USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 641 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 NoAdj-H: A 48 HIS HD1 : A 48 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.174 K(o=-0.17,f=-4.4!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 60:sc= 0.159 USER MOD Single : A 27 MET CE :methyl -167:sc= -0.273 (180deg=-0.704) USER MOD Single : A 30 HIS :FLIP no HE2:sc= -0.0636 F(o=-0.86,f=-0.064) USER MOD Single : A 32 ASN : amide:sc= -0.69 K(o=-0.69,f=-2.4!) USER MOD Single : A 33 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.9!) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= -0.0951 (180deg=-0.437) USER MOD Single : A 46 SER OG : rot -54:sc= -0.595 USER MOD Single : A 53 ASN : amide:sc= -4.23! C(o=-4.2!,f=-12!) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.93 X(o=-0.93,f=-0.53) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -125:sc= -1.29 (180deg=-8.72!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 113:sc= 0.148 USER MOD Single : A 81 LYS NZ :NH3+ -157:sc= -0.0327 (180deg=-0.701) USER MOD Single : A 85 SER OG : rot 31:sc= 0.0492 USER MOD Single : A 88 SER OG : rot 120:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.600 19.059 25.856 1.00 0.00 N ATOM 2 CA GLY A 1 -7.558 19.907 25.307 1.00 0.00 C ATOM 3 C GLY A 1 -6.186 19.571 25.858 1.00 0.00 C ATOM 4 O GLY A 1 -5.795 20.067 26.915 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.518 19.329 25.448 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.397 18.066 25.625 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.633 19.174 26.889 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.545 19.805 24.222 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.789 20.949 25.527 1.00 0.00 H new ATOM 8 N SER A 2 -5.454 18.724 25.142 1.00 0.00 N ATOM 9 CA SER A 2 -4.120 18.317 25.569 1.00 0.00 C ATOM 10 C SER A 2 -3.068 18.760 24.557 1.00 0.00 C ATOM 11 O SER A 2 -3.289 18.698 23.347 1.00 0.00 O ATOM 12 CB SER A 2 -4.061 16.799 25.752 1.00 0.00 C ATOM 13 OG SER A 2 -4.546 16.421 27.029 1.00 0.00 O ATOM 0 H SER A 2 -5.762 18.306 24.264 1.00 0.00 H new ATOM 0 HA SER A 2 -3.907 18.799 26.523 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.652 16.313 24.976 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.034 16.455 25.633 1.00 0.00 H new ATOM 0 HG SER A 2 -4.500 15.446 27.121 1.00 0.00 H new ATOM 19 N SER A 3 -1.922 19.206 25.061 1.00 0.00 N ATOM 20 CA SER A 3 -0.835 19.663 24.202 1.00 0.00 C ATOM 21 C SER A 3 0.451 18.898 24.500 1.00 0.00 C ATOM 22 O SER A 3 0.721 18.536 25.644 1.00 0.00 O ATOM 23 CB SER A 3 -0.605 21.164 24.391 1.00 0.00 C ATOM 24 OG SER A 3 -1.812 21.889 24.233 1.00 0.00 O ATOM 0 H SER A 3 -1.722 19.261 26.060 1.00 0.00 H new ATOM 0 HA SER A 3 -1.118 19.473 23.167 1.00 0.00 H new ATOM 0 HB2 SER A 3 -0.193 21.350 25.383 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.131 21.516 23.669 1.00 0.00 H new ATOM 0 HG SER A 3 -1.638 22.845 24.360 1.00 0.00 H new ATOM 30 N GLY A 4 1.241 18.655 23.459 1.00 0.00 N ATOM 31 CA GLY A 4 2.490 17.934 23.628 1.00 0.00 C ATOM 32 C GLY A 4 2.705 16.888 22.552 1.00 0.00 C ATOM 33 O GLY A 4 1.752 16.272 22.076 1.00 0.00 O ATOM 0 H GLY A 4 1.039 18.944 22.502 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.319 18.641 23.614 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.499 17.452 24.606 1.00 0.00 H new ATOM 37 N SER A 5 3.962 16.688 22.167 1.00 0.00 N ATOM 38 CA SER A 5 4.299 15.713 21.136 1.00 0.00 C ATOM 39 C SER A 5 5.215 14.628 21.694 1.00 0.00 C ATOM 40 O SER A 5 5.959 14.858 22.647 1.00 0.00 O ATOM 41 CB SER A 5 4.974 16.406 19.950 1.00 0.00 C ATOM 42 OG SER A 5 4.023 17.086 19.149 1.00 0.00 O ATOM 0 H SER A 5 4.763 17.188 22.553 1.00 0.00 H new ATOM 0 HA SER A 5 3.375 15.245 20.796 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.720 17.113 20.314 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.502 15.668 19.346 1.00 0.00 H new ATOM 0 HG SER A 5 4.479 17.522 18.399 1.00 0.00 H new ATOM 48 N SER A 6 5.155 13.445 21.092 1.00 0.00 N ATOM 49 CA SER A 6 5.975 12.321 21.529 1.00 0.00 C ATOM 50 C SER A 6 7.019 11.968 20.475 1.00 0.00 C ATOM 51 O SER A 6 6.847 12.259 19.292 1.00 0.00 O ATOM 52 CB SER A 6 5.096 11.104 21.822 1.00 0.00 C ATOM 53 OG SER A 6 4.405 11.256 23.049 1.00 0.00 O ATOM 0 H SER A 6 4.547 13.240 20.300 1.00 0.00 H new ATOM 0 HA SER A 6 6.492 12.614 22.443 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.379 10.966 21.012 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.713 10.206 21.858 1.00 0.00 H new ATOM 0 HG SER A 6 3.849 10.465 23.212 1.00 0.00 H new ATOM 59 N GLY A 7 8.105 11.337 20.914 1.00 0.00 N ATOM 60 CA GLY A 7 9.162 10.954 19.996 1.00 0.00 C ATOM 61 C GLY A 7 9.200 9.459 19.748 1.00 0.00 C ATOM 62 O GLY A 7 9.774 8.707 20.535 1.00 0.00 O ATOM 0 H GLY A 7 8.271 11.085 21.888 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.022 11.473 19.048 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.123 11.277 20.397 1.00 0.00 H new ATOM 66 N ASP A 8 8.587 9.028 18.651 1.00 0.00 N ATOM 67 CA ASP A 8 8.552 7.612 18.301 1.00 0.00 C ATOM 68 C ASP A 8 8.922 7.406 16.836 1.00 0.00 C ATOM 69 O ASP A 8 8.164 7.770 15.938 1.00 0.00 O ATOM 70 CB ASP A 8 7.165 7.031 18.577 1.00 0.00 C ATOM 71 CG ASP A 8 6.911 6.812 20.055 1.00 0.00 C ATOM 72 OD1 ASP A 8 7.857 6.415 20.767 1.00 0.00 O ATOM 73 OD2 ASP A 8 5.767 7.040 20.501 1.00 0.00 O ATOM 0 H ASP A 8 8.108 9.638 17.989 1.00 0.00 H new ATOM 0 HA ASP A 8 9.284 7.092 18.918 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.407 7.704 18.177 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.060 6.083 18.049 1.00 0.00 H new ATOM 78 N GLN A 9 10.093 6.820 16.604 1.00 0.00 N ATOM 79 CA GLN A 9 10.564 6.567 15.247 1.00 0.00 C ATOM 80 C GLN A 9 9.656 5.571 14.533 1.00 0.00 C ATOM 81 O GLN A 9 9.391 4.482 15.042 1.00 0.00 O ATOM 82 CB GLN A 9 11.999 6.040 15.273 1.00 0.00 C ATOM 83 CG GLN A 9 13.005 7.039 15.822 1.00 0.00 C ATOM 84 CD GLN A 9 14.276 6.377 16.315 1.00 0.00 C ATOM 85 OE1 GLN A 9 14.809 5.473 15.671 1.00 0.00 O ATOM 86 NE2 GLN A 9 14.770 6.825 17.463 1.00 0.00 N ATOM 0 H GLN A 9 10.732 6.512 17.337 1.00 0.00 H new ATOM 0 HA GLN A 9 10.541 7.509 14.699 1.00 0.00 H new ATOM 0 HB2 GLN A 9 12.033 5.133 15.877 1.00 0.00 H new ATOM 0 HB3 GLN A 9 12.293 5.760 14.261 1.00 0.00 H new ATOM 0 HG2 GLN A 9 13.254 7.762 15.045 1.00 0.00 H new ATOM 0 HG3 GLN A 9 12.549 7.596 16.641 1.00 0.00 H new ATOM 0 HE21 GLN A 9 14.296 7.576 17.964 1.00 0.00 H new ATOM 0 HE22 GLN A 9 15.624 6.418 17.844 1.00 0.00 H new ATOM 95 N ASP A 10 9.183 5.952 13.351 1.00 0.00 N ATOM 96 CA ASP A 10 8.306 5.091 12.566 1.00 0.00 C ATOM 97 C ASP A 10 8.476 5.358 11.074 1.00 0.00 C ATOM 98 O ASP A 10 8.491 6.508 10.635 1.00 0.00 O ATOM 99 CB ASP A 10 6.847 5.308 12.972 1.00 0.00 C ATOM 100 CG ASP A 10 6.406 6.749 12.799 1.00 0.00 C ATOM 101 OD1 ASP A 10 7.275 7.645 12.846 1.00 0.00 O ATOM 102 OD2 ASP A 10 5.193 6.979 12.616 1.00 0.00 O ATOM 0 H ASP A 10 9.392 6.851 12.916 1.00 0.00 H new ATOM 0 HA ASP A 10 8.581 4.055 12.765 1.00 0.00 H new ATOM 0 HB2 ASP A 10 6.206 4.661 12.373 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.715 5.013 14.013 1.00 0.00 H new ATOM 107 N THR A 11 8.607 4.286 10.298 1.00 0.00 N ATOM 108 CA THR A 11 8.779 4.404 8.855 1.00 0.00 C ATOM 109 C THR A 11 7.546 5.017 8.202 1.00 0.00 C ATOM 110 O THR A 11 6.416 4.758 8.620 1.00 0.00 O ATOM 111 CB THR A 11 9.061 3.034 8.210 1.00 0.00 C ATOM 112 OG1 THR A 11 10.126 2.375 8.904 1.00 0.00 O ATOM 113 CG2 THR A 11 9.427 3.193 6.742 1.00 0.00 C ATOM 0 H THR A 11 8.597 3.327 10.645 1.00 0.00 H new ATOM 0 HA THR A 11 9.635 5.058 8.691 1.00 0.00 H new ATOM 0 HB THR A 11 8.156 2.431 8.280 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.298 1.504 8.489 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.622 2.213 6.307 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.602 3.668 6.211 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.320 3.813 6.655 1.00 0.00 H new ATOM 121 N LEU A 12 7.768 5.829 7.175 1.00 0.00 N ATOM 122 CA LEU A 12 6.673 6.479 6.462 1.00 0.00 C ATOM 123 C LEU A 12 5.525 5.504 6.223 1.00 0.00 C ATOM 124 O LEU A 12 4.355 5.888 6.246 1.00 0.00 O ATOM 125 CB LEU A 12 7.168 7.039 5.128 1.00 0.00 C ATOM 126 CG LEU A 12 8.002 8.318 5.205 1.00 0.00 C ATOM 127 CD1 LEU A 12 9.375 8.026 5.791 1.00 0.00 C ATOM 128 CD2 LEU A 12 8.133 8.954 3.828 1.00 0.00 C ATOM 0 H LEU A 12 8.696 6.053 6.817 1.00 0.00 H new ATOM 0 HA LEU A 12 6.306 7.299 7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.762 6.271 4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.302 7.231 4.494 1.00 0.00 H new ATOM 0 HG LEU A 12 7.491 9.022 5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.954 8.948 5.838 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.263 7.617 6.795 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.894 7.304 5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.730 9.863 3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.621 8.254 3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.143 9.200 3.445 1.00 0.00 H new ATOM 140 N VAL A 13 5.866 4.240 5.995 1.00 0.00 N ATOM 141 CA VAL A 13 4.864 3.208 5.755 1.00 0.00 C ATOM 142 C VAL A 13 3.605 3.463 6.577 1.00 0.00 C ATOM 143 O VAL A 13 3.651 3.493 7.806 1.00 0.00 O ATOM 144 CB VAL A 13 5.408 1.807 6.091 1.00 0.00 C ATOM 145 CG1 VAL A 13 4.317 0.759 5.938 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.604 1.476 5.212 1.00 0.00 C ATOM 0 H VAL A 13 6.829 3.906 5.971 1.00 0.00 H new ATOM 0 HA VAL A 13 4.617 3.248 4.694 1.00 0.00 H new ATOM 0 HB VAL A 13 5.737 1.804 7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.721 -0.224 6.180 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.494 0.990 6.614 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.954 0.759 4.910 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.976 0.483 5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.303 1.497 