM 635 CG2 ILE A 42 3.031 -5.942 -4.626 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.768 -4.316 -2.208 1.00 0.00 C ATOM 0 H ILE A 42 0.838 -2.704 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 42 3.621 -3.143 -4.495 1.00 0.00 H new ATOM 0 HB ILE A 42 1.148 -4.928 -4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.676 -3.752 -2.312 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.937 -5.477 -2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.687 -6.843 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.928 -6.071 -5.703 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.078 -5.765 -4.381 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.812 -4.207 -1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.394 -5.154 -2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.129 -3.402 -2.680 1.00 0.00 H new ATOM 648 N HIS A 43 1.640 -3.713 -7.066 1.00 0.00 N ATOM 649 CA HIS A 43 1.627 -3.950 -8.511 1.00 0.00 C ATOM 650 C HIS A 43 2.493 -2.933 -9.246 1.00 0.00 C ATOM 651 O HIS A 43 2.786 -3.087 -10.433 1.00 0.00 O ATOM 652 CB HIS A 43 0.187 -3.853 -9.017 1.00 0.00 C ATOM 653 CG HIS A 43 0.122 -4.230 -10.472 1.00 0.00 C ATOM 654 ND1 HIS A 43 -0.286 -3.334 -11.449 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.397 -5.402 -11.133 1.00 0.00 C ATOM 656 CE1 HIS A 43 -0.246 -3.975 -12.631 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.165 -5.238 -12.495 1.00 0.00 N ATOM 0 H HIS A 43 0.717 -3.580 -6.653 1.00 0.00 H new ATOM 0 HA HIS A 43 2.033 -4.943 -8.704 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.456 -4.512 -8.434 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.187 -2.839 -8.879 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.741 -6.313 -10.666 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.514 -3.523 -13.575 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.283 -5.934 -13.232 1.00 0.00 H new ATOM 665 N LYS A 44 2.886 -1.889 -8.534 1.00 0.00 N ATOM 666 CA LYS A 44 3.708 -0.835 -9.117 1.00 0.00 C ATOM 667 C LYS A 44 5.175 -1.245 -9.200 1.00 0.00 C ATOM 668 O LYS A 44 5.872 -0.903 -10.156 1.00 0.00 O ATOM 669 CB LYS A 44 3.599 0.434 -8.267 1.00 0.00 C ATOM 670 CG LYS A 44 4.299 1.617 -8.970 1.00 0.00 C ATOM 671 CD LYS A 44 3.334 2.292 -9.963 1.00 0.00 C ATOM 672 CE LYS A 44 4.008 3.493 -10.667 1.00 0.00 C ATOM 673 NZ LYS A 44 3.943 3.288 -12.143 1.00 0.00 N ATOM 0 H LYS A 44 2.650 -1.747 -7.552 1.00 0.00 H new ATOM 0 HA LYS A 44 3.341 -0.652 -10.127 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.550 0.675 -8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.052 0.264 -7.290 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.636 2.342 -8.229 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.186 1.264 -9.496 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.008 1.566 -10.708 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.442 2.630 -9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.506 4.421 -10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.045 3.585 -10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.394 4.091 -12.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.441 2.410 -12.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.949 3.220 -12.441 1.00 0.00 H new ATOM 687 N PHE A 45 5.651 -1.941 -8.179 1.00 0.00 N ATOM 688 CA PHE A 45 7.050 -2.350 -8.127 1.00 0.00 C ATOM 689 C PHE A 45 7.309 -3.636 -8.917 1.00 0.00 C ATOM 690 O PHE A 45 8.365 -3.796 -9.527 1.00 0.00 O ATOM 691 CB PHE A 45 7.451 -2.567 -6.664 1.00 0.00 C ATOM 692 CG PHE A 45 6.776 -1.529 -5.792 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.890 -0.170 -6.102 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.032 -1.930 -4.673 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.262 0.788 -5.297 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.405 -0.974 -3.869 1.00 0.00 C ATOM 697 CZ PHE A 45 5.520 0.386 -4.181 1.00 0.00 C ATOM 0 H PHE A 45 5.093 -2.235 -7.377 1.00 0.00 H new ATOM 0 HA PHE A 45 7.646 -1.559 -8.582 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.164 -3.568 -6.343 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.534 -2.496 -6.559 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.463 0.141 -6.963 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.943 -2.979 -4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.350 1.837 -5.537 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.832 -1.284 -3.008 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.036 1.125 -3.560 1.00 0.00 H new ATOM 707 N PHE A 46 6.360 -4.567 -8.856 1.00 0.00 N ATOM 708 CA PHE A 46 6.503 -5.867 -9.520 1.00 0.00 C ATOM 709 C PHE A 46 5.341 -6.132 -10.498 1.00 0.00 C ATOM 710 O PHE A 46 4.226 -6.406 -10.057 1.00 0.00 O ATOM 711 CB PHE A 46 6.521 -6.940 -8.432 1.00 0.00 C ATOM 712 CG PHE A 46 7.369 -6.446 -7.281 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.739 -6.232 -7.465 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.782 -6.186 -6.037 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.521 -5.761 -6.402 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.561 -5.718 -4.977 1.00 0.00 C ATOM 717 CZ PHE A 46 8.929 -5.504 -5.159 1.00 0.00 C ATOM 0 H PHE A 46 5.481 -4.448 -8.353 1.00 0.00 H new ATOM 0 HA PHE A 46 7.424 -5.881 -10.102 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.507 -7.151 -8.092 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.925 -7.872 -8.827 1.00 0.00 H new ATOM 0 HD1 PHE A 46 9.193 -6.429 -8.425 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.723 -6.348 -5.897 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.579 -5.596 -6.541 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.106 -5.522 -4.017 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.531 -5.140 -4.340 1.00 0.00 H new ATOM 727 N PRO A 47 5.554 -6.061 -11.804 1.00 0.00 N ATOM 728 CA PRO A 47 4.463 -6.308 -12.798 1.00 0.00 C ATOM 729 C PRO A 47 4.077 -7.785 -12.867 1.00 0.00 C ATOM 730 O PRO A 47 2.930 -8.128 -13.159 1.00 0.00 O ATOM 731 CB PRO A 47 5.030 -5.813 -14.150 1.00 0.00 C ATOM 732 CG PRO A 47 6.422 -5.308 -13.877 1.00 0.00 C ATOM 733 CD PRO A 47 6.827 -5.756 -12.472 1.00 0.00 C ATOM 0 HA PRO A 47 3.548 -5.785 -12.521 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.048 -6.621 -14.881 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.406 -5.022 -14.565 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.120 -5.700 -14.617 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.454 -4.221 -13.953 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.477 -6.630 -12.506 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.373 -4.972 -11.947 1.00 0.00 H new ATOM 741 N GLU A 48 5.043 -8.648 -12.585 1.00 0.00 N ATOM 742 CA GLU A 48 4.797 -10.082 -12.600 1.00 0.00 C ATOM 743 C GLU A 48 3.864 -10.426 -11.450 1.00 0.00 C ATOM 744 O GLU A 48 3.266 -11.501 -11.404 1.00 0.00 O ATOM 745 CB GLU A 48 6.119 -10.839 -12.455 1.00 0.00 C ATOM 746 CG GLU A 48 5.876 -12.344 -12.600 1.00 0.00 C ATOM 747 CD GLU A 48 7.203 -13.094 -12.540 1.00 0.00 C ATOM 748 OE1 GLU A 48 8.190 -12.485 -12.163 1.00 0.00 O ATOM 749 OE2 GLU A 48 7.211 -14.268 -12.870 1.00 0.00 O ATOM 0 H GLU A 48 5.998 -8.382 -12.345 1.00 0.00 H new ATOM 0 HA GLU A 48 4.337 -10.372 -13.545 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.826 -10.501 -13.212 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.566 -10.626 -11.484 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.216 -12.692 -11.806 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.374 -12.550 -13.545 1.00 0.00 H new ATOM 756 N ALA A 49 3.753 -9.482 -10.521 1.00 0.00 N ATOM 757 CA ALA A 49 2.896 -9.650 -9.344 1.00 0.00 C ATOM 758 C ALA A 49 1.569 -10.318 -9.689 1.00 0.00 C ATOM 759 O ALA A 49 1.366 -11.506 -9.439 1.00 0.00 O ATOM 760 CB ALA A 49 2.589 -8.285 -8.733 1.00 0.00 C ATOM 0 H ALA A 49 4.245 -8.589 -10.557 1.00 0.00 H new ATOM 0 HA ALA A 49 3.438 -10.286 -8.643 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.952 -8.413 -7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.520 -7.802 -8.436 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.076 -7.664 -9.468 1.00 0.00 H new ATOM 766 N PHE A 50 0.673 -9.526 -10.260 1.00 0.00 N ATOM 767 CA PHE A 50 -0.640 -10.001 -10.643 1.00 0.00 C ATOM 768 C PHE A 50 -1.334 -8.948 -11.492 1.00 0.00 C ATOM 769 O PHE A 50 -0.943 -7.780 -11.490 1.00 0.00 O ATOM 770 CB PHE A 50 -1.480 -10.294 -9.394 1.00 0.00 C ATOM 771 CG PHE A 50 -1.356 -9.156 -8.407 1.00 0.00 C ATOM 772 CD1 PHE A 50 -2.079 -7.971 -8.602 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.526 -9.291 -7.289 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.965 -6.922 -7.679 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.411 -8.244 -6.369 1.00 0.00 C ATOM 776 CZ PHE A 50 -1.130 -7.060 -6.563 1.00 0.00 C ATOM 0 H PHE A 50 0.839 -8.541 -10.468 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.532 -10.920 -11.220 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.525 -10.432 -9.673 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.148 -11.224 -8.933 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.723 -7.866 -9.462 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.027 -10.206 -7.136 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.521 -6.008 -7.828 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.233 -8.350 -5.509 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.041 -6.252 -5.852 1.00 0.00 H new ATOM 786 N ASP A 51 -2.373 -9.358 -12.199 1.00 0.00 N ATOM 787 CA ASP A 51 -3.126 -8.431 -13.032 1.00 0.00 C ATOM 788 C ASP A 51 -4.147 -7.688 -12.169 1.00 0.00 C ATOM 789 O ASP A 51 -5.241 -8.185 -11.917 1.00 0.00 O ATOM 790 CB ASP A 51 -3.825 -9.206 -14.166 1.00 0.00 C ATOM 791 CG ASP A 51 -4.163 -10.620 -13.701 1.00 0.00 C ATOM 792 OD1 ASP A 51 -4.368 -10.794 -12.512 1.00 0.00 O ATOM 793 OD2 ASP A 51 -4.210 -11.505 -14.540 1.00 0.00 O ATOM 0 H ASP A 51 -2.714 -10.319 -12.215 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.451 -7.701 -13.479 