USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 745 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 7 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 10 ASN : amide:sc= 0.238 K(o=0.24,f=-11!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -76:sc= 1.22 USER MOD Single : A 20 SER OG : rot -65:sc= 1.17 USER MOD Single : A 24 MET CE :methyl -172:sc= 0 (180deg=-0.0847) USER MOD Single : A 43 TYR OH : rot 172:sc= 1.29 USER MOD Single : A 48 THR OG1 : rot -55:sc= 1.23 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 1.29 K(o=1.3,f=-3.8!) USER MOD Single : A 65 THR OG1 : rot -31:sc= 1.16 USER MOD Single : A 66 ASN : amide:sc= 0.87 K(o=0.87,f=-0.12) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.395 X(o=0.4,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 67:sc= 0.925 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 136:sc= 1.29 USER MOD Single : A 80 LYS NZ :NH3+ -159:sc= 1.23 (180deg=1.14) USER MOD Single : A 91 TYR OH : rot -172:sc= 1.26 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 92:sc= 1.35 USER MOD Single : A 103 HIS : no HD1:sc=-0.00455 X(o=-0.0045,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.254) USER MOD Single : A 107 GLN : amide:sc= 0.938 K(o=0.94,f=0) USER MOD ----------------------------------------------------------------- ATOM 14 N ASP A 2 -1.461 -1.279 11.723 1.00 0.00 N ATOM 15 CA ASP A 2 -0.762 -2.346 10.987 1.00 0.00 C ATOM 16 C ASP A 2 -0.002 -1.865 9.724 1.00 0.00 C ATOM 17 O ASP A 2 0.891 -2.570 9.239 1.00 0.00 O ATOM 18 CB ASP A 2 -1.780 -3.438 10.624 1.00 0.00 C ATOM 19 CG ASP A 2 -2.306 -4.162 11.869 1.00 0.00 C ATOM 20 OD1 ASP A 2 -1.516 -4.865 12.550 1.00 0.00 O ATOM 21 OD2 ASP A 2 -3.512 -4.015 12.178 1.00 0.00 O ATOM 0 HA ASP A 2 0.013 -2.734 11.647 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -2.615 -2.992 10.083 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.315 -4.160 9.953 1.00 0.00 H new ATOM 26 N VAL A 3 -0.325 -0.675 9.200 1.00 0.00 N ATOM 27 CA VAL A 3 0.380 -0.049 8.063 1.00 0.00 C ATOM 28 C VAL A 3 1.806 0.362 8.458 1.00 0.00 C ATOM 29 O VAL A 3 2.005 1.094 9.431 1.00 0.00 O ATOM 30 CB VAL A 3 -0.382 1.187 7.529 1.00 0.00 C ATOM 31 CG1 VAL A 3 0.318 1.829 6.319 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.806 0.845 7.074 1.00 0.00 C ATOM 0 H VAL A 3 -1.094 -0.108 9.556 1.00 0.00 H new ATOM 0 HA VAL A 3 0.428 -0.796 7.271 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.404 1.878 8.372 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.256 2.692 5.982 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.320 2.149 6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.387 1.101 5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.297 1.747 6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.765 0.105 6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.369 0.440 7.915 1.00 0.00 H new ATOM 42 N LEU A 4 2.804 -0.071 7.682 1.00 0.00 N ATOM 43 CA LEU A 4 4.204 0.356 7.786 1.00 0.00 C ATOM 44 C LEU A 4 4.380 1.794 7.265 1.00 0.00 C ATOM 45 O LEU A 4 4.119 2.081 6.096 1.00 0.00 O ATOM 46 CB LEU A 4 5.085 -0.614 6.981 1.00 0.00 C ATOM 47 CG LEU A 4 5.079 -2.079 7.452 1.00 0.00 C ATOM 48 CD1 LEU A 4 5.841 -2.941 6.442 1.00 0.00 C ATOM 49 CD2 LEU A 4 5.741 -2.240 8.817 1.00 0.00 C ATOM 0 H LEU A 4 2.655 -0.752 6.938 1.00 0.00 H new ATOM 0 HA LEU A 4 4.504 0.342 8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.764 -0.586 5.940 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.112 -0.249 7.008 1.00 0.00 H new ATOM 0 HG LEU A 4 4.039 -2.394 7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.838 -3.979 6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.359 -2.870 5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.869 -2.588 6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.716 -3.289 9.112 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.776 -1.904 8.761 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.205 -1.642 9.554 1.00 0.00 H new ATOM 61 N GLU A 5 4.847 2.709 8.109 1.00 0.00 N ATOM 62 CA GLU A 5 5.052 4.121 7.746 1.00 0.00 C ATOM 63 C GLU A 5 6.470 4.351 7.198 1.00 0.00 C ATOM 64 O GLU A 5 7.336 4.952 7.841 1.00 0.00 O ATOM 65 CB GLU A 5 4.702 5.052 8.926 1.00 0.00 C ATOM 66 CG GLU A 5 3.271 4.837 9.443 1.00 0.00 C ATOM 67 CD GLU A 5 2.866 5.925 10.455 1.00 0.00 C ATOM 68 OE1 GLU A 5 3.358 5.897 11.613 1.00 0.00 O ATOM 69 OE2 GLU A 5 2.039 6.806 10.106 1.00 0.00 O ATOM 0 H GLU A 5 5.098 2.497 9.075 1.00 0.00 H new ATOM 0 HA GLU A 5 4.366 4.375 6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.408 4.883 9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.819 6.089 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.575 4.842 8.604 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.196 3.856 9.913 1.00 0.00 H new ATOM 76 N LEU A 6 6.729 3.780 6.019 1.00 0.00 N ATOM 77 CA LEU A 6 8.042 3.788 5.369 1.00 0.00 C ATOM 78 C LEU A 6 8.505 5.194 4.947 1.00 0.00 C ATOM 79 O LEU A 6 7.706 6.061 4.579 1.00 0.00 O ATOM 80 CB LEU A 6 8.036 2.829 4.167 1.00 0.00 C ATOM 81 CG LEU A 6 7.691 1.367 4.497 1.00 0.00 C ATOM 82 CD1 LEU A 6 7.774 0.512 3.235 1.00 0.00 C ATOM 83 CD2 LEU A 6 8.631 0.762 5.537 1.00 0.00 C ATOM 0 H LEU A 6 6.017 3.289 5.478 1.00 0.00 H new ATOM 0 HA LEU A 6 8.766 3.445 6.108 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.320 3.197 3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.019 2.856 3.696 1.00 0.00 H new ATOM 0 HG LEU A 6 6.680 1.373 4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.528 -0.522 3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.068 0.888 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.785 0.558 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.342 -0.271 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.654 0.787 5.161 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.569 1.337 6.461 1.00 0.00 H new ATOM 95 N THR A 7 9.827 5.399 4.962 1.00 0.00 N ATOM 96 CA THR A 7 10.501 6.656 4.584 1.00 0.00 C ATOM 97 C THR A 7 11.857 6.388 3.925 1.00 0.00 C ATOM 98 O THR A 7 12.398 5.288 4.014 1.00 0.00 O ATOM 99 CB THR A 7 10.754 7.563 5.808 1.00 0.00 C ATOM 100 OG1 THR A 7 11.620 6.928 6.733 1.00 0.00 O ATOM 101 CG2 THR A 7 9.485 7.976 6.557 1.00 0.00 C ATOM 0 H THR A 7 10.484 4.672 5.247 1.00 0.00 H new ATOM 0 HA THR A 7 9.830 7.154 3.884 1.00 0.00 H new ATOM 0 HB THR A 7 11.205 8.466 5.396 1.00 0.00 H new ATOM 0 HG1 THR A 7 11.769 7.519 7.500 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.752 8.611 7.402 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.827 8.525 5.883 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.971 7.086 6.920 1.00 0.00 H new ATOM 109 N ASP A 8 12.464 7.412 3.322 1.00 0.00 N ATOM 110 CA ASP A 8 13.834 7.378 2.791 1.00 0.00 C ATOM 111 C ASP A 8 14.897 6.867 3.799 1.00 0.00 C ATOM 112 O ASP A 8 15.920 6.309 3.397 1.00 0.00 O ATOM 113 CB ASP A 8 14.162 8.797 2.300 1.00 0.00 C ATOM 114 CG ASP A 8 15.566 8.910 1.681 1.00 0.00 C ATOM 115 OD1 ASP A 8 15.758 8.438 0.534 1.00 0.00 O ATOM 116 OD2 ASP A 8 16.460 9.518 2.321 1.00 0.00 O ATOM 0 H ASP A 8 12.007 8.313 3.184 1.00 0.00 H new ATOM 0 HA ASP A 8 13.874 6.653 1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.420 9.100 1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.083 9.492 3.136 1.00 0.00 H new ATOM 121 N ASP A 9 14.649 7.007 5.107 1.00 0.00 N ATOM 122 CA ASP A 9 15.527 6.539 6.188 1.00 0.00 C ATOM 123 C ASP A 9 15.472 5.013 6.447 1.00 0.00 C ATOM 124 O ASP A 9 16.440 4.448 6.961 1.00 0.00 O ATOM 125 CB ASP A 9 15.142 7.290 7.469 1.00 0.00 C ATOM 126 CG ASP A 9 16.171 7.097 8.594 1.00 0.00 C ATOM 127 OD1 ASP A 9 17.304 7.624 8.471 1.00 0.00 O ATOM 128 OD2 ASP A 9 15.850 6.448 9.620 1.00 0.00 O ATOM 0 H ASP A 9 13.805 7.463 5.454 1.00 0.00 H new ATOM 0 HA ASP A 9 16.552 6.744 5.879 1.00 0.00 H new ATOM 0 HB2 ASP A 9 15.044 8.353 7.248 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.166 6.944 7.810 1.00 0.00 H new ATOM 133 N ASN A 10 14.360 4.345 6.095 1.00 0.00 N ATOM 134 CA ASN A 10 14.099 2.942 6.468 1.00 0.00 C ATOM 135 C ASN A 10 13.595 2.008 5.343 1.00 0.00 C ATOM 136 O ASN A 10 13.667 0.783 5.491 1.00 0.00 O ATOM 137 CB ASN A 10 13.161 2.921 7.695 1.00 0.00 C ATOM 138 CG ASN A 10 11.729 3.400 7.438 1.00 0.00 C ATOM 139 OD1 ASN A 10 11.181 3.292 6.354 1.00 0.00 O ATOM 140 ND2 ASN A 10 11.066 3.958 8.425 1.00 0.00 N ATOM 0 H ASN A 10 13.613 4.764 5.541 1.00 0.00 H new ATOM 0 HA ASN A 10 15.072 2.513 6.707 1.00 0.00 H new ATOM 0 HB2 ASN A 10 13.121 1.903 8.083 1.00 0.00 H new ATOM 0 HB3 ASN A 10 13.599 3.543 8.476 1.00 0.00 H new ATOM 0 HD21 ASN A 10 10.113 4.290 8.276 1.00 0.00 H new ATOM 0 HD22 ASN A 10 11.504 4.059 9.341 1.00 0.00 H new ATOM 147 N PHE A 11 13.104 2.551 4.224 1.00 0.00 N ATOM 148 CA PHE A 11 12.475 1.787 3.142 1.00 0.00 C ATOM 149 C PHE A 11 13.397 0.702 2.569 1.00 0.00 C ATOM 150 O PHE A 11 12.967 -0.425 2.348 1.00 0.00 O ATOM 151 CB PHE A 11 12.029 2.781 2.054 1.00 0.00 C ATOM 152 CG PHE A 11 11.414 2.162 0.812 1.00 0.00 C ATOM 153 CD1 PHE A 11 12.243 1.702 -0.232 1.00 0.00 C ATOM 154 CD2 PHE A 11 10.016 2.078 0.672 1.00 0.00 C ATOM 155 CE1 PHE A 11 11.675 1.139 -1.387 1.00 0.00 C ATOM 156 CE2 PHE A 11 9.449 1.518 -0.487 1.00 0.00 C ATOM 157 CZ PHE A 11 10.280 1.047 -1.517 1.00 0.00 C ATOM 0 H PHE A 11 13.133 3.554 4.042 1.00 0.00 H new ATOM 0 HA PHE A 11 11.613 1.252 3.540 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.306 3.470 2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.893 3.374 1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.316 1.783 -0.143 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.375 2.446 1.459 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.314 0.775 -2.178 1.00 0.00 H new ATOM 0 HE2 PHE A 11 8.376 1.450 -0.585 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.847 0.615 -2.407 1.00 0.00 H new ATOM 167 N GLU A 12 14.685 1.016 2.402 1.00 0.00 N ATOM 168 CA GLU A 12 15.682 0.208 1.671 1.00 0.00 C ATOM 169 C GLU A 12 16.085 -1.144 2.295 1.00 0.00 C ATOM 170 O GLU A 12 16.935 -1.860 1.757 1.00 0.00 O ATOM 171 CB GLU A 12 16.946 1.061 1.451 1.00 0.00 C ATOM 172 CG GLU A 12 16.708 2.281 0.547 1.00 0.00 C ATOM 173 CD GLU A 12 18.043 2.975 0.208 1.00 0.00 C ATOM 174 OE1 GLU A 12 18.597 3.697 1.075 1.00 0.00 O ATOM 175 OE2 GLU A 12 18.554 2.801 -0.925 1.00 0.00 O ATOM 0 H GLU A 12 15.084 1.873 2.785 1.00 0.00 H new ATOM 0 HA GLU A 12 15.183 -0.067 0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 12 17.319 1.401 2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 12 17.724 0.438 1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.211 1.968 -0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 12 16.042 2.985 1.046 1.00 0.00 H new ATOM 182 N SER A 13 15.502 -1.521 3.431 1.00 0.00 N ATOM 183 CA SER A 13 15.632 -2.873 4.014 1.00 0.00 C ATOM 184 C SER A 13 14.317 -3.453 4.559 1.00 0.00 C ATOM 185 O SER A 13 14.244 -4.651 4.831 1.00 0.00 O ATOM 186 CB SER A 13 16.737 -2.879 5.076 1.00 0.00 C ATOM 187 OG SER A 13 17.950 -2.546 4.417 1.00 0.00 O ATOM 0 H SER A 13 14.917 -0.896 3.986 1.00 0.00 H new ATOM 0 HA SER A 13 15.910 -3.540 3.198 1.00 0.00 H new ATOM 0 HB2 SER A 13 16.517 -2.160 5.865 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.812 -3.858 5.549 1.00 0.00 H new ATOM 0 HG SER A 13 18.684 -2.538 5.067 1.00 0.00 H new ATOM 193 N ARG A 14 13.245 -2.654 4.625 1.00 0.00 N ATOM 194 CA ARG A 14 11.875 -3.124 4.913 1.00 0.00 C ATOM 195 C ARG A 14 11.258 -3.884 3.746 1.00 0.00 C ATOM 196 O ARG A 14 10.399 -4.734 3.985 1.00 0.00 O ATOM 197 CB ARG A 14 10.986 -1.925 5.245 1.00 0.00 C ATOM 198 CG ARG A 14 11.337 -1.289 6.607 1.00 0.00 C ATOM 199 CD ARG A 14 10.765 -2.115 7.771 1.00 0.00 C ATOM 200 NE ARG A 14 11.055 -1.485 9.076 1.00 0.00 N ATOM 201 CZ ARG A 14 10.606 -1.864 10.257 1.00 0.00 C ATOM 202 NH1 ARG A 14 9.824 -2.896 10.402 1.00 0.00 N ATOM 203 NH2 ARG A 14 10.941 -1.204 11.329 1.00 0.00 N ATOM 0 H ARG A 14 13.301 -1.646 4.478 1.00 0.00 H new ATOM 0 HA ARG A 14 11.942 -3.809 5.758 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.085 -1.175 4.461 1.00 0.00 H new ATOM 0 HB3 ARG A 14 9.943 -2.241 5.253 1.00 0.00 H new ATOM 0 HG2 ARG A 14 12.420 -1.215 6.708 1.00 0.00 H new ATOM 0 HG3 ARG A 14 10.942 -0.274 6.650 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.687 -2.221 7.648 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.188 -3.119 7.748 1.00 0.00 H new ATOM 0 HE ARG A 14 11.668 -0.670 9.062 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.540 -3.439 9.587 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.496 -3.161 11.331 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.553 -0.391 11.257 1.00 0.00 H new ATOM 0 HH22 ARG A 14 10.592 -1.500 12.240 1.00 0.00 H new ATOM 217 N ILE A 15 11.728 -3.672 2.504 1.00 0.00 N ATOM 218 CA ILE A 15 11.296 -4.471 1.341 1.00 0.00 C ATOM 219 C ILE A 15 11.526 -5.982 1.515 1.00 0.00 C ATOM 220 O ILE A 15 10.853 -6.809 0.896 1.00 0.00 O ATOM 221 CB ILE A 15 11.903 -3.982 0.003 1.00 0.00 C ATOM 222 CG1 ILE A 15 13.324 -4.484 -0.332 1.00 0.00 C ATOM 223 CG2 ILE A 15 11.835 -2.458 -0.107 1.00 0.00 C ATOM 224 CD1 ILE A 15 14.421 -4.080 0.662 1.00 0.00 C ATOM 0 H ILE A 15 12.412 -2.949 2.278 1.00 0.00 H new ATOM 0 HA ILE A 15 10.219 -4.310 1.293 1.00 0.00 H new ATOM 0 HB ILE A 15 11.269 -4.448 -0.751 1.00 0.00 H new ATOM 0 HG12 ILE A 15 13.300 -5.572 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 15 13.598 -4.112 -1.319 1.00 0.00 H new ATOM 0 HG21 ILE A 15 12.268 -2.142 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 15 10.795 -2.136 -0.057 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.394 -2.009 0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.378 -4.484 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 15 14.484 -2.993 0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.181 -4.475 1.649 1.00 0.00 H new ATOM 236 N SER A 16 12.475 -6.337 2.390 1.00 0.00 N ATOM 237 CA SER A 16 12.877 -7.717 2.701 1.00 0.00 C ATOM 238 C SER A 16 11.774 -8.498 3.426 1.00 0.00 C ATOM 239 O SER A 16 11.727 -9.731 3.370 1.00 0.00 O ATOM 240 CB SER A 16 14.160 -7.689 3.539 1.00 0.00 C ATOM 241 OG SER A 16 14.770 -8.969 3.582 1.00 0.00 O ATOM 0 H SER A 16 13.005 -5.646 2.921 1.00 0.00 H new ATOM 0 HA SER A 16 13.058 -8.238 1.761 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.857 -6.964 3.118 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.929 -7.358 4.552 1.00 0.00 H new ATOM 0 HG SER A 16 15.587 -8.924 4.121 1.00 0.00 H new ATOM 247 N ASP A 17 10.832 -7.787 4.063 1.00 0.00 N ATOM 248 CA ASP A 17 9.699 -8.390 4.781 1.00 0.00 C ATOM 249 C ASP A 17 8.718 -9.139 3.863 1.00 0.00 C ATOM 250 O ASP A 17 7.928 -9.972 4.318 1.00 0.00 O ATOM 251 CB ASP A 17 8.985 -7.310 5.606 1.00 0.00 C ATOM 252 CG ASP A 17 7.955 -7.904 6.580 1.00 0.00 C ATOM 253 OD1 ASP A 17 8.360 -8.675 7.489 1.00 0.00 O ATOM 254 OD2 ASP A 17 6.752 -7.573 6.469 1.00 0.00 O ATOM 0 H ASP A 17 10.835 -6.767 4.095 1.00 0.00 H new ATOM 0 HA ASP A 17 10.103 -9.152 5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.724 -6.737 6.167 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.485 -6.613 4.933 1.00 0.00 H new ATOM 259 N THR A 18 8.807 -8.898 2.553 1.00 0.00 N ATOM 260 CA THR A 18 8.045 -9.610 1.510 1.00 0.00 C ATOM 261 C THR A 18 8.238 -11.121 1.510 1.00 0.00 C ATOM 262 O THR A 18 7.341 -11.836 1.076 1.00 0.00 O ATOM 263 CB THR A 18 8.376 -9.115 0.091 1.00 0.00 C ATOM 264 OG1 THR A 18 9.764 -9.070 -0.151 1.00 0.00 O ATOM 265 CG2 THR A 18 7.784 -7.737 -0.149 1.00 0.00 C ATOM 0 H THR A 18 9.427 -8.183 2.172 1.00 0.00 H new ATOM 0 HA THR A 18 7.011 -9.384 1.769 1.00 0.00 H new ATOM 0 HB THR A 18 7.934 -9.834 -0.599 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.150 -8.290 0.300 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.030 -7.406 -1.158 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.701 -7.782 -0.036 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.196 -7.033 0.574 1.00 0.00 H new ATOM 273 N GLY A 19 9.352 -11.626 2.043 1.00 0.00 N ATOM 274 CA GLY A 19 9.572 -13.066 2.257 1.00 0.00 C ATOM 275 C GLY A 19 8.499 -13.753 3.125 1.00 0.00 C ATOM 276 O GLY A 19 8.323 -14.970 3.025 1.00 0.00 O ATOM 0 H GLY A 19 10.136 -11.046 2.342 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.610 -13.563 1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.546 -13.206 2.726 1.00 0.00 H new ATOM 280 N SER A 20 7.779 -12.997 3.964 1.00 0.00 N ATOM 281 CA SER A 20 6.768 -13.528 4.893 1.00 0.00 C ATOM 282 C SER A 20 5.413 -13.881 4.268 1.00 0.00 C ATOM 283 O SER A 20 4.799 -14.885 4.643 1.00 0.00 O ATOM 284 CB SER A 20 6.543 -12.543 6.045 1.00 0.00 C ATOM 285 OG SER A 20 6.000 -11.301 5.608 1.00 0.00 O ATOM 0 H SER A 20 7.883 -11.984 4.019 1.00 0.00 H new ATOM 0 HA SER A 20 7.187 -14.471 5.243 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.870 -12.992 6.775 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.490 -12.362 6.553 1.00 0.00 H new ATOM 0 HG SER A 20 6.651 -10.842 5.038 1.00 0.00 H new ATOM 291 N ALA A 21 4.971 -13.078 3.296 1.00 0.00 N ATOM 292 CA ALA A 21 3.655 -13.179 2.652 1.00 0.00 C ATOM 293 C ALA A 21 3.731 -13.301 1.113 1.00 0.00 C ATOM 294 O ALA A 21 2.711 -13.472 0.441 1.00 0.00 O ATOM 295 CB ALA A 21 2.833 -11.964 3.096 1.00 0.00 C ATOM 0 H ALA A 21 5.536 -12.315 2.923 1.00 0.00 H new ATOM 0 HA ALA A 21 3.172 -14.104 2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.846 -12.005 2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.728 -11.972 4.181 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.340 -11.050 2.787 1.00 0.00 H new ATOM 301 N GLY A 22 4.941 -13.212 0.552 1.00 0.00 N ATOM 302 CA GLY A 22 5.234 -13.299 -0.886 1.00 0.00 C ATOM 303 C GLY A 22 5.230 -11.946 -1.611 1.00 0.00 C ATOM 304 O GLY A 22 5.914 -11.794 -2.625 1.00 0.00 O ATOM 0 H GLY A 22 5.782 -13.071 1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.209 -13.767 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.500 -13.953 -1.356 1.00 0.00 H new ATOM 308 N LEU A 23 4.511 -10.948 -1.091 1.00 0.00 N ATOM 309 CA LEU A 23 4.438 -9.584 -1.628 1.00 0.00 C ATOM 310 C LEU A 23 4.174 -8.546 -0.527 1.00 0.00 C ATOM 311 O LEU A 23 3.876 -8.898 0.617 1.00 0.00 O ATOM 312 CB LEU A 23 3.385 -9.540 -2.768 1.00 0.00 C ATOM 313 CG LEU A 23 1.892 -9.626 -2.383 1.00 0.00 C ATOM 314 CD1 LEU A 23 1.322 -8.292 -1.876 1.00 0.00 C ATOM 315 CD2 LEU A 23 1.076 -10.033 -3.614 1.00 0.00 C ATOM 0 H LEU A 23 3.942 -11.071 -0.253 1.00 0.00 H new ATOM 0 HA LEU A 23 5.406 -9.312 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.533 -8.614 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.601 -10.360 -3.453 1.00 0.00 H new ATOM 0 HG LEU A 23 1.822 -10.358 -1.579 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.270 -8.419 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.873 -7.974 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.419 -7.536 -2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.021 -10.095 -3.347 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.208 -9.290 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.417 -11.004 -3.972 1.00 0.00 H new ATOM 327 N MET A 24 4.242 -7.264 -0.899 1.00 0.00 N ATOM 328 CA MET A 24 3.817 -6.122 -0.079 1.00 0.00 C ATOM 329 C MET A 24 3.025 -5.131 -0.942 1.00 0.00 C ATOM 330 O MET A 24 3.300 -4.969 -2.136 1.00 0.00 O ATOM 331 CB MET A 24 5.049 -5.465 0.565 1.00 0.00 C ATOM 332 CG MET A 24 4.719 -4.307 1.520 1.00 0.00 C ATOM 333 SD MET A 24 6.154 -3.509 2.286 1.00 0.00 S ATOM 334 CE MET A 24 6.788 -4.839 3.354 1.00 0.00 C ATOM 0 H MET A 24 4.606 -6.982 -1.809 1.00 0.00 H new ATOM 0 HA MET A 24 3.161 -6.460 0.723 1.00 0.00 H new ATOM 0 HB2 MET A 24 5.607 -6.224 1.112 1.00 0.00 H new ATOM 0 HB3 MET A 24 5.704 -5.095 -0.224 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.154 -3.554 0.971 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.067 -4.682 2.309 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.582 -4.447 3.991 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.979 -5.222 3.976 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.183 -5.645 2.736 1.00 0.00 H new ATOM 344 N LEU A 25 2.042 -4.461 -0.335 1.00 0.00 N ATOM 345 CA LEU A 25 1.244 -3.404 -0.964 1.00 0.00 C ATOM 346 C LEU A 25 1.697 -2.050 -0.388 1.00 0.00 C ATOM 347 O LEU A 25 1.918 -1.935 0.818 1.00 0.00 O ATOM 348 CB LEU A 25 -0.240 -3.701 -0.669 1.00 0.00 C ATOM 349 CG LEU A 25 -1.253 -3.163 -1.697 1.00 0.00 C ATOM 350 CD1 LEU A 25 -2.634 -3.730 -1.374 1.00 0.00 C ATOM 351 CD2 LEU A 25 -1.385 -1.642 -1.743 1.00 0.00 C ATOM 0 H LEU A 25 1.772 -4.643 0.632 1.00 0.00 H new ATOM 0 HA LEU A 25 1.379 -3.367 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.366 -4.781 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.487 -3.284 0.307 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.872 -3.478 -2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.359 -3.355 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.601 -4.818 -1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.928 -3.422 -0.371 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.121 -1.363 -2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.707 -1.275 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.421 -1.201 -1.997 1.00 0.00 H new ATOM 363 N VAL A 26 1.832 -1.021 -1.224 1.00 0.00 N ATOM 364 CA VAL A 26 2.236 0.328 -0.797 1.00 0.00 C ATOM 365 C VAL A 26 1.341 1.411 -1.405 1.00 0.00 C ATOM 366 O VAL A 26 0.860 1.277 -2.532 1.00 0.00 O ATOM 367 CB VAL A 26 3.736 0.564 -1.088 1.00 0.00 C ATOM 368 CG1 VAL A 26 4.042 0.596 -2.584 1.00 0.00 C ATOM 369 CG2 VAL A 26 4.276 1.851 -0.446 1.00 0.00 C ATOM 0 H VAL A 26 1.664 -1.096 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 26 2.099 0.398 0.282 1.00 0.00 H new ATOM 0 HB VAL A 26 4.242 -0.290 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.108 0.764 -2.734 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.758 -0.355 -3.034 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.478 1.402 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.334 1.961 -0.686 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.725 2.709 -0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.153 1.797 0.636 1.00 0.00 H new ATOM 379 N GLU A 27 1.144 2.501 -0.661 1.00 0.00 N ATOM 380 CA GLU A 27 0.347 3.673 -1.038 1.00 0.00 C ATOM 381 C GLU A 27 1.217 4.937 -0.965 1.00 0.00 C ATOM 382 O GLU A 27 1.578 5.415 0.110 1.00 0.00 O ATOM 383 CB GLU A 27 -0.893 3.772 -0.135 1.00 0.00 C ATOM 384 CG GLU A 27 -1.761 4.994 -0.459 1.00 0.00 C ATOM 385 CD GLU A 27 -2.982 5.040 0.480 1.00 0.00 C ATOM 386 OE1 GLU A 27 -2.880 5.648 1.579 1.00 0.00 O ATOM 387 OE2 GLU A 27 -4.046 4.488 0.111 1.00 0.00 O ATOM 0 H