4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.392 2.211 5.378 1.00 0.00 H new ATOM 156 N GLN A 14 2.483 3.646 5.889 1.00 0.00 N ATOM 157 CA GLN A 14 1.211 3.899 6.556 1.00 0.00 C ATOM 158 C GLN A 14 0.239 2.745 6.330 1.00 0.00 C ATOM 159 O GLN A 14 0.557 1.781 5.634 1.00 0.00 O ATOM 160 CB GLN A 14 0.597 5.205 6.051 1.00 0.00 C ATOM 161 CG GLN A 14 1.459 6.428 6.323 1.00 0.00 C ATOM 162 CD GLN A 14 0.687 7.726 6.196 1.00 0.00 C ATOM 163 OE1 GLN A 14 -0.048 8.117 7.103 1.00 0.00 O ATOM 164 NE2 GLN A 14 0.850 8.403 5.065 1.00 0.00 N ATOM 0 H GLN A 14 2.429 3.624 4.871 1.00 0.00 H new ATOM 0 HA GLN A 14 1.401 3.986 7.626 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.424 5.124 4.978 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.376 5.345 6.521 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.879 6.356 7.326 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.298 6.439 5.627 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.469 8.042 4.339 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.356 9.284 4.922 1.00 0.00 H new ATOM 173 N ARG A 15 -0.946 2.852 6.923 1.00 0.00 N ATOM 174 CA ARG A 15 -1.963 1.817 6.787 1.00 0.00 C ATOM 175 C ARG A 15 -3.342 2.434 6.572 1.00 0.00 C ATOM 176 O ARG A 15 -3.824 3.205 7.401 1.00 0.00 O ATOM 177 CB ARG A 15 -1.981 0.923 8.028 1.00 0.00 C ATOM 178 CG ARG A 15 -0.771 0.011 8.139 1.00 0.00 C ATOM 179 CD ARG A 15 -0.975 -1.059 9.201 1.00 0.00 C ATOM 180 NE ARG A 15 -0.562 -0.601 10.525 1.00 0.00 N ATOM 181 CZ ARG A 15 -1.053 -1.090 11.658 1.00 0.00 C ATOM 182 NH1 ARG A 15 -1.969 -2.048 11.629 1.00 0.00 N ATOM 183 NH2 ARG A 15 -0.627 -0.622 12.825 1.00 0.00 N ATOM 0 H ARG A 15 -1.225 3.644 7.502 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.715 1.212 5.915 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.035 1.551 8.917 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.885 0.314 8.013 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.581 -0.462 7.176 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.111 0.603 8.382 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.026 -1.347 9.228 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.407 -1.950 8.932 1.00 0.00 H new ATOM 0 HE ARG A 15 0.142 0.135 10.583 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.299 -2.412 10.735 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.344 -2.421 12.501 1.00 0.00 H new ATOM 0 HH21 ARG A 15 0.078 0.114 12.852 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.005 -0.999 13.694 1.00 0.00 H new ATOM 197 N ALA A 16 -3.971 2.091 5.453 1.00 0.00 N ATOM 198 CA ALA A 16 -5.294 2.610 5.129 1.00 0.00 C ATOM 199 C ALA A 16 -6.370 1.932 5.970 1.00 0.00 C ATOM 200 O ALA A 16 -6.365 0.713 6.135 1.00 0.00 O ATOM 201 CB ALA A 16 -5.585 2.426 3.647 1.00 0.00 C ATOM 0 H ALA A 16 -3.585 1.455 4.755 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.306 3.675 5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.576 2.818 3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.839 2.962 3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.548 1.365 3.398 1.00 0.00 H new ATOM 207 N GLU A 17 -7.291 2.731 6.500 1.00 0.00 N ATOM 208 CA GLU A 17 -8.373 2.206 7.325 1.00 0.00 C ATOM 209 C GLU A 17 -9.443 1.543 6.463 1.00 0.00 C ATOM 210 O GLU A 17 -10.010 2.168 5.567 1.00 0.00 O ATOM 211 CB GLU A 17 -8.998 3.327 8.159 1.00 0.00 C ATOM 212 CG GLU A 17 -9.699 2.834 9.414 1.00 0.00 C ATOM 213 CD GLU A 17 -9.896 3.932 10.441 1.00 0.00 C ATOM 214 OE1 GLU A 17 -10.350 5.030 10.056 1.00 0.00 O ATOM 215 OE2 GLU A 17 -9.598 3.693 11.630 1.00 0.00 O ATOM 0 H GLU A 17 -7.310 3.743 6.373 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.953 1.455 7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.219 4.035 8.442 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.714 3.871 7.543 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.669 2.416 9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.116 2.027 9.858 1.00 0.00 H new ATOM 222 N HIS A 18 -9.713 0.271 6.740 1.00 0.00 N ATOM 223 CA HIS A 18 -10.714 -0.479 5.990 1.00 0.00 C ATOM 224 C HIS A 18 -12.121 -0.134 6.467 1.00 0.00 C ATOM 225 O HIS A 18 -12.507 -0.470 7.587 1.00 0.00 O ATOM 226 CB HIS A 18 -10.469 -1.981 6.132 1.00 0.00 C ATOM 227 CG HIS A 18 -9.280 -2.469 5.363 1.00 0.00 C ATOM 228 ND1 HIS A 18 -9.333 -3.537 4.492 1.00 0.00 N ATOM 229 CD2 HIS A 18 -8.000 -2.029 5.338 1.00 0.00 C ATOM 230 CE1 HIS A 18 -8.137 -3.732 3.965 1.00 0.00 C ATOM 231 NE2 HIS A 18 -7.311 -2.830 4.462 1.00 0.00 N ATOM 0 H HIS A 18 -9.253 -0.262 7.478 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.627 -0.202 4.939 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.333 -2.220 7.187 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.355 -2.519 5.795 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.596 -1.202 5.902 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -7.879 -4.499 3.249 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.321 -2.743 4.232 1.00 0.00 H new ATOM 240 N ILE A 19 -12.883 0.540 5.611 1.00 0.00 N ATOM 241 CA ILE A 19 -14.247 0.930 5.946 1.00 0.00 C ATOM 242 C ILE A 19 -15.256 -0.071 5.395 1.00 0.00 C ATOM 243 O ILE A 19 -15.318 -0.329 4.192 1.00 0.00 O ATOM 244 CB ILE A 19 -14.581 2.332 5.403 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.602 3.366 5.962 1.00 0.00 C ATOM 246 CG2 ILE A 19 -16.013 2.707 5.751 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.530 3.375 7.473 1.00 0.00 C ATOM 0 H ILE A 19 -12.579 0.827 4.681 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.313 0.946 7.034 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.484 2.318 4.317 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.608 3.168 5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.895 4.357 5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.234 3.700 5.361 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.697 1.983 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -16.136 2.707 6.834 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.817 4.132 7.799 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.514 3.603 7.883 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.207 2.396 7.828 1.00 0.00 H new ATOM 259 N PRO A 20 -16.068 -0.649 6.292 1.00 0.00 N ATOM 260 CA PRO A 20 -17.091 -1.630 5.919 1.00 0.00 C ATOM 261 C PRO A 20 -18.240 -0.999 5.140 1.00 0.00 C ATOM 262 O PRO A 20 -18.337 0.223 5.039 1.00 0.00 O ATOM 263 CB PRO A 20 -17.586 -2.158 7.267 1.00 0.00 C ATOM 264 CG PRO A 20 -17.304 -1.058 8.232 1.00 0.00 C ATOM 265 CD PRO A 20 -16.049 -0.390 7.742 1.00 0.00 C ATOM 0 HA PRO A 20 -16.693 -2.405 5.263 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.650 -2.392 7.234 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.067 -3.074 7.548 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.133 -0.351 8.271 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.170 -1.448 9.241 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.051 0.678 7.959 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.160 -0.809 8.213 1.00 0.00 H new ATOM 273 N ALA A 21 -19.110 -1.842 4.591 1.00 0.00 N ATOM 274 CA ALA A 21 -20.254 -1.367 3.823 1.00 0.00 C ATOM 275 C ALA A 21 -21.344 -0.825 4.741 1.00 0.00 C ATOM 276 O ALA A 21 -21.452 -1.229 5.899 1.00 0.00 O ATOM 277 CB ALA A 21 -20.804 -2.484 2.949 1.00 0.00 C ATOM 0 H ALA A 21 -19.044 -2.857 4.664 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.917 -0.552 3.182 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.658 -2.115 2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.029 -2.822 2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.119 -3.317 3.578 1.00 0.00 H new ATOM 283 N GLY A 22 -22.151 0.093 4.218 1.00 0.00 N ATOM 284 CA GLY A 22 -23.222 0.675 5.005 1.00 0.00 C ATOM 285 C GLY A 22 -22.711 1.646 6.051 1.00 0.00 C ATOM 286 O GLY A 22 -23.177 1.645 7.190 1.00 0.00 O ATOM 0 H GLY A 22 -22.082 0.444 3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.916 1.192 4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.782 -0.121 5.495 1.00 0.00 H new ATOM 290 N LYS A 23 -21.748 2.476 5.665 1.00 0.00 N ATOM 291 CA LYS A 23 -21.171 3.456 6.578 1.00 0.00 C ATOM 292 C LYS A 23 -21.138 4.841 5.938 1.00 0.00 C ATOM 293 O LYS A 23 -21.686 5.799 6.482 1.00 0.00 O ATOM 294 CB LYS A 23 -19.757 3.036 6.984 1.00 0.00 C ATOM 295 CG LYS A 23 -19.724 2.036 8.127 1.00 0.00 C ATOM 296 CD LYS A 23 -19.916 2.719 9.471 1.00 0.00 C ATOM 297 CE LYS A 23 -20.482 1.760 10.507 1.00 0.00 C ATOM 298 NZ LYS A 23 -20.039 2.109 11.885 1.00 0.00 N ATOM 0 H LYS A 23 -21.350 2.490 4.726 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.799 3.500 7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.253 2.604 6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -19.192 3.923 7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -20.506 1.290 7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.772 1.505 8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.961 3.112 9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.588 3.570 9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -21.571 1.776 10.460 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.168 0.743 10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.446 1.432 12.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.001 2.069 11.