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.735 -8.686 -14.466 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.178 -9.247 -15.042 1.00 0.00 H new ATOM 798 N TYR A 52 -3.774 -6.502 -11.704 1.00 0.00 N ATOM 799 CA TYR A 52 -4.650 -5.702 -10.861 1.00 0.00 C ATOM 800 C TYR A 52 -5.931 -5.348 -11.594 1.00 0.00 C ATOM 801 O TYR A 52 -6.942 -5.019 -10.976 1.00 0.00 O ATOM 802 CB TYR A 52 -3.937 -4.408 -10.480 1.00 0.00 C ATOM 803 CG TYR A 52 -4.869 -3.519 -9.687 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.815 -2.736 -10.361 1.00 0.00 C ATOM 805 CD2 TYR A 52 -4.800 -3.485 -8.289 1.00 0.00 C ATOM 806 CE1 TYR A 52 -6.689 -1.918 -9.639 1.00 0.00 C ATOM 807 CE2 TYR A 52 -5.676 -2.666 -7.566 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.620 -1.883 -8.244 1.00 0.00 C ATOM 809 OH TYR A 52 -7.486 -1.076 -7.535 1.00 0.00 O ATOM 0 H TYR A 52 -2.869 -6.073 -11.898 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.896 -6.283 -9.972 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.047 -4.633 -9.892 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.603 -3.889 -11.378 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.869 -2.764 -11.439 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.072 -4.090 -7.769 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.417 -1.313 -10.159 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.624 -2.638 -6.488 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.219 -0.790 -8.119 1.00 0.00 H new ATOM 819 N ALA A 53 -5.883 -5.417 -12.916 1.00 0.00 N ATOM 820 CA ALA A 53 -7.052 -5.097 -13.725 1.00 0.00 C ATOM 821 C ALA A 53 -8.014 -6.278 -13.767 1.00 0.00 C ATOM 822 O ALA A 53 -9.184 -6.123 -14.114 1.00 0.00 O ATOM 823 CB ALA A 53 -6.614 -4.730 -15.142 1.00 0.00 C ATOM 0 H ALA A 53 -5.056 -5.689 -13.448 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.567 -4.248 -13.275 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.491 -4.491 -15.744 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.953 -3.864 -15.106 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.085 -5.572 -15.589 1.00 0.00 H new ATOM 829 N GLU A 54 -7.514 -7.461 -13.414 1.00 0.00 N ATOM 830 CA GLU A 54 -8.327 -8.660 -13.412 1.00 0.00 C ATOM 831 C GLU A 54 -9.040 -8.821 -12.077 1.00 0.00 C ATOM 832 O GLU A 54 -9.967 -9.621 -11.958 1.00 0.00 O ATOM 833 CB GLU A 54 -7.419 -9.866 -13.646 1.00 0.00 C ATOM 834 CG GLU A 54 -7.108 -10.007 -15.136 1.00 0.00 C ATOM 835 CD GLU A 54 -8.356 -10.447 -15.894 1.00 0.00 C ATOM 836 OE1 GLU A 54 -8.975 -11.409 -15.467 1.00 0.00 O ATOM 837 OE2 GLU A 54 -8.677 -9.815 -16.885 1.00 0.00 O ATOM 0 H GLU A 54 -6.546 -7.607 -13.126 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.076 -8.586 -14.200 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.493 -9.749 -13.083 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.903 -10.772 -13.280 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.749 -9.057 -15.532 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.310 -10.735 -15.281 1.00 0.00 H new ATOM 844 N LEU A 55 -8.607 -8.073 -11.068 1.00 0.00 N ATOM 845 CA LEU A 55 -9.223 -8.168 -9.753 1.00 0.00 C ATOM 846 C LEU A 55 -10.503 -7.352 -9.685 1.00 0.00 C ATOM 847 O LEU A 55 -10.638 -6.335 -10.364 1.00 0.00 O ATOM 848 CB LEU A 55 -8.229 -7.675 -8.703 1.00 0.00 C ATOM 849 CG LEU A 55 -7.080 -8.694 -8.592 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.925 -8.105 -7.772 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.582 -9.998 -7.925 1.00 0.00 C ATOM 0 H LEU A 55 -7.841 -7.402 -11.135 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.484 -9.209 -9.560 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.840 -6.696 -8.982 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.725 -7.558 -7.739 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.723 -8.923 -9.596 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.119 -8.836 -7.701 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.555 -7.203 -8.260 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.279 -7.857 -6.771 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.760 -10.710 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.957 -9.775 -6.926 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.383 -10.429 -8.526 1.00 0.00 H new ATOM 863 N ASP A 56 -11.447 -7.803 -8.855 1.00 0.00 N ATOM 864 CA ASP A 56 -12.723 -7.110 -8.699 1.00 0.00 C ATOM 865 C ASP A 56 -12.968 -6.774 -7.221 1.00 0.00 C ATOM 866 O ASP A 56 -12.572 -7.541 -6.343 1.00 0.00 O ATOM 867 CB ASP A 56 -13.843 -8.013 -9.206 1.00 0.00 C ATOM 868 CG ASP A 56 -13.762 -8.136 -10.723 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.478 -7.136 -11.362 1.00 0.00 O ATOM 870 OD2 ASP A 56 -13.978 -9.228 -11.225 1.00 0.00 O ATOM 0 H ASP A 56 -11.350 -8.642 -8.284 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.701 -6.183 -9.272 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.763 -8.999 -8.748 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.811 -7.604 -8.917 1.00 0.00 H new ATOM 875 N PRO A 57 -13.603 -5.658 -6.914 1.00 0.00 N ATOM 876 CA PRO A 57 -13.876 -5.270 -5.501 1.00 0.00 C ATOM 877 C PRO A 57 -14.563 -6.415 -4.765 1.00 0.00 C ATOM 878 O PRO A 57 -14.710 -6.391 -3.547 1.00 0.00 O ATOM 879 CB PRO A 57 -14.812 -4.042 -5.584 1.00 0.00 C ATOM 880 CG PRO A 57 -15.093 -3.807 -7.046 1.00 0.00 C ATOM 881 CD PRO A 57 -14.107 -4.651 -7.861 1.00 0.00 C ATOM 0 HA PRO A 57 -12.960 -5.042 -4.956 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.737 -4.223 -5.037 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.342 -3.167 -5.135 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.120 -4.084 -7.286 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.982 -2.750 -7.290 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -14.598 -5.120 -8.713 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.296 -4.040 -8.257 1.00 0.00 H new ATOM 889 N ALA A 58 -14.996 -7.405 -5.530 1.00 0.00 N ATOM 890 CA ALA A 58 -15.675 -8.562 -4.970 1.00 0.00 C ATOM 891 C ALA A 58 -14.703 -9.443 -4.192 1.00 0.00 C ATOM 892 O ALA A 58 -15.021 -9.931 -3.108 1.00 0.00 O ATOM 893 CB ALA A 58 -16.274 -9.384 -6.104 1.00 0.00 C ATOM 0 H ALA A 58 -14.888 -7.430 -6.544 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.453 -8.210 -4.292 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.785 -10.254 -5.692 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -16.986 -8.774 -6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.480 -9.713 -6.774 1.00 0.00 H new ATOM 899 N LYS A 59 -13.526 -9.655 -4.771 1.00 0.00 N ATOM 900 CA LYS A 59 -12.505 -10.500 -4.154 1.00 0.00 C ATOM 901 C LYS A 59 -11.584 -9.681 -3.251 1.00 0.00 C ATOM 902 O LYS A 59 -10.455 -9.380 -3.631 1.00 0.00 O ATOM 903 CB LYS A 59 -11.674 -11.161 -5.257 1.00 0.00 C ATOM 904 CG LYS A 59 -12.549 -12.139 -6.041 1.00 0.00 C ATOM 905 CD LYS A 59 -11.723 -12.780 -7.160 1.00 0.00 C ATOM 906 CE LYS A 59 -12.596 -13.763 -7.946 1.00 0.00 C ATOM 907 NZ LYS A 59 -11.793 -14.387 -9.037 1.00 0.00 N ATOM 0 H LYS A 59 -13.253 -9.253 -5.668 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.000 -11.255 -3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.270 -10.402 -5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.824 -11.686 -4.821 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.938 -12.909 -5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.408 -11.617 -6.462 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.335 -12.009 -7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.862 -13.299 -6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.983 -14.534 -7.280 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.457 -13.244 -8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.388 -15.054 -9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.445 -13.646 -9.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.985 -14.897 -8.626 1.00 0.00 H new ATOM 921 N ARG A 60 -12.070 -9.314 -2.064 1.00 0.00 N ATOM 922 CA ARG A 60 -11.272 -8.516 -1.123 1.00 0.00 C ATOM 923 C ARG A 60 -10.325 -9.381 -0.292 1.00 0.00 C ATOM 924 O ARG A 60 -9.140 -9.073 -0.179 1.00 0.00 O ATOM 925 CB ARG A 60 -12.207 -7.744 -0.187 1.00 0.00 C ATOM 926 CG ARG A 60 -12.889 -6.630 -0.976 1.00 0.00 C ATOM 927 CD ARG A 60 -13.953 -5.952 -0.113 1.00 0.00 C ATOM 928 NE ARG A 60 -15.079 -6.856 0.089 1.00 0.00 N ATOM 929 CZ ARG A 60 -16.056 -6.562 0.940 1.00 0.00 C ATOM 930 NH1 ARG A 60 -16.687 -5.422 0.843 1.00 0.00 N ATOM 931 NH2 ARG A 60 -16.387 -7.414 1.871 1.00 0.00 N ATOM 0 H ARG A 60 -13.004 -9.553 -1.731 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.664 -7.827 -1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.953 -8.416 0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.644 -7.325 0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.150 -5.897 -1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.346 -7.039 -1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.526 -5.668 0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.293 -5.035 -0.594 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.117 -7.731 -0.433 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.430 -4.757 0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.437 -5.197 1.497 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -15.896 -8.305 1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.137 -7.189 2.525 1.00 0.00 H new ATOM 945 N ARG A 61 -10.851 -10.450 0.302 1.00 0.00 N ATOM 946 CA ARG A 61 -10.030 -11.325 1.139 1.00 0.00 C ATOM 947 C ARG A 61 -8.773 -11.737 0.389 1.00 0.00 C ATOM 948 O ARG A 61 -7.666 -11.699 0.928 1.00 0.00 O ATOM 949 CB ARG A 61 -10.812 -12.590 1.487 1.00 0.00 C ATOM 950 CG ARG A 61 -12.033 -12.235 2.334 1.00 0.00 C ATOM 951 CD ARG A 61 -12.861 -13.495 2.579 1.00 0.00 C ATOM 952 NE ARG A 61 -13.411 -13.982 1.319 1.00 0.00 N ATOM 953 CZ ARG A 61 -13.891 -15.215 1.211 1.00 0.00 C ATOM 954 NH1 ARG A 61 -14.934 -15.574 1.908 1.00 0.00 N ATOM 955 NH2 ARG A 61 -13.320 -16.068 0.406 1.00 0.00 N ATOM 0 H ARG