GLU A 27 1.556 2.596 0.267 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.002 3.572 -2.066 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.491 2.867 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.576 3.821 0.907 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.174 5.906 -0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.092 4.950 -1.497 1.00 0.00 H new ATOM 394 N PHE A 28 1.558 5.492 -2.125 1.00 0.00 N ATOM 395 CA PHE A 28 2.196 6.802 -2.223 1.00 0.00 C ATOM 396 C PHE A 28 1.130 7.898 -2.083 1.00 0.00 C ATOM 397 O PHE A 28 0.082 7.842 -2.738 1.00 0.00 O ATOM 398 CB PHE A 28 2.972 6.894 -3.535 1.00 0.00 C ATOM 399 CG PHE A 28 4.128 5.913 -3.609 1.00 0.00 C ATOM 400 CD1 PHE A 28 5.391 6.299 -3.121 1.00 0.00 C ATOM 401 CD2 PHE A 28 3.950 4.623 -4.152 1.00 0.00 C ATOM 402 CE1 PHE A 28 6.480 5.415 -3.193 1.00 0.00 C ATOM 403 CE2 PHE A 28 5.044 3.739 -4.231 1.00 0.00 C ATOM 404 CZ PHE A 28 6.307 4.138 -3.757 1.00 0.00 C ATOM 0 H PHE A 28 1.399 5.044 -3.027 1.00 0.00 H new ATOM 0 HA PHE A 28 2.914 6.944 -1.415 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.292 6.710 -4.367 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.354 7.908 -3.655 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.523 7.280 -2.689 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.978 4.314 -4.506 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.447 5.715 -2.817 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.913 2.755 -4.656 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.146 3.462 -3.826 1.00 0.00 H new ATOM 414 N PHE A 29 1.383 8.878 -1.210 1.00 0.00 N ATOM 415 CA PHE A 29 0.384 9.861 -0.771 1.00 0.00 C ATOM 416 C PHE A 29 0.995 11.220 -0.364 1.00 0.00 C ATOM 417 O PHE A 29 2.183 11.451 -0.587 1.00 0.00 O ATOM 418 CB PHE A 29 -0.389 9.201 0.389 1.00 0.00 C ATOM 419 CG PHE A 29 -1.722 9.820 0.764 1.00 0.00 C ATOM 420 CD1 PHE A 29 -2.655 10.170 -0.234 1.00 0.00 C ATOM 421 CD2 PHE A 29 -2.054 10.002 2.123 1.00 0.00 C ATOM 422 CE1 PHE A 29 -3.906 10.697 0.123 1.00 0.00 C ATOM 423 CE2 PHE A 29 -3.307 10.528 2.479 1.00 0.00 C ATOM 424 CZ PHE A 29 -4.227 10.872 1.481 1.00 0.00 C ATOM 0 H PHE A 29 2.299 9.014 -0.782 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.279 10.112 -1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.561 8.156 0.131 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.250 9.211 1.272 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.406 10.032 -1.276 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.343 9.736 2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.619 10.967 -0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.560 10.667 3.520 1.00 0.00 H new ATOM 0 HZ PHE A 29 -5.191 11.275 1.756 1.00 0.00 H new ATOM 434 N ALA A 30 0.195 12.119 0.219 1.00 0.00 N ATOM 435 CA ALA A 30 0.630 13.367 0.860 1.00 0.00 C ATOM 436 C ALA A 30 -0.395 13.811 1.941 1.00 0.00 C ATOM 437 O ALA A 30 -1.562 13.406 1.863 1.00 0.00 O ATOM 438 CB ALA A 30 0.780 14.454 -0.209 1.00 0.00 C ATOM 0 H ALA A 30 -0.816 11.993 0.259 1.00 0.00 H new ATOM 0 HA ALA A 30 1.589 13.204 1.351 1.00 0.00 H new ATOM 0 HB1 ALA A 30 1.103 15.383 0.260 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.522 14.142 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.178 14.611 -0.705 1.00 0.00 H new ATOM 444 N PRO A 31 -0.026 14.657 2.927 1.00 0.00 N ATOM 445 CA PRO A 31 -0.914 15.136 4.005 1.00 0.00 C ATOM 446 C PRO A 31 -2.136 15.993 3.592 1.00 0.00 C ATOM 447 O PRO A 31 -2.839 16.504 4.466 1.00 0.00 O ATOM 448 CB PRO A 31 -0.008 15.959 4.938 1.00 0.00 C ATOM 449 CG PRO A 31 1.405 15.470 4.645 1.00 0.00 C ATOM 450 CD PRO A 31 1.330 15.136 3.159 1.00 0.00 C ATOM 0 HA PRO A 31 -1.376 14.257 4.455 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.105 17.027 4.742 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.271 15.802 5.984 1.00 0.00 H new ATOM 0 HG2 PRO A 31 2.152 16.236 4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.667 14.599 5.245 1.00 0.00 H new ATOM 0 HD2 PRO A 31 1.544 16.014 2.550 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.064 14.376 2.892 1.00 0.00 H new ATOM 550 N ARG A 38 -10.356 11.326 4.377 1.00 0.00 N ATOM 551 CA ARG A 38 -11.263 10.410 3.653 1.00 0.00 C ATOM 552 C ARG A 38 -10.645 9.034 3.372 1.00 0.00 C ATOM 553 O ARG A 38 -11.382 8.058 3.218 1.00 0.00 O ATOM 554 CB ARG A 38 -11.702 11.067 2.330 1.00 0.00 C ATOM 555 CG ARG A 38 -12.515 12.356 2.525 1.00 0.00 C ATOM 556 CD ARG A 38 -12.919 12.958 1.170 1.00 0.00 C ATOM 557 NE ARG A 38 -13.836 14.100 1.342 1.00 0.00 N ATOM 558 CZ ARG A 38 -13.694 15.344 0.917 1.00 0.00 C ATOM 559 NH1 ARG A 38 -12.635 15.770 0.291 1.00 0.00 N ATOM 560 NH2 ARG A 38 -14.646 16.211 1.118 1.00 0.00 N ATOM 0 HA ARG A 38 -12.122 10.235 4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.817 11.292 1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -12.298 10.354 1.760 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -13.407 12.143 3.114 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.927 13.080 3.089 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.027 13.283 0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.398 12.193 0.558 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.694 13.904 1.857 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.861 15.132 0.106 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.580 16.742 -0.015 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.498 15.929 1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.539 17.171 0.791 1.00 0.00 H new ATOM 574 N LEU A 39 -9.311 8.950 3.333 1.00 0.00 N ATOM 575 CA LEU A 39 -8.553 7.753 2.940 1.00 0.00 C ATOM 576 C LEU A 39 -7.811 7.085 4.111 1.00 0.00 C ATOM 577 O LEU A 39 -7.654 5.863 4.111 1.00 0.00 O ATOM 578 CB LEU A 39 -7.584 8.171 1.818 1.00 0.00 C ATOM 579 CG LEU A 39 -6.796 7.011 1.181 1.00 0.00 C ATOM 580 CD1 LEU A 39 -7.701 6.028 0.446 1.00 0.00 C ATOM 581 CD2 LEU A 39 -5.810 7.603 0.172 1.00 0.00 C ATOM 0 H LEU A 39 -8.709 9.735 3.581 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.250 6.991 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.151 8.678 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.876 8.896 2.220 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.291 6.468 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.097 5.230 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.420 5.602 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.234 6.549 -0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.239 6.799 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.359 8.150 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.129 8.282 0.685 1.00 0.00 H new ATOM 593 N ALA A 40 -7.420 7.842 5.140 1.00 0.00 N ATOM 594 CA ALA A 40 -6.802 7.286 6.347 1.00 0.00 C ATOM 595 C ALA A 40 -7.619 6.147 7.014 1.00 0.00 C ATOM 596 O ALA A 40 -7.029 5.095 7.278 1.00 0.00 O ATOM 597 CB ALA A 40 -6.484 8.423 7.324 1.00 0.00 C ATOM 0 H ALA A 40 -7.523 8.857 5.160 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.875 6.801 6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.024 8.012 8.223 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.796 9.126 6.853 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.405 8.941 7.592 1.00 0.00 H new ATOM 603 N PRO A 41 -8.949 6.257 7.223 1.00 0.00 N ATOM 604 CA PRO A 41 -9.713 5.187 7.868 1.00 0.00 C ATOM 605 C PRO A 41 -9.951 3.972 6.954 1.00 0.00 C ATOM 606 O PRO A 41 -10.359 2.919 7.443 1.00 0.00 O ATOM 607 CB PRO A 41 -11.031 5.831 8.309 1.00 0.00 C ATOM 608 CG PRO A 41 -11.244 6.924 7.265 1.00 0.00 C ATOM 609 CD PRO A 41 -9.821 7.399 6.976 1.00 0.00 C ATOM 0 HA PRO A 41 -9.156 4.779 8.711 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.850 5.112 8.314 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.962 6.242 9.316 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.731 6.538 6.369 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.870 7.731 7.646 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -9.728 7.743 5.946 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.554 8.238 7.618 1.00 0.00 H new ATOM 617 N GLU A 42 -9.691 4.079 5.643 1.00 0.00 N ATOM 618 CA GLU A 42 -9.794 2.951 4.705 1.00 0.00 C ATOM 619 C GLU A 42 -8.524 2.083 4.708 1.00 0.00 C ATOM 620 O GLU A 42 -8.600 0.858 4.824 1.00 0.00 O ATOM 621 CB GLU A 42 -10.043 3.471 3.279 1.00 0.00 C ATOM 622 CG GLU A 42 -11.366 4.237 3.110 1.00 0.00 C ATOM 623 CD GLU A 42 -12.598 3.381 3.473 1.00 0.00 C ATOM 624 OE1 GLU A 42 -12.655 2.197 3.066 1.00 0.00 O ATOM 625 OE2 GLU A 42 -13.524 3.896 4.148 1.00 0.00 O ATOM 0 H GLU A 42 -9.403 4.952 5.202 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.631 2.334 5.033 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.219 4.124 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.034 2.627 2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.349 5.127 3.739 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.456 4.577 2.078 1.00 0.00 H new ATOM 632 N TYR A 43 -7.347 2.703 4.582 1.00 0.00 N ATOM 633 CA TYR A 43 -6.110 1.958 4.352 1.00 0.00 C ATOM 634 C TYR A 43 -5.557 1.302 5.633 1.00 0.00 C ATOM 635 O TYR A 43 -5.007 0.204 5.584 1.00 0.00 O ATOM 636 CB TYR A 43 -5.088 2.897 3.699 1.00 0.00 C ATOM 637 CG TYR A 43 -3.904 2.177 3.082 1.00 0.00 C ATOM 638 CD1 TYR A 43 -4.092 1.364 1.945 1.00 0.00 C ATOM 639 CD2 TYR A 43 -2.615 2.355 3.614 1.00 0.00 C ATOM 640 CE1 TYR A 43 -2.988 0.734 1.343 1.00 0.00 C ATOM 641 CE2 TYR A 43 -1.509 1.743 3.001 1.00 0.00 C ATOM 642 CZ TYR A 43 -1.695 0.938 1.856 1.00 0.00 C ATOM 643 OH TYR A 43 -0.618 0.392 1.237 1.00 0.00 O ATOM 0 H TYR A 43 -7.227 3.714 4.635 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.324 1.127 3.680 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -5.588 3.483 2.928 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.724 3.600 4.448 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -5.082 1.225 1.537 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.475 2.963 4.495 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.134 0.093 0.486 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.518 1.888 3.405 1.00 0.00 H new ATOM 0 HH TYR A 43 0.204 0.736 1.646 1.00 0.00 H new ATOM 653 N GLU A 44 -5.767 1.920 6.805 1.00 0.00 N ATOM 654 CA GLU A 44 -5.459 1.315 8.113 1.00 0.00 C ATOM 655 C GLU A 44 -6.290 0.061 8.361 1.00 0.00 C ATOM 656 O GLU A 44 -5.782 -0.981 8.780 1.00 0.00 O ATOM 657 CB GLU A 44 -5.734 2.315 9.243 1.00 0.00 C ATOM 658 CG GLU A 44 -4.752 3.472 9.150 1.00 0.00 C ATOM 659 CD GLU A 44 -4.784 4.356 10.411 1.00 0.00 C ATOM 660 OE1 GLU A 44 -5.705 5.193 10.558 1.00 0.00 O ATOM 661 OE2 GLU A 44 -3.887 4.207 11.275 1.00 0.00 O ATOM 0 H GLU A 44 -6.158 2.860 6.874 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.403 1.044 8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.757 2.686 9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.639 1.821 10.210 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.744 3.082 9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.987 4.079 8.275 1.00 0.00 H new ATOM 668 N ALA A 45 -7.578 0.182 8.054 1.00 0.00 N ATOM 669 CA ALA A 45 -8.550 -0.909 8.173 1.00 0.00 C ATOM 670 C ALA A 45 -8.204 -2.098 7.262 1.00 0.00 C ATOM 671 O ALA A 45 -8.250 -3.247 7.707 1.00 0.00 O ATOM 672 CB ALA A 45 -9.962 -0.377 7.895 1.00 0.00 C ATOM 0 