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.361 3.070 12.120 1.00 0.00 H new ATOM 312 N ARG A 24 -20.492 4.937 4.781 1.00 0.00 N ATOM 313 CA ARG A 24 -20.387 6.205 4.067 1.00 0.00 C ATOM 314 C ARG A 24 -20.198 5.972 2.571 1.00 0.00 C ATOM 315 O ARG A 24 -19.570 4.997 2.157 1.00 0.00 O ATOM 316 CB ARG A 24 -19.222 7.029 4.618 1.00 0.00 C ATOM 317 CG ARG A 24 -19.022 8.354 3.900 1.00 0.00 C ATOM 318 CD ARG A 24 -17.558 8.766 3.889 1.00 0.00 C ATOM 319 NE ARG A 24 -17.173 9.453 5.120 1.00 0.00 N ATOM 320 CZ ARG A 24 -15.940 9.440 5.613 1.00 0.00 C ATOM 321 NH1 ARG A 24 -14.977 8.780 4.985 1.00 0.00 N ATOM 322 NH2 ARG A 24 -15.668 10.090 6.738 1.00 0.00 N ATOM 0 H ARG A 24 -20.033 4.153 4.318 1.00 0.00 H new ATOM 0 HA ARG A 24 -21.315 6.756 4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -19.393 7.221 5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.306 6.443 4.544 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -19.386 8.273 2.876 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.615 9.127 4.389 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.934 7.882 3.757 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -17.372 9.419 3.036 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.890 9.971 5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.182 8.280 4.120 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.031 8.772 5.367 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.406 10.599 7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.721 10.080 7.117 1.00 0.00 H new ATOM 336 N THR A 25 -20.747 6.875 1.764 1.00 0.00 N ATOM 337 CA THR A 25 -20.640 6.768 0.314 1.00 0.00 C ATOM 338 C THR A 25 -19.752 7.868 -0.255 1.00 0.00 C ATOM 339 O THR A 25 -20.203 8.746 -0.991 1.00 0.00 O ATOM 340 CB THR A 25 -22.025 6.843 -0.358 1.00 0.00 C ATOM 341 OG1 THR A 25 -22.724 8.010 0.090 1.00 0.00 O ATOM 342 CG2 THR A 25 -22.846 5.602 -0.045 1.00 0.00 C ATOM 0 H THR A 25 -21.270 7.688 2.090 1.00 0.00 H new ATOM 0 HA THR A 25 -20.192 5.797 0.101 1.00 0.00 H new ATOM 0 HB THR A 25 -21.879 6.899 -1.437 1.00 0.00 H new ATOM 0 HG1 THR A 25 -22.210 8.810 -0.147 1.00 0.00 H new ATOM 0 HG21 THR A 25 -23.819 5.678 -0.530 1.00 0.00 H new ATOM 0 HG22 THR A 25 -22.325 4.718 -0.413 1.00 0.00 H new ATOM 0 HG23 THR A 25 -22.983 5.519 1.033 1.00 0.00 H new ATOM 350 N PRO A 26 -18.457 7.822 0.092 1.00 0.00 N ATOM 351 CA PRO A 26 -17.477 8.807 -0.375 1.00 0.00 C ATOM 352 C PRO A 26 -17.184 8.673 -1.865 1.00 0.00 C ATOM 353 O PRO A 26 -17.481 7.646 -2.475 1.00 0.00 O ATOM 354 CB PRO A 26 -16.227 8.482 0.447 1.00 0.00 C ATOM 355 CG PRO A 26 -16.373 7.043 0.805 1.00 0.00 C ATOM 356 CD PRO A 26 -17.849 6.804 0.965 1.00 0.00 C ATOM 0 HA PRO A 26 -17.834 9.829 -0.247 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -15.318 8.657 -0.129 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.165 9.107 1.338 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -15.956 6.403 0.027 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.838 6.814 1.727 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -18.128 5.795 0.660 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.165 6.923 2.001 1.00 0.00 H new ATOM 364 N MET A 27 -16.600 9.716 -2.445 1.00 0.00 N ATOM 365 CA MET A 27 -16.265 9.712 -3.865 1.00 0.00 C ATOM 366 C MET A 27 -14.840 9.214 -4.087 1.00 0.00 C ATOM 367 O MET A 27 -13.883 9.792 -3.571 1.00 0.00 O ATOM 368 CB MET A 27 -16.424 11.116 -4.452 1.00 0.00 C ATOM 369 CG MET A 27 -17.806 11.382 -5.026 1.00 0.00 C ATOM 370 SD MET A 27 -18.144 10.405 -6.503 1.00 0.00 S ATOM 371 CE MET A 27 -19.910 10.647 -6.673 1.00 0.00 C ATOM 0 H MET A 27 -16.349 10.574 -1.955 1.00 0.00 H new ATOM 0 HA MET A 27 -16.951 9.034 -4.372 1.00 0.00 H new ATOM 0 HB2 MET A 27 -16.215 11.851 -3.675 1.00 0.00 H new ATOM 0 HB3 MET A 27 -15.680 11.260 -5.236 1.00 0.00 H new ATOM 0 HG2 MET A 27 -18.558 11.161 -4.269 1.00 0.00 H new ATOM 0 HG3 MET A 27 -17.898 12.441 -5.267 1.00 0.00 H new ATOM 0 HE1 MET A 27 -20.308 9.931 -7.393 1.00 0.00 H new ATOM 0 HE2 MET A 27 -20.392 10.497 -5.707 1.00 0.00 H new ATOM 0 HE3 MET A 27 -20.106 11.661 -7.023 1.00 0.00 H new ATOM 381 N CYS A 28 -14.707 8.139 -4.856 1.00 0.00 N ATOM 382 CA CYS A 28 -13.400 7.562 -5.145 1.00 0.00 C ATOM 383 C CYS A 28 -12.455 8.616 -5.714 1.00 0.00 C ATOM 384 O CYS A 28 -12.815 9.361 -6.624 1.00 0.00 O ATOM 385 CB CYS A 28 -13.539 6.400 -6.131 1.00 0.00 C ATOM 386 SG CYS A 28 -12.157 5.214 -6.081 1.00 0.00 S ATOM 0 H CYS A 28 -15.489 7.649 -5.291 1.00 0.00 H new ATOM 0 HA CYS A 28 -12.980 7.189 -4.211 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.467 5.869 -5.922 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -13.622 6.802 -7.141 1.00 0.00 H new ATOM 391 N ALA A 29 -11.243 8.671 -5.171 1.00 0.00 N ATOM 392 CA ALA A 29 -10.245 9.631 -5.625 1.00 0.00 C ATOM 393 C ALA A 29 -9.508 9.116 -6.857 1.00 0.00 C ATOM 394 O ALA A 29 -8.439 9.615 -7.207 1.00 0.00 O ATOM 395 CB ALA A 29 -9.259 9.936 -4.507 1.00 0.00 C ATOM 0 H ALA A 29 -10.929 8.062 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.761 10.551 -5.901 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.519 10.654 -4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.794 10.355 -3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.757 9.017 -4.204 1.00 0.00 H new ATOM 401 N HIS A 30 -10.087 8.113 -7.510 1.00 0.00 N ATOM 402 CA HIS A 30 -9.484 7.529 -8.704 1.00 0.00 C ATOM 403 C HIS A 30 -10.448 7.593 -9.885 1.00 0.00 C ATOM 404 O HIS A 30 -10.078 8.021 -10.979 1.00 0.00 O ATOM 405 CB HIS A 30 -9.079 6.079 -8.439 1.00 0.00 C ATOM 406 CG HIS A 30 -8.774 5.306 -9.685 1.00 0.00 C ATOM 407 ND1 HIS A 30 -9.590 4.635 -10.532 1.00 0.00 N flip ATOM 408 CD2 HIS A 30 -7.498 5.156 -10.185 1.00 0.00 C flip ATOM 409 CE1 HIS A 30 -8.800 4.099 -11.519 1.00 0.00 C flip ATOM 410 NE2 HIS A 30 -7.542 4.428 -11.286 1.00 0.00 N flip ATOM 0 H HIS A 30 -10.972 7.688 -7.233 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.594 8.107 -8.952 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.203 6.068 -7.790 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.882 5.579 -7.898 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -10.603 4.545 -10.452 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.602 5.569 -9.745 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.150 3.505 -12.350 1.00 0.00 H new ATOM 419 N CYS A 31 -11.684 7.164 -9.657 1.00 0.00 N ATOM 420 CA CYS A 31 -12.701 7.170 -10.702 1.00 0.00 C ATOM 421 C CYS A 31 -13.724 8.276 -10.459 1.00 0.00 C ATOM 422 O CYS A 31 -14.492 8.632 -11.352 1.00 0.00 O ATOM 423 CB CYS A 31 -13.406 5.814 -10.765 1.00 0.00 C ATOM 424 SG CYS A 31 -14.033 5.226 -9.159 1.00 0.00 S ATOM 0 H CYS A 31 -12.006 6.807 -8.757 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.206 7.359 -11.654 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.239 5.882 -11.465 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.713 5.074 -11.165 1.00 0.00 H new ATOM 429 N ASN A 32 -13.726 8.816 -9.245 1.00 0.00 N ATOM 430 CA ASN A 32 -14.654 9.882 -8.884 1.00 0.00 C ATOM 431 C ASN A 32 -16.096 9.389 -8.937 1.00 0.00 C ATOM 432 O ASN A 32 -16.992 10.109 -9.376 1.00 0.00 O ATOM 433 CB ASN A 32 -14.477 11.079 -9.820 1.00 0.00 C ATOM 434 CG ASN A 32 -13.020 11.352 -10.141 1.00 0.00 C ATOM 435 OD1 ASN A 32 -12.121 10.894 -9.436 1.00 0.00 O ATOM 436 ND2 ASN A 32 -12.781 12.103 -11.210 1.00 0.00 N ATOM 0 H ASN A 32 -13.096 8.533 -8.494 1.00 0.00 H new ATOM 0 HA ASN A 32 -14.433 10.192 -7.863 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.022 10.896 -10.746 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.917 11.964 -9.361 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.821 12.321 -11.476 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -13.558 12.461 -11.765 1.00 0.00 H new ATOM 443 N GLN A 33 -16.312 8.156 -8.488 1.00 0.00 N ATOM 444 CA GLN A 33 -17.645 7.567 -8.485 1.00 0.00 C ATOM 445 C GLN A 33 -18.066 7.179 -7.071 1.00 0.00 C ATOM 446 O GLN A 33 -17.277 6.621 -6.309 1.00 0.00 O ATOM 447 CB GLN A 33 -17.685 6.340 -9.397 1.00 0.00 C ATOM 448 CG GLN A 33 -17.402 6.657 -10.856 1.00 0.00 C ATOM 449 CD GLN A 33 -18.659 6.989 -11.636 1.00 0.00 C ATOM 450 OE1 GLN A 33 -19.768 6.926 -11.104 1.00 0.00 O ATOM 451 NE2 GLN A 33 -18.492 7.346 -12.904 1.00 0.00 N ATOM 0 H GLN A 33 -15.581 7.546 -8.122 1.00 0.00 H new ATOM 0 HA GLN A 33 -18.345 8.313 -8.861 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.955 5.611 -9.044 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.666 5.872 -9.319 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -16.711 7.498 -10.914 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -16.906 5.804 -11.319 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -17.554 7.385 -13.304 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.301 7.582 -13.478 1.00 0.00 H new ATOM 460 N VAL A 34 -19.314 7.478 -6.727 1.00 0.00 N ATOM 461 CA VAL A 34 -19.840 7.160 -5.405 1.00 0.00 C ATOM 462 C VAL A 34 -19.628 5.688 -5.069 1.00 0.00 C ATOM 463 O VAL A 34 -19.993 4.805 -5.845 1.00 0.00 O ATOM 464 CB VAL A 34 -21.342 7.486 -5.305 1.00 0.00 C ATOM 465 CG1 VAL A 34 -22.107 6.838 -6.449 1.00 0.00 C ATOM 466 CG2 VAL A 34 -21.896 7.038 -3.961 1.00 0.00 C ATOM 0 H VAL A 34 -19.980 7.940 -7.346 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.294 7.776 -4.691 1.00 0.00 H new ATOM 0 HB VAL A 34 -21.467 8.566 -5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -23.166 7.080 -6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -21.727 7.213 -7.399 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -21.977 5.757 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -22.958 7.276 -3.908 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -21.759 5.962 -3.851 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -21.368 7.554 -3.159 1.00 0.00 H new ATOM 476 N ILE A 35 -19.035 5.432 -3.907 1.00 0.00 N ATOM 477 CA ILE A 35 -18.775 4.067 -3.467 1.00 0.00 C ATOM 478 C ILE A 35 -19.894 3.559 -2.564 1.00 0.00 C ATOM 479 O ILE A 35 -20.181 4.149 -1.522 1.00 0.00 O ATOM 480 CB ILE A 35 -17.436 3.964 -2.715 1.00 0.00 C ATOM 481 CG1 ILE A 35 -16.291 4.471 -3.594 1.00 0.00 C ATOM 482 CG2 ILE A 35 -17.181 2.528 -2.282 1.00 0.00 C ATOM 483 CD1 ILE A 35 -15.040 4.817 -2.818 1.00 0.00 C ATOM 0 H ILE A 35 -18.726 6.152 -3.254 1.00 0.00 H new ATOM 0 HA ILE A 35 -18.726 3.449 -4.364 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.489 4.589 -1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -16.049 3.710 -4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.626 5.353 -4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.230 