A 61 -11.829 -10.730 0.222 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.763 -10.782 2.046 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.127 -13.095 0.574 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.172 -13.285 2.031 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.718 -11.803 3.284 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.636 -11.483 1.826 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.240 -14.265 3.036 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.668 -13.279 3.279 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.427 -13.365 0.507 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.381 -14.907 2.537 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.302 -16.522 1.824 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.505 -15.787 -0.140 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.688 -17.016 0.322 1.00 0.00 H new ATOM 969 N HIS A 62 -8.960 -12.122 -0.862 1.00 0.00 N ATOM 970 CA HIS A 62 -7.856 -12.539 -1.705 1.00 0.00 C ATOM 971 C HIS A 62 -6.938 -11.361 -2.010 1.00 0.00 C ATOM 972 O HIS A 62 -5.726 -11.520 -2.117 1.00 0.00 O ATOM 973 CB HIS A 62 -8.409 -13.109 -3.009 1.00 0.00 C ATOM 974 CG HIS A 62 -9.002 -14.470 -2.763 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.216 -15.593 -2.560 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.302 -14.904 -2.685 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.042 -16.638 -2.373 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.324 -16.274 -2.440 1.00 0.00 N ATOM 0 H HIS A 62 -9.872 -12.154 -1.317 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.278 -13.300 -1.181 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.168 -12.440 -3.415 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.614 -13.178 -3.752 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.175 -14.278 -2.797 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.708 -17.649 -2.191 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.144 -16.871 -2.334 1.00 0.00 H new ATOM 986 N ASN A 63 -7.530 -10.183 -2.144 1.00 0.00 N ATOM 987 CA ASN A 63 -6.762 -8.979 -2.441 1.00 0.00 C ATOM 988 C ASN A 63 -5.755 -8.691 -1.331 1.00 0.00 C ATOM 989 O ASN A 63 -4.604 -8.347 -1.600 1.00 0.00 O ATOM 990 CB ASN A 63 -7.715 -7.784 -2.583 1.00 0.00 C ATOM 991 CG ASN A 63 -7.064 -6.672 -3.397 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.620 -6.901 -4.521 1.00 0.00 O ATOM 993 ND2 ASN A 63 -6.988 -5.470 -2.895 1.00 0.00 N ATOM 0 H ASN A 63 -8.535 -10.034 -2.053 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.220 -9.137 -3.373 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.638 -8.104 -3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.986 -7.409 -1.596 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.560 -4.718 -3.435 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.357 -5.282 -1.963 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.187 -8.852 -0.088 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.292 -8.616 1.038 1.00 0.00 C ATOM 1002 C PHE A 64 -4.220 -9.703 1.084 1.00 0.00 C ATOM 1003 O PHE A 64 -3.027 -9.405 1.090 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.083 -8.581 2.348 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.819 -7.266 2.473 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.127 -6.114 2.872 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.192 -7.195 2.199 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.805 -4.897 2.997 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.868 -5.977 2.324 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.175 -4.828 2.723 1.00 0.00 C ATOM 0 H PHE A 64 -7.133 -9.139 0.165 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.805 -7.650 0.909 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.792 -9.408 2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.408 -8.711 3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.069 -6.166 3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.728 -8.081 1.891 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.271 -4.010 3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.926 -5.923 2.112 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.698 -3.888 2.819 1.00 0.00 H new ATOM 1020 N THR A 65 -4.651 -10.960 1.099 1.00 0.00 N ATOM 1021 CA THR A 65 -3.704 -12.072 1.131 1.00 0.00 C ATOM 1022 C THR A 65 -2.747 -11.960 -0.046 1.00 0.00 C ATOM 1023 O THR A 65 -1.544 -12.175 0.093 1.00 0.00 O ATOM 1024 CB THR A 65 -4.437 -13.414 1.043 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.508 -13.431 1.975 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.459 -14.547 1.358 1.00 0.00 C ATOM 0 H THR A 65 -5.634 -11.233 1.090 1.00 0.00 H new ATOM 0 HA THR A 65 -3.155 -12.026 2.072 1.00 0.00 H new ATOM 0 HB THR A 65 -4.835 -13.549 0.037 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.292 -12.995 1.580 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.978 -15.503 1.296 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.640 -14.531 0.639 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.061 -14.415 2.364 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.297 -11.627 -1.206 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.494 -11.496 -2.414 1.00 0.00 C ATOM 1036 C LEU A 66 -1.446 -10.399 -2.253 1.00 0.00 C ATOM 1037 O LEU A 66 -0.275 -10.599 -2.579 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.425 -11.154 -3.578 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.650 -10.961 -4.888 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -2.062 -12.295 -5.359 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.624 -10.439 -5.944 1.00 0.00 C ATOM 0 H LEU A 66 -4.292 -11.443 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.973 -12.434 -2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.158 -11.951 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.979 -10.244 -3.346 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.833 -10.256 -4.732 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.515 -12.143 -6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.384 -12.683 -4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.868 -13.010 -5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.096 -10.294 -6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.428 -11.161 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.044 -9.489 -5.613 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.870 -9.239 -1.762 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.946 -8.132 -1.588 1.00 0.00 C ATOM 1055 C ALA A 67 0.169 -8.523 -0.638 1.00 0.00 C ATOM 1056 O ALA A 67 1.327 -8.137 -0.825 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.682 -6.902 -1.042 1.00 0.00 C ATOM 0 H ALA A 67 -2.832 -9.046 -1.483 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.517 -7.886 -2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.976 -6.081 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.463 -6.605 -1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.131 -7.144 -0.079 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.181 -9.297 0.380 1.00 0.00 N ATOM 1064 CA PHE A 68 0.803 -9.737 1.359 1.00 0.00 C ATOM 1065 C PHE A 68 1.568 -10.958 0.848 1.00 0.00 C ATOM 1066 O PHE A 68 2.798 -10.989 0.898 1.00 0.00 O ATOM 1067 CB PHE A 68 0.105 -10.055 2.690 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.494 -8.785 3.281 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.323 -7.681 3.569 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.874 -8.711 3.540 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.233 -6.513 4.107 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.426 -7.540 4.081 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.605 -6.441 4.363 1.00 0.00 C ATOM 0 H PHE A 68 -1.130 -9.631 0.549 1.00 0.00 H new ATOM 0 HA PHE A 68 1.522 -8.934 1.519 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.678 -10.796 2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.819 -10.490 3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.384 -7.732 3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.510 -9.556 3.322 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.401 -5.666 4.325 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.486 -7.486 4.280 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.031 -5.539 4.778 1.00 0.00 H new ATOM 1083 N SER A 69 0.846 -11.959 0.357 1.00 0.00 N ATOM 1084 CA SER A 69 1.490 -13.168 -0.154 1.00 0.00 C ATOM 1085 C SER A 69 2.365 -12.844 -1.361 1.00 0.00 C ATOM 1086 O SER A 69 3.403 -13.475 -1.575 1.00 0.00 O ATOM 1087 CB SER A 69 0.438 -14.207 -0.549 1.00 0.00 C ATOM 1088 OG SER A 69 -0.322 -13.721 -1.646 1.00 0.00 O ATOM 0 H SER A 69 -0.172 -11.961 0.301 1.00 0.00 H new ATOM 0 HA SER A 69 2.118 -13.576 0.638 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.922 -15.146 -0.816 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.217 -14.416 0.297 1.00 0.00 H new ATOM 0 HG SER A 69 -0.866 -12.960 -1.355 1.00 0.00 H new ATOM 1094 N THR A 70 1.968 -11.832 -2.128 1.00 0.00 N ATOM 1095 CA THR A 70 2.756 -11.423 -3.286 1.00 0.00 C ATOM 1096 C THR A 70 3.980 -10.633 -2.844 1.00 0.00 C ATOM 1097 O THR A 70 5.102 -10.921 -3.259 1.00 0.00 O ATOM 1098 CB THR A 70 1.919 -10.574 -4.242 1.00 0.00 C ATOM 1099 OG1 THR A 70 0.815 -11.337 -4.706 1.00 0.00 O ATOM 1100 CG2 THR A 70 2.787 -10.159 -5.430 1.00 0.00 C ATOM 0 H THR A 70 1.119 -11.288 -1.972 1.00 0.00 H new ATOM 0 HA THR A 70 3.078 -12.325 -3.806 1.00 0.00 H new ATOM 0 HB THR A 70 1.554 -9.686 -3.725 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.049 -11.200 -4.110 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.197 -9.553 -6.117 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.638 -9.579 -5.074 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.145 -11.049 -5.947 1.00 0.00 H new ATOM 1108 N ALA A 71 3.750 -9.631 -1.998 1.00 0.00 N ATOM 1109 CA ALA A 71 4.838 -8.801 -1.500 1.00 0.00 C ATOM 1110 C ALA A 71 5.786 -9.623 -0.638 1.00 