H ALA A 45 -7.985 1.052 7.710 1.00 0.00 H new ATOM 0 HA ALA A 45 -8.512 -1.288 9.194 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.682 -1.191 7.984 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.205 0.403 8.616 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.004 0.035 6.887 1.00 0.00 H new ATOM 678 N ALA A 46 -7.789 -1.845 6.014 1.00 0.00 N ATOM 679 CA ALA A 46 -7.303 -2.882 5.102 1.00 0.00 C ATOM 680 C ALA A 46 -6.112 -3.673 5.683 1.00 0.00 C ATOM 681 O ALA A 46 -6.086 -4.902 5.599 1.00 0.00 O ATOM 682 CB ALA A 46 -6.911 -2.218 3.783 1.00 0.00 C ATOM 0 H ALA A 46 -7.782 -0.909 5.609 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.103 -3.606 4.946 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.546 -2.975 3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.781 -1.721 3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.126 -1.483 3.965 1.00 0.00 H new ATOM 688 N ALA A 47 -5.146 -2.993 6.306 1.00 0.00 N ATOM 689 CA ALA A 47 -3.958 -3.620 6.882 1.00 0.00 C ATOM 690 C ALA A 47 -4.290 -4.534 8.082 1.00 0.00 C ATOM 691 O ALA A 47 -3.691 -5.598 8.231 1.00 0.00 O ATOM 692 CB ALA A 47 -2.965 -2.520 7.264 1.00 0.00 C ATOM 0 H ALA A 47 -5.169 -1.980 6.425 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.511 -4.276 6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.071 -2.971 7.696 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.691 -1.952 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.424 -1.853 7.994 1.00 0.00 H new ATOM 698 N THR A 48 -5.276 -4.157 8.907 1.00 0.00 N ATOM 699 CA THR A 48 -5.803 -5.014 9.989 1.00 0.00 C ATOM 700 C THR A 48 -6.630 -6.190 9.446 1.00 0.00 C ATOM 701 O THR A 48 -6.487 -7.321 9.920 1.00 0.00 O ATOM 702 CB THR A 48 -6.644 -4.187 10.976 1.00 0.00 C ATOM 703 OG1 THR A 48 -5.894 -3.105 11.473 1.00 0.00 O ATOM 704 CG2 THR A 48 -7.098 -4.990 12.195 1.00 0.00 C ATOM 0 H THR A 48 -5.735 -3.248 8.847 1.00 0.00 H new ATOM 0 HA THR A 48 -4.943 -5.430 10.513 1.00 0.00 H new ATOM 0 HB THR A 48 -7.516 -3.860 10.409 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.064 -3.439 11.873 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.687 -4.351 12.853 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.706 -5.834 11.869 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.225 -5.359 12.733 1.00 0.00 H new ATOM 712 N ARG A 49 -7.456 -5.968 8.414 1.00 0.00 N ATOM 713 CA ARG A 49 -8.294 -7.010 7.773 1.00 0.00 C ATOM 714 C ARG A 49 -7.488 -8.054 6.985 1.00 0.00 C ATOM 715 O ARG A 49 -7.980 -9.159 6.753 1.00 0.00 O ATOM 716 CB ARG A 49 -9.366 -6.349 6.889 1.00 0.00 C ATOM 717 CG ARG A 49 -10.451 -5.667 7.749 1.00 0.00 C ATOM 718 CD ARG A 49 -11.419 -4.814 6.920 1.00 0.00 C ATOM 719 NE ARG A 49 -12.308 -5.630 6.075 1.00 0.00 N ATOM 720 CZ ARG A 49 -13.198 -5.165 5.210 1.00 0.00 C ATOM 721 NH1 ARG A 49 -13.429 -3.897 5.034 1.00 0.00 N ATOM 722 NH2 ARG A 49 -13.919 -5.962 4.480 1.00 0.00 N ATOM 0 H ARG A 49 -7.568 -5.047 7.989 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.776 -7.566 8.577 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -8.899 -5.612 6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.826 -7.100 6.246 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.015 -6.430 8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.971 -5.038 8.499 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.022 -4.200 7.589 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.849 -4.132 6.289 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.232 -6.643 6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.913 -3.204 5.576 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.126 -3.595 4.354 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.807 -6.972 4.565 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.597 -5.577 3.822 1.00 0.00 H new ATOM 736 N LEU A 50 -6.240 -7.725 6.631 1.00 0.00 N ATOM 737 CA LEU A 50 -5.279 -8.584 5.918 1.00 0.00 C ATOM 738 C LEU A 50 -4.004 -8.853 6.748 1.00 0.00 C ATOM 739 O LEU A 50 -2.970 -9.245 6.202 1.00 0.00 O ATOM 740 CB LEU A 50 -4.947 -7.934 4.557 1.00 0.00 C ATOM 741 CG LEU A 50 -6.151 -7.695 3.626 1.00 0.00 C ATOM 742 CD1 LEU A 50 -5.693 -7.015 2.340 1.00 0.00 C ATOM 743 CD2 LEU A 50 -6.859 -8.999 3.249 1.00 0.00 C ATOM 0 H LEU A 50 -5.851 -6.807 6.844 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.735 -9.560 5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.456 -6.978 4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.228 -8.567 4.037 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.850 -7.062 4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.552 -6.851 1.689 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.231 -6.057 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.968 -7.650 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.701 -8.779 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.159 -9.657 2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.222 -9.490 4.152 1.00 0.00 H new ATOM 755 N LYS A 51 -4.051 -8.666 8.075 1.00 0.00 N ATOM 756 CA LYS A 51 -2.930 -8.921 8.994 1.00 0.00 C ATOM 757 C LYS A 51 -2.440 -10.371 8.899 1.00 0.00 C ATOM 758 O LYS A 51 -3.219 -11.313 9.076 1.00 0.00 O ATOM 759 CB LYS A 51 -3.384 -8.553 10.414 1.00 0.00 C ATOM 760 CG LYS A 51 -2.242 -8.635 11.438 1.00 0.00 C ATOM 761 CD LYS A 51 -2.677 -8.219 12.851 1.00 0.00 C ATOM 762 CE LYS A 51 -3.700 -9.186 13.462 1.00 0.00 C ATOM 763 NZ LYS A 51 -4.016 -8.818 14.870 1.00 0.00 N ATOM 0 H LYS A 51 -4.887 -8.326 8.550 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.075 -8.304 8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.792 -7.542 10.411 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.189 -9.221 10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.859 -9.655 11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.422 -7.995 11.112 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.800 -8.168 13.497 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.106 -7.217 12.815 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.613 -9.176 12.867 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.308 -10.203 13.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.710 -9.489 15.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.147 -8.851 15.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.412 -7.857 14.897 1.00 0.00 H new ATOM 777 N GLY A 52 -1.150 -10.552 8.598 1.00 0.00 N ATOM 778 CA GLY A 52 -0.537 -11.863 8.355 1.00 0.00 C ATOM 779 C GLY A 52 -0.874 -12.494 6.994 1.00 0.00 C ATOM 780 O GLY A 52 -0.547 -13.660 6.757 1.00 0.00 O ATOM 0 H GLY A 52 -0.491 -9.778 8.515 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.545 -11.762 8.434 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.852 -12.547 9.144 1.00 0.00 H new ATOM 784 N ILE A 53 -1.527 -11.738 6.097 1.00 0.00 N ATOM 785 CA ILE A 53 -2.004 -12.190 4.772 1.00 0.00 C ATOM 786 C ILE A 53 -1.454 -11.283 3.655 1.00 0.00 C ATOM 787 O ILE A 53 -0.946 -11.790 2.656 1.00 0.00 O ATOM 788 CB ILE A 53 -3.556 -12.268 4.747 1.00 0.00 C ATOM 789 CG1 ILE A 53 -4.104 -13.168 5.883 1.00 0.00 C ATOM 790 CG2 ILE A 53 -4.064 -12.787 3.387 1.00 0.00 C ATOM 791 CD1 ILE A 53 -5.633 -13.204 6.001 1.00 0.00 C ATOM 0 H ILE A 53 -1.747 -10.759 6.277 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.624 -13.195 4.588 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.925 -11.254 4.902 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.743 -14.184 5.727 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.689 -12.824 6.831 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.153 -12.831 3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.736 -12.113 2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.662 -13.784 3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.919 -13.860 6.823 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.007 -12.198 6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.061 -13.580 5.072 1.00 0.00 H new ATOM 803 N VAL A 54 -1.479 -9.957 3.853 1.00 0.00 N ATOM 804 CA VAL A 54 -0.859 -8.945 2.978 1.00 0.00 C ATOM 805 C VAL A 54 -0.322 -7.787 3.843 1.00 0.00 C ATOM 806 O VAL A 54 -1.128 -7.046 4.416 1.00 0.00 O ATOM 807 CB VAL A 54 -1.848 -8.365 1.937 1.00 0.00 C ATOM 808 CG1 VAL A 54 -1.111 -7.468 0.930 1.00 0.00 C ATOM 809 CG2 VAL A 54 -2.578 -9.436 1.124 1.00 0.00 C ATOM 0 H VAL A 54 -1.949 -9.542 4.657 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.056 -9.441 2.433 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.578 -7.806 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.824 -7.071 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.633 -6.644 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.353 -8.053 0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.254 -8.957 0.415 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.851 -10.039 0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.151 -10.076 1.796 1.00 0.00 H new ATOM 819 N PRO A 55 1.009 -7.596 3.960 1.00 0.00 N ATOM 820 CA PRO A 55 1.565 -6.415 4.613 1.00 0.00 C ATOM 821 C PRO A 55 1.327 -5.169 3.745 1.00 0.00 C ATOM 822 O PRO A 55 1.494 -5.198 2.522 1.00 0.00 O ATOM 823 CB PRO A 55 3.056 -6.714 4.809 1.00 0.00 C ATOM 824 CG PRO A 55 3.382 -7.713 3.705 1.00 0.00 C ATOM 825 CD PRO A 55 2.071 -8.467 3.489 1.00 0.00 C ATOM 0 HA PRO A 55 1.091 -6.205 5.572 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.659 -5.810 4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.252 -7.132 5.796 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.707 -7.210 2.795 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.186 -8.387 4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.933 -8.711 2.436 1.00 0.00 H new ATOM 0 HD3 PRO A 55 2.071 -9.409 4.037 1.00 0.00 H new ATOM 833 N LEU A 56 0.955 -4.065 4.395 1.00 0.00 N ATOM 834 CA LEU A 56 0.629 -2.777 3.771 1.00 0.00 C ATOM 835 C LEU A 56 1.581 -1.686 4.284 1.00 0.00 C ATOM 836 O LEU A 56 1.999 -1.720 5.445 1.00 0.00 O ATOM 837 CB LEU A 56 -0.840 -2.401 4.076 1.00 0.00 C ATOM 838 CG LEU A 56 -1.838 -2.657 2.930 1.00 0.00 C ATOM 839 CD1 LEU A 56 -2.019 -4.141 2.612 1.00 0.00 C ATOM 840 CD2 LEU A 56 -3.206 -2.098 3.299 1.00 0.00 C ATOM 0 H LEU A 56 0.868 -4.040 5.411 1.00 0.00 H new ATOM 0 HA LEU A 56 0.751 -2.863 2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.167 -2.962 4.952 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.880 -1.344 4.341 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.422 -2.163 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.734 -4.254 1.797 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.061 -4.569 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.391 -4.660 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -3.906 -2.283 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.566 -2.586 4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.126 -1.025 3.472 1.00 0.00 H new ATOM 852 N ALA A 57 1.865 -0.693 3.449 1.00 0.00 N ATOM 853 CA ALA A 57 2.744 0.429 3.774 1.00 0.00 C ATOM 854 C ALA A 57 2.290 1.734 3.108 1.00 0.00 C ATOM 855 O ALA A 57 1.549 1.700 2.121 1.00 0.00 O ATOM 856 CB ALA A 57 4.168 0.088 3.326 1.00 0.00 C ATOM 0 H ALA A 57 1.483 -0.643 2.505 1.00 0.00 H new ATOM 0 HA ALA A 57 2.707 0.587 4.852 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.833 0.918 3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.508 -0.809 3.845 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.179 -0.089 2.251 1.00 0.00 H new ATOM 862 N LYS A 58 2.779 2.877 3.585 1.00 0.00 N ATOM 863 CA LYS A 58 2.573 4.184 2.945 1.00 0.00 C ATOM 864 C LYS A 58 3.851 5.024 2.900 1.00 0.00 C ATOM 865 O LYS A 58 4.734 4.850 3.742 1.00 0.00 O ATOM 866 CB LYS A 58 1.403 4.932 3.614 1.00 0.00 C ATOM 867 CG LYS A 58 1.666 5.315 5.076 1.00 0.00 C ATOM 868 CD LYS A 58 0.501 6.113 5.668 1.00 0.00 C ATOM 869 CE LYS A 58 0.805 6.422 7.138 1.00 0.00 C ATOM 870 NZ LYS A 58 -0.216 7.313 7.752 1.00 0.00 N ATOM 0 H LYS A 58 3.337 2.927 4.437 1.00 0.00 H new ATOM 0 HA LYS A 58 2.305 4.004 1.904 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.189 5.836 3.044 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.511 4.308 3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.827 4.413 5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.581 5.904 5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.357 7.039 5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.425 5.544 5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.855 5.489 7.700 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.786 6.892 7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.033 7.493 8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.247 8.214 7.