2.471 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.984 2.198 -1.623 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.145 1.884 -3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.271 5.169 -3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.266 5.600 -2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.680 3.931 -2.294 1.00 0.00 H new ATOM 495 N ARG A 36 -20.520 2.459 -2.969 1.00 0.00 N ATOM 496 CA ARG A 36 -21.607 1.869 -2.196 1.00 0.00 C ATOM 497 C ARG A 36 -21.069 0.864 -1.182 1.00 0.00 C ATOM 498 O ARG A 36 -21.362 0.952 0.010 1.00 0.00 O ATOM 499 CB ARG A 36 -22.610 1.185 -3.126 1.00 0.00 C ATOM 500 CG ARG A 36 -23.536 2.155 -3.842 1.00 0.00 C ATOM 501 CD ARG A 36 -24.864 1.503 -4.191 1.00 0.00 C ATOM 502 NE ARG A 36 -25.582 1.052 -3.001 1.00 0.00 N ATOM 503 CZ ARG A 36 -26.900 0.892 -2.954 1.00 0.00 C ATOM 504 NH1 ARG A 36 -27.640 1.143 -4.025 1.00 0.00 N ATOM 505 NH2 ARG A 36 -27.480 0.478 -1.835 1.00 0.00 N ATOM 0 H ARG A 36 -20.293 1.958 -3.828 1.00 0.00 H new ATOM 0 HA ARG A 36 -22.112 2.670 -1.655 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -22.065 0.601 -3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -23.210 0.484 -2.546 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -23.712 3.025 -3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -23.055 2.514 -4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -25.483 2.212 -4.741 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -24.689 0.654 -4.852 1.00 0.00 H new ATOM 0 HE ARG A 36 -25.042 0.849 -2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -27.198 1.460 -4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -28.652 1.019 -3.986 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -26.914 0.282 -1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -28.492 0.356 -1.800 1.00 0.00 H new ATOM 519 N GLY A 37 -20.282 -0.093 -1.665 1.00 0.00 N ATOM 520 CA GLY A 37 -19.717 -1.102 -0.788 1.00 0.00 C ATOM 521 C GLY A 37 -18.604 -0.555 0.085 1.00 0.00 C ATOM 522 O GLY A 37 -18.494 0.652 0.303 1.00 0.00 O ATOM 0 H GLY A 37 -20.026 -0.187 -2.648 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.504 -1.510 -0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -19.332 -1.926 -1.388 1.00 0.00 H new ATOM 526 N PRO A 38 -17.755 -1.455 0.601 1.00 0.00 N ATOM 527 CA PRO A 38 -16.631 -1.079 1.464 1.00 0.00 C ATOM 528 C PRO A 38 -15.537 -0.340 0.702 1.00 0.00 C ATOM 529 O PRO A 38 -15.129 -0.760 -0.381 1.00 0.00 O ATOM 530 CB PRO A 38 -16.111 -2.425 1.975 1.00 0.00 C ATOM 531 CG PRO A 38 -16.520 -3.409 0.935 1.00 0.00 C ATOM 532 CD PRO A 38 -17.827 -2.910 0.383 1.00 0.00 C ATOM 0 HA PRO A 38 -16.936 -0.396 2.256 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.028 -2.409 2.101 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.541 -2.673 2.945 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.767 -3.482 0.150 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.632 -4.405 1.363 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.936 -3.153 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.678 -3.353 0.901 1.00 0.00 H new ATOM 540 N PHE A 39 -15.066 0.764 1.273 1.00 0.00 N ATOM 541 CA PHE A 39 -14.019 1.562 0.647 1.00 0.00 C ATOM 542 C PHE A 39 -12.829 1.732 1.586 1.00 0.00 C ATOM 543 O PHE A 39 -12.888 1.352 2.756 1.00 0.00 O ATOM 544 CB PHE A 39 -14.566 2.934 0.245 1.00 0.00 C ATOM 545 CG PHE A 39 -14.907 3.810 1.416 1.00 0.00 C ATOM 546 CD1 PHE A 39 -13.907 4.413 2.161 1.00 0.00 C ATOM 547 CD2 PHE A 39 -16.228 4.029 1.773 1.00 0.00 C ATOM 548 CE1 PHE A 39 -14.218 5.220 3.240 1.00 0.00 C ATOM 549 CE2 PHE A 39 -16.545 4.835 2.850 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.538 5.430 3.585 1.00 0.00 C ATOM 0 H PHE A 39 -15.393 1.126 2.169 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.682 1.036 -0.246 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.829 3.442 -0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.457 2.796 -0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.873 4.251 1.896 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -17.019 3.564 1.203 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.429 5.685 3.812 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.579 4.999 3.117 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.783 6.059 4.428 1.00 0.00 H new ATOM 560 N LEU A 40 -11.749 2.304 1.065 1.00 0.00 N ATOM 561 CA LEU A 40 -10.543 2.524 1.856 1.00 0.00 C ATOM 562 C LEU A 40 -10.269 4.015 2.027 1.00 0.00 C ATOM 563 O LEU A 40 -10.533 4.813 1.127 1.00 0.00 O ATOM 564 CB LEU A 40 -9.343 1.845 1.193 1.00 0.00 C ATOM 565 CG LEU A 40 -9.574 0.422 0.685 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.393 -0.044 -0.152 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.813 -0.528 1.849 1.00 0.00 C ATOM 0 H LEU A 40 -11.684 2.624 0.099 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.700 2.087 2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.020 2.461 0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.521 1.825 1.909 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.463 0.422 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.575 -1.059 -0.505 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.268 0.621 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.488 -0.028 0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.976 -1.536 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.943 -0.524 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.692 -0.205 2.408 1.00 0.00 H new ATOM 579 N VAL A 41 -9.734 4.384 3.186 1.00 0.00 N ATOM 580 CA VAL A 41 -9.420 5.779 3.474 1.00 0.00 C ATOM 581 C VAL A 41 -8.027 5.915 4.078 1.00 0.00 C ATOM 582 O VAL A 41 -7.768 5.435 5.182 1.00 0.00 O ATOM 583 CB VAL A 41 -10.449 6.399 4.438 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.657 5.500 5.647 1.00 0.00 C ATOM 585 CG2 VAL A 41 -10.006 7.789 4.867 1.00 0.00 C ATOM 0 H VAL A 41 -9.509 3.737 3.941 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.455 6.314 2.525 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.401 6.491 3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.387 5.954 6.317 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.022 4.527 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.711 5.374 6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.745 8.212 5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.042 7.724 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.913 8.428 3.989 1.00 0.00 H new ATOM 595 N ALA A 42 -7.132 6.573 3.348 1.00 0.00 N ATOM 596 CA ALA A 42 -5.766 6.774 3.813 1.00 0.00 C ATOM 597 C ALA A 42 -5.352 8.236 3.682 1.00 0.00 C ATOM 598 O ALA A 42 -5.128 8.921 4.681 1.00 0.00 O ATOM 599 CB ALA A 42 -4.808 5.881 3.039 1.00 0.00 C ATOM 0 H ALA A 42 -7.329 6.976 2.432 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.724 6.504 4.868 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.791 6.042 3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.084 4.837 3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.862 6.124 1.978 1.00 0.00 H new ATOM 605 N LEU A 43 -5.250 8.709 2.444 1.00 0.00 N ATOM 606 CA LEU A 43 -4.862 10.090 2.182 1.00 0.00 C ATOM 607 C LEU A 43 -6.051 11.031 2.347 1.00 0.00 C ATOM 608 O LEU A 43 -6.226 11.969 1.571 1.00 0.00 O ATOM 609 CB LEU A 43 -4.286 10.220 0.771 1.00 0.00 C ATOM 610 CG LEU A 43 -2.850 9.728 0.585 1.00 0.00 C ATOM 611 CD1 LEU A 43 -1.891 10.544 1.437 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.744 8.249 0.927 1.00 0.00 C ATOM 0 H LEU A 43 -5.431 8.156 1.606 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.098 10.370 2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.929 9.669 0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.331 11.269 0.477 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.575 9.859 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.874 10.179 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.946 11.592 1.144 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.164 10.446 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.715 7.916 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.039 8.093 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.401 7.676 0.273 1.00 0.00 H new ATOM 624 N GLY A 44 -6.866 10.774 3.366 1.00 0.00 N ATOM 625 CA GLY A 44 -8.027 11.607 3.615 1.00 0.00 C ATOM 626 C GLY A 44 -9.187 11.275 2.697 1.00 0.00 C ATOM 627 O GLY A 44 -10.346 11.303 3.113 1.00 0.00 O ATOM 0 H GLY A 44 -6.742 10.004 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.342 11.486 4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.753 12.654 3.486 1.00 0.00 H new ATOM 631 N LYS A 45 -8.877 10.962 1.444 1.00 0.00 N ATOM 632 CA LYS A 45 -9.901 10.623 0.463 1.00 0.00 C ATOM 633 C LYS A 45 -10.210 9.130 0.493 1.00 0.00 C ATOM 634 O LYS A 45 -9.529 8.359 1.167 1.00 0.00 O ATOM 635 CB LYS A 45 -9.449 11.034 -0.940 1.00 0.00 C ATOM 636 CG LYS A 45 -9.387 12.538 -1.143 1.00 0.00 C ATOM 637 CD LYS A 45 -8.774 12.894 -2.487 1.00 0.00 C ATOM 638 CE LYS A 45 -9.137 14.310 -2.907 1.00 0.00 C ATOM 639 NZ LYS A 45 -10.595 14.453 -3.176 1.00 0.00 N ATOM 0 H LYS A 45 -7.923 10.936 1.083 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.809 11.169 0.719 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.464 10.609 -1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.132 10.605 -1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.391 12.957 -1.078 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.801 12.990 -0.343 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.690 12.797 -2.431 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.119 12.189 -3.244 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.842 15.008 -2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.575 14.579 -3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.755 15.273 -3.