0.00 C ATOM 1111 O ALA A 71 6.989 -9.356 -0.595 1.00 0.00 O ATOM 1112 CB ALA A 71 4.281 -7.628 -0.685 1.00 0.00 C ATOM 0 H ALA A 71 2.827 -9.378 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 71 5.390 -8.411 -2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.105 -7.016 -0.319 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.631 -7.022 -1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.710 -8.011 0.161 1.00 0.00 H new ATOM 1118 N GLU A 72 5.246 -10.626 0.050 1.00 0.00 N ATOM 1119 CA GLU A 72 6.068 -11.472 0.903 1.00 0.00 C ATOM 1120 C GLU A 72 6.990 -12.354 0.064 1.00 0.00 C ATOM 1121 O GLU A 72 8.190 -12.413 0.306 1.00 0.00 O ATOM 1122 CB GLU A 72 5.184 -12.345 1.798 1.00 0.00 C ATOM 1123 CG GLU A 72 6.061 -13.130 2.777 1.00 0.00 C ATOM 1124 CD GLU A 72 5.188 -13.879 3.778 1.00 0.00 C ATOM 1125 OE1 GLU A 72 4.014 -13.560 3.863 1.00 0.00 O ATOM 1126 OE2 GLU A 72 5.707 -14.758 4.447 1.00 0.00 O ATOM 0 H GLU A 72 4.255 -10.869 0.033 1.00 0.00 H new ATOM 0 HA GLU A 72 6.682 -10.826 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.477 -11.722 2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.598 -13.032 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.688 -13.835 2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.730 -12.450 3.304 1.00 0.00 H new ATOM 1133 N LYS A 73 6.443 -13.046 -0.922 1.00 0.00 N ATOM 1134 CA LYS A 73 7.267 -13.907 -1.744 1.00 0.00 C ATOM 1135 C LYS A 73 8.313 -13.083 -2.498 1.00 0.00 C ATOM 1136 O LYS A 73 9.435 -13.537 -2.714 1.00 0.00 O ATOM 1137 CB LYS A 73 6.380 -14.669 -2.734 1.00 0.00 C ATOM 1138 CG LYS A 73 7.198 -15.707 -3.513 1.00 0.00 C ATOM 1139 CD LYS A 73 7.570 -16.896 -2.609 1.00 0.00 C ATOM 1140 CE LYS A 73 8.019 -18.076 -3.472 1.00 0.00 C ATOM 1141 NZ LYS A 73 8.485 -19.187 -2.591 1.00 0.00 N ATOM 0 H LYS A 73 5.453 -13.028 -1.167 1.00 0.00 H new ATOM 0 HA LYS A 73 7.788 -14.619 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.572 -15.165 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.918 -13.968 -3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.625 -16.061 -4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.104 -15.244 -3.905 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.368 -16.609 -1.924 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.714 -17.184 -1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.195 -18.416 -4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.822 -17.767 -4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.791 -19.990 -3.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.283 -18.858 -2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.707 -19.488 -1.970 1.00 0.00 H new ATOM 1155 N LEU A 74 7.933 -11.879 -2.916 1.00 0.00 N ATOM 1156 CA LEU A 74 8.843 -11.022 -3.668 1.00 0.00 C ATOM 1157 C LEU A 74 9.902 -10.341 -2.789 1.00 0.00 C ATOM 1158 O LEU A 74 11.080 -10.320 -3.151 1.00 0.00 O ATOM 1159 CB LEU A 74 8.039 -9.951 -4.402 1.00 0.00 C ATOM 1160 CG LEU A 74 7.171 -10.599 -5.490 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.238 -9.544 -6.085 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.057 -11.191 -6.609 1.00 0.00 C ATOM 0 H LEU A 74 7.010 -11.478 -2.749 1.00 0.00 H new ATOM 0 HA LEU A 74 9.375 -11.665 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.408 -9.411 -3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.714 -9.221 -4.850 1.00 0.00 H new ATOM 0 HG LEU A 74 6.587 -11.404 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.620 -10.000 -6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.599 -9.140 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.830 -8.739 -6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.425 -11.646 -7.371 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.654 -10.397 -7.059 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.719 -11.948 -6.187 1.00 0.00 H new ATOM 1174 N ALA A 75 9.484 -9.749 -1.659 1.00 0.00 N ATOM 1175 CA ALA A 75 10.423 -9.031 -0.777 1.00 0.00 C ATOM 1176 C ALA A 75 10.392 -9.540 0.670 1.00 0.00 C ATOM 1177 O ALA A 75 11.007 -8.933 1.547 1.00 0.00 O ATOM 1178 CB ALA A 75 10.090 -7.530 -0.793 1.00 0.00 C ATOM 0 H ALA A 75 8.516 -9.751 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 75 11.427 -9.212 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.783 -6.997 -0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.181 -7.148 -1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.070 -7.380 -0.439 1.00 0.00 H new ATOM 1184 N ASP A 76 9.704 -10.647 0.935 1.00 0.00 N ATOM 1185 CA ASP A 76 9.664 -11.174 2.299 1.00 0.00 C ATOM 1186 C ASP A 76 9.365 -10.048 3.283 1.00 0.00 C ATOM 1187 O ASP A 76 9.926 -9.995 4.377 1.00 0.00 O ATOM 1188 CB ASP A 76 11.011 -11.816 2.626 1.00 0.00 C ATOM 1189 CG ASP A 76 11.188 -13.089 1.805 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.201 -13.568 1.271 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.308 -13.566 1.719 1.00 0.00 O ATOM 0 H ASP A 76 9.179 -11.185 0.246 1.00 0.00 H new ATOM 0 HA ASP A 76 8.876 -11.923 2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.819 -11.117 2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.065 -12.048 3.690 1.00 0.00 H new ATOM 1196 N CYS A 77 8.494 -9.139 2.854 1.00 0.00 N ATOM 1197 CA CYS A 77 8.116 -7.979 3.656 1.00 0.00 C ATOM 1198 C CYS A 77 7.725 -8.354 5.082 1.00 0.00 C ATOM 1199 O CYS A 77 7.987 -9.460 5.554 1.00 0.00 O ATOM 1200 CB CYS A 77 6.941 -7.259 2.985 1.00 0.00 C ATOM 1201 SG CYS A 77 7.167 -7.283 1.193 1.00 0.00 S ATOM 0 H CYS A 77 8.032 -9.185 1.946 1.00 0.00 H new ATOM 0 HA CYS A 77 8.988 -7.328 3.716 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.002 -7.745 3.251 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.879 -6.231 3.341 1.00 0.00 H new ATOM 0 HG CYS A 77 7.327 -8.509 0.792 1.00 0.00 H new ATOM 1207 N ALA A 78 7.076 -7.406 5.753 1.00 0.00 N ATOM 1208 CA ALA A 78 6.621 -7.605 7.124 1.00 0.00 C ATOM 1209 C ALA A 78 5.250 -8.276 7.140 1.00 0.00 C ATOM 1210 O ALA A 78 4.594 -8.392 6.104 1.00 0.00 O ATOM 1211 CB ALA A 78 6.546 -6.258 7.849 1.00 0.00 C ATOM 0 H ALA A 78 6.853 -6.489 5.366 1.00 0.00 H new ATOM 0 HA ALA A 78 7.334 -8.252 7.636 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.205 -6.414 8.873 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.533 -5.796 7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.846 -5.604 7.330 1.00 0.00 H new ATOM 1217 N GLN A 79 4.823 -8.718 8.323 1.00 0.00 N ATOM 1218 CA GLN A 79 3.521 -9.382 8.481 1.00 0.00 C ATOM 1219 C GLN A 79 2.746 -8.745 9.624 1.00 0.00 C ATOM 1220 O GLN A 79 2.063 -9.429 10.388 1.00 0.00 O ATOM 1221 CB GLN A 79 3.728 -10.868 8.778 1.00 0.00 C ATOM 1222 CG GLN A 79 4.374 -11.541 7.570 1.00 0.00 C ATOM 1223 CD GLN A 79 4.543 -13.034 7.835 1.00 0.00 C ATOM 1224 OE1 GLN A 79 3.602 -13.698 8.271 1.00 0.00 O ATOM 1225 NE2 GLN A 79 5.692 -13.606 7.597 1.00 0.00 N ATOM 0 H GLN A 79 5.357 -8.630 9.188 1.00 0.00 H new ATOM 0 HA GLN A 79 2.956 -9.270 7.555 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.360 -10.990 9.657 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.773 -11.341 9.004 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.757 -11.388 6.684 1.00 0.00 H new ATOM 0 HG3 GLN A 79 5.344 -11.087 7.365 1.00 0.00 H new ATOM 0 HE21 GLN A 79 6.471 -13.055 7.236 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.811 -14.604 7.772 1.00 0.00 H new ATOM 1234 N LEU A 80 2.873 -7.432 9.745 1.00 0.00 N ATOM 1235 CA LEU A 80 2.201 -6.698 10.813 1.00 0.00 C ATOM 1236 C LEU A 80 0.685 -6.687 10.617 1.00 0.00 C ATOM 1237 O LEU A 80 -0.061 -6.458 11.568 1.00 0.00 O ATOM 1238 CB LEU A 80 2.682 -5.242 10.846 1.00 0.00 C ATOM 1239 CG LEU A 80 4.194 -5.168 10.648 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.632 -3.713 10.772 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.918 -6.000 11.701 1.00 0.00 C ATOM 0 H LEU A 80 3.433 -6.852 9.120 1.00 0.00 H new ATOM 0 HA LEU A 80 2.444 -7.204 11.748 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.180 -4.670 10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.412 -4.786 11.799 1.00 0.00 H new ATOM 0 HG LEU A 80 4.443 -5.562 9.663 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.711 -3.645 10.633 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.129 -3.116 10.011 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.369 -3.337 11.761 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.994 -5.933 11.541 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.675 -5.622 12.694 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.604 -7.041 11.622 1.00 0.00 H new ATOM 1253 N LEU A 81 0.231 -6.903 9.380 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.217 -6.877 9.083 1.00 0.00 C ATOM 1255 C LEU A 81 -1.757 -8.266 8.744 1.00 0.00 C ATOM 1256 O LEU A 81 -1.094 -9.061 8.078 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.498 -5.955 7.886 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.644 -4.691 7.978 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -0.947 -3.782 6.786 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -0.949 -3.934 9.273 1.00 0.00 C ATOM 0 H LEU A 81 0.827 -7.095 8.575 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.715 -6.510 9.981 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.283 -6.480 6.955 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.554 -5.688 7.864 1.00 0.00 H new ATOM 0 HG LEU A 81 0.407 -4.979 7.971 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.338 -2.881 6.852 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.717 -4.308 5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.002 -3.508 6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.333 -3.036 9.323 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.002 -3.653 9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.730 -4.573 10.128 1.00 0.00 H new ATOM 1272 N GLU A 82 -2.980 -8.532 9.202 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.648 -9.808 8.949 1.00 0.00 C ATOM 1274 C GLU A 82 -4.877 -9.599 8.070 1.00 0.00 C ATOM 