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.149 6.855 7.706 1.00 0.00 H new ATOM 884 N VAL A 59 3.935 5.924 1.916 1.00 0.00 N ATOM 885 CA VAL A 59 5.083 6.814 1.661 1.00 0.00 C ATOM 886 C VAL A 59 4.573 8.190 1.221 1.00 0.00 C ATOM 887 O VAL A 59 3.938 8.329 0.174 1.00 0.00 O ATOM 888 CB VAL A 59 6.023 6.232 0.582 1.00 0.00 C ATOM 889 CG1 VAL A 59 7.194 7.180 0.276 1.00 0.00 C ATOM 890 CG2 VAL A 59 6.639 4.891 1.006 1.00 0.00 C ATOM 0 H VAL A 59 3.178 6.062 1.246 1.00 0.00 H new ATOM 0 HA VAL A 59 5.654 6.907 2.585 1.00 0.00 H new ATOM 0 HB VAL A 59 5.394 6.096 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.832 6.735 -0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.806 8.133 -0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.775 7.345 1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.291 4.524 0.214 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.219 5.029 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.845 4.167 1.187 1.00 0.00 H new ATOM 900 N ASP A 60 4.843 9.227 2.011 1.00 0.00 N ATOM 901 CA ASP A 60 4.487 10.603 1.655 1.00 0.00 C ATOM 902 C ASP A 60 5.440 11.164 0.585 1.00 0.00 C ATOM 903 O ASP A 60 6.597 11.451 0.892 1.00 0.00 O ATOM 904 CB ASP A 60 4.478 11.486 2.912 1.00 0.00 C ATOM 905 CG ASP A 60 3.293 11.141 3.827 1.00 0.00 C ATOM 906 OD1 ASP A 60 2.138 11.487 3.478 1.00 0.00 O ATOM 907 OD2 ASP A 60 3.517 10.541 4.905 1.00 0.00 O ATOM 0 H ASP A 60 5.312 9.140 2.912 1.00 0.00 H new ATOM 0 HA ASP A 60 3.485 10.603 1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.412 11.355 3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.423 12.535 2.622 1.00 0.00 H new ATOM 912 N CYS A 61 4.980 11.345 -0.656 1.00 0.00 N ATOM 913 CA CYS A 61 5.741 11.929 -1.762 1.00 0.00 C ATOM 914 C CYS A 61 6.352 13.310 -1.446 1.00 0.00 C ATOM 915 O CYS A 61 7.494 13.589 -1.817 1.00 0.00 O ATOM 916 CB CYS A 61 4.793 12.034 -2.967 1.00 0.00 C ATOM 917 SG CYS A 61 5.552 12.686 -4.479 1.00 0.00 S ATOM 0 H CYS A 61 4.033 11.079 -0.927 1.00 0.00 H new ATOM 0 HA CYS A 61 6.593 11.280 -1.965 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.387 11.045 -3.179 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.952 12.672 -2.695 1.00 0.00 H new ATOM 922 N THR A 62 5.618 14.178 -0.733 1.00 0.00 N ATOM 923 CA THR A 62 6.114 15.519 -0.328 1.00 0.00 C ATOM 924 C THR A 62 7.304 15.452 0.649 1.00 0.00 C ATOM 925 O THR A 62 8.178 16.322 0.631 1.00 0.00 O ATOM 926 CB THR A 62 4.972 16.370 0.252 1.00 0.00 C ATOM 927 OG1 THR A 62 5.372 17.713 0.411 1.00 0.00 O ATOM 928 CG2 THR A 62 4.443 15.890 1.605 1.00 0.00 C ATOM 0 H THR A 62 4.668 13.980 -0.418 1.00 0.00 H new ATOM 0 HA THR A 62 6.487 16.000 -1.233 1.00 0.00 H new ATOM 0 HB THR A 62 4.170 16.270 -0.479 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.629 18.234 0.780 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.641 16.549 1.937 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.061 14.874 1.507 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.250 15.904 2.337 1.00 0.00 H new ATOM 936 N ALA A 63 7.386 14.385 1.456 1.00 0.00 N ATOM 937 CA ALA A 63 8.483 14.138 2.402 1.00 0.00 C ATOM 938 C ALA A 63 9.579 13.186 1.860 1.00 0.00 C ATOM 939 O ALA A 63 10.683 13.151 2.404 1.00 0.00 O ATOM 940 CB ALA A 63 7.870 13.599 3.700 1.00 0.00 C ATOM 0 H ALA A 63 6.675 13.653 1.469 1.00 0.00 H new ATOM 0 HA ALA A 63 9.002 15.081 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.662 13.406 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.177 14.335 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.334 12.673 3.492 1.00 0.00 H new ATOM 946 N ASN A 64 9.289 12.428 0.791 1.00 0.00 N ATOM 947 CA ASN A 64 10.159 11.398 0.209 1.00 0.00 C ATOM 948 C ASN A 64 10.129 11.433 -1.326 1.00 0.00 C ATOM 949 O ASN A 64 9.781 10.487 -2.033 1.00 0.00 O ATOM 950 CB ASN A 64 9.792 10.009 0.700 1.00 0.00 C ATOM 951 CG ASN A 64 9.653 9.878 2.202 1.00 0.00 C ATOM 952 OD1 ASN A 64 10.583 9.554 2.917 1.00 0.00 O ATOM 953 ND2 ASN A 64 8.465 10.097 2.717 1.00 0.00 N ATOM 0 H ASN A 64 8.406 12.521 0.289 1.00 0.00 H new ATOM 0 HA ASN A 64 11.172 11.624 0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.851 9.713 0.236 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.552 9.306 0.358 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.318 9.996 3.721 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.689 10.368 2.113 1.00 0.00 H new ATOM 960 N THR A 65 10.466 12.601 -1.827 1.00 0.00 N ATOM 961 CA THR A 65 10.304 12.994 -3.237 1.00 0.00 C ATOM 962 C THR A 65 11.263 12.251 -4.164 1.00 0.00 C ATOM 963 O THR A 65 10.871 11.888 -5.276 1.00 0.00 O ATOM 964 CB THR A 65 10.431 14.515 -3.410 1.00 0.00 C ATOM 965 OG1 THR A 65 9.692 15.189 -2.411 1.00 0.00 O ATOM 966 CG2 THR A 65 9.902 14.991 -4.759 1.00 0.00 C ATOM 0 H THR A 65 10.876 13.340 -1.256 1.00 0.00 H new ATOM 0 HA THR A 65 9.295 12.703 -3.529 1.00 0.00 H new ATOM 0 HB THR A 65 11.495 14.740 -3.337 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.913 14.650 -2.161 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.014 16.073 -4.833 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.465 14.513 -5.560 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.848 14.728 -4.850 1.00 0.00 H new ATOM 974 N ASN A 66 12.476 11.936 -3.695 1.00 0.00 N ATOM 975 CA ASN A 66 13.435 11.127 -4.452 1.00 0.00 C ATOM 976 C ASN A 66 12.893 9.708 -4.717 1.00 0.00 C ATOM 977 O ASN A 66 12.920 9.244 -5.857 1.00 0.00 O ATOM 978 CB ASN A 66 14.812 11.161 -3.755 1.00 0.00 C ATOM 979 CG ASN A 66 15.082 10.036 -2.759 1.00 0.00 C ATOM 980 OD1 ASN A 66 15.479 8.942 -3.130 1.00 0.00 O ATOM 981 ND2 ASN A 66 14.886 10.268 -1.483 1.00 0.00 N ATOM 0 H ASN A 66 12.819 12.235 -2.782 1.00 0.00 H new ATOM 0 HA ASN A 66 13.577 11.558 -5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 66 15.587 11.135 -4.522 1.00 0.00 H new ATOM 0 HB3 ASN A 66 14.911 12.113 -3.234 1.00 0.00 H new ATOM 0 HD21 ASN A 66 15.065 9.534 -0.798 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.554 11.182 -1.176 1.00 0.00 H new ATOM 988 N THR A 67 12.295 9.074 -3.703 1.00 0.00 N ATOM 989 CA THR A 67 11.554 7.807 -3.846 1.00 0.00 C ATOM 990 C THR A 67 10.339 7.977 -4.763 1.00 0.00 C ATOM 991 O THR A 67 10.139 7.182 -5.676 1.00 0.00 O ATOM 992 CB THR A 67 11.099 7.253 -2.475 1.00 0.00 C ATOM 993 OG1 THR A 67 12.154 7.291 -1.541 1.00 0.00 O ATOM 994 CG2 THR A 67 10.639 5.796 -2.577 1.00 0.00 C ATOM 0 H THR A 67 12.310 9.427 -2.746 1.00 0.00 H new ATOM 0 HA THR A 67 12.240 7.089 -4.297 1.00 0.00 H new ATOM 0 HB THR A 67 10.272 7.885 -2.152 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.843 6.938 -0.681 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.327 5.443 -1.594 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.800 5.727 -3.270 1.00 0.00 H new ATOM 0 HG23 THR A 67 11.461 5.179 -2.940 1.00 0.00 H new ATOM 1002 N CYS A 68 9.560 9.046 -4.586 1.00 0.00 N ATOM 1003 CA CYS A 68 8.357 9.318 -5.380 1.00 0.00 C ATOM 1004 C CYS A 68 8.655 9.411 -6.894 1.00 0.00 C ATOM 1005 O CYS A 68 7.884 8.912 -7.717 1.00 0.00 O ATOM 1006 CB CYS A 68 7.729 10.606 -4.831 1.00 0.00 C ATOM 1007 SG CYS A 68 6.109 11.027 -5.507 1.00 0.00 S ATOM 0 H CYS A 68 9.748 9.757 -3.879 1.00 0.00 H new ATOM 0 HA CYS A 68 7.656 8.489 -5.287 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.639 10.514 -3.749 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.411 11.434 -5.025 1.00 0.00 H new ATOM 1012 N ASN A 69 9.806 9.986 -7.269 1.00 0.00 N ATOM 1013 CA ASN A 69 10.242 10.115 -8.671 1.00 0.00 C ATOM 1014 C ASN A 69 10.990 8.874 -9.180 1.00 0.00 C ATOM 1015 O ASN A 69 10.802 8.484 -10.331 1.00 0.00 O ATOM 1016 CB ASN A 69 11.098 11.383 -8.826 1.00 0.00 C ATOM 1017 CG ASN A 69 10.246 12.634 -8.810 1.00 0.00 C ATOM 1018 OD1 ASN A 69 10.066 13.319 -9.809 1.00 0.00 O ATOM 1019 ND2 ASN A 69 9.666 12.946 -7.679 1.00 0.00 N ATOM 0 H ASN A 69 10.470 10.380 -6.602 1.00 0.00 H new ATOM 0 HA ASN A 69 9.349 10.200 -9.291 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.830 11.430 -8.020 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.656 11.334 -9.761 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.059 13.764 -7.626 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.821 12.371 -6.851 1.00 0.00 H new ATOM 1026 N LYS A 70 11.759 8.206 -8.318 1.00 0.00 N ATOM 1027 CA LYS A 70 12.390 6.896 -8.600 1.00 0.00 C ATOM 1028 C LYS A 70 11.357 5.789 -8.864 1.00 0.00 C ATOM 1029 O LYS A 70 11.645 4.846 -9.604 1.00 0.00 O ATOM 1030 CB LYS A 70 13.341 6.559 -7.436 1.00 0.00 C ATOM 1031 CG LYS A 70 14.143 5.266 -7.643 1.00 0.00 C ATOM 1032 CD LYS A 70 15.173 5.082 -6.517 1.00 0.00 C ATOM 1033 CE LYS A 70 15.955 3.781 -6.723 1.00 0.00 C ATOM 1034 NZ LYS A 70 16.978 3.578 -5.657 1.00 0.00 N ATOM 0 H LYS A 70 11.970 8.559 -7.385 1.00 0.00 H new ATOM 0 HA LYS A 70 12.964 6.961 -9.524 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.035 7.387 -7.296 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.760 6.471 -6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.466 4.412 -7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.651 5.297 -8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.859 5.929 -6.500 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.668 5.062 -5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.264 2.938 -6.729 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.443 3.800 -7.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 17.487 2.688 -5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.652 4.370 -5.