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.948 13.593 -3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.102 14.593 -2.278 1.00 0.00 H new ATOM 653 N SER A 46 -11.241 8.729 -0.244 1.00 0.00 N ATOM 654 CA SER A 46 -11.642 7.328 -0.301 1.00 0.00 C ATOM 655 C SER A 46 -11.164 6.678 -1.596 1.00 0.00 C ATOM 656 O SER A 46 -11.136 7.315 -2.649 1.00 0.00 O ATOM 657 CB SER A 46 -13.163 7.206 -0.186 1.00 0.00 C ATOM 658 OG SER A 46 -13.794 7.519 -1.415 1.00 0.00 O ATOM 0 H SER A 46 -11.814 9.355 -0.810 1.00 0.00 H new ATOM 0 HA SER A 46 -11.179 6.808 0.538 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.428 6.192 0.115 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.527 7.875 0.594 1.00 0.00 H new ATOM 0 HG SER A 46 -13.498 8.402 -1.719 1.00 0.00 H new ATOM 664 N TRP A 47 -10.790 5.407 -1.509 1.00 0.00 N ATOM 665 CA TRP A 47 -10.313 4.670 -2.674 1.00 0.00 C ATOM 666 C TRP A 47 -10.888 3.258 -2.697 1.00 0.00 C ATOM 667 O TRP A 47 -11.046 2.624 -1.653 1.00 0.00 O ATOM 668 CB TRP A 47 -8.785 4.611 -2.675 1.00 0.00 C ATOM 669 CG TRP A 47 -8.140 5.912 -2.303 1.00 0.00 C ATOM 670 CD1 TRP A 47 -8.085 6.474 -1.059 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.460 6.814 -3.183 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.412 7.670 -1.113 1.00 0.00 N ATOM 673 CE2 TRP A 47 -7.018 7.901 -2.404 1.00 0.00 C ATOM 674 CE3 TRP A 47 -7.179 6.808 -4.552 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -6.313 8.970 -2.951 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -6.480 7.869 -5.093 1.00 0.00 C ATOM 677 CH2 TRP A 47 -6.052 8.938 -4.294 1.00 0.00 C ATOM 0 H TRP A 47 -10.808 4.865 -0.645 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.650 5.195 -3.568 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.458 3.839 -1.978 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.441 4.313 -3.665 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.508 6.041 -0.165 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.234 8.286 -0.320 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.503 5.988 -5.176 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.984 9.795 -2.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.259 7.875 -6.150 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.506 9.752 -4.747 1.00 0.00 H new ATOM 688 N HIS A 48 -11.200 2.771 -3.894 1.00 0.00 N ATOM 689 CA HIS A 48 -11.758 1.432 -4.053 1.00 0.00 C ATOM 690 C HIS A 48 -10.762 0.371 -3.594 1.00 0.00 C ATOM 691 O HIS A 48 -9.566 0.443 -3.879 1.00 0.00 O ATOM 692 CB HIS A 48 -12.146 1.188 -5.511 1.00 0.00 C ATOM 693 CG HIS A 48 -13.509 1.700 -5.862 1.00 0.00 C ATOM 694 ND1 HIS A 48 -13.747 2.534 -6.934 1.00 0.00 N ATOM 695 CD2 HIS A 48 -14.711 1.489 -5.277 1.00 0.00 C ATOM 696 CE1 HIS A 48 -15.036 2.816 -6.992 1.00 0.00 C ATOM 697 NE2 HIS A 48 -15.644 2.194 -5.998 1.00 0.00 N ATOM 0 H HIS A 48 -11.076 3.283 -4.768 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.650 1.360 -3.431 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.410 1.664 -6.159 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.105 0.118 -5.715 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.901 0.880 -4.406 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.512 3.448 -7.727 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -16.644 2.231 -5.798 1.00 0.00 H new ATOM 705 N PRO A 49 -11.264 -0.637 -2.866 1.00 0.00 N ATOM 706 CA PRO A 49 -10.435 -1.732 -2.353 1.00 0.00 C ATOM 707 C PRO A 49 -9.937 -2.652 -3.463 1.00 0.00 C ATOM 708 O PRO A 49 -9.096 -3.519 -3.231 1.00 0.00 O ATOM 709 CB PRO A 49 -11.384 -2.487 -1.419 1.00 0.00 C ATOM 710 CG PRO A 49 -12.747 -2.184 -1.938 1.00 0.00 C ATOM 711 CD PRO A 49 -12.679 -0.787 -2.489 1.00 0.00 C ATOM 0 HA PRO A 49 -9.533 -1.365 -1.862 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.184 -3.558 -1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.271 -2.155 -0.387 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.037 -2.895 -2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.491 -2.255 -1.145 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.339 -0.661 -3.347 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.977 -0.047 -1.746 1.00 0.00 H new ATOM 719 N GLU A 50 -10.462 -2.455 -4.668 1.00 0.00 N ATOM 720 CA GLU A 50 -10.069 -3.268 -5.813 1.00 0.00 C ATOM 721 C GLU A 50 -9.095 -2.510 -6.711 1.00 0.00 C ATOM 722 O GLU A 50 -8.137 -3.083 -7.227 1.00 0.00 O ATOM 723 CB GLU A 50 -11.302 -3.684 -6.618 1.00 0.00 C ATOM 724 CG GLU A 50 -12.278 -4.546 -5.834 1.00 0.00 C ATOM 725 CD GLU A 50 -13.167 -5.385 -6.731 1.00 0.00 C ATOM 726 OE1 GLU A 50 -12.623 -6.168 -7.538 1.00 0.00 O ATOM 727 OE2 GLU A 50 -14.405 -5.258 -6.628 1.00 0.00 O ATOM 0 H GLU A 50 -11.160 -1.741 -4.877 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.570 -4.161 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.818 -2.789 -6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.980 -4.230 -7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.721 -5.202 -5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.900 -3.906 -5.208 1.00 0.00 H new ATOM 734 N GLU A 51 -9.350 -1.217 -6.891 1.00 0.00 N ATOM 735 CA GLU A 51 -8.496 -0.381 -7.727 1.00 0.00 C ATOM 736 C GLU A 51 -7.240 0.041 -6.971 1.00 0.00 C ATOM 737 O GLU A 51 -6.129 -0.041 -7.496 1.00 0.00 O ATOM 738 CB GLU A 51 -9.262 0.857 -8.198 1.00 0.00 C ATOM 739 CG GLU A 51 -10.515 0.532 -8.994 1.00 0.00 C ATOM 740 CD GLU A 51 -11.186 1.770 -9.557 1.00 0.00 C ATOM 741 OE1 GLU A 51 -11.128 2.828 -8.895 1.00 0.00 O ATOM 742 OE2 GLU A 51 -11.770 1.681 -10.657 1.00 0.00 O ATOM 0 H GLU A 51 -10.139 -0.727 -6.470 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.196 -0.966 -8.596 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.538 1.455 -7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.602 1.471 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.257 -0.141 -9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.220 0.000 -8.354 1.00 0.00 H new ATOM 749 N PHE A 52 -7.424 0.494 -5.736 1.00 0.00 N ATOM 750 CA PHE A 52 -6.307 0.932 -4.907 1.00 0.00 C ATOM 751 C PHE A 52 -5.127 -0.028 -5.035 1.00 0.00 C ATOM 752 O PHE A 52 -5.076 -1.058 -4.365 1.00 0.00 O ATOM 753 CB PHE A 52 -6.740 1.034 -3.443 1.00 0.00 C ATOM 754 CG PHE A 52 -5.765 1.783 -2.580 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.292 3.027 -2.966 1.00 0.00 C ATOM 756 CD2 PHE A 52 -5.321 1.244 -1.384 1.00 0.00 C ATOM 757 CE1 PHE A 52 -4.395 3.718 -2.175 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.423 1.930 -0.588 1.00 0.00 C ATOM 759 CZ PHE A 52 -3.960 3.170 -0.984 1.00 0.00 C ATOM 0 H PHE A 52 -8.337 0.568 -5.286 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.992 1.916 -5.254 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.711 1.527 -3.393 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.872 0.030 -3.041 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.629 3.461 -3.896 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.681 0.276 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.034 4.687 -2.488 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.084 1.498 0.342 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.260 3.710 -0.364 1.00 0.00 H new ATOM 769 N ASN A 53 -4.181 0.320 -5.901 1.00 0.00 N ATOM 770 CA ASN A 53 -3.002 -0.510 -6.118 1.00 0.00 C ATOM 771 C ASN A 53 -1.731 0.334 -6.099 1.00 0.00 C ATOM 772 O ASN A 53 -1.788 1.560 -5.997 1.00 0.00 O ATOM 773 CB ASN A 53 -3.114 -1.253 -7.451 1.00 0.00 C ATOM 774 CG ASN A 53 -3.984 -2.492 -7.351 1.00 0.00 C ATOM 775 OD1 ASN A 53 -3.712 -3.393 -6.558 1.00 0.00 O ATOM 776 ND2 ASN A 53 -5.037 -2.541 -8.158 1.00 0.00 N ATOM 0 H ASN A 53 -4.208 1.170 -6.463 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.946 -1.237 -5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.527 -0.582 -8.204 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.118 -1.538 -7.790 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.659 -3.349 -8.136 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.224 -1.771 -8.800 1.00 0.00 H new ATOM 783 N CYS A 54 -0.584 -0.330 -6.199 1.00 0.00 N ATOM 784 CA CYS A 54 0.701 0.358 -6.194 1.00 0.00 C ATOM 785 C CYS A 54 0.942 1.071 -7.521 1.00 0.00 C ATOM 786 O CYS A 54 0.097 1.042 -8.415 1.00 0.00 O ATOM 787 CB CYS A 54 1.833 -0.635 -5.923 1.00 0.00 C ATOM 788 SG CYS A 54 3.270 0.090 -5.069 1.00 0.00 S ATOM 0 H CYS A 54 -0.519 -1.344 -6.285 1.00 0.00 H new ATOM 0 HA CYS A 54 0.682 1.104 -5.400 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.444 -1.458 -5.323 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.164 -1.060 -6.871 1.00 0.00 H new ATOM 793 N ALA A 55 2.101 1.710 -7.641 1.00 0.00 N ATOM 794 CA ALA A 55 2.454 2.429 -8.859 1.00 0.00 C ATOM 795 C ALA A 55 3.446 1.631 -9.699 1.00 0.00 C ATOM 796 O ALA A 55 3.455 1.728 -10.927 1.00 0.00 O ATOM 797 CB ALA A 55 3.029 3.796 -8.518 1.00 0.00 C ATOM 0 H ALA A 55 2.811 1.744 -6.910 1.00 0.00 H new ATOM 0 HA ALA A 55 1.546 2.565 -9.447 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.288 4.321 -9.437 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.289 4.375 -7.966 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.923 3.673 -7.907 1.00 0.00 H new ATOM 803 N HIS A 56 4.281 0.842 -9.030 1.00 0.00 N ATOM 804 CA HIS A 56 5.278 0.027 -9.716 1.00 0.00 C ATOM 805 C HIS A 56 4.820 -1.425 -9.812 1.00 0.00 C ATOM 806 O HIS A 56 4.653 -1.963 -10.906 1.00 0.00 O ATOM 807 CB HIS A 56 6.619 0.104 -8.986 1.00 0.00 C ATOM 808 CG HIS A 56 7.600 -0.939 -9.426 1.00 0.00 C ATOM 809 ND1 HIS A 56 8.159 -0.964 -10.686 1.00 0.00 N ATOM 810 CD2 HIS A 56 8.123 -1.998 -8.763 1.00 0.00 C ATOM 811 CE1 HIS A 56 8.982 -1.993 -10.780 1.00 0.00 C ATOM 812 NE2 HIS A 56 8.978 -2.637 -9.627 1.00 0.00 N ATOM 0 H HIS A 56 4.287 0.750 -8.014 1.00 0.00 H new ATOM 0 HA HIS A 56 5.399 0.418 -10.726 1.00 0.00 H new ATOM 0 HB2 HIS A 56 7.054 1.091 -9.145 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.447 0.001 -7.915 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.908 -2.286 -7.745 1.00 0.00 H new ATOM 0 