1275 O GLU A 82 -5.693 -8.714 8.323 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.064 -10.440 10.272 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.809 -10.853 11.040 1.00 0.00 C ATOM 1278 CD GLU A 82 -3.185 -11.396 12.412 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.369 -11.508 12.679 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.280 -11.692 13.177 1.00 0.00 O ATOM 0 H GLU A 82 -3.532 -7.875 9.754 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.955 -10.471 8.431 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.650 -9.733 10.860 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.698 -11.308 10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.263 -11.611 10.478 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.143 -9.997 11.150 1.00 0.00 H new ATOM 1287 N VAL A 83 -4.994 -10.423 7.034 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.112 -10.335 6.098 1.00 0.00 C ATOM 1289 C VAL A 83 -7.452 -10.266 6.825 1.00 0.00 C ATOM 1290 O VAL A 83 -8.254 -9.363 6.584 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.081 -11.582 5.201 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.352 -11.658 4.337 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.834 -11.537 4.306 1.00 0.00 C ATOM 0 H VAL A 83 -4.326 -11.163 6.820 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.010 -9.423 5.510 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.043 -12.471 5.831 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.312 -12.548 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.229 -11.709 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.417 -10.771 3.707 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.811 -12.421 3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.865 -10.643 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.940 -11.515 4.929 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.693 -11.238 7.694 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.950 -11.302 8.434 1.00 0.00 C ATOM 1305 C ASP A 84 -9.225 -9.999 9.181 1.00 0.00 C ATOM 1306 O ASP A 84 -10.341 -9.480 9.139 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.896 -12.458 9.430 1.00 0.00 C ATOM 1308 CG ASP A 84 -7.583 -12.406 10.202 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -6.552 -12.635 9.590 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -7.626 -12.136 11.390 1.00 0.00 O ATOM 0 H ASP A 84 -7.039 -11.991 7.905 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.757 -11.460 7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.738 -12.397 10.120 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.983 -13.409 8.904 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.214 -9.474 9.864 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.380 -8.235 10.610 1.00 0.00 C ATOM 1317 C ASP A 85 -8.775 -7.107 9.665 1.00 0.00 C ATOM 1318 O ASP A 85 -9.687 -6.334 9.956 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.068 -7.879 11.308 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.826 -8.819 12.483 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -7.732 -9.565 12.815 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.736 -8.781 13.030 1.00 0.00 O ATOM 0 H ASP A 85 -7.281 -9.883 9.916 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.165 -8.369 11.354 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.241 -7.948 10.601 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.102 -6.848 11.659 1.00 0.00 H new ATOM 1327 N MET A 86 -8.094 -7.024 8.526 1.00 0.00 N ATOM 1328 CA MET A 86 -8.408 -5.988 7.551 1.00 0.00 C ATOM 1329 C MET A 86 -9.830 -6.174 7.043 1.00 0.00 C ATOM 1330 O MET A 86 -10.602 -5.220 6.927 1.00 0.00 O ATOM 1331 CB MET A 86 -7.445 -6.072 6.361 1.00 0.00 C ATOM 1332 CG MET A 86 -5.996 -5.827 6.820 1.00 0.00 C ATOM 1333 SD MET A 86 -5.078 -4.990 5.505 1.00 0.00 S ATOM 1334 CE MET A 86 -5.522 -3.299 5.978 1.00 0.00 C ATOM 0 H MET A 86 -7.334 -7.650 8.259 1.00 0.00 H new ATOM 0 HA MET A 86 -8.308 -5.016 8.034 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.523 -7.053 5.891 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.723 -5.335 5.608 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.988 -5.221 7.726 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.516 -6.774 7.066 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.441 -2.645 5.110 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.546 -3.282 6.350 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.846 -2.950 6.759 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.159 -7.423 6.751 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.479 -7.774 6.260 1.00 0.00 C ATOM 1346 C VAL A 87 -12.532 -7.600 7.347 1.00 0.00 C ATOM 1347 O VAL A 87 -13.624 -7.094 7.085 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.469 -9.221 5.767 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.890 -9.653 5.390 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.555 -9.330 4.538 1.00 0.00 C ATOM 0 H VAL A 87 -9.523 -8.215 6.847 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.733 -7.107 5.436 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.098 -9.871 6.560 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.876 -10.685 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.538 -9.575 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.269 -9.006 4.599 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.545 -10.360 4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.928 -8.678 3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.543 -9.030 4.809 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.207 -8.023 8.566 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.131 -7.914 9.679 1.00 0.00 C ATOM 1362 C ARG A 88 -13.304 -6.464 10.132 1.00 0.00 C ATOM 1363 O ARG A 88 -14.427 -6.004 10.344 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.587 -8.767 10.833 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.377 -8.490 12.107 1.00 0.00 C ATOM 1366 CD ARG A 88 -13.058 -9.551 13.159 1.00 0.00 C ATOM 1367 NE ARG A 88 -11.647 -9.486 13.531 1.00 0.00 N ATOM 1368 CZ ARG A 88 -11.217 -8.650 14.473 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -11.882 -8.528 15.589 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -10.132 -7.952 14.279 1.00 0.00 N ATOM 0 H ARG A 88 -11.309 -8.444 8.803 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.113 -8.269 9.365 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.654 -9.824 10.577 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.532 -8.544 10.994 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.130 -7.500 12.490 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.445 -8.490 11.890 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.681 -9.398 14.040 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.294 -10.542 12.770 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.977 -10.094 13.059 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -12.731 -9.073 15.739 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -11.553 -7.887 16.311 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.614 -8.047 13.406 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.802 -7.311 15.001 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.193 -5.760 10.291 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.251 -4.374 10.735 1.00 0.00 C ATOM 1386 C LEU A 89 -12.956 -3.511 9.696 1.00 0.00 C ATOM 1387 O LEU A 89 -13.857 -2.738 10.022 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.831 -3.840 10.957 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.181 -4.529 12.168 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.680 -4.228 12.164 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.799 -4.016 13.484 1.00 0.00 C ATOM 0 H LEU A 89 -11.253 -6.118 10.122 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.810 -4.333 11.670 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.228 -4.012 10.066 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.862 -2.762 11.117 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.353 -5.603 12.098 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.209 -4.712 13.020 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.236 -4.606 11.243 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.525 -3.151 12.226 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.325 -4.517 14.328 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.642 -2.940 13.565 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.868 -4.228 13.491 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.499 -3.618 8.455 1.00 0.00 N ATOM 1404 CA ALA A 90 -13.056 -2.802 7.386 1.00 0.00 C ATOM 1405 C ALA A 90 -12.690 -1.353 7.681 1.00 0.00 C ATOM 1406 O ALA A 90 -13.314 -0.413 7.189 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.580 -2.973 7.319 1.00 0.00 C ATOM 0 H ALA A 90 -11.754 -4.253 8.167 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.652 -3.107 6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.980 -2.356 6.515 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.821 -4.019 7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -15.023 -2.666 8.266 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.647 -1.220 8.497 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.121 0.076 8.916 1.00 0.00 C ATOM 1415 C VAL A 91 -9.703 -0.106 9.483 1.00 0.00 C ATOM 1416 O VAL A 91 -9.546 -0.373 10.675 1.00 0.00 O ATOM 1417 CB VAL A 91 -12.021 0.692 10.006 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.331 1.928 10.609 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.372 1.112 9.402 1.00 0.00 C ATOM 0 H VAL A 91 -11.140 -2.014 8.888 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.097 0.740 8.052 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.190 -0.052 10.784 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -11.969 2.361 11.379 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.379 1.634 11.050 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.156 