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.509 3.535 -4.730 1.00 0.00 H new ATOM 1048 N TYR A 71 10.141 5.946 -8.323 1.00 0.00 N ATOM 1049 CA TYR A 71 9.030 4.979 -8.457 1.00 0.00 C ATOM 1050 C TYR A 71 7.901 5.498 -9.372 1.00 0.00 C ATOM 1051 O TYR A 71 6.892 4.819 -9.589 1.00 0.00 O ATOM 1052 CB TYR A 71 8.545 4.535 -7.066 1.00 0.00 C ATOM 1053 CG TYR A 71 9.502 3.561 -6.397 1.00 0.00 C ATOM 1054 CD1 TYR A 71 10.765 3.995 -5.971 1.00 0.00 C ATOM 1055 CD2 TYR A 71 9.153 2.206 -6.265 1.00 0.00 C ATOM 1056 CE1 TYR A 71 11.690 3.083 -5.424 1.00 0.00 C ATOM 1057 CE2 TYR A 71 10.065 1.285 -5.708 1.00 0.00 C ATOM 1058 CZ TYR A 71 11.342 1.722 -5.298 1.00 0.00 C ATOM 1059 OH TYR A 71 12.251 0.833 -4.813 1.00 0.00 O ATOM 0 H TYR A 71 9.892 6.764 -7.767 1.00 0.00 H new ATOM 0 HA TYR A 71 9.404 4.091 -8.966 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.422 5.412 -6.431 1.00 0.00 H new ATOM 0 HB3 TYR A 71 7.564 4.069 -7.159 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.032 5.038 -6.063 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.181 1.868 -6.592 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.662 3.425 -5.102 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.786 0.248 -5.596 1.00 0.00 H new ATOM 0 HH TYR A 71 11.853 -0.062 -4.789 1.00 0.00 H new ATOM 1069 N GLY A 72 8.108 6.681 -9.959 1.00 0.00 N ATOM 1070 CA GLY A 72 7.284 7.266 -11.029 1.00 0.00 C ATOM 1071 C GLY A 72 5.834 7.568 -10.646 1.00 0.00 C ATOM 1072 O GLY A 72 4.958 7.551 -11.518 1.00 0.00 O ATOM 0 H GLY A 72 8.886 7.285 -9.693 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.754 8.191 -11.363 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.283 6.584 -11.879 1.00 0.00 H new ATOM 1076 N VAL A 73 5.572 7.836 -9.358 1.00 0.00 N ATOM 1077 CA VAL A 73 4.230 8.035 -8.764 1.00 0.00 C ATOM 1078 C VAL A 73 3.396 9.053 -9.553 1.00 0.00 C ATOM 1079 O VAL A 73 2.221 8.806 -9.822 1.00 0.00 O ATOM 1080 CB VAL A 73 4.399 8.462 -7.291 1.00 0.00 C ATOM 1081 CG1 VAL A 73 3.104 8.858 -6.554 1.00 0.00 C ATOM 1082 CG2 VAL A 73 5.074 7.354 -6.472 1.00 0.00 C ATOM 0 H VAL A 73 6.318 7.925 -8.668 1.00 0.00 H new ATOM 0 HA VAL A 73 3.679 7.095 -8.810 1.00 0.00 H new ATOM 0 HB VAL A 73 5.015 9.359 -7.360 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.341 9.140 -5.528 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.639 9.702 -7.064 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.416 8.013 -6.549 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.181 7.680 -5.438 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.463 6.452 -6.507 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.058 7.141 -6.889 1.00 0.00 H new ATOM 1092 N SER A 74 4.018 10.157 -9.992 1.00 0.00 N ATOM 1093 CA SER A 74 3.473 11.217 -10.877 1.00 0.00 C ATOM 1094 C SER A 74 2.265 12.021 -10.344 1.00 0.00 C ATOM 1095 O SER A 74 1.986 13.118 -10.832 1.00 0.00 O ATOM 1096 CB SER A 74 3.158 10.656 -12.272 1.00 0.00 C ATOM 1097 OG SER A 74 4.269 9.970 -12.840 1.00 0.00 O ATOM 0 H SER A 74 4.982 10.354 -9.724 1.00 0.00 H new ATOM 0 HA SER A 74 4.281 11.947 -10.920 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.309 9.976 -12.205 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.861 11.472 -12.931 1.00 0.00 H new ATOM 0 HG SER A 74 4.454 9.160 -12.320 1.00 0.00 H new ATOM 1103 N GLY A 75 1.559 11.509 -9.339 1.00 0.00 N ATOM 1104 CA GLY A 75 0.385 12.060 -8.679 1.00 0.00 C ATOM 1105 C GLY A 75 -0.142 11.015 -7.692 1.00 0.00 C ATOM 1106 O GLY A 75 0.267 9.853 -7.729 1.00 0.00 O ATOM 0 H GLY A 75 1.822 10.613 -8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.640 12.982 -8.157 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.381 12.311 -9.413 1.00 0.00 H new ATOM 1110 N TYR A 76 -1.024 11.409 -6.783 1.00 0.00 N ATOM 1111 CA TYR A 76 -1.456 10.569 -5.658 1.00 0.00 C ATOM 1112 C TYR A 76 -2.880 10.904 -5.158 1.00 0.00 C ATOM 1113 O TYR A 76 -3.368 12.009 -5.424 1.00 0.00 O ATOM 1114 CB TYR A 76 -0.407 10.664 -4.531 1.00 0.00 C ATOM 1115 CG TYR A 76 0.226 12.031 -4.338 1.00 0.00 C ATOM 1116 CD1 TYR A 76 -0.484 13.042 -3.664 1.00 0.00 C ATOM 1117 CD2 TYR A 76 1.494 12.296 -4.882 1.00 0.00 C ATOM 1118 CE1 TYR A 76 0.074 14.329 -3.566 1.00 0.00 C ATOM 1119 CE2 TYR A 76 2.055 13.579 -4.782 1.00 0.00 C ATOM 1120 CZ TYR A 76 1.345 14.605 -4.117 1.00 0.00 C ATOM 1121 OH TYR A 76 1.870 15.853 -3.999 1.00 0.00 O ATOM 0 H TYR A 76 -1.467 12.327 -6.800 1.00 0.00 H new ATOM 0 HA TYR A 76 -1.520 9.538 -6.007 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.878 10.366 -3.594 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.384 9.942 -4.734 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.448 12.831 -3.226 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.040 11.508 -5.380 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.474 15.113 -3.065 1.00 0.00 H new ATOM 0 HE2 TYR A 76 3.025 13.781 -5.211 1.00 0.00 H new ATOM 0 HH TYR A 76 2.750 15.880 -4.429 1.00 0.00 H new ATOM 1131 N PRO A 77 -3.562 9.986 -4.430 1.00 0.00 N ATOM 1132 CA PRO A 77 -3.106 8.658 -3.985 1.00 0.00 C ATOM 1133 C PRO A 77 -2.795 7.680 -5.126 1.00 0.00 C ATOM 1134 O PRO A 77 -3.507 7.628 -6.129 1.00 0.00 O ATOM 1135 CB PRO A 77 -4.219 8.108 -3.087 1.00 0.00 C ATOM 1136 CG PRO A 77 -5.458 8.856 -3.573 1.00 0.00 C ATOM 1137 CD PRO A 77 -4.918 10.226 -3.955 1.00 0.00 C ATOM 0 HA PRO A 77 -2.156 8.766 -3.461 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.330 7.029 -3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -4.019 8.301 -2.033 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.921 8.356 -4.423 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.216 8.926 -2.793 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -5.530 10.688 -4.730 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.921 10.902 -3.100 1.00 0.00 H new ATOM 1145 N THR A 78 -1.728 6.897 -4.944 1.00 0.00 N ATOM 1146 CA THR A 78 -1.194 5.929 -5.915 1.00 0.00 C ATOM 1147 C THR A 78 -0.834 4.634 -5.190 1.00 0.00 C ATOM 1148 O THR A 78 0.080 4.616 -4.366 1.00 0.00 O ATOM 1149 CB THR A 78 -0.003 6.521 -6.681 1.00 0.00 C ATOM 1150 OG1 THR A 78 -0.525 7.309 -7.728 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.924 5.510 -7.367 1.00 0.00 C ATOM 0 H THR A 78 -1.187 6.919 -4.080 1.00 0.00 H new ATOM 0 HA THR A 78 -1.955 5.699 -6.661 1.00 0.00 H new ATOM 0 HB THR A 78 0.585 7.049 -5.931 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.034 8.155 -7.777 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.728 6.041 -7.876 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.348 4.840 -6.619 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.355 4.930 -8.094 1.00 0.00 H new ATOM 1159 N LEU A 79 -1.557 3.550 -5.476 1.00 0.00 N ATOM 1160 CA LEU A 79 -1.361 2.243 -4.835 1.00 0.00 C ATOM 1161 C LEU A 79 -0.680 1.251 -5.793 1.00 0.00 C ATOM 1162 O LEU A 79 -1.016 1.182 -6.980 1.00 0.00 O ATOM 1163 CB LEU A 79 -2.702 1.685 -4.322 1.00 0.00 C ATOM 1164 CG LEU A 79 -3.323 2.438 -3.127 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -4.261 3.580 -3.552 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -4.163 1.472 -2.291 1.00 0.00 C ATOM 0 H LEU A 79 -2.306 3.552 -6.168 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.700 2.381 -3.979 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.417 1.693 -5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.556 0.643 -4.036 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.485 2.856 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.664 4.069 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.705 4.306 -4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.080 3.176 -4.147 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.600 2.006 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.959 1.054 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.530 0.666 -1.921 1.00 0.00 H new ATOM 1178 N LYS A 80 0.268 0.462 -5.277 1.00 0.00 N ATOM 1179 CA LYS A 80 1.087 -0.499 -6.037 1.00 0.00 C ATOM 1180 C LYS A 80 1.367 -1.775 -5.233 1.00 0.00 C ATOM 1181 O LYS A 80 1.452 -1.739 -4.007 1.00 0.00 O ATOM 1182 CB LYS A 80 2.424 0.165 -6.411 1.00 0.00 C ATOM 1183 CG LYS A 80 2.340 1.249 -7.498 1.00 0.00 C ATOM 1184 CD LYS A 80 3.735 1.868 -7.701 1.00 0.00 C ATOM 1185 CE LYS A 80 3.800 2.897 -8.835 1.00 0.00 C ATOM 1186 NZ LYS A 80 3.720 2.252 -10.172 1.00 0.00 N ATOM 0 H LYS A 80 0.497 0.472 -4.283 1.00 0.00 H new ATOM 0 HA LYS A 80 0.531 -0.781 -6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.854 0.608 -5.513 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.114 -0.610 -6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.980 0.818 -8.432 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.626 2.019 -7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.048 2.345 -6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.449 1.070 -7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.983 3.610 -8.726 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.729 3.463 -8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.113 2.893 -10.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.265 1.366 -10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.726 2.045 -10.399 1.00 0.00 H new ATOM 1200 N ILE A 81 1.575 -2.888 -5.935 1.00 0.00 N ATOM 1201 CA ILE A 81 1.919 -4.214 -5.391 1.00 0.00 C ATOM 1202 C ILE A 81 3.344 -4.581 -5.837 1.00 0.00 C ATOM 1203 O ILE A 81 3.702 -4.426 -7.008 1.00 0.00 O ATOM 1204 CB ILE A 81 0.872 -5.268 -5.856 1.00 0.00 C ATOM 1205 CG1 ILE A 81 -0.478 -5.189 -5.103 1.00 0.00 C ATOM 1206 CG2 ILE A 81 1.385 -6.709 -5.665 1.00 0.00 C ATOM 1207 CD1 ILE A 81 -1.379 -3.992 -5.443 1.00 0.00 C ATOM 0 H ILE A 81 1.506 -2.896 -6.953 1.00 0.00 H new ATOM 0 HA ILE A 81 1.895 -4.196 -4.301 1.00 0.00 H new ATOM 0 HB ILE A 81 0.718 -5.029 -6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.035 -6.104 -5.303 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.272 -5.169 -4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.624 -7.414 -6.002 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.295 -6.851 -6.248 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.599 -6.882 -4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.294 -4.046 -4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.854 -3.065 -5.214 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.629 -4.015 -6.504 1.00 0.00 H new ATOM 1219 N PHE A 82 4.134 -5.130 -4.909 1.00 0.00 N ATOM 1220 CA PHE A 82 5.521 -5.563 -5.122 1.00 0.00 C ATOM 1221 C PHE A 82 5.718 -7.003 -4.639 1.00 0.00 C ATOM 1222 O PHE A 82 5.821 -7.261 -3.433 1.00 0.00 O ATOM 1223 CB PHE A 82 6.508 -4.622 -4.408 1.00 0.00 C ATOM 1224 CG PHE A 82 6.562 -3.208 -4.957 1.00 0.00 C ATOM 1225 CD1 PHE A 82 5.533 -2.293 -4.675 1.00 0.00 C ATOM 1226 CD2 PHE A 82 7.641 -2.810 -5.772 1.00 0.00 C ATOM 1227 CE1 PHE A 82 5.567 -1.006 -5.234 1.00 0.00 C ATOM 1228 CE2 PHE A 82 7.654 -1.533 -6.356 1.00 0.00 C ATOM 1229 CZ PHE A 82 6.606 -0.637 -6.105 1.00 0.00 C ATOM 0 H PHE A 82 3.815 -5.291 -3.954 1.00 0.00 H new ATOM 0 HA PHE A 82 5.723 -5.524 -6.192 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.242 -4.575 -3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 82 7.506 -5.056 -4.466 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.717 -2.580 -4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.461 -3.490 -5.948 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.790 -0.295 -4.993 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.472 -1.241 -6.999 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.597 0.333 -6.579 1.00 0.00 H new ATOM 1239 N ARG A 83 5.778 -7.955 -5.576 1.00 0.00 N ATOM 1240 CA ARG A 83 6.097 -9.367 -5.303 1.00 0.00 C ATOM 1241 C ARG A 83 7.593 -9.539 -5.027 1.00 0.00 C ATOM 1242 O ARG A 83 8.426 -9.113 -5.825 1.00 0.00 O ATOM 1243 CB ARG A 83 