HE1 HIS A 56 9.560 -2.262 -11.652 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.522 -3.473 -9.413 1.00 0.00 H new ATOM 821 N CYS A 57 4.618 -2.054 -8.659 1.00 0.00 N ATOM 822 CA CYS A 57 4.181 -3.444 -8.612 1.00 0.00 C ATOM 823 C CYS A 57 2.688 -3.554 -8.909 1.00 0.00 C ATOM 824 O CYS A 57 2.172 -4.644 -9.159 1.00 0.00 O ATOM 825 CB CYS A 57 4.485 -4.050 -7.240 1.00 0.00 C ATOM 826 SG CYS A 57 3.477 -3.368 -5.885 1.00 0.00 S ATOM 0 H CYS A 57 4.750 -1.623 -7.744 1.00 0.00 H new ATOM 0 HA CYS A 57 4.728 -3.997 -9.375 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.328 -5.128 -7.288 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.539 -3.891 -7.010 1.00 0.00 H new ATOM 831 N LYS A 58 1.999 -2.419 -8.880 1.00 0.00 N ATOM 832 CA LYS A 58 0.566 -2.386 -9.147 1.00 0.00 C ATOM 833 C LYS A 58 -0.148 -3.524 -8.425 1.00 0.00 C ATOM 834 O LYS A 58 -0.923 -4.265 -9.029 1.00 0.00 O ATOM 835 CB LYS A 58 0.305 -2.478 -10.652 1.00 0.00 C ATOM 836 CG LYS A 58 0.990 -1.387 -11.456 1.00 0.00 C ATOM 837 CD LYS A 58 0.100 -0.164 -11.608 1.00 0.00 C ATOM 838 CE LYS A 58 -0.845 -0.306 -12.791 1.00 0.00 C ATOM 839 NZ LYS A 58 -1.316 1.017 -13.287 1.00 0.00 N ATOM 0 H LYS A 58 2.410 -1.509 -8.674 1.00 0.00 H new ATOM 0 HA LYS A 58 0.173 -1.440 -8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.643 -3.450 -11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.769 -2.428 -10.830 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.921 -1.102 -10.965 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.254 -1.771 -12.441 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.477 -0.017 -10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.719 0.724 -11.740 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.340 -0.837 -13.598 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.703 -0.911 -12.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.958 0.877 -14.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.820 1.514 -12.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.499 1.585 -13.589 1.00 0.00 H new ATOM 853 N ASN A 59 0.117 -3.656 -7.130 1.00 0.00 N ATOM 854 CA ASN A 59 -0.502 -4.704 -6.326 1.00 0.00 C ATOM 855 C ASN A 59 -1.459 -4.107 -5.298 1.00 0.00 C ATOM 856 O ASN A 59 -1.313 -2.954 -4.892 1.00 0.00 O ATOM 857 CB ASN A 59 0.571 -5.534 -5.619 1.00 0.00 C ATOM 858 CG ASN A 59 1.219 -6.548 -6.541 1.00 0.00 C ATOM 859 OD1 ASN A 59 0.534 -7.331 -7.200 1.00 0.00 O ATOM 860 ND2 ASN A 59 2.546 -6.538 -6.592 1.00 0.00 N ATOM 0 H ASN A 59 0.756 -3.051 -6.614 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.071 -5.351 -6.993 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.337 -4.869 -5.220 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.125 -6.052 -4.770 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.038 -7.197 -7.195 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.073 -5.871 -6.028 1.00 0.00 H new ATOM 867 N THR A 60 -2.440 -4.902 -4.880 1.00 0.00 N ATOM 868 CA THR A 60 -3.422 -4.453 -3.901 1.00 0.00 C ATOM 869 C THR A 60 -2.741 -3.863 -2.671 1.00 0.00 C ATOM 870 O THR A 60 -1.970 -4.541 -1.992 1.00 0.00 O ATOM 871 CB THR A 60 -4.343 -5.606 -3.460 1.00 0.00 C ATOM 872 OG1 THR A 60 -5.273 -5.141 -2.476 1.00 0.00 O ATOM 873 CG2 THR A 60 -3.531 -6.761 -2.892 1.00 0.00 C ATOM 0 H THR A 60 -2.575 -5.860 -5.204 1.00 0.00 H new ATOM 0 HA THR A 60 -4.023 -3.683 -4.385 1.00 0.00 H new ATOM 0 HB THR A 60 -4.888 -5.961 -4.335 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.856 -5.880 -2.202 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.203 -7.563 -2.587 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.845 -7.132 -3.653 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.963 -6.416 -2.028 1.00 0.00 H new ATOM 881 N MET A 61 -3.032 -2.597 -2.389 1.00 0.00 N ATOM 882 CA MET A 61 -2.448 -1.918 -1.238 1.00 0.00 C ATOM 883 C MET A 61 -3.483 -1.734 -0.133 1.00 0.00 C ATOM 884 O MET A 61 -3.566 -0.672 0.483 1.00 0.00 O ATOM 885 CB MET A 61 -1.884 -0.558 -1.655 1.00 0.00 C ATOM 886 CG MET A 61 -0.713 -0.656 -2.620 1.00 0.00 C ATOM 887 SD MET A 61 0.407 0.752 -2.498 1.00 0.00 S ATOM 888 CE MET A 61 -0.604 2.050 -3.208 1.00 0.00 C ATOM 0 H MET A 61 -3.668 -2.021 -2.941 1.00 0.00 H new ATOM 0 HA MET A 61 -1.638 -2.538 -0.854 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.677 0.029 -2.118 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.566 -0.017 -0.764 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.160 -1.574 -2.422 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.092 -0.726 -3.639 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.066 2.522 -4.030 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.535 1.623 -3.582 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.827 2.796 -2.445 1.00 0.00 H new ATOM 898 N ALA A 62 -4.271 -2.776 0.113 1.00 0.00 N ATOM 899 CA ALA A 62 -5.299 -2.730 1.145 1.00 0.00 C ATOM 900 C ALA A 62 -4.728 -3.112 2.506 1.00 0.00 C ATOM 901 O ALA A 62 -4.788 -2.332 3.457 1.00 0.00 O ATOM 902 CB ALA A 62 -6.456 -3.648 0.780 1.00 0.00 C ATOM 0 H ALA A 62 -4.217 -3.662 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.668 -1.706 1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.216 -3.603 1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.889 -3.328 -0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.093 -4.671 0.686 1.00 0.00 H new ATOM 908 N TYR A 63 -4.174 -4.316 2.593 1.00 0.00 N ATOM 909 CA TYR A 63 -3.595 -4.803 3.840 1.00 0.00 C ATOM 910 C TYR A 63 -2.192 -4.239 4.045 1.00 0.00 C ATOM 911 O TYR A 63 -1.926 -3.550 5.031 1.00 0.00 O ATOM 912 CB TYR A 63 -3.547 -6.332 3.842 1.00 0.00 C ATOM 913 CG TYR A 63 -4.883 -6.979 3.554 1.00 0.00 C ATOM 914 CD1 TYR A 63 -5.852 -7.088 4.544 1.00 0.00 C ATOM 915 CD2 TYR A 63 -5.176 -7.484 2.293 1.00 0.00 C ATOM 916 CE1 TYR A 63 -7.073 -7.679 4.287 1.00 0.00 C ATOM 917 CE2 TYR A 63 -6.395 -8.076 2.026 1.00 0.00 C ATOM 918 CZ TYR A 63 -7.340 -8.171 3.026 1.00 0.00 C ATOM 919 OH TYR A 63 -8.556 -8.761 2.764 1.00 0.00 O ATOM 0 H TYR A 63 -4.113 -4.973 1.815 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.227 -4.465 4.661 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.823 -6.666 3.098 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.188 -6.675 4.812 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.646 -6.704 5.532 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.438 -7.412 1.508 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.815 -7.756 5.068 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.607 -8.462 1.040 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.583 -9.053 1.829 1.00 0.00 H new ATOM 929 N ILE A 64 -1.299 -4.536 3.107 1.00 0.00 N ATOM 930 CA ILE A 64 0.076 -4.058 3.184 1.00 0.00 C ATOM 931 C ILE A 64 0.122 -2.554 3.427 1.00 0.00 C ATOM 932 O ILE A 64 -0.901 -1.873 3.367 1.00 0.00 O ATOM 933 CB ILE A 64 0.857 -4.383 1.897 1.00 0.00 C ATOM 934 CG1 ILE A 64 0.156 -3.774 0.681 1.00 0.00 C ATOM 935 CG2 ILE A 64 1.003 -5.889 1.731 1.00 0.00 C ATOM 936 CD1 ILE A 64 1.012 -3.761 -0.566 1.00 0.00 C ATOM 0 H ILE A 64 -1.503 -5.105 2.285 1.00 0.00 H new ATOM 0 HA ILE A 64 0.543 -4.573 4.023 1.00 0.00 H new ATOM 0 HB ILE A 64 1.853 -3.947 1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.757 -4.335 0.479 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.143 -2.753 0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.557 -6.102 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.541 -6.299 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.015 -6.346 1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.451 -3.316 -1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.913 -3.176 -0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.289 -4.782 -0.828 1.00 0.00 H new ATOM 948 N GLY A 65 1.318 -2.040 3.700 1.00 0.00 N ATOM 949 CA GLY A 65 1.476 -0.619 3.946 1.00 0.00 C ATOM 950 C GLY A 65 1.627 0.178 2.666 1.00 0.00 C ATOM 951 O GLY A 65 1.362 -0.328 1.575 1.00 0.00 O ATOM 0 H GLY A 65 2.180 -2.583 3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.612 -0.251 4.500 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.351 -0.458 4.576 1.00 0.00 H new ATOM 955 N PHE A 66 2.054 1.430 2.797 1.00 0.00 N ATOM 956 CA PHE A 66 2.237 2.300 1.641 1.00 0.00 C ATOM 957 C PHE A 66 2.945 3.592 2.039 1.00 0.00 C ATOM 958 O PHE A 66 2.939 3.981 3.207 1.00 0.00 O ATOM 959 CB PHE A 66 0.886 2.622 0.999 1.00 0.00 C ATOM 960 CG PHE A 66 0.002 3.478 1.860 1.00 0.00 C ATOM 961 CD1 PHE A 66 -0.724 2.921 2.900 1.00 0.00 C ATOM 962 CD2 PHE A 66 -0.103 4.841 1.629 1.00 0.00 C ATOM 963 CE1 PHE A 66 -1.538 3.705 3.694 1.00 0.00 C ATOM 964 CE2 PHE A 66 -0.915 5.630 2.421 1.00 0.00 C ATOM 965 CZ PHE A 66 -1.635 5.062 3.454 1.00 0.00 C ATOM 0 H PHE A 66 2.280 1.864 3.692 1.00 0.00 H new ATOM 0 HA PHE A 66 2.859 1.774 0.917 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.056 3.129 0.049 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.368 1.690 0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.653 1.861 3.092 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.456 5.291 0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.098 3.258 4.502 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.987 6.691 2.232 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.272 5.677 4.072 1.00 0.00 H new ATOM 975 N VAL A 67 3.554 4.252 1.060 1.00 0.00 N ATOM 976 CA VAL A 67 4.266 5.501 1.307 1.00 0.00 C ATOM 977 C VAL A 67 4.014 6.507 0.189 1.00 0.00 C ATOM 978 O VAL A 67 4.254 6.220 -0.983 1.00 0.00 O ATOM 979 CB VAL A 67 5.783 5.265 1.438 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.520 6.590 1.566 1.00 0.00 C ATOM 981 CG2 VAL A 67 6.080 4.363 2.627 1.00 0.00 C ATOM 0 H VAL A 67 3.569 3.943 0.088 1.00 0.00 H new ATOM 0 HA VAL A 67 3.886 5.903 2.246 1.00 0.00 H new ATOM 0 HB VAL A 67 6.136 4.766 0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.590 6.404 1.658 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.332 7.198 