2.665 9.826 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.000 1.546 10.181 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.206 1.850 8.617 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.869 0.239 8.980 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.672 0.030 8.679 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.273 -0.118 9.166 1.00 0.00 C ATOM 1431 C PRO A 92 -6.856 1.069 10.034 1.00 0.00 C ATOM 1432 O PRO A 92 -7.632 2.000 10.249 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.411 -0.226 7.886 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.362 -0.150 6.718 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.718 0.332 7.244 1.00 0.00 C ATOM 0 HA PRO A 92 -7.154 -0.994 9.804 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.679 0.581 7.843 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.854 -1.163 7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.981 0.535 5.960 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.462 -1.126 6.244 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.859 1.398 7.065 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.543 -0.185 6.754 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.618 1.026 10.519 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.081 2.099 11.355 1.00 0.00 C ATOM 1445 C ASP A 93 -3.956 2.824 10.623 1.00 0.00 C ATOM 1446 O ASP A 93 -3.030 2.201 10.102 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.577 1.523 12.678 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.754 0.986 13.484 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.559 1.788 13.925 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.833 -0.220 13.648 1.00 0.00 O ATOM 0 H ASP A 93 -4.967 0.260 10.348 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.873 2.818 11.565 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.859 0.725 12.489 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.055 2.293 13.246 1.00 0.00 H new ATOM 1455 N SER A 94 -4.063 4.146 10.572 1.00 0.00 N ATOM 1456 CA SER A 94 -3.072 4.964 9.883 1.00 0.00 C ATOM 1457 C SER A 94 -1.661 4.589 10.312 1.00 0.00 C ATOM 1458 O SER A 94 -0.727 4.628 9.511 1.00 0.00 O ATOM 1459 CB SER A 94 -3.319 6.441 10.188 1.00 0.00 C ATOM 1460 OG SER A 94 -4.640 6.786 9.799 1.00 0.00 O ATOM 0 H SER A 94 -4.824 4.674 10.999 1.00 0.00 H new ATOM 0 HA SER A 94 -3.168 4.786 8.812 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.179 6.633 11.252 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.597 7.060 9.655 1.00 0.00 H new ATOM 0 HG SER A 94 -4.802 7.732 9.995 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.518 4.207 11.573 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.221 3.804 12.094 1.00 0.00 C ATOM 1468 C LYS A 95 0.172 2.445 11.549 1.00 0.00 C ATOM 1469 O LYS A 95 1.345 2.194 11.289 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.259 3.734 13.616 1.00 0.00 C ATOM 1471 CG LYS A 95 1.148 3.473 14.156 1.00 0.00 C ATOM 1472 CD LYS A 95 1.108 3.484 15.685 1.00 0.00 C ATOM 1473 CE LYS A 95 2.504 3.199 16.239 1.00 0.00 C ATOM 1474 NZ LYS A 95 3.361 4.412 16.091 1.00 0.00 N ATOM 0 H LYS A 95 -2.280 4.168 12.250 1.00 0.00 H new ATOM 0 HA LYS A 95 0.513 4.547 11.780 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.648 4.668 14.023 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.935 2.941 13.936 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.516 2.512 13.797 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.837 4.235 13.793 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.755 4.451 16.042 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.403 2.735 16.045 1.00 0.00 H new ATOM 0 HE2 LYS A 95 2.438 2.914 17.289 1.00 0.00 H new ATOM 0 HE3 LYS A 95 2.952 2.359 15.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 4.269 4.256 16.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.532 4.595 15.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.880 5.231 16.515 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.819 1.566 11.390 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.559 0.224 10.886 1.00 0.00 C ATOM 1490 C CYS A 96 -0.101 0.282 9.429 1.00 0.00 C ATOM 1491 O CYS A 96 0.824 -0.420 9.019 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.824 -0.632 10.998 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.026 -1.201 12.705 1.00 0.00 S ATOM 0 H CYS A 96 -1.798 1.760 11.601 1.00 0.00 H new ATOM 0 HA CYS A 96 0.232 -0.225 11.486 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.695 -0.053 10.692 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.757 -1.487 10.325 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.102 -1.925 12.797 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.760 1.121 8.645 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.396 1.272 7.249 1.00 0.00 C ATOM 1501 C VAL A 97 0.960 1.961 7.155 1.00 0.00 C ATOM 1502 O VAL A 97 1.823 1.560 6.385 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.439 2.119 6.521 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -0.993 2.345 5.077 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.789 1.396 6.548 1.00 0.00 C ATOM 0 H VAL A 97 -1.542 1.701 8.949 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.348 0.287 6.786 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.541 3.084 7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.736 2.949 4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.034 2.863 5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.890 1.384 4.573 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.535 1.998 6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.694 0.430 6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.100 1.245 7.582 1.00 0.00 H new ATOM 1515 N TYR A 98 1.128 3.016 7.950 1.00 0.00 N ATOM 1516 CA TYR A 98 2.370 3.785 7.953 1.00 0.00 C ATOM 1517 C TYR A 98 3.560 2.927 8.349 1.00 0.00 C ATOM 1518 O TYR A 98 4.571 2.896 7.649 1.00 0.00 O ATOM 1519 CB TYR A 98 2.233 4.938 8.950 1.00 0.00 C ATOM 1520 CG TYR A 98 3.546 5.679 9.049 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.582 5.165 9.842 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.732 6.868 8.343 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.802 5.840 9.924 1.00 0.00 C ATOM 1524 CE2 TYR A 98 4.953 7.549 8.428 1.00 0.00 C ATOM 1525 CZ TYR A 98 5.989 7.033 9.218 1.00 0.00 C ATOM 1526 OH TYR A 98 7.195 7.698 9.299 1.00 0.00 O ATOM 0 H TYR A 98 0.420 3.357 8.600 1.00 0.00 H new ATOM 0 HA TYR A 98 2.544 4.159 6.944 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.443 5.618 8.630 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.946 4.554 9.929 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.436 4.246 10.390 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.935 7.263 7.731 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.600 5.441 10.532 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.096 8.471 7.885 1.00 0.00 H new ATOM 0 HH TYR A 98 7.160 8.508 8.748 1.00 0.00 H new ATOM 1536 N THR A 99 3.445 2.251 9.484 1.00 0.00 N ATOM 1537 CA THR A 99 4.532 1.416 9.968 1.00 0.00 C ATOM 1538 C THR A 99 4.820 0.308 8.966 1.00 0.00 C ATOM 1539 O THR A 99 5.980 -0.013 8.696 1.00 0.00 O ATOM 1540 CB THR A 99 4.175 0.820 11.334 1.00 0.00 C ATOM 1541 OG1 THR A 99 5.311 0.169 11.877 1.00 0.00 O ATOM 1542 CG2 THR A 99 3.048 -0.190 11.167 1.00 0.00 C ATOM 0 H THR A 99 2.618 2.265 10.081 1.00 0.00 H new ATOM 0 HA THR A 99 5.426 2.029 10.081 1.00 0.00 H new ATOM 0 HB THR A 99 3.855 1.617 12.005 1.00 0.00 H new ATOM 0 HG1 THR A 99 5.084 -0.211 12.751 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.793 -0.615 12.138 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.173 0.307 10.747 1.00 0.00 H new ATOM 0 HG23 THR A 99 3.370 -0.986 10.496 1.00 0.00 H new ATOM 1550 N TYR A 100 3.767 -0.269 8.397 1.00 0.00 N ATOM 1551 CA TYR A 100 3.938 -1.325 7.413 1.00 0.00 C ATOM 1552 C TYR A 100 4.676 -0.789 6.189 1.00 0.00 C ATOM 1553 O TYR A 100 5.683 -1.350 5.755 1.00 0.00 O ATOM 1554 CB TYR A 100 2.562 -1.808 6.979 1.00 0.00 C ATOM 1555 CG TYR A 100 2.717 -2.964 6.033 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.841 -2.731 4.662 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.730 -4.268 6.530 1.00 0.00 C ATOM 1558 CE1 TYR A 100 2.976 -3.808 3.782 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.867 -5.346 5.652 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.990 -5.116 4.277 1.00 0.00 C ATOM 1561 OH TYR A 100 3.127 -6.178 3.411 1.00 0.00 O ATOM 0 H TYR A 100 2.797 -0.025 8.599 1.00 0.00 H new ATOM 0 HA TYR A 100 4.515 -2.139 7.852 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.979 -2.111 7.849 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.016 -0.998 6.495 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.833 -1.720 4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.634 -4.443 7.591 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.069 -3.631 2.721 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.878 -6.356 6.034 1.00 0.00 H new ATOM 0 HH TYR A 100 3.357 -6.985 3.917 1.00 0.00 H new ATOM 1571 N ILE A 101 4.165 0.319 5.657 1.00 0.00 N ATOM 1572 CA ILE A 101 4.766 0.965 4.495 1.00 0.00 C ATOM 1573 C ILE A 101 6.201 1.360 4.824 1.00 0.00 C ATOM 1574 O ILE A 101 7.090 1.288 3.977 1.00 0.00 O ATOM 1575 CB ILE A 101 3.942 2.205 4.087 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.594 1.768 3.469 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.723 3.077 3.094 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.790 0.960 2.173 1.00 0.00 C ATOM 0 H ILE A 101 3.333 0.789 6.014 1.00 0.00 H new ATOM 0 HA ILE A 101 4.771 0.270 3.656 1.00 0.00 H new ATOM 0 HB ILE A 101 3.747 2.797 4.981 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.042 1.167 4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.989 2.650 3.259 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.122 3.945 2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.653 3.410 3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.949 