5.621 -10.229 -6.480 1.00 0.00 C ATOM 1244 CG ARG A 83 5.665 -11.728 -6.144 1.00 0.00 C ATOM 1245 CD ARG A 83 5.106 -12.564 -7.304 1.00 0.00 C ATOM 1246 NE ARG A 83 5.108 -14.006 -6.972 1.00 0.00 N ATOM 1247 CZ ARG A 83 4.576 -14.978 -7.695 1.00 0.00 C ATOM 1248 NH1 ARG A 83 3.969 -14.756 -8.831 1.00 0.00 N ATOM 1249 NH2 ARG A 83 4.641 -16.214 -7.290 1.00 0.00 N ATOM 0 H ARG A 83 5.604 -7.766 -6.563 1.00 0.00 H new ATOM 0 HA ARG A 83 5.574 -9.698 -4.406 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.603 -9.947 -6.749 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.247 -10.033 -7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.692 -12.028 -5.935 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.087 -11.920 -5.240 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.090 -12.242 -7.532 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.703 -12.393 -8.200 1.00 0.00 H new ATOM 0 HE ARG A 83 5.564 -14.277 -6.101 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.892 -13.805 -9.191 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.572 -15.534 -9.358 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.105 -16.438 -6.410 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.228 -16.958 -7.853 1.00 0.00 H new ATOM 1263 N ASP A 84 7.927 -10.142 -3.888 1.00 0.00 N ATOM 1264 CA ASP A 84 9.304 -10.372 -3.409 1.00 0.00 C ATOM 1265 C ASP A 84 10.225 -9.118 -3.421 1.00 0.00 C ATOM 1266 O ASP A 84 11.446 -9.224 -3.552 1.00 0.00 O ATOM 1267 CB ASP A 84 9.880 -11.586 -4.160 1.00 0.00 C ATOM 1268 CG ASP A 84 11.136 -12.180 -3.500 1.00 0.00 C ATOM 1269 OD1 ASP A 84 11.115 -12.459 -2.275 1.00 0.00 O ATOM 1270 OD2 ASP A 84 12.133 -12.444 -4.221 1.00 0.00 O ATOM 0 H ASP A 84 7.224 -10.501 -3.242 1.00 0.00 H new ATOM 0 HA ASP A 84 9.261 -10.597 -2.343 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.114 -12.359 -4.225 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.122 -11.290 -5.181 1.00 0.00 H new ATOM 1275 N GLY A 85 9.641 -7.913 -3.304 1.00 0.00 N ATOM 1276 CA GLY A 85 10.364 -6.635 -3.270 1.00 0.00 C ATOM 1277 C GLY A 85 10.581 -5.969 -4.641 1.00 0.00 C ATOM 1278 O GLY A 85 11.448 -5.102 -4.765 1.00 0.00 O ATOM 0 H GLY A 85 8.630 -7.801 -3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.817 -5.943 -2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 85 11.336 -6.798 -2.805 1.00 0.00 H new ATOM 1282 N GLU A 86 9.816 -6.350 -5.671 1.00 0.00 N ATOM 1283 CA GLU A 86 9.920 -5.856 -7.055 1.00 0.00 C ATOM 1284 C GLU A 86 8.520 -5.648 -7.655 1.00 0.00 C ATOM 1285 O GLU A 86 7.606 -6.427 -7.391 1.00 0.00 O ATOM 1286 CB GLU A 86 10.711 -6.854 -7.931 1.00 0.00 C ATOM 1287 CG GLU A 86 12.181 -7.003 -7.514 1.00 0.00 C ATOM 1288 CD GLU A 86 12.962 -7.861 -8.530 1.00 0.00 C ATOM 1289 OE1 GLU A 86 13.508 -7.302 -9.514 1.00 0.00 O ATOM 1290 OE2 GLU A 86 13.046 -9.102 -8.349 1.00 0.00 O ATOM 0 H GLU A 86 9.074 -7.041 -5.561 1.00 0.00 H new ATOM 0 HA GLU A 86 10.449 -4.903 -7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.227 -7.830 -7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.668 -6.527 -8.970 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.641 -6.018 -7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.238 -7.461 -6.527 1.00 0.00 H new ATOM 1297 N GLU A 87 8.334 -4.581 -8.440 1.00 0.00 N ATOM 1298 CA GLU A 87 7.015 -4.153 -8.945 1.00 0.00 C ATOM 1299 C GLU A 87 6.305 -5.274 -9.728 1.00 0.00 C ATOM 1300 O GLU A 87 6.885 -5.866 -10.650 1.00 0.00 O ATOM 1301 CB GLU A 87 7.154 -2.878 -9.796 1.00 0.00 C ATOM 1302 CG GLU A 87 5.791 -2.270 -10.157 1.00 0.00 C ATOM 1303 CD GLU A 87 5.932 -0.970 -10.967 1.00 0.00 C ATOM 1304 OE1 GLU A 87 6.472 -1.001 -12.098 1.00 0.00 O ATOM 1305 OE2 GLU A 87 5.479 0.096 -10.485 1.00 0.00 O ATOM 0 H GLU A 87 9.099 -3.981 -8.748 1.00 0.00 H new ATOM 0 HA GLU A 87 6.388 -3.926 -8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.745 -2.142 -9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.700 -3.111 -10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.213 -2.994 -10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 87 5.231 -2.068 -9.244 1.00 0.00 H new ATOM 1312 N ALA A 88 5.044 -5.548 -9.371 1.00 0.00 N ATOM 1313 CA ALA A 88 4.269 -6.680 -9.892 1.00 0.00 C ATOM 1314 C ALA A 88 2.818 -6.321 -10.280 1.00 0.00 C ATOM 1315 O ALA A 88 2.160 -7.103 -10.968 1.00 0.00 O ATOM 1316 CB ALA A 88 4.315 -7.804 -8.850 1.00 0.00 C ATOM 0 H ALA A 88 4.526 -4.980 -8.701 1.00 0.00 H new ATOM 0 HA ALA A 88 4.725 -7.004 -10.828 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.745 -8.660 -9.213 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.350 -8.102 -8.682 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.882 -7.450 -7.914 1.00 0.00 H new ATOM 1322 N GLY A 89 2.323 -5.136 -9.893 1.00 0.00 N ATOM 1323 CA GLY A 89 1.048 -4.619 -10.391 1.00 0.00 C ATOM 1324 C GLY A 89 0.606 -3.312 -9.748 1.00 0.00 C ATOM 1325 O GLY A 89 0.387 -3.244 -8.541 1.00 0.00 O ATOM 0 H GLY A 89 2.793 -4.517 -9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.125 -4.472 -11.468 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.276 -5.370 -10.226 1.00 0.00 H new ATOM 1329 N ALA A 90 0.461 -2.255 -10.547 1.00 0.00 N ATOM 1330 CA ALA A 90 -0.198 -1.027 -10.103 1.00 0.00 C ATOM 1331 C ALA A 90 -1.702 -1.315 -9.870 1.00 0.00 C ATOM 1332 O ALA A 90 -2.347 -1.970 -10.696 1.00 0.00 O ATOM 1333 CB ALA A 90 0.037 0.065 -11.151 1.00 0.00 C ATOM 0 H ALA A 90 0.793 -2.225 -11.511 1.00 0.00 H new ATOM 0 HA ALA A 90 0.216 -0.674 -9.158 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.450 0.987 -10.832 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.107 0.239 -11.261 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.379 -0.253 -12.107 1.00 0.00 H new ATOM 1339 N TYR A 91 -2.249 -0.867 -8.737 1.00 0.00 N ATOM 1340 CA TYR A 91 -3.636 -1.144 -8.338 1.00 0.00 C ATOM 1341 C TYR A 91 -4.664 -0.537 -9.318 1.00 0.00 C ATOM 1342 O TYR A 91 -4.427 0.514 -9.924 1.00 0.00 O ATOM 1343 CB TYR A 91 -3.842 -0.617 -6.914 1.00 0.00 C ATOM 1344 CG TYR A 91 -5.189 -0.915 -6.286 1.00 0.00 C ATOM 1345 CD1 TYR A 91 -5.611 -2.247 -6.103 1.00 0.00 C ATOM 1346 CD2 TYR A 91 -6.008 0.149 -5.864 1.00 0.00 C ATOM 1347 CE1 TYR A 91 -6.864 -2.507 -5.507 1.00 0.00 C ATOM 1348 CE2 TYR A 91 -7.244 -0.108 -5.243 1.00 0.00 C ATOM 1349 CZ TYR A 91 -7.683 -1.438 -5.076 1.00 0.00 C ATOM 1350 OH TYR A 91 -8.894 -1.699 -4.504 1.00 0.00 O ATOM 0 H TYR A 91 -1.739 -0.296 -8.063 1.00 0.00 H new ATOM 0 HA TYR A 91 -3.803 -2.221 -8.365 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.064 -1.037 -6.276 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.698 0.463 -6.923 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -4.979 -3.065 -6.417 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -5.686 1.168 -6.018 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.198 -3.526 -5.380 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -7.855 0.711 -4.895 1.00 0.00 H new ATOM 0 HH TYR A 91 -9.385 -0.860 -4.380 1.00 0.00 H new ATOM 1360 N ASP A 92 -5.812 -1.201 -9.475 1.00 0.00 N ATOM 1361 CA ASP A 92 -6.823 -0.904 -10.505 1.00 0.00 C ATOM 1362 C ASP A 92 -8.263 -1.131 -9.987 1.00 0.00 C ATOM 1363 O ASP A 92 -9.125 -1.695 -10.670 1.00 0.00 O ATOM 1364 CB ASP A 92 -6.495 -1.717 -11.768 1.00 0.00 C ATOM 1365 CG ASP A 92 -7.321 -1.290 -12.997 1.00 0.00 C ATOM 1366 OD1 ASP A 92 -7.485 -0.064 -13.232 1.00 0.00 O ATOM 1367 OD2 ASP A 92 -7.768 -2.173 -13.775 1.00 0.00 O ATOM 0 H ASP A 92 -6.076 -1.983 -8.875 1.00 0.00 H new ATOM 0 HA ASP A 92 -6.785 0.155 -10.761 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.435 -1.610 -11.996 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.673 -2.774 -11.568 1.00 0.00 H new ATOM 1372 N GLY A 93 -8.511 -0.718 -8.741 1.00 0.00 N ATOM 1373 CA GLY A 93 -9.802 -0.819 -8.045 1.00 0.00 C ATOM 1374 C GLY A 93 -10.108 0.419 -7.182 1.00 0.00 C ATOM 1375 O GLY A 93 -9.365 1.408 -7.224 1.00 0.00 O ATOM 0 H GLY A 93 -7.790 -0.286 -8.164 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.597 -0.951 -8.779 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.801 -1.707 -7.413 1.00 0.00 H new ATOM 1379 N PRO A 94 -11.200 0.398 -6.392 1.00 0.00 N ATOM 1380 CA PRO A 94 -11.542 1.493 -5.484 1.00 0.00 C ATOM 1381 C PRO A 94 -10.542 1.568 -4.320 1.00 0.00 C ATOM 1382 O PRO A 94 -10.180 0.541 -3.742 1.00 0.00 O ATOM 1383 CB PRO A 94 -12.965 1.187 -5.015 1.00 0.00 C ATOM 1384 CG PRO A 94 -13.072 -0.332 -5.105 1.00 0.00 C ATOM 1385 CD PRO A 94 -12.176 -0.680 -6.294 1.00 0.00 C ATOM 0 HA PRO A 94 -11.492 2.470 -5.966 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -13.133 1.538 -3.997 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -13.706 1.676 -5.647 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.730 -0.814 -4.189 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -14.101 -0.653 -5.269 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.683 -1.640 -6.143 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.759 -0.762 -7.211 1.00 0.00 H new ATOM 1393 N ARG A 95 -10.106 2.779 -3.958 1.00 0.00 N ATOM 1394 CA ARG A 95 -9.203 3.047 -2.820 1.00 0.00 C ATOM 1395 C ARG A 95 -9.955 3.031 -1.476 1.00 0.00 C ATOM 1396 O ARG A 95 -10.010 4.012 -0.740 1.00 0.00 O ATOM 1397 CB ARG A 95 -8.348 4.304 -3.075 1.00 0.00 C ATOM 1398 CG ARG A 95 -9.128 5.596 -3.379 1.00 0.00 C ATOM 1399 CD ARG A 95 -8.144 6.757 -3.569 1.00 0.00 C ATOM 1400 NE ARG A 95 -8.822 8.015 -3.948 1.00 0.00 N ATOM 1401 CZ ARG A 95 -9.204 8.389 -5.155 1.00 0.00 C ATOM 1402 NH1 ARG A 95 -9.071 7.625 -6.204 1.00 0.00 N ATOM 1403 NH2 ARG A 95 -9.734 9.558 -5.345 1.00 0.00 N ATOM 0 H ARG A 95 -10.375 3.626 -4.458 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.488 2.229 -2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.722 4.478 -2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.679 4.101 -3.911 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.731 5.466 -4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.816 5.818 -2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -7.587 6.912 -2.645 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.419 6.493 -4.338 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.017 8.669 -3.190 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.658 6.697 -6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.380 7.955 -7.118 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.858 10.196 -4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -10.026 9.839 -6.281 1.00 0.00 H new ATOM 1417 N THR A 96 -10.567 1.887 -1.191 1.00 0.00 N ATOM 1418 CA THR A 96 -11.374 1.595 0.007 1.00 0.00 C ATOM 1419 C THR A 96 -10.986 0.231 0.577 1.00 0.00 C ATOM 1420 O THR A 96 -10.581 -0.660 -0.171 1.00 0.00 O ATOM 1421 CB THR A 96 -12.884 1.594 -0.295 1.00 0.00 C ATOM 1422 OG1 THR A 96 -13.207 0.643 -1.286 1.00 0.00 O ATOM 1423 CG2 THR A 96 -13.386 2.957 -0.768 1.00 0.00 C ATOM 0 H THR A 96 -10.515 1.087 -1.821 1.00 0.00 H new ATOM 0 HA THR A 96 -11.170 2.385 0.730 1.00 0.00 H new ATOM 0 HB THR A 96 -13.372 1.341 0.646 1.00 0.00 H new ATOM 0 HG1 THR A 96 -14.172 0.663 -1.456 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.456 2.902 -0.967 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.199 3.702 0.005 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.862 3.241 -1.680 1.00 0.00 H new ATOM 1431 N ALA A 