0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.167 7.119 2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.156 4.206 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.714 4.833 3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.583 3.403 2.489 1.00 0.00 H new ATOM 991 N GLU A 68 3.530 7.688 0.562 1.00 0.00 N ATOM 992 CA GLU A 68 3.246 8.737 -0.410 1.00 0.00 C ATOM 993 C GLU A 68 4.494 9.568 -0.694 1.00 0.00 C ATOM 994 O GLU A 68 5.077 10.161 0.212 1.00 0.00 O ATOM 995 CB GLU A 68 2.122 9.643 0.099 1.00 0.00 C ATOM 996 CG GLU A 68 2.002 10.950 -0.666 1.00 0.00 C ATOM 997 CD GLU A 68 0.735 11.711 -0.324 1.00 0.00 C ATOM 998 OE1 GLU A 68 -0.365 11.185 -0.595 1.00 0.00 O ATOM 999 OE2 GLU A 68 0.844 12.833 0.214 1.00 0.00 O ATOM 0 H GLU A 68 3.327 7.942 1.529 1.00 0.00 H new ATOM 0 HA GLU A 68 2.928 8.261 -1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.176 9.106 0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.293 9.863 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.867 11.576 -0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.020 10.744 -1.736 1.00 0.00 H new ATOM 1006 N GLU A 69 4.897 9.604 -1.961 1.00 0.00 N ATOM 1007 CA GLU A 69 6.077 10.360 -2.365 1.00 0.00 C ATOM 1008 C GLU A 69 5.895 10.947 -3.761 1.00 0.00 C ATOM 1009 O GLU A 69 5.357 10.295 -4.657 1.00 0.00 O ATOM 1010 CB GLU A 69 7.319 9.467 -2.333 1.00 0.00 C ATOM 1011 CG GLU A 69 8.620 10.238 -2.193 1.00 0.00 C ATOM 1012 CD GLU A 69 8.956 10.560 -0.750 1.00 0.00 C ATOM 1013 OE1 GLU A 69 8.317 11.471 -0.182 1.00 0.00 O ATOM 1014 OE2 GLU A 69 9.856 9.902 -0.188 1.00 0.00 O ATOM 0 H GLU A 69 4.424 9.119 -2.724 1.00 0.00 H new ATOM 0 HA GLU A 69 6.210 11.180 -1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.231 8.766 -1.503 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.354 8.875 -3.248 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.432 9.656 -2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.551 11.165 -2.762 1.00 0.00 H new ATOM 1021 N LYS A 70 6.346 12.184 -3.940 1.00 0.00 N ATOM 1022 CA LYS A 70 6.235 12.861 -5.227 1.00 0.00 C ATOM 1023 C LYS A 70 4.950 12.459 -5.944 1.00 0.00 C ATOM 1024 O LYS A 70 4.950 12.223 -7.151 1.00 0.00 O ATOM 1025 CB LYS A 70 7.445 12.535 -6.104 1.00 0.00 C ATOM 1026 CG LYS A 70 8.694 13.315 -5.732 1.00 0.00 C ATOM 1027 CD LYS A 70 9.459 12.640 -4.606 1.00 0.00 C ATOM 1028 CE LYS A 70 10.934 13.008 -4.635 1.00 0.00 C ATOM 1029 NZ LYS A 70 11.212 14.247 -3.857 1.00 0.00 N ATOM 0 H LYS A 70 6.792 12.739 -3.209 1.00 0.00 H new ATOM 0 HA LYS A 70 6.207 13.935 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.658 11.468 -6.032 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.195 12.741 -7.145 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.339 13.409 -6.606 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.417 14.325 -5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.029 12.931 -3.647 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.351 11.559 -4.689 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.522 12.185 -4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 70 11.253 13.148 -5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.228 14.464 -3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.671 15.039 -4.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.931 14.105 -2.866 1.00 0.00 H new ATOM 1043 N GLY A 71 3.856 12.384 -5.192 1.00 0.00 N ATOM 1044 CA GLY A 71 2.580 12.011 -5.774 1.00 0.00 C ATOM 1045 C GLY A 71 2.552 10.567 -6.234 1.00 0.00 C ATOM 1046 O GLY A 71 2.207 10.280 -7.379 1.00 0.00 O ATOM 0 H GLY A 71 3.831 12.575 -4.190 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.789 12.171 -5.041 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.366 12.663 -6.621 1.00 0.00 H new ATOM 1050 N ALA A 72 2.918 9.656 -5.338 1.00 0.00 N ATOM 1051 CA ALA A 72 2.934 8.234 -5.658 1.00 0.00 C ATOM 1052 C ALA A 72 2.965 7.386 -4.391 1.00 0.00 C ATOM 1053 O ALA A 72 3.738 7.656 -3.470 1.00 0.00 O ATOM 1054 CB ALA A 72 4.125 7.905 -6.545 1.00 0.00 C ATOM 0 H ALA A 72 3.207 9.877 -4.385 1.00 0.00 H new ATOM 0 HA ALA A 72 2.017 7.999 -6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.124 6.840 -6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.058 8.477 -7.471 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.048 8.163 -6.025 1.00 0.00 H new ATOM 1060 N LEU A 73 2.122 6.361 -4.349 1.00 0.00 N ATOM 1061 CA LEU A 73 2.053 5.473 -3.193 1.00 0.00 C ATOM 1062 C LEU A 73 2.804 4.173 -3.460 1.00 0.00 C ATOM 1063 O LEU A 73 2.435 3.401 -4.344 1.00 0.00 O ATOM 1064 CB LEU A 73 0.594 5.171 -2.845 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.287 6.381 -2.535 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.746 5.965 -2.425 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.173 7.063 -1.255 1.00 0.00 C ATOM 0 H LEU A 73 1.476 6.124 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 73 2.525 5.976 -2.349 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.148 4.626 -3.677 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.578 4.505 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.194 7.093 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.358 6.839 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.071 5.524 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.856 5.233 -1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.466 7.922 -1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.111 6.359 -0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.204 7.397 -1.371 1.00 0.00 H new ATOM 1079 N TYR A 74 3.859 3.937 -2.687 1.00 0.00 N ATOM 1080 CA TYR A 74 4.663 2.730 -2.839 1.00 0.00 C ATOM 1081 C TYR A 74 4.569 1.852 -1.595 1.00 0.00 C ATOM 1082 O TYR A 74 4.834 2.304 -0.481 1.00 0.00 O ATOM 1083 CB TYR A 74 6.123 3.095 -3.110 1.00 0.00 C ATOM 1084 CG TYR A 74 6.307 4.012 -4.298 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.232 3.523 -5.597 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.558 5.368 -4.123 1.00 0.00 C ATOM 1087 CE1 TYR A 74 6.401 4.356 -6.685 1.00 0.00 C ATOM 1088 CE2 TYR A 74 6.726 6.209 -5.206 1.00 0.00 C ATOM 1089 CZ TYR A 74 6.647 5.699 -6.485 1.00 0.00 C ATOM 1090 OH TYR A 74 6.815 6.533 -7.566 1.00 0.00 O ATOM 0 H TYR A 74 4.177 4.566 -1.949 1.00 0.00 H new ATOM 0 HA TYR A 74 4.272 2.169 -3.688 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.540 3.574 -2.224 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.693 2.181 -3.276 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.038 2.473 -5.758 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.623 5.771 -3.123 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.341 3.959 -7.687 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.918 7.261 -5.052 1.00 0.00 H new ATOM 0 HH TYR A 74 6.979 7.447 -7.252 1.00 0.00 H new ATOM 1100 N CYS A 75 4.190 0.594 -1.794 1.00 0.00 N ATOM 1101 CA CYS A 75 4.060 -0.349 -0.690 1.00 0.00 C ATOM 1102 C CYS A 75 5.396 -0.538 0.024 1.00 0.00 C ATOM 1103 O CYS A 75 6.458 -0.387 -0.578 1.00 0.00 O ATOM 1104 CB CYS A 75 3.547 -1.697 -1.201 1.00 0.00 C ATOM 1105 SG CYS A 75 4.669 -2.522 -2.376 1.00 0.00 S ATOM 0 H CYS A 75 3.968 0.204 -2.710 1.00 0.00 H new ATOM 0 HA CYS A 75 3.342 0.059 0.021 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.381 -2.357 -0.350 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.580 -1.547 -1.682 1.00 0.00 H new ATOM 1110 N GLU A 76 5.332 -0.870 1.310 1.00 0.00 N ATOM 1111 CA GLU A 76 6.536 -1.079 2.105 1.00 0.00 C ATOM 1112 C GLU A 76 7.584 -1.854 1.312 1.00 0.00 C ATOM 1113 O GLU A 76 8.780 -1.573 1.400 1.00 0.00 O ATOM 1114 CB GLU A 76 6.198 -1.829 3.395 1.00 0.00 C ATOM 1115 CG GLU A 76 5.531 -3.174 3.160 1.00 0.00 C ATOM 1116 CD GLU A 76 5.165 -3.877 4.452 1.00 0.00 C ATOM 1117 OE1 GLU A 76 4.921 -3.180 5.459 1.00 0.00 O ATOM 1118 OE2 GLU A 76 5.122 -5.125 4.456 1.00 0.00 O ATOM 0 H GLU A 76 4.460 -1.000 1.823 1.00 0.00 H new ATOM 0 HA GLU A 76 6.947 -0.102 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.113 -1.982 3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.541 -1.209 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.631 -3.030 2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.200 -3.811 2.581 1.00 0.00 H new ATOM 1125 N LEU A 77 7.127 -2.832 0.537 1.00 0.00 N ATOM 1126 CA LEU A 77 8.024 -3.649 -0.272 1.00 0.00 C ATOM 1127 C LEU A 77 8.816 -2.786 -1.249 1.00 0.00 C ATOM 1128 O LEU A 77 10.040 -2.691 -1.158 1.00 0.00 O ATOM 1129 CB LEU A 77 7.229 -4.708 -1.039 1.00 0.00 C ATOM 1130 CG LEU A 77 6.902 -5.989 -0.270 1.00 0.00 C ATOM 1131 CD1 LEU A 77 5.676 -6.668 -0.862 1.00 0.00 C ATOM 1132 CD2 LEU A 77 8.094 -6.934 -0.279 1.00 0.00 C ATOM 0 H LEU A 77 6.141 -3.078 0.452 1.00 0.00 H new ATOM 0 HA LEU A 77 8.727 -4.144 0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.293 -4.260 -1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.791 -4.978 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 77 6.681 -5.724 0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.458 -7.578 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.822 -5.993 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.868 -6.921 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.844 -7.840 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.345 -7.193 -1.308 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.948 -6.447 0.192 1.00 0.00 H new ATOM 1144 N CYS A 78 8.109 -2.156 -2.181 1.00 0.00 N ATOM 1145 CA CYS A 78 8.744 -1.298 -3.174 1.00 0.00 C ATOM 1146 C CYS A 78 9.673 -0.288 -2.506 1.00 0.00 C ATOM 1147 O CYS A 78 10.848 -0.182 -2.859 1.00 0.00 O ATOM 1148 CB CYS A 78 7.684 -0.564 -3.998 1.00 0.00 C ATOM 1149 SG CYS A 78 6.842 -1.612 -5.227 1.00 0.00 S ATOM 0 H CYS A 78 7.095 -2.224 -2.269 1.00 0.00 H new ATOM 0 HA CYS A 78 9.337 -1.929 -3.836 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.939 -0.145 -3.322 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.155 0.274 -4.512 1.00 0.00 H new ATOM 