2.496 2.200 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.818 0.673 1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.319 1.570 1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.373 0.064 2.387 1.00 0.00 H new ATOM 1590 N GLN A 102 6.409 1.782 6.067 1.00 0.00 N ATOM 1591 CA GLN A 102 7.732 2.194 6.513 1.00 0.00 C ATOM 1592 C GLN A 102 8.749 1.089 6.253 1.00 0.00 C ATOM 1593 O GLN A 102 9.747 1.295 5.562 1.00 0.00 O ATOM 1594 CB GLN A 102 7.699 2.490 8.015 1.00 0.00 C ATOM 1595 CG GLN A 102 8.924 3.312 8.407 1.00 0.00 C ATOM 1596 CD GLN A 102 8.888 3.605 9.901 1.00 0.00 C ATOM 1597 OE1 GLN A 102 7.850 3.440 10.544 1.00 0.00 O ATOM 1598 NE2 GLN A 102 9.964 4.034 10.495 1.00 0.00 N ATOM 0 H GLN A 102 5.682 1.847 6.779 1.00 0.00 H new ATOM 0 HA GLN A 102 8.021 3.088 5.960 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.789 3.034 8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.680 1.557 8.578 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.835 2.769 8.155 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.943 4.245 7.844 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.822 4.170 9.960 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.949 4.234 11.495 1.00 0.00 H new ATOM 1607 N GLU A 103 8.490 -0.085 6.821 1.00 0.00 N ATOM 1608 CA GLU A 103 9.404 -1.208 6.646 1.00 0.00 C ATOM 1609 C GLU A 103 9.540 -1.530 5.162 1.00 0.00 C ATOM 1610 O GLU A 103 10.644 -1.715 4.646 1.00 0.00 O ATOM 1611 CB GLU A 103 8.874 -2.431 7.407 1.00 0.00 C ATOM 1612 CG GLU A 103 9.901 -3.569 7.354 1.00 0.00 C ATOM 1613 CD GLU A 103 11.104 -3.224 8.223 1.00 0.00 C ATOM 1614 OE1 GLU A 103 11.017 -2.258 8.963 1.00 0.00 O ATOM 1615 OE2 GLU A 103 12.098 -3.927 8.132 1.00 0.00 O ATOM 0 H GLU A 103 7.671 -0.282 7.396 1.00 0.00 H new ATOM 0 HA GLU A 103 10.384 -0.944 7.043 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.669 -2.163 8.444 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.931 -2.761 6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.446 -4.497 7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.220 -3.734 6.325 1.00 0.00 H new ATOM 1622 N LEU A 104 8.401 -1.594 4.483 1.00 0.00 N ATOM 1623 CA LEU A 104 8.371 -1.899 3.060 1.00 0.00 C ATOM 1624 C LEU A 104 9.126 -0.847 2.271 1.00 0.00 C ATOM 1625 O LEU A 104 9.902 -1.166 1.372 1.00 0.00 O ATOM 1626 CB LEU A 104 6.916 -1.899 2.604 1.00 0.00 C ATOM 1627 CG LEU A 104 6.794 -2.339 1.140 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.184 -3.821 0.991 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.343 -2.134 0.690 1.00 0.00 C ATOM 0 H LEU A 104 7.483 -1.438 4.898 1.00 0.00 H new ATOM 0 HA LEU A 104 8.839 -2.869 2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.334 -2.568 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.495 -0.901 2.723 1.00 0.00 H new ATOM 0 HG LEU A 104 7.467 -1.745 0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.092 -4.118 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.214 -3.961 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.522 -4.435 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.238 -2.442 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.680 -2.733 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.078 -1.081 0.785 1.00 0.00 H new ATOM 1641 N TYR A 105 8.893 0.407 2.616 1.00 0.00 N ATOM 1642 CA TYR A 105 9.545 1.509 1.935 1.00 0.00 C ATOM 1643 C TYR A 105 11.039 1.306 1.950 1.00 0.00 C ATOM 1644 O TYR A 105 11.713 1.442 0.929 1.00 0.00 O ATOM 1645 CB TYR A 105 9.220 2.807 2.674 1.00 0.00 C ATOM 1646 CG TYR A 105 9.944 3.969 2.034 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.407 4.582 0.897 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.147 4.437 2.581 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.070 5.665 0.307 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.811 5.519 1.988 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.271 6.134 0.850 1.00 0.00 C ATOM 1652 OH TYR A 105 11.922 7.200 0.266 1.00 0.00 O ATOM 0 H TYR A 105 8.257 0.686 3.363 1.00 0.00 H new ATOM 0 HA TYR A 105 9.193 1.558 0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.145 2.985 2.656 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.511 2.720 3.721 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.481 4.220 0.474 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.562 3.964 3.459 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.653 6.139 -0.569 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.739 5.879 2.408 1.00 0.00 H new ATOM 0 HH TYR A 105 12.740 7.399 0.768 1.00 0.00 H new ATOM 1662 N ARG A 106 11.549 1.006 3.124 1.00 0.00 N ATOM 1663 CA ARG A 106 12.968 0.815 3.293 1.00 0.00 C ATOM 1664 C ARG A 106 13.475 -0.310 2.395 1.00 0.00 C ATOM 1665 O ARG A 106 14.518 -0.171 1.759 1.00 0.00 O ATOM 1666 CB ARG A 106 13.269 0.513 4.764 1.00 0.00 C ATOM 1667 CG ARG A 106 14.698 0.931 5.076 1.00 0.00 C ATOM 1668 CD ARG A 106 15.090 0.426 6.464 1.00 0.00 C ATOM 1669 NE ARG A 106 14.165 0.941 7.467 1.00 0.00 N ATOM 1670 CZ ARG A 106 14.228 2.205 7.874 1.00 0.00 C ATOM 1671 NH1 ARG A 106 15.219 2.600 8.627 1.00 0.00 N ATOM 1672 NH2 ARG A 106 13.299 3.052 7.522 1.00 0.00 N ATOM 0 H ARG A 106 10.999 0.889 3.975 1.00 0.00 H new ATOM 0 HA ARG A 106 13.487 1.729 3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.572 1.049 5.408 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.136 -0.550 4.964 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.378 0.527 4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 106 14.787 2.017 5.035 1.00 0.00 H new ATOM 0 HD2 ARG A 106 15.083 -0.664 6.478 1.00 0.00 H new ATOM 0 HD3 ARG A 106 16.106 0.741 6.700 1.00 0.00 H new ATOM 0 HE ARG A 106 13.458 0.321 7.863 1.00 0.00 H new ATOM 0 HH11 ARG A 106 15.945 1.939 8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.267 3.570 8.939 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.524 2.744 6.934 1.00 0.00 H new ATOM 0 HH22 ARG A 106 13.348 4.022 7.835 1.00 0.00 H new ATOM 1686 N SER A 107 12.736 -1.416 2.336 1.00 0.00 N ATOM 1687 CA SER A 107 13.147 -2.538 1.493 1.00 0.00 C ATOM 1688 C SER A 107 13.298 -2.074 0.046 1.00 0.00 C ATOM 1689 O SER A 107 14.199 -2.513 -0.670 1.00 0.00 O ATOM 1690 CB SER A 107 12.117 -3.671 1.568 1.00 0.00 C ATOM 1691 OG SER A 107 12.117 -4.222 2.877 1.00 0.00 O ATOM 0 H SER A 107 11.867 -1.559 2.850 1.00 0.00 H new ATOM 0 HA SER A 107 14.105 -2.911 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.125 -3.293 1.321 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.355 -4.443 0.836 1.00 0.00 H new ATOM 0 HG SER A 107 11.458 -4.945 2.927 1.00 0.00 H new ATOM 1697 N LEU A 108 12.406 -1.183 -0.379 1.00 0.00 N ATOM 1698 CA LEU A 108 12.449 -0.657 -1.735 1.00 0.00 C ATOM 1699 C LEU A 108 13.679 0.227 -1.936 1.00 0.00 C ATOM 1700 O LEU A 108 14.301 0.208 -2.997 1.00 0.00 O ATOM 1701 CB LEU A 108 11.206 0.186 -2.021 1.00 0.00 C ATOM 1702 CG LEU A 108 9.930 -0.655 -1.903 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.713 0.256 -2.086 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.907 -1.749 -2.977 1.00 0.00 C ATOM 0 H LEU A 108 11.649 -0.813 0.195 1.00 0.00 H new ATOM 0 HA LEU A 108 12.491 -1.508 -2.414 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.161 1.021 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.274 0.611 -3.022 1.00 0.00 H new ATOM 0 HG LEU A 108 9.905 -1.126 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.801 -0.335 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.717 1.027 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.754 0.725 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.994 -2.336 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.938 -1.290 -3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.772 -2.400 -2.852 1.00 0.00 H new ATOM 1716 N VAL A 109 14.001 1.033 -0.920 1.00 0.00 N ATOM 1717 CA VAL A 109 15.129 1.949 -1.008 1.00 0.00 C ATOM 1718 C VAL A 109 16.437 1.189 -1.192 1.00 0.00 C ATOM 1719 O VAL A 109 17.229 1.514 -2.076 1.00 0.00 O ATOM 1720 CB VAL A 109 15.187 2.807 0.261 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.487 3.608 0.289 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.002 3.775 0.268 1.00 0.00 C ATOM 0 H VAL A 109 13.496 1.066 -0.034 1.00 0.00 H new ATOM 0 HA VAL A 109 14.992 2.592 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 109 15.145 2.158 1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.521 4.215 1.194 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.336 2.924 0.279 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.533 4.257 -0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.038 4.388 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.052 4.418 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.070 3.210 0.251 1.00 0.00 H new ATOM 1732 N GLN A 110 16.658 0.172 -0.370 1.00 0.00 N ATOM 1733 CA GLN A 110 17.879 -0.613 -0.486 1.00 0.00 C ATOM 1734 C GLN A 110 17.898 -1.329 -1.829 1.00 0.00 C ATOM 1735 O GLN A 110 18.918 -1.357 -2.517 1.00 0.00 O ATOM 1736 CB GLN A 110 17.974 -1.630 0.657 1.00 0.00 C ATOM 1737 CG GLN A 110 16.692 -2.456 0.718 1.00 0.00 C ATOM 1738 CD GLN A 110 16.700 -3.348 1.954 1.00 0.00 C ATOM 1739 OE1 GLN A 110 16.959 -4.546 1.848 1.00 0.00 O ATOM 1740 NE2 GLN A 110 16.426 -2.834 3.121 1.00 0.00 N ATOM 0 H GLN A 110 16.022 -0.125 0.370 1.00 0.00 H new ATOM 0 HA GLN A 110 18.738 0.055 -0.422 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.833 -2.284 0.504 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.131 -1.114 1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.826 -1.795 0.743 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.601 -3.067 -0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.212 -1.840 3.203 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.426 -3.426 3.952 1.00 0.00 H new ATOM 1749 N LYS A 111 16.759 -1.897 -2.204 1.00 0.00 N ATOM 1750 CA LYS A 111 16.644 -2.601 -3.469 1.00 0.00 C ATOM 1751 C LYS A 111 16.945 -1.654 -4.630 1.00 0.00 C ATOM 1752 O LYS A 111 17.372 -2.087 -5.702 1.00 0.00 O ATOM 1753 CB LYS A 111 15.222 -3.170 -3.610 1.00 0.00 C ATOM 1754 CG LYS A 111 15.062 -4.458 -2.780 1.00 0.00 C ATOM 1755 CD LYS A 111 15.585 -5.670 -3.566 1.00 0.00 C ATOM 1756 CE LYS A 111 15.384 -6.943 -2.744 1.00 0.00 C ATOM 1757 NZ LYS A 111 15.918 -8.106 -3.506 1.00 0.00 N ATOM 0 H LYS A 111 15.904 -1.883 -1.649 1.00 0.00 H new ATOM 0 HA LYS A 111 17.365 -3.418 -3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.494 -2.428 -3.281 1.00 0.00 H new ATOM 0 HB3 LYS A 111 15.012 -3.380 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.607 -4.363 -1.841 1.00 0.00 H new ATOM 0 HG3 LYS A 111 14.012 -4.607 -2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 111 15.059 -5.753 -4.517 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.642 -5.538 -3.796 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.895 -6.856 -1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.325 -7.088 -2.