97 -11.121 0.048 1.893 1.00 0.00 N ATOM 1432 CA ALA A 97 -10.744 -1.183 2.602 1.00 0.00 C ATOM 1433 C ALA A 97 -11.313 -2.457 1.951 1.00 0.00 C ATOM 1434 O ALA A 97 -10.608 -3.450 1.771 1.00 0.00 O ATOM 1435 CB ALA A 97 -11.212 -1.083 4.062 1.00 0.00 C ATOM 0 H ALA A 97 -11.503 0.765 2.510 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.659 -1.271 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.936 -1.993 4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.738 -0.225 4.538 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.295 -0.960 4.089 1.00 0.00 H new ATOM 1441 N ASP A 98 -12.586 -2.406 1.551 1.00 0.00 N ATOM 1442 CA ASP A 98 -13.288 -3.522 0.906 1.00 0.00 C ATOM 1443 C ASP A 98 -12.719 -3.853 -0.482 1.00 0.00 C ATOM 1444 O ASP A 98 -12.683 -5.024 -0.855 1.00 0.00 O ATOM 1445 CB ASP A 98 -14.786 -3.199 0.789 1.00 0.00 C ATOM 1446 CG ASP A 98 -15.486 -3.115 2.151 1.00 0.00 C ATOM 1447 OD1 ASP A 98 -15.340 -4.053 2.971 1.00 0.00 O ATOM 1448 OD2 ASP A 98 -16.161 -2.094 2.427 1.00 0.00 O ATOM 0 H ASP A 98 -13.168 -1.576 1.667 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.141 -4.400 1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.908 -2.252 0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.271 -3.964 0.183 1.00 0.00 H new ATOM 1453 N GLY A 99 -12.217 -2.854 -1.215 1.00 0.00 N ATOM 1454 CA GLY A 99 -11.491 -3.039 -2.470 1.00 0.00 C ATOM 1455 C GLY A 99 -10.153 -3.768 -2.276 1.00 0.00 C ATOM 1456 O GLY A 99 -9.874 -4.739 -2.979 1.00 0.00 O ATOM 0 H GLY A 99 -12.307 -1.875 -0.944 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.112 -3.605 -3.165 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.308 -2.066 -2.926 1.00 0.00 H new ATOM 1460 N ILE A 100 -9.368 -3.364 -1.268 1.00 0.00 N ATOM 1461 CA ILE A 100 -8.073 -4.003 -0.958 1.00 0.00 C ATOM 1462 C ILE A 100 -8.262 -5.476 -0.568 1.00 0.00 C ATOM 1463 O ILE A 100 -7.575 -6.362 -1.078 1.00 0.00 O ATOM 1464 CB ILE A 100 -7.307 -3.256 0.163 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -7.305 -1.713 0.059 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -5.862 -3.775 0.211 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -6.819 -1.131 -1.275 1.00 0.00 C ATOM 0 H ILE A 100 -9.606 -2.591 -0.646 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.474 -3.950 -1.867 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.850 -3.472 1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.318 -1.355 0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.678 -1.315 0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.315 -3.255 0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.866 -4.845 0.419 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.378 -3.594 -0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.861 -0.043 -1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.792 -1.448 -1.458 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.458 -1.488 -2.082 1.00 0.00 H new ATOM 1479 N VAL A 101 -9.224 -5.752 0.325 1.00 0.00 N ATOM 1480 CA VAL A 101 -9.590 -7.106 0.765 1.00 0.00 C ATOM 1481 C VAL A 101 -10.127 -7.945 -0.398 1.00 0.00 C ATOM 1482 O VAL A 101 -9.661 -9.060 -0.610 1.00 0.00 O ATOM 1483 CB VAL A 101 -10.603 -7.039 1.925 1.00 0.00 C ATOM 1484 CG1 VAL A 101 -11.098 -8.422 2.356 1.00 0.00 C ATOM 1485 CG2 VAL A 101 -9.965 -6.388 3.157 1.00 0.00 C ATOM 0 H VAL A 101 -9.781 -5.024 0.771 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.689 -7.601 1.129 1.00 0.00 H new ATOM 0 HB VAL A 101 -11.444 -6.454 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -11.809 -8.315 3.176 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -11.586 -8.912 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.252 -9.025 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.694 -6.349 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.103 -6.975 3.473 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.644 -5.376 2.909 1.00 0.00 H new ATOM 1495 N SER A 102 -11.043 -7.405 -1.202 1.00 0.00 N ATOM 1496 CA SER A 102 -11.587 -8.110 -2.380 1.00 0.00 C ATOM 1497 C SER A 102 -10.504 -8.491 -3.395 1.00 0.00 C ATOM 1498 O SER A 102 -10.496 -9.618 -3.895 1.00 0.00 O ATOM 1499 CB SER A 102 -12.661 -7.283 -3.100 1.00 0.00 C ATOM 1500 OG SER A 102 -13.749 -7.015 -2.234 1.00 0.00 O ATOM 0 H SER A 102 -11.432 -6.472 -1.063 1.00 0.00 H new ATOM 0 HA SER A 102 -12.033 -9.022 -1.983 1.00 0.00 H new ATOM 0 HB2 SER A 102 -12.230 -6.346 -3.452 1.00 0.00 H new ATOM 0 HB3 SER A 102 -13.014 -7.822 -3.979 1.00 0.00 H new ATOM 0 HG SER A 102 -13.603 -6.159 -1.780 1.00 0.00 H new ATOM 1506 N HIS A 103 -9.549 -7.591 -3.659 1.00 0.00 N ATOM 1507 CA HIS A 103 -8.401 -7.838 -4.528 1.00 0.00 C ATOM 1508 C HIS A 103 -7.527 -9.009 -4.039 1.00 0.00 C ATOM 1509 O HIS A 103 -6.980 -9.737 -4.872 1.00 0.00 O ATOM 1510 CB HIS A 103 -7.613 -6.525 -4.653 1.00 0.00 C ATOM 1511 CG HIS A 103 -6.267 -6.645 -5.315 1.00 0.00 C ATOM 1512 ND1 HIS A 103 -5.992 -6.600 -6.663 1.00 0.00 N ATOM 1513 CD2 HIS A 103 -5.080 -6.818 -4.661 1.00 0.00 C ATOM 1514 CE1 HIS A 103 -4.663 -6.753 -6.823 1.00 0.00 C ATOM 1515 NE2 HIS A 103 -4.063 -6.888 -5.628 1.00 0.00 N ATOM 0 H HIS A 103 -9.557 -6.651 -3.264 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.750 -8.150 -5.512 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -8.214 -5.811 -5.216 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.474 -6.107 -3.656 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.947 -6.888 -3.592 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -4.153 -6.765 -7.775 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.066 -7.016 -5.457 1.00 0.00 H new ATOM 1523 N LEU A 104 -7.423 -9.239 -2.722 1.00 0.00 N ATOM 1524 CA LEU A 104 -6.772 -10.426 -2.156 1.00 0.00 C ATOM 1525 C LEU A 104 -7.657 -11.679 -2.274 1.00 0.00 C ATOM 1526 O LEU A 104 -7.209 -12.699 -2.799 1.00 0.00 O ATOM 1527 CB LEU A 104 -6.374 -10.128 -0.689 1.00 0.00 C ATOM 1528 CG LEU A 104 -5.636 -11.237 0.097 1.00 0.00 C ATOM 1529 CD1 LEU A 104 -6.568 -12.314 0.666 1.00 0.00 C ATOM 1530 CD2 LEU A 104 -4.498 -11.879 -0.696 1.00 0.00 C ATOM 0 H LEU A 104 -7.791 -8.601 -2.016 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.871 -10.647 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.743 -9.239 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.281 -9.876 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.196 -10.713 0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.979 -13.057 1.204 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -7.282 -11.853 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.106 -12.798 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.021 -12.649 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.897 -12.329 -1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.764 -11.118 -0.960 1.00 0.00 H new ATOM 1542 N LYS A 105 -8.916 -11.622 -1.823 1.00 0.00 N ATOM 1543 CA LYS A 105 -9.811 -12.800 -1.776 1.00 0.00 C ATOM 1544 C LYS A 105 -10.043 -13.451 -3.144 1.00 0.00 C ATOM 1545 O LYS A 105 -10.171 -14.671 -3.242 1.00 0.00 O ATOM 1546 CB LYS A 105 -11.160 -12.414 -1.136 1.00 0.00 C ATOM 1547 CG LYS A 105 -11.000 -12.078 0.355 1.00 0.00 C ATOM 1548 CD LYS A 105 -12.322 -11.741 1.055 1.00 0.00 C ATOM 1549 CE LYS A 105 -13.255 -12.956 1.149 1.00 0.00 C ATOM 1550 NZ LYS A 105 -14.493 -12.642 1.903 1.00 0.00 N ATOM 0 H LYS A 105 -9.348 -10.764 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.305 -13.547 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.580 -11.556 -1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.867 -13.236 -1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.536 -12.924 0.862 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -10.319 -11.233 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.115 -11.366 2.057 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.825 -10.940 0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -13.516 -13.293 0.146 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.732 -13.779 1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.098 -13.487 1.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.246 -12.345 2.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.005 -11.873 1.425 1.00 0.00 H new ATOM 1564 N LYS A 106 -10.050 -12.635 -4.200 1.00 0.00 N ATOM 1565 CA LYS A 106 -10.206 -13.060 -5.605 1.00 0.00 C ATOM 1566 C LYS A 106 -9.028 -13.867 -6.177 1.00 0.00 C ATOM 1567 O LYS A 106 -9.189 -14.474 -7.238 1.00 0.00 O ATOM 1568 CB LYS A 106 -10.498 -11.828 -6.482 1.00 0.00 C ATOM 1569 CG LYS A 106 -11.938 -11.312 -6.278 1.00 0.00 C ATOM 1570 CD LYS A 106 -12.228 -9.982 -7.005 1.00 0.00 C ATOM 1571 CE LYS A 106 -12.777 -10.132 -8.435 1.00 0.00 C ATOM 1572 NZ LYS A 106 -11.759 -10.607 -9.417 1.00 0.00 N ATOM 0 H LYS A 106 -9.944 -11.625 -4.104 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.046 -13.754 -5.618 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.790 -11.035 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.348 -12.084 -7.531 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.639 -12.069 -6.630 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.120 -11.180 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.944 -9.411 -6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.309 -9.398 -7.044 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.613 -10.832 -8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.170 -9.171 -8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.122 -10.478 -10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.882 -10.060 -9.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -11.562 -11.615 -9.253 1.00 0.00 H new ATOM 1586 N GLN A 107 -7.878 -13.918 -5.489 1.00 0.00 N ATOM 1587 CA GLN A 107 -6.678 -14.662 -5.910 1.00 0.00 C ATOM 1588 C GLN A 107 -6.167 -15.679 -4.879 1.00 0.00 C ATOM 1589 O GLN A 107 -5.629 -16.726 -5.257 1.00 0.00 O ATOM 1590 CB GLN A 107 -5.574 -13.668 -6.284 1.00 0.00 C ATOM 1591 CG GLN A 107 -5.123 -12.694 -5.182 1.00 0.00 C ATOM 1592 CD GLN A 107 -4.038 -11.733 -5.660 1.00 0.00 C ATOM 1593 OE1 GLN A 107 -2.919 -12.115 -5.982 1.00 0.00 O ATOM 1594 NE2 GLN A 107 -4.318 -10.450 -5.713 1.00 0.00 N ATOM 0 H GLN A 107 -7.752 -13.431 -4.602 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.968 -15.258 -6.775 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -4.704 -14.234 -6.616 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -5.917 -13.082 -7.137 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.983 -12.122 -4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.751 -13.262 -4.329 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.246 -10.119 -5.448 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -3.608 -9.785 -6.019 1.00 0.00 H new ATOM 1603 N ALA A 108 -6.353 -15.394 -3.586 1.00 0.00 N ATOM 1604 CA ALA A 108 -5.883 -16.230 -2.467 1.00 0.00 C ATOM 1605 C ALA A 108 -7.000 -17.020 -1.741 1.00 0.00 C ATOM 1606 O ALA A 108 -6.710 -17.775 -0.806 1.00 0.00 O ATOM 1607 CB ALA A 108 -5.099 -15.333 -1.502 1.00 0.00 C ATOM 0 H ALA A 108 -6.846 -14.556 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.241 -17.009 -2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.739 -15.928 -0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.250 -14.891 -2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -5.750 -14.541 -1.132 1.00 0.00 H new