1154 N TYR A 79 9.139 0.450 -1.539 1.00 0.00 N ATOM 1155 CA TYR A 79 9.919 1.452 -0.823 1.00 0.00 C ATOM 1156 C TYR A 79 11.180 0.836 -0.225 1.00 0.00 C ATOM 1157 O TYR A 79 12.295 1.237 -0.554 1.00 0.00 O ATOM 1158 CB TYR A 79 9.076 2.090 0.283 1.00 0.00 C ATOM 1159 CG TYR A 79 9.834 3.097 1.118 1.00 0.00 C ATOM 1160 CD1 TYR A 79 10.873 2.698 1.949 1.00 0.00 C ATOM 1161 CD2 TYR A 79 9.511 4.448 1.074 1.00 0.00 C ATOM 1162 CE1 TYR A 79 11.568 3.615 2.713 1.00 0.00 C ATOM 1163 CE2 TYR A 79 10.202 5.372 1.835 1.00 0.00 C ATOM 1164 CZ TYR A 79 11.229 4.951 2.653 1.00 0.00 C ATOM 1165 OH TYR A 79 11.919 5.867 3.412 1.00 0.00 O ATOM 0 H TYR A 79 8.169 0.373 -1.233 1.00 0.00 H new ATOM 0 HA TYR A 79 10.215 2.222 -1.535 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.213 2.580 -0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.693 1.305 0.935 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.142 1.653 1.999 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.707 4.781 0.435 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.373 3.288 3.354 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.939 6.418 1.789 1.00 0.00 H new ATOM 0 HH TYR A 79 12.424 6.466 2.823 1.00 0.00 H new ATOM 1175 N GLU A 80 10.992 -0.142 0.657 1.00 0.00 N ATOM 1176 CA GLU A 80 12.114 -0.814 1.301 1.00 0.00 C ATOM 1177 C GLU A 80 13.161 -1.233 0.273 1.00 0.00 C ATOM 1178 O GLU A 80 14.346 -1.348 0.587 1.00 0.00 O ATOM 1179 CB GLU A 80 11.626 -2.039 2.078 1.00 0.00 C ATOM 1180 CG GLU A 80 12.751 -2.898 2.629 1.00 0.00 C ATOM 1181 CD GLU A 80 12.249 -4.177 3.270 1.00 0.00 C ATOM 1182 OE1 GLU A 80 11.786 -4.118 4.428 1.00 0.00 O ATOM 1183 OE2 GLU A 80 12.318 -5.236 2.612 1.00 0.00 O ATOM 0 H GLU A 80 10.075 -0.485 0.941 1.00 0.00 H new ATOM 0 HA GLU A 80 12.574 -0.112 1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.996 -1.708 2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.002 -2.648 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.441 -3.147 1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.314 -2.324 3.365 1.00 0.00 H new ATOM 1190 N LYS A 81 12.715 -1.461 -0.957 1.00 0.00 N ATOM 1191 CA LYS A 81 13.610 -1.867 -2.034 1.00 0.00 C ATOM 1192 C LYS A 81 14.384 -0.671 -2.579 1.00 0.00 C ATOM 1193 O LYS A 81 15.612 -0.629 -2.509 1.00 0.00 O ATOM 1194 CB LYS A 81 12.817 -2.532 -3.161 1.00 0.00 C ATOM 1195 CG LYS A 81 12.707 -4.040 -3.020 1.00 0.00 C ATOM 1196 CD LYS A 81 12.182 -4.683 -4.293 1.00 0.00 C ATOM 1197 CE LYS A 81 13.316 -5.120 -5.207 1.00 0.00 C ATOM 1198 NZ LYS A 81 13.773 -4.013 -6.092 1.00 0.00 N ATOM 0 H LYS A 81 11.737 -1.371 -1.233 1.00 0.00 H new ATOM 0 HA LYS A 81 14.323 -2.584 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.815 -2.104 -3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.291 -2.298 -4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.685 -4.456 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.044 -4.281 -2.189 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.566 -5.545 -4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.540 -3.977 -4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.153 -5.472 -4.604 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.987 -5.961 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.239 -4.410 -6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.954 -3.443 -6.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 14.446 -3.411 -5.576 1.00 0.00 H new ATOM 1212 N PHE A 82 13.657 0.301 -3.120 1.00 0.00 N ATOM 1213 CA PHE A 82 14.275 1.499 -3.676 1.00 0.00 C ATOM 1214 C PHE A 82 14.868 2.368 -2.571 1.00 0.00 C ATOM 1215 O PHE A 82 16.076 2.600 -2.529 1.00 0.00 O ATOM 1216 CB PHE A 82 13.249 2.303 -4.478 1.00 0.00 C ATOM 1217 CG PHE A 82 12.732 1.577 -5.688 1.00 0.00 C ATOM 1218 CD1 PHE A 82 13.467 1.551 -6.862 1.00 0.00 C ATOM 1219 CD2 PHE A 82 11.512 0.921 -5.650 1.00 0.00 C ATOM 1220 CE1 PHE A 82 12.993 0.885 -7.977 1.00 0.00 C ATOM 1221 CE2 PHE A 82 11.034 0.253 -6.761 1.00 0.00 C ATOM 1222 CZ PHE A 82 11.775 0.234 -7.926 1.00 0.00 C ATOM 0 H PHE A 82 12.639 0.282 -3.185 1.00 0.00 H new ATOM 0 HA PHE A 82 15.081 1.187 -4.340 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.410 2.556 -3.830 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.702 3.243 -4.794 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.420 2.056 -6.907 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.928 0.932 -4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.574 0.873 -8.887 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.081 -0.254 -6.718 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.404 -0.288 -8.795 1.00 0.00 H new ATOM 1232 N PHE A 83 14.008 2.848 -1.679 1.00 0.00 N ATOM 1233 CA PHE A 83 14.444 3.693 -0.574 1.00 0.00 C ATOM 1234 C PHE A 83 15.550 3.013 0.228 1.00 0.00 C ATOM 1235 O PHE A 83 16.703 3.443 0.205 1.00 0.00 O ATOM 1236 CB PHE A 83 13.264 4.023 0.342 1.00 0.00 C ATOM 1237 CG PHE A 83 12.428 5.171 -0.148 1.00 0.00 C ATOM 1238 CD1 PHE A 83 11.387 4.958 -1.038 1.00 0.00 C ATOM 1239 CD2 PHE A 83 12.683 6.463 0.282 1.00 0.00 C ATOM 1240 CE1 PHE A 83 10.616 6.012 -1.490 1.00 0.00 C ATOM 1241 CE2 PHE A 83 11.915 7.521 -0.167 1.00 0.00 C ATOM 1242 CZ PHE A 83 10.881 7.295 -1.054 1.00 0.00 C ATOM 0 H PHE A 83 13.005 2.666 -1.700 1.00 0.00 H new ATOM 0 HA PHE A 83 14.839 4.618 -0.993 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.633 3.140 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.641 4.257 1.337 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.176 3.956 -1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.491 6.646 0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.807 5.832 -2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.123 8.524 0.176 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.280 8.121 -1.406 1.00 0.00 H new ATOM 1252 N ALA A 84 15.188 1.948 0.937 1.00 0.00 N ATOM 1253 CA ALA A 84 16.148 1.206 1.744 1.00 0.00 C ATOM 1254 C ALA A 84 16.958 0.241 0.886 1.00 0.00 C ATOM 1255 O ALA A 84 16.697 -0.962 0.873 1.00 0.00 O ATOM 1256 CB ALA A 84 15.433 0.454 2.856 1.00 0.00 C ATOM 0 H ALA A 84 14.237 1.580 0.968 1.00 0.00 H new ATOM 0 HA ALA A 84 16.839 1.921 2.190 1.00 0.00 H new ATOM 0 HB1 ALA A 84 16.162 -0.096 3.451 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.905 1.163 3.494 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.718 -0.245 2.421 1.00 0.00 H new ATOM 1262 N SER A 85 17.942 0.775 0.170 1.00 0.00 N ATOM 1263 CA SER A 85 18.788 -0.039 -0.696 1.00 0.00 C ATOM 1264 C SER A 85 19.950 -0.639 0.090 1.00 0.00 C ATOM 1265 O SER A 85 20.666 0.067 0.798 1.00 0.00 O ATOM 1266 CB SER A 85 19.322 0.800 -1.858 1.00 0.00 C ATOM 1267 OG SER A 85 19.984 1.960 -1.387 1.00 0.00 O ATOM 0 H SER A 85 18.174 1.768 0.172 1.00 0.00 H new ATOM 0 HA SER A 85 18.182 -0.853 -1.094 1.00 0.00 H new ATOM 0 HB2 SER A 85 20.010 0.202 -2.456 1.00 0.00 H new ATOM 0 HB3 SER A 85 18.498 1.088 -2.512 1.00 0.00 H new ATOM 0 HG SER A 85 20.398 1.771 -0.519 1.00 0.00 H new ATOM 1273 N GLY A 86 20.131 -1.950 -0.042 1.00 0.00 N ATOM 1274 CA GLY A 86 21.207 -2.624 0.660 1.00 0.00 C ATOM 1275 C GLY A 86 20.905 -4.088 0.915 1.00 0.00 C ATOM 1276 O GLY A 86 21.580 -4.981 0.403 1.00 0.00 O ATOM 0 H GLY A 86 19.552 -2.557 -0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 86 22.125 -2.542 0.077 1.00 0.00 H new ATOM 0 HA3 GLY A 86 21.387 -2.122 1.611 1.00 0.00 H new ATOM 1280 N PRO A 87 19.870 -4.350 1.726 1.00 0.00 N ATOM 1281 CA PRO A 87 19.457 -5.715 2.067 1.00 0.00 C ATOM 1282 C PRO A 87 18.840 -6.448 0.881 1.00 0.00 C ATOM 1283 O PRO A 87 18.876 -7.676 0.811 1.00 0.00 O ATOM 1284 CB PRO A 87 18.414 -5.505 3.167 1.00 0.00 C ATOM 1285 CG PRO A 87 17.876 -4.137 2.924 1.00 0.00 C ATOM 1286 CD PRO A 87 19.021 -3.334 2.371 1.00 0.00 C ATOM 0 HA PRO A 87 20.302 -6.332 2.373 1.00 0.00 H new ATOM 0 HB2 PRO A 87 17.625 -6.256 3.113 1.00 0.00 H new ATOM 0 HB3 PRO A 87 18.862 -5.584 4.157 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.043 -4.164 2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 87 17.500 -3.696 3.847 1.00 0.00 H new ATOM 0 HD2 PRO A 87 18.679 -2.585 1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 87 19.557 -2.803 3.158 1.00 0.00 H new ATOM 1294 N SER A 88 18.275 -5.686 -0.051 1.00 0.00 N ATOM 1295 CA SER A 88 17.647 -6.264 -1.233 1.00 0.00 C ATOM 1296 C SER A 88 18.694 -6.624 -2.283 1.00 0.00 C ATOM 1297 O SER A 88 19.824 -6.137 -2.242 1.00 0.00 O ATOM 1298 CB SER A 88 16.630 -5.287 -1.825 1.00 0.00 C ATOM 1299 OG SER A 88 15.501 -5.152 -0.979 1.00 0.00 O ATOM 0 H SER A 88 18.240 -4.667 -0.010 1.00 0.00 H new ATOM 0 HA SER A 88 17.131 -7.176 -0.931 1.00 0.00 H new ATOM 0 HB2 SER A 88 17.098 -4.313 -1.970 1.00 0.00 H new ATOM 0 HB3 SER A 88 16.313 -5.638 -2.807 1.00 0.00 H new ATOM 0 HG SER A 88 15.413 -4.217 -0.698 1.00 0.00 H new ATOM 1305 N SER A 89 18.309 -7.481 -3.223 1.00 0.00 N ATOM 1306 CA SER A 89 19.215 -7.911 -4.283 1.00 0.00 C ATOM 1307 C SER A 89 19.466 -6.779 -5.275 1.00 0.00 C ATOM 1308 O SER A 89 18.533 -6.116 -5.727 1.00 0.00 O ATOM 1309 CB SER A 89 18.640 -9.126 -5.013 1.00 0.00 C ATOM 1310 OG SER A 89 19.413 -9.447 -6.156 1.00 0.00 O ATOM 0 H SER A 89 17.377 -7.891 -3.273 1.00 0.00 H new ATOM 0 HA SER A 89 20.165 -8.187 -3.825 1.00 0.00 H new ATOM 0 HB2 SER A 89 18.612 -9.981 -4.337 1.00 0.00 H new ATOM 0 HB3 SER A 89 17.612 -8.922 -5.311 1.00 0.00 H new ATOM 0 HG SER A 89 19.026 -10.228 -6.604 1.00 0.00 H new ATOM 1316 N GLY A 90 20.735 -6.564 -5.610 1.00 0.00 N ATOM 1317 CA GLY A 90 21.087 -5.513 -6.546 1.00 0.00 C ATOM 1318 C GLY A 90 20.263 -4.257 -6.344 1.00 0.00 C ATOM 1319 O GLY A 90 20.839 -3.188 -6.143 1.00 0.00 O ATOM 0 H GLY A 90 21.525 -7.099 -5.250 1.00 0.00 H new ATOM 0 HA2 GLY A 90 22.144 -5.272 -6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 90 20.947 -5.876 -7.564 1.00 0.00 H new TER 1323 GLY A 90 HETATM 1324 ZN ZN A 201 -12.581 3.850 -7.974 1.00 0.00 ZN HETATM 1325 ZN ZN A 401 4.572 -1.770 -4.570 1.00 0.00 ZN