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.784 -8.976 -2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.411 -8.191 -4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 16.932 -7.965 -3.689 1.00 0.00 H new ATOM 1771 N GLY A 112 16.703 -0.362 -4.419 1.00 0.00 N ATOM 1772 CA GLY A 112 16.935 0.630 -5.466 1.00 0.00 C ATOM 1773 C GLY A 112 15.698 0.730 -6.344 1.00 0.00 C ATOM 1774 O GLY A 112 15.744 1.252 -7.459 1.00 0.00 O ATOM 0 H GLY A 112 16.350 0.020 -3.542 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.159 1.600 -5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.800 0.347 -6.066 1.00 0.00 H new ATOM 1778 N LEU A 113 14.591 0.228 -5.811 1.00 0.00 N ATOM 1779 CA LEU A 113 13.315 0.255 -6.513 1.00 0.00 C ATOM 1780 C LEU A 113 12.708 1.660 -6.496 1.00 0.00 C ATOM 1781 O LEU A 113 12.224 2.151 -7.514 1.00 0.00 O ATOM 1782 CB LEU A 113 12.360 -0.740 -5.838 1.00 0.00 C ATOM 1783 CG LEU A 113 12.693 -2.175 -6.282 1.00 0.00 C ATOM 1784 CD1 LEU A 113 12.045 -3.171 -5.315 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.169 -2.437 -7.710 1.00 0.00 C ATOM 0 H LEU A 113 14.552 -0.205 -4.888 1.00 0.00 H new ATOM 0 HA LEU A 113 13.474 -0.026 -7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.443 -0.658 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.329 -0.500 -6.098 1.00 0.00 H new ATOM 0 HG LEU A 113 13.776 -2.300 -6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.280 -4.188 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.429 -3.004 -4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.964 -3.031 -5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.414 -3.457 -8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.087 -2.303 -7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.635 -1.736 -8.403 1.00 0.00 H new ATOM 1797 N VAL A 114 12.731 2.287 -5.323 1.00 0.00 N ATOM 1798 CA VAL A 114 12.174 3.632 -5.159 1.00 0.00 C ATOM 1799 C VAL A 114 12.968 4.667 -5.957 1.00 0.00 C ATOM 1800 O VAL A 114 12.395 5.585 -6.541 1.00 0.00 O ATOM 1801 CB VAL A 114 12.108 3.991 -3.649 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.238 5.508 -3.435 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.763 3.514 -3.048 1.00 0.00 C ATOM 0 H VAL A 114 13.128 1.889 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 114 11.160 3.644 -5.559 1.00 0.00 H new ATOM 0 HB VAL A 114 12.938 3.490 -3.151 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.188 5.731 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.193 5.851 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.425 6.019 -3.951 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.726 3.770 -1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.939 4.002 -3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.676 2.434 -3.163 1.00 0.00 H new ATOM 1813 N LYS A 115 14.279 4.513 -5.976 1.00 0.00 N ATOM 1814 CA LYS A 115 15.138 5.445 -6.711 1.00 0.00 C ATOM 1815 C LYS A 115 15.223 5.047 -8.187 1.00 0.00 C ATOM 1816 O LYS A 115 16.280 4.648 -8.673 1.00 0.00 O ATOM 1817 CB LYS A 115 16.542 5.459 -6.089 1.00 0.00 C ATOM 1818 CG LYS A 115 16.488 6.128 -4.710 1.00 0.00 C ATOM 1819 CD LYS A 115 17.887 6.142 -4.089 1.00 0.00 C ATOM 1820 CE LYS A 115 17.854 6.897 -2.758 1.00 0.00 C ATOM 1821 NZ LYS A 115 17.003 6.158 -1.782 1.00 0.00 N ATOM 0 H LYS A 115 14.776 3.761 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 115 14.706 6.444 -6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.919 4.441 -5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.233 5.997 -6.738 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.111 7.146 -4.804 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.797 5.590 -4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 115 18.235 5.121 -3.930 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.593 6.617 -4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 115 18.865 7.005 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 115 17.462 7.903 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.152 6.717 -1.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.724 5.242 -2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.539 5.999 -0.905 1.00 0.00 H new ATOM 1835 N THR A 116 14.093 5.153 -8.896 1.00 0.00 N ATOM 1836 CA THR A 116 14.051 4.790 -10.313 1.00 0.00 C ATOM 1837 C THR A 116 14.891 5.738 -11.161 1.00 0.00 C ATOM 1838 O THR A 116 15.792 5.317 -11.887 1.00 0.00 O ATOM 1839 CB THR A 116 12.600 4.824 -10.800 1.00 0.00 C ATOM 1840 OG1 THR A 116 11.782 4.090 -9.900 1.00 0.00 O ATOM 1841 CG2 THR A 116 12.511 4.205 -12.191 1.00 0.00 C ATOM 0 H THR A 116 13.206 5.483 -8.515 1.00 0.00 H new ATOM 0 HA THR A 116 14.465 3.787 -10.419 1.00 0.00 H new ATOM 0 HB THR A 116 12.257 5.858 -10.843 1.00 0.00 H new ATOM 0 HG1 THR A 116 10.853 4.112 -10.210 1.00 0.00 H new ATOM 0 HG21 THR A 116 11.477 4.231 -12.535 1.00 0.00 H new ATOM 0 HG22 THR A 116 13.137 4.770 -12.881 1.00 0.00 H new ATOM 0 HG23 THR A 116 12.855 3.171 -12.152 1.00 0.00 H new ATOM 1849 N LYS A 117 14.575 7.014 -11.061 1.00 0.00 N ATOM 1850 CA LYS A 117 15.286 8.032 -11.820 1.00 0.00 C ATOM 1851 C LYS A 117 16.743 8.097 -11.394 1.00 0.00 C ATOM 1852 O LYS A 117 17.052 8.216 -10.209 1.00 0.00 O ATOM 1853 CB LYS A 117 14.642 9.404 -11.611 1.00 0.00 C ATOM 1854 CG LYS A 117 13.291 9.466 -12.327 1.00 0.00 C ATOM 1855 CD LYS A 117 12.675 10.853 -12.128 1.00 0.00 C ATOM 1856 CE LYS A 117 11.326 10.924 -12.845 1.00 0.00 C ATOM 1857 NZ LYS A 117 10.737 12.281 -12.668 1.00 0.00 N ATOM 0 H LYS A 117 13.831 7.374 -10.463 1.00 0.00 H new ATOM 0 HA LYS A 117 15.230 7.762 -12.875 1.00 0.00 H new ATOM 0 HB2 LYS A 117 14.507 9.592 -10.546 1.00 0.00 H new ATOM 0 HB3 LYS A 117 15.300 10.185 -11.992 1.00 0.00 H new ATOM 0 HG2 LYS A 117 13.420 9.262 -13.390 1.00 0.00 H new ATOM 0 HG3 LYS A 117 12.623 8.699 -11.934 1.00 0.00 H new ATOM 0 HD2 LYS A 117 12.544 11.054 -11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 117 13.346 11.619 -12.517 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.455 10.708 -13.906 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.650 10.168 -12.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 9.820 12.328 -13.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 10.600 12.471 -11.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 11.379 12.993 -13.070 1.00 0.00 H new ATOM 1871 N LYS A 118 17.631 8.015 -12.374 1.00 0.00 N ATOM 1872 CA LYS A 118 19.064 8.063 -12.107 1.00 0.00 C ATOM 1873 C LYS A 118 19.380 9.164 -11.100 1.00 0.00 C ATOM 1874 O LYS A 118 18.716 10.200 -11.073 1.00 0.00 O ATOM 1875 CB LYS A 118 19.830 8.317 -13.416 1.00 0.00 C ATOM 1876 CG LYS A 118 21.358 8.225 -13.179 1.00 0.00 C ATOM 1877 CD LYS A 118 22.072 7.743 -14.461 1.00 0.00 C ATOM 1878 CE LYS A 118 22.057 6.209 -14.518 1.00 0.00 C ATOM 1879 NZ LYS A 118 22.808 5.741 -15.716 1.00 0.00 N ATOM 0 H LYS A 118 17.387 7.915 -13.359 1.00 0.00 H new ATOM 0 HA LYS A 118 19.375 7.106 -11.688 1.00 0.00 H new ATOM 0 HB2 LYS A 118 19.528 7.588 -14.168 1.00 0.00 H new ATOM 0 HB3 LYS A 118 19.576 9.302 -13.807 1.00 0.00 H new ATOM 0 HG2 LYS A 118 21.746 9.200 -12.883 1.00 0.00 H new ATOM 0 HG3 LYS A 118 21.565 7.537 -12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 118 21.577 8.154 -15.341 1.00 0.00 H new ATOM 0 HD3 LYS A 118 23.099 8.107 -14.475 1.00 0.00 H new ATOM 0 HE2 LYS A 118 22.505 5.798 -13.613 1.00 0.00 H new ATOM 0 HE3 LYS A 118 21.029 5.847 -14.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 22.795 4.702 -15.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 22.362 6.121 -16.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 23.792 6.073 -15.660 1.00 0.00 H new ATOM 1893 N LYS A 119 20.382 8.925 -10.262 1.00 0.00 N ATOM 1894 CA LYS A 119 20.757 9.904 -9.255 1.00 0.00 C ATOM 1895 C LYS A 119 22.137 9.585 -8.688 1.00 0.00 C ATOM 1896 O LYS A 119 23.053 10.347 -8.949 1.00 0.00 O ATOM 1897 CB LYS A 119 19.712 9.906 -8.135 1.00 0.00 C ATOM 1898 CG LYS A 119 20.064 10.931 -7.047 1.00 0.00 C ATOM 1899 CD LYS A 119 20.041 12.354 -7.626 1.00 0.00 C ATOM 1900 CE LYS A 119 19.942 13.374 -6.490 1.00 0.00 C ATOM 1901 NZ LYS A 119 21.094 13.194 -5.565 1.00 0.00 N ATOM 1902 OXT LYS A 119 22.256 8.587 -7.998 1.00 0.00 O ATOM 0 H LYS A 119 20.942 8.072 -10.261 1.00 0.00 H new ATOM 0 HA LYS A 119 20.797 10.892 -9.715 1.00 0.00 H new ATOM 0 HB2 LYS A 119 18.731 10.136 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 119 19.647 8.912 -7.694 1.00 0.00 H new ATOM 0 HG2 LYS A 119 19.354 10.855 -6.223 1.00 0.00 H new ATOM 0 HG3 LYS A 119 21.051 10.713 -6.639 1.00 0.00 H new ATOM 0 HD2 LYS A 119 20.943 12.533 -8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 119 19.195 12.467 -8.304 1.00 0.00 H new ATOM 0 HE2 LYS A 119 19.940 14.386 -6.894 1.00 0.00 H new ATOM 0 HE3 LYS A 119 19.004 13.244 -5.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 21.176 14.026 -4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 20.943 12.345 -4.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 21.969 13.085 -6.117 1.